smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@]12CC[N@@H+](Cc3cc(Br)cnc3Cl)C[C@H]1C2(Br)Br ZINC001462432186 1068072939 /nfs/dbraw/zinc/07/29/39/1068072939.db2.gz YPAXSMVVGPYMHI-PWSUYJOCSA-N 1 1 473.434 4.825 20 0 JJADMO CC(C)c1nnc(N2CCCN(c3ncccc3F)CC2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001359712600 1064261416 /nfs/dbraw/zinc/26/14/16/1064261416.db2.gz ZVSMBZAGJBRWDV-QFIPXVFZSA-N 1 1 486.039 4.609 20 0 JJADMO CC(C)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CCc1ccccc1OC(F)F ZINC001359719101 1064266802 /nfs/dbraw/zinc/26/68/02/1064266802.db2.gz BZICDNJEZVFCIP-UHFFFAOYSA-N 1 1 461.582 4.629 20 0 JJADMO CC(C)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CCCCOc1ccc(F)cc1 ZINC001359719592 1064266864 /nfs/dbraw/zinc/26/68/64/1064266864.db2.gz QKFPNXDPRYMELD-UHFFFAOYSA-N 1 1 457.619 4.784 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC=C(C(F)(F)F)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545858938 1064266917 /nfs/dbraw/zinc/26/69/17/1064266917.db2.gz ABSNSDZGTLXWRM-HDICACEKSA-N 1 1 498.638 4.652 20 0 JJADMO CC(C)c1nnc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001359723925 1064271655 /nfs/dbraw/zinc/27/16/55/1064271655.db2.gz BWZWNGIKFBNKQB-QFIPXVFZSA-N 1 1 477.600 4.845 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)C(C)(C)C2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001545865857 1064275134 /nfs/dbraw/zinc/27/51/34/1064275134.db2.gz NSSITRCMWFTSHA-OAQYLSRUSA-N 1 1 494.728 4.906 20 0 JJADMO CC(C)[C@@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001359729348 1064279829 /nfs/dbraw/zinc/27/98/29/1064279829.db2.gz XOHONGQZVZAQKU-HXUWFJFHSA-N 1 1 490.490 4.691 20 0 JJADMO CC(C)[C@@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001359729348 1064279840 /nfs/dbraw/zinc/27/98/40/1064279840.db2.gz XOHONGQZVZAQKU-HXUWFJFHSA-N 1 1 490.490 4.691 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@H]2CC)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001545868646 1064280823 /nfs/dbraw/zinc/28/08/23/1064280823.db2.gz UNDBVZULVBADEH-AJSBUHFISA-N 1 1 458.695 4.618 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1C[C@H]1CC[C@@H](C)C1 ZINC001545870145 1064282786 /nfs/dbraw/zinc/28/27/86/1064282786.db2.gz HMNHKGKWNOKNAP-GPXNEJASSA-N 1 1 480.701 4.734 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001545874384 1064290735 /nfs/dbraw/zinc/29/07/35/1064290735.db2.gz PQWNAUXHCWPFEX-SFHVURJKSA-N 1 1 486.627 4.630 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1C[C@@H]1CC[C@@H](F)C1 ZINC001545875816 1064292710 /nfs/dbraw/zinc/29/27/10/1064292710.db2.gz HLNDORMJMWKVRK-MDNUFGMLSA-N 1 1 490.712 4.816 20 0 JJADMO CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(Br)s2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001359734514 1064293785 /nfs/dbraw/zinc/29/37/85/1064293785.db2.gz VJYBVJSUBWRRMC-ROUUACIJSA-N 1 1 496.519 4.631 20 0 JJADMO CC(C)[C@H]1CCCN1c1nnc(-c2ccc(Br)s2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001359734513 1064293812 /nfs/dbraw/zinc/29/38/12/1064293812.db2.gz VJYBVJSUBWRRMC-QZTJIDSGSA-N 1 1 496.519 4.631 20 0 JJADMO CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(Br)cc2Cl)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001359734680 1064294419 /nfs/dbraw/zinc/29/44/19/1064294419.db2.gz ZORJAQCDWXZFLP-JXFKEZNVSA-N 1 1 496.881 4.707 20 0 JJADMO CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(Br)cc2Cl)n1CC[N@H+]1CCOC[C@@H]1C ZINC001359734680 1064294432 /nfs/dbraw/zinc/29/44/32/1064294432.db2.gz ZORJAQCDWXZFLP-JXFKEZNVSA-N 1 1 496.881 4.707 20 0 JJADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001545879701 1064294843 /nfs/dbraw/zinc/29/48/43/1064294843.db2.gz DKBXDXYQIBGGKN-IRLDBZIGSA-N 1 1 451.394 4.636 20 0 JJADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)CCc1cc(Br)cs1 ZINC001545880097 1064295516 /nfs/dbraw/zinc/29/55/16/1064295516.db2.gz PWJWRIBHPRSQGI-GOSISDBHSA-N 1 1 451.430 4.662 20 0 JJADMO CC(C)[C@@H]1CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1CCC[NH+]1CCOCC1 ZINC001359737634 1064299450 /nfs/dbraw/zinc/29/94/50/1064299450.db2.gz CIEGMQBNIXFUDS-FQEVSTJZSA-N 1 1 482.456 4.511 20 0 JJADMO CC(C)[C@@H]1CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001359737808 1064300408 /nfs/dbraw/zinc/30/04/08/1064300408.db2.gz GVKRVIVRMGZNHY-VWLOTQADSA-N 1 1 496.744 4.805 20 0 JJADMO CC(C)[C@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@@H+](C)C(C)C)C1 ZINC001359739005 1064304549 /nfs/dbraw/zinc/30/45/49/1064304549.db2.gz JGHLTHQLAXQHFQ-INIZCTEOSA-N 1 1 452.416 4.669 20 0 JJADMO CC(C)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001359739324 1064307349 /nfs/dbraw/zinc/30/73/49/1064307349.db2.gz PZWNEVKMVBIUQF-HSZRJFAPSA-N 1 1 460.066 4.708 20 0 JJADMO CC(C)[C@@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001359744306 1064315791 /nfs/dbraw/zinc/31/57/91/1064315791.db2.gz DLKIMQXSNBXHPK-QZTJIDSGSA-N 1 1 476.463 4.585 20 0 JJADMO CC(C)[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC[N@H+]2CCC[C@@H]2C)CCS1 ZINC001359748410 1064334220 /nfs/dbraw/zinc/33/42/20/1064334220.db2.gz VDOPZTNDNOKIEN-PXNSSMCTSA-N 1 1 478.504 4.770 20 0 JJADMO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NC(=O)Cc1nc(C)c(C)s1)CC2 ZINC001434912007 1064338303 /nfs/dbraw/zinc/33/83/03/1064338303.db2.gz INCUGFQWPOQLMA-UHFFFAOYSA-N 1 1 451.592 4.517 20 0 JJADMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1NC(=O)Cc1nc(C)c(C)s1)CC2 ZINC001434912007 1064338309 /nfs/dbraw/zinc/33/83/09/1064338309.db2.gz INCUGFQWPOQLMA-UHFFFAOYSA-N 1 1 451.592 4.517 20 0 JJADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2cccc(C(=O)N3CCSCC3)c2)c1 ZINC001434915625 1064342761 /nfs/dbraw/zinc/34/27/61/1064342761.db2.gz LWTICLQKPSDVHZ-UHFFFAOYSA-N 1 1 459.615 4.760 20 0 JJADMO COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001434920474 1064347720 /nfs/dbraw/zinc/34/77/20/1064347720.db2.gz KBFAYTBAITVRRA-NEKDWFFYSA-N 1 1 458.602 4.556 20 0 JJADMO COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001434920474 1064347731 /nfs/dbraw/zinc/34/77/31/1064347731.db2.gz KBFAYTBAITVRRA-NEKDWFFYSA-N 1 1 458.602 4.556 20 0 JJADMO CC(C)[C@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001359759735 1064365724 /nfs/dbraw/zinc/36/57/24/1064365724.db2.gz LDRUGUTUCYDRRC-AZGAKELHSA-N 1 1 467.702 4.825 20 0 JJADMO CCOc1ccccc1-c1cccc(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC001434981539 1064397821 /nfs/dbraw/zinc/39/78/21/1064397821.db2.gz GOPIVNAUISVIPX-HSZRJFAPSA-N 1 1 457.574 4.702 20 0 JJADMO Cc1nn(-c2ccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)c(Cl)c3)cc2)c(C)c1Cl ZINC001434994710 1064409980 /nfs/dbraw/zinc/40/99/80/1064409980.db2.gz CZUUMTFHWLNDFW-UHFFFAOYSA-N 1 1 458.393 4.800 20 0 JJADMO C[NH+]1CCN(c2ccc(NC(=O)C3(C(=O)OC(C)(C)C)CCCCCC3)cc2Cl)CC1 ZINC001434996026 1064411044 /nfs/dbraw/zinc/41/10/44/1064411044.db2.gz MKWNYVGBXOIGRR-UHFFFAOYSA-N 1 1 450.023 4.713 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(N2CCN(C)CC2)c(Cl)c1 ZINC001434997810 1064412987 /nfs/dbraw/zinc/41/29/87/1064412987.db2.gz SVFIACNGFIXQCM-FYYLOGMGSA-N 1 1 455.046 4.579 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1Cc1cccc(Br)n1 ZINC001359777375 1064421347 /nfs/dbraw/zinc/42/13/47/1064421347.db2.gz IREUAOTXQICNDO-JOCHJYFZSA-N 1 1 497.485 4.783 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1CCOc1ncccc1F ZINC001359777745 1064422133 /nfs/dbraw/zinc/42/21/33/1064422133.db2.gz QIOTXYGULKFDOB-JTHBVZDNSA-N 1 1 480.632 4.579 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CCC[C@H]1CCCCO1 ZINC001359777828 1064422228 /nfs/dbraw/zinc/42/22/28/1064422228.db2.gz RUWGVSJBOXEJSY-LOSJGSFVSA-N 1 1 453.675 4.927 20 0 JJADMO CC(C)Cc1nnc(N(C)Cc2nccs2)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001359782323 1064434363 /nfs/dbraw/zinc/43/43/63/1064434363.db2.gz PNYUSVPEJKSQKG-IRLDBZIGSA-N 1 1 452.672 4.870 20 0 JJADMO CC(C)Cc1nnc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001359784102 1064437083 /nfs/dbraw/zinc/43/70/83/1064437083.db2.gz RIONPKNHVQDZMK-WEWMWRJBSA-N 1 1 467.702 4.886 20 0 JJADMO CC(C)Cc1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1CCSc1ccccc1 ZINC001359785827 1064439878 /nfs/dbraw/zinc/43/98/78/1064439878.db2.gz AZDCVYLVBQYAEW-SQJMNOBHSA-N 1 1 481.714 4.522 20 0 JJADMO CC(C)Cc1nnc(N2Cc3cc(Br)ccc3[C@@H](C)C2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001359793086 1064451020 /nfs/dbraw/zinc/45/10/20/1064451020.db2.gz RBNDIZOBYMIUPY-DLBZAZTESA-N 1 1 460.464 4.846 20 0 JJADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)C3(Cc4ccc(Cl)cc4)CC3)CC2)c1C ZINC001359795788 1064454540 /nfs/dbraw/zinc/45/45/40/1064454540.db2.gz OFPZCCBQZDMYBI-UHFFFAOYSA-N 1 1 456.030 4.806 20 0 JJADMO CC(C)Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001359798479 1064462270 /nfs/dbraw/zinc/46/22/70/1064462270.db2.gz JQDSTYNHMIALFK-OAHLLOKOSA-N 1 1 455.491 4.530 20 0 JJADMO CC(C)Cc1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001359798904 1064464032 /nfs/dbraw/zinc/46/40/32/1064464032.db2.gz SQINWWUGDTXSBJ-XMMPIXPASA-N 1 1 481.607 4.528 20 0 JJADMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1cnc(Br)c(Cl)c1 ZINC001435047806 1064464758 /nfs/dbraw/zinc/46/47/58/1064464758.db2.gz TYKWWFSHEYBTRY-INIZCTEOSA-N 1 1 457.199 4.935 20 0 JJADMO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1cnc(Br)c(Cl)c1 ZINC001435047806 1064464763 /nfs/dbraw/zinc/46/47/63/1064464763.db2.gz TYKWWFSHEYBTRY-INIZCTEOSA-N 1 1 457.199 4.935 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@H](c3ccccc3)[C@H]2C)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359802883 1064471536 /nfs/dbraw/zinc/47/15/36/1064471536.db2.gz XLKVKTIIQJZMJM-GBAAUQCPSA-N 1 1 453.675 4.747 20 0 JJADMO CC(C)Cc1nnc(N2CCC(Cn3cccn3)CC2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001359807647 1064478201 /nfs/dbraw/zinc/47/82/01/1064478201.db2.gz AJZJYPIMYIDRTR-QHCPKHFHSA-N 1 1 470.065 4.546 20 0 JJADMO CC(C)Cc1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CCc1ccc(F)c(F)c1F ZINC001359807850 1064478995 /nfs/dbraw/zinc/47/89/95/1064478995.db2.gz DCKWVTZZISQNSU-UHFFFAOYSA-N 1 1 451.581 4.693 20 0 JJADMO CC(C)Cc1nnc(N2CCC(NC(=O)c3ccsc3)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001359814527 1064491878 /nfs/dbraw/zinc/49/18/78/1064491878.db2.gz JDIQOYTUVVOKMF-OAQYLSRUSA-N 1 1 486.730 4.592 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001359815645 1064497021 /nfs/dbraw/zinc/49/70/21/1064497021.db2.gz QWVOTIBVCPOZPK-MHZLTWQESA-N 1 1 488.120 4.969 20 0 JJADMO CCc1c(Br)cc(C(=O)Nc2c[nH+]ccc2-n2cccn2)cc1Br ZINC001435084434 1064505434 /nfs/dbraw/zinc/50/54/34/1064505434.db2.gz LFZBVJNGIZDPQS-UHFFFAOYSA-N 1 1 450.134 4.607 20 0 JJADMO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC001435089179 1064507674 /nfs/dbraw/zinc/50/76/74/1064507674.db2.gz BPYFCCVIYXFBEB-GOSISDBHSA-N 1 1 452.986 4.717 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359831745 1064514967 /nfs/dbraw/zinc/51/49/67/1064514967.db2.gz BBUKFELSLXCGJC-ZRBLBEILSA-N 1 1 488.765 4.612 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001359832848 1064517438 /nfs/dbraw/zinc/51/74/38/1064517438.db2.gz POFUBGOJHYHGHJ-GOTSBHOMSA-N 1 1 490.737 4.824 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001359834994 1064521936 /nfs/dbraw/zinc/52/19/36/1064521936.db2.gz PQRANFCRMSNMEX-DHLKQENFSA-N 1 1 483.701 4.530 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001359834994 1064521948 /nfs/dbraw/zinc/52/19/48/1064521948.db2.gz PQRANFCRMSNMEX-DHLKQENFSA-N 1 1 483.701 4.530 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001359835373 1064522666 /nfs/dbraw/zinc/52/26/66/1064522666.db2.gz VZOAKVWRDBQTIE-JTHBVZDNSA-N 1 1 488.721 4.767 20 0 JJADMO CC(C)Cc1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001359841522 1064529222 /nfs/dbraw/zinc/52/92/22/1064529222.db2.gz RGZMNRWZCOQRQC-UHFFFAOYSA-N 1 1 479.591 4.921 20 0 JJADMO COc1cc(C)c([C@@H](C)NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1OC ZINC001435123066 1064529130 /nfs/dbraw/zinc/52/91/30/1064529130.db2.gz MFXBSAFKAFYHFD-STZQEDGTSA-N 1 1 465.619 4.562 20 0 JJADMO CC(C)Cc1nnc(N2CCN(c3cc(Cl)cc(C(F)(F)F)c3)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001359850527 1064536617 /nfs/dbraw/zinc/53/66/17/1064536617.db2.gz WWZHHKCNMCWGHG-GOSISDBHSA-N 1 1 499.025 4.960 20 0 JJADMO CC(C)Cc1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001359852347 1064539388 /nfs/dbraw/zinc/53/93/88/1064539388.db2.gz LTKCRDSRAXACNU-UHFFFAOYSA-N 1 1 496.103 4.740 20 0 JJADMO CN(Cc1ccccc1)Cc1cccc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c1 ZINC001359854411 1064541693 /nfs/dbraw/zinc/54/16/93/1064541693.db2.gz YECIUAXDWOQCHY-UHFFFAOYSA-N 1 1 451.561 4.801 20 0 JJADMO CC(C)Cc1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001359855457 1064543527 /nfs/dbraw/zinc/54/35/27/1064543527.db2.gz NXHRULNLFCDUNA-LJQANCHMSA-N 1 1 479.591 4.777 20 0 JJADMO CC(C)Cc1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001359860684 1064550217 /nfs/dbraw/zinc/55/02/17/1064550217.db2.gz KZGQOPPAUTXNMK-NYULUDCUSA-N 1 1 466.718 4.698 20 0 JJADMO CC(C)Cc1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001359861316 1064551412 /nfs/dbraw/zinc/55/14/12/1064551412.db2.gz RCFBIMVGLYNSFV-AOYPEHQESA-N 1 1 466.718 4.555 20 0 JJADMO CC(C)Cc1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001359861316 1064551426 /nfs/dbraw/zinc/55/14/26/1064551426.db2.gz RCFBIMVGLYNSFV-AOYPEHQESA-N 1 1 466.718 4.555 20 0 JJADMO CC(C)Cc1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1Cc1cc(Br)cs1 ZINC001359861544 1064552046 /nfs/dbraw/zinc/55/20/46/1064552046.db2.gz YUKTXEJTGDFSHG-UHFFFAOYSA-N 1 1 480.501 4.733 20 0 JJADMO CC(C)Cc1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1C[C@H](c1cccs1)[NH+](C)C ZINC001359861578 1064552986 /nfs/dbraw/zinc/55/29/86/1064552986.db2.gz ZOEDTTLRLHITLK-JTHBVZDNSA-N 1 1 466.699 4.552 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001359864219 1064554249 /nfs/dbraw/zinc/55/42/49/1064554249.db2.gz IFDMZPDRDYGSOG-IEIRFRATSA-N 1 1 459.704 4.873 20 0 JJADMO CC(C)Cc1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001359864175 1064554400 /nfs/dbraw/zinc/55/44/00/1064554400.db2.gz HOLMCBBRGOSAGZ-HSZRJFAPSA-N 1 1 482.673 4.741 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(Br)c3)C2)n1CCC[N@@H+](C)C(C)C ZINC001359865945 1064556526 /nfs/dbraw/zinc/55/65/26/1064556526.db2.gz KYFSUGKLSIMHCL-OAQYLSRUSA-N 1 1 478.479 4.547 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@H](c3cccc(F)c3)C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001359866501 1064557446 /nfs/dbraw/zinc/55/74/46/1064557446.db2.gz SQIALRKTAOFJHF-URXFXBBRSA-N 1 1 457.638 4.562 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@H](c3cccc(F)c3)C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001359866500 1064557707 /nfs/dbraw/zinc/55/77/07/1064557707.db2.gz SQIALRKTAOFJHF-QPPBQGQZSA-N 1 1 457.638 4.562 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001359866749 1064558770 /nfs/dbraw/zinc/55/87/70/1064558770.db2.gz YSKGBQNTZBVLRJ-QHCPKHFHSA-N 1 1 460.066 4.972 20 0 JJADMO CC(C)C[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001359879077 1064570857 /nfs/dbraw/zinc/57/08/57/1064570857.db2.gz OYKKQSJDLNPTJW-DPZBCOQUSA-N 1 1 475.722 4.559 20 0 JJADMO CC(C)C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001359879309 1064571824 /nfs/dbraw/zinc/57/18/24/1064571824.db2.gz SWDCXFZONADIPN-SFHVURJKSA-N 1 1 477.495 4.793 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC001435186177 1064575576 /nfs/dbraw/zinc/57/55/76/1064575576.db2.gz ULVCBWDJAMZMEZ-MRXNPFEDSA-N 1 1 457.361 4.922 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC001435186177 1064575588 /nfs/dbraw/zinc/57/55/88/1064575588.db2.gz ULVCBWDJAMZMEZ-MRXNPFEDSA-N 1 1 457.361 4.922 20 0 JJADMO CCCCN(CC)c1ccc(C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@@H+](C)C3)cc2)cc1 ZINC001435189892 1064579790 /nfs/dbraw/zinc/57/97/90/1064579790.db2.gz VFRREDGJUWKXQP-RUZDIDTESA-N 1 1 450.627 4.732 20 0 JJADMO Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001435195244 1064583801 /nfs/dbraw/zinc/58/38/01/1064583801.db2.gz OPZCFFKTHDUQSE-QHCPKHFHSA-N 1 1 451.014 4.774 20 0 JJADMO CC(C)C[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001359887822 1064584439 /nfs/dbraw/zinc/58/44/39/1064584439.db2.gz YKRMQILBKYNRAA-GSPCLOLRSA-N 1 1 488.721 4.653 20 0 JJADMO CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001359888602 1064586001 /nfs/dbraw/zinc/58/60/01/1064586001.db2.gz GMNDBXISCBKCHJ-MUAVYFROSA-N 1 1 497.728 4.588 20 0 JJADMO CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001359889212 1064587507 /nfs/dbraw/zinc/58/75/07/1064587507.db2.gz MWFOUJMNAOPZGV-XMMPIXPASA-N 1 1 492.506 4.815 20 0 JJADMO CC(C)CC[C@](C)(O)Cn1c(-c2ccccc2Br)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001359891673 1064592692 /nfs/dbraw/zinc/59/26/92/1064592692.db2.gz VYDMRSMGINVMBG-GLDPYIMESA-N 1 1 490.490 4.568 20 0 JJADMO CC(C)CCCn1c(-c2ccccc2F)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001359904812 1064619562 /nfs/dbraw/zinc/61/95/62/1064619562.db2.gz ZCHUYBZPMFXYMN-UHFFFAOYSA-N 1 1 456.654 4.515 20 0 JJADMO CC(C)CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001359907614 1064623805 /nfs/dbraw/zinc/62/38/05/1064623805.db2.gz IYNMDCGPDHSDJZ-QFIPXVFZSA-N 1 1 474.694 4.503 20 0 JJADMO CC(C)CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001359914271 1064633824 /nfs/dbraw/zinc/63/38/24/1064633824.db2.gz DXRKZVKMTZXCJT-QZTJIDSGSA-N 1 1 465.484 4.649 20 0 JJADMO CC[C@H](C)c1ccccc1N1C[C@H](C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1=O ZINC001435260256 1064636473 /nfs/dbraw/zinc/63/64/73/1064636473.db2.gz HXASZXIGOSJSLL-TXNPELCJSA-N 1 1 453.652 4.814 20 0 JJADMO C[N@H+]1CCC[C@H](CNC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)[C@@H]1c1cccs1 ZINC001435260955 1064637632 /nfs/dbraw/zinc/63/76/32/1064637632.db2.gz LQUNHEKSWQXTSW-NVXWUHKLSA-N 1 1 450.486 4.630 20 0 JJADMO CC(C)CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001359917723 1064639923 /nfs/dbraw/zinc/63/99/23/1064639923.db2.gz LWXGLNYZVJRLNW-JOCHJYFZSA-N 1 1 493.700 4.839 20 0 JJADMO CC(C)CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001359918091 1064639980 /nfs/dbraw/zinc/63/99/80/1064639980.db2.gz YXDCZRFPHURKQO-NRFANRHFSA-N 1 1 466.630 4.583 20 0 JJADMO CC(C)CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CC[N@@H+](C)C1CCCC1 ZINC001359918078 1064640008 /nfs/dbraw/zinc/64/00/08/1064640008.db2.gz YQPYQVVBFGOPHV-UHFFFAOYSA-N 1 1 479.673 4.593 20 0 JJADMO CC(C)CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001359918486 1064641704 /nfs/dbraw/zinc/64/17/04/1064641704.db2.gz IWWSXXSHUYGFSX-GOTSBHOMSA-N 1 1 490.737 4.995 20 0 JJADMO CC(C)CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001359921547 1064647814 /nfs/dbraw/zinc/64/78/14/1064647814.db2.gz LRLMCAODKHYPJJ-BDTNDASRSA-N 1 1 476.710 4.953 20 0 JJADMO CC(C)CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001359921558 1064648580 /nfs/dbraw/zinc/64/85/80/1064648580.db2.gz LZEWSPQXSOKUNI-OYRHEFFESA-N 1 1 476.710 4.653 20 0 JJADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(c2ccc(OC)c(OC)c2)CCCC1 ZINC001435274552 1064653111 /nfs/dbraw/zinc/65/31/11/1064653111.db2.gz TVLFJFJUGISUHN-QHCPKHFHSA-N 1 1 450.623 4.886 20 0 JJADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(c2ccc(OC)c(OC)c2)CCCC1 ZINC001435274549 1064653283 /nfs/dbraw/zinc/65/32/83/1064653283.db2.gz TVLFJFJUGISUHN-HSZRJFAPSA-N 1 1 450.623 4.886 20 0 JJADMO CN1CCCN(C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c2cc(Cl)ccc21 ZINC001435300481 1064675990 /nfs/dbraw/zinc/67/59/90/1064675990.db2.gz FIHPCSNREFLUSB-JOCHJYFZSA-N 1 1 451.920 4.968 20 0 JJADMO CC(C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001359933854 1064676237 /nfs/dbraw/zinc/67/62/37/1064676237.db2.gz ZBEWERUXJYWSDA-QFIPXVFZSA-N 1 1 486.680 4.598 20 0 JJADMO Cc1ccc(Cl)cc1OCC(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001435316717 1064689170 /nfs/dbraw/zinc/68/91/70/1064689170.db2.gz PFYKBTZUZWPWTG-LJQANCHMSA-N 1 1 454.920 4.940 20 0 JJADMO Cc1ccc(Cl)cc1OCC(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001435316716 1064689282 /nfs/dbraw/zinc/68/92/82/1064689282.db2.gz PFYKBTZUZWPWTG-IBGZPJMESA-N 1 1 454.920 4.940 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N(C)Cc3cnn(C)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001359950139 1064703799 /nfs/dbraw/zinc/70/37/99/1064703799.db2.gz FLHPRRLCUMUTIH-VWLOTQADSA-N 1 1 493.700 4.860 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC001359950686 1064706382 /nfs/dbraw/zinc/70/63/82/1064706382.db2.gz MQRVPKNJLFYFTB-NHCUHLMSSA-N 1 1 469.674 4.856 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CCC(C(C)C)CC3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC001359950865 1064707132 /nfs/dbraw/zinc/70/71/32/1064707132.db2.gz PIVCQQLICFOANH-QHCPKHFHSA-N 1 1 483.701 4.963 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CCC(C(C)C)CC3)n2CC[N@H+]2CCOC[C@@H]2C)cc1 ZINC001359950865 1064707147 /nfs/dbraw/zinc/70/71/47/1064707147.db2.gz PIVCQQLICFOANH-QHCPKHFHSA-N 1 1 483.701 4.963 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(-c2cccc(Br)c2)no1 ZINC001435339313 1064709456 /nfs/dbraw/zinc/70/94/56/1064709456.db2.gz MZNAQRXZWVGSHP-OXJNMPFZSA-N 1 1 454.368 4.745 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC2(O)CCCC2)cc1 ZINC001359951817 1064711271 /nfs/dbraw/zinc/71/12/71/1064711271.db2.gz GUVSHTUKXXTQJK-UHFFFAOYSA-N 1 1 469.674 4.596 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2CC[N@H+]2CCC[C@H]2C)cc1 ZINC001359954004 1064717938 /nfs/dbraw/zinc/71/79/38/1064717938.db2.gz AGVNCGXHPNKTFN-RCZVLFRGSA-N 1 1 469.674 4.716 20 0 JJADMO CC(C)CCOC1CCN(c2nnc(-c3cccc4cccnc43)n2CC[N@@H+](C)C(C)C)CC1 ZINC001359955257 1064723791 /nfs/dbraw/zinc/72/37/91/1064723791.db2.gz YHUXARUHEUGYKA-UHFFFAOYSA-N 1 1 464.658 4.865 20 0 JJADMO O=C(Cc1cc(Br)ccc1F)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001359957414 1064725926 /nfs/dbraw/zinc/72/59/26/1064725926.db2.gz SJPPMLMSANVGBV-IBGZPJMESA-N 1 1 453.783 4.955 20 0 JJADMO O=C(Cc1cc(Br)ccc1F)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001359957414 1064725935 /nfs/dbraw/zinc/72/59/35/1064725935.db2.gz SJPPMLMSANVGBV-IBGZPJMESA-N 1 1 453.783 4.955 20 0 JJADMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC001435386910 1064734329 /nfs/dbraw/zinc/73/43/29/1064734329.db2.gz OGWNCNAVNWMXFJ-LAUBAEHRSA-N 1 1 456.512 4.982 20 0 JJADMO CC(C)CCOCCn1c(-c2ccccc2Cl)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001359965366 1064740995 /nfs/dbraw/zinc/74/09/95/1064740995.db2.gz ZBAZQUVXHOCEQN-FQEVSTJZSA-N 1 1 460.066 4.972 20 0 JJADMO Cc1ccccc1-c1cc(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)c2cnn(C(C)C)c2n1 ZINC001435418162 1064747583 /nfs/dbraw/zinc/74/75/83/1064747583.db2.gz YQDJJNOVOFNGGL-UHFFFAOYSA-N 1 1 459.569 4.989 20 0 JJADMO Cc1ccc2nc(COc3ccccc3C(=O)NCC[C@H](C)[N@@H+](C)Cc3ccccc3)cn2c1 ZINC001435426177 1064750968 /nfs/dbraw/zinc/75/09/68/1064750968.db2.gz YVDHLIZSNSHBSH-QFIPXVFZSA-N 1 1 456.590 4.862 20 0 JJADMO C[C@H](CCNC(=O)C1CCN(c2noc3ccc(Cl)cc32)CC1)[N@@H+](C)Cc1ccccc1 ZINC001435426321 1064751023 /nfs/dbraw/zinc/75/10/23/1064751023.db2.gz ZUFDZHQISSDXLT-GOSISDBHSA-N 1 1 455.002 4.724 20 0 JJADMO C[C@@H](CCNC(=O)C1CCN(c2noc3ccc(Cl)cc32)CC1)[N@@H+](C)Cc1ccccc1 ZINC001435426323 1064751675 /nfs/dbraw/zinc/75/16/75/1064751675.db2.gz ZUFDZHQISSDXLT-SFHVURJKSA-N 1 1 455.002 4.724 20 0 JJADMO O=C(NCCOc1ncccc1Cl)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001435449372 1064763548 /nfs/dbraw/zinc/76/35/48/1064763548.db2.gz AUPCUSYBRNDPKT-FCHUYYIVSA-N 1 1 470.400 4.799 20 0 JJADMO CC[C@@H](NC(=O)c1cc(Cl)ccc1Br)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435454845 1064766533 /nfs/dbraw/zinc/76/65/33/1064766533.db2.gz FFNCHBNOFGNSIC-UXHICEINSA-N 1 1 451.792 4.512 20 0 JJADMO CC[C@@H](NC(=O)c1cc(Cl)ccc1Br)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435454845 1064766539 /nfs/dbraw/zinc/76/65/39/1064766539.db2.gz FFNCHBNOFGNSIC-UXHICEINSA-N 1 1 451.792 4.512 20 0 JJADMO CC[C@H](NC(=O)Cc1csc([C@H]2CC[C@H](C)CC2)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435454333 1064766756 /nfs/dbraw/zinc/76/67/56/1064766756.db2.gz CFUOQJDVEOFKIR-OHCFRWENSA-N 1 1 455.668 4.775 20 0 JJADMO CC[C@H](NC(=O)Cc1csc([C@H]2CC[C@H](C)CC2)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435454333 1064766767 /nfs/dbraw/zinc/76/67/67/1064766767.db2.gz CFUOQJDVEOFKIR-OHCFRWENSA-N 1 1 455.668 4.775 20 0 JJADMO CC[C@H](NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435456686 1064767778 /nfs/dbraw/zinc/76/77/78/1064767778.db2.gz QPNNJJKKERDQAI-SSKFGXFMSA-N 1 1 451.394 4.557 20 0 JJADMO CC[C@H](NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435456686 1064767793 /nfs/dbraw/zinc/76/77/93/1064767793.db2.gz QPNNJJKKERDQAI-SSKFGXFMSA-N 1 1 451.394 4.557 20 0 JJADMO CC(C)CN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](C(C)C)[NH+]1CCOCC1)C(C)C ZINC001359991832 1064773876 /nfs/dbraw/zinc/77/38/76/1064773876.db2.gz GWFBUFVQBKSFFD-RUZDIDTESA-N 1 1 466.674 4.578 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(C(C)C)nnc2N2CCC(O)(c3c(F)cccc3F)CC2)C1 ZINC001360007626 1064795334 /nfs/dbraw/zinc/79/53/34/1064795334.db2.gz FNBQHFJDDVQWAF-FQEVSTJZSA-N 1 1 475.628 4.536 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC(CO)CC2)C1 ZINC001360007602 1064795409 /nfs/dbraw/zinc/79/54/09/1064795409.db2.gz FEZPZGGZSVGZEB-HSZRJFAPSA-N 1 1 467.702 4.819 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(F)(F)C2)C1 ZINC001360008208 1064796619 /nfs/dbraw/zinc/79/66/19/1064796619.db2.gz MYPOLLUNFPHBSV-RTBURBONSA-N 1 1 465.564 4.771 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC(F)(F)C2)C1 ZINC001360008206 1064796784 /nfs/dbraw/zinc/79/67/84/1064796784.db2.gz MYPOLLUNFPHBSV-OALUTQOASA-N 1 1 465.564 4.771 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCCO[C@@H](C)C2)C1 ZINC001360008551 1064798305 /nfs/dbraw/zinc/79/83/05/1064798305.db2.gz SXPDOBYWJRCFCP-PMACEKPBSA-N 1 1 490.490 4.691 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)C1 ZINC001360009419 1064798777 /nfs/dbraw/zinc/79/87/77/1064798777.db2.gz BCHGIWOFVUJCPF-YTFSRNRJSA-N 1 1 461.695 4.672 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2csc(Br)c2)C1 ZINC001360010013 1064800722 /nfs/dbraw/zinc/80/07/22/1064800722.db2.gz ITUAWYRGCBJIOR-PKOBYXMFSA-N 1 1 496.519 4.610 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 ZINC001360010425 1064801533 /nfs/dbraw/zinc/80/15/33/1064801533.db2.gz PRURJIZSFPNWHN-UFYCRDLUSA-N 1 1 457.585 4.666 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(C3CCCC3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)C1 ZINC001360010187 1064801581 /nfs/dbraw/zinc/80/15/81/1064801581.db2.gz LYZUJTWKBRJNJJ-JTHBVZDNSA-N 1 1 488.721 4.749 20 0 JJADMO CC(C)CN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1)C(C)C ZINC001360010525 1064802583 /nfs/dbraw/zinc/80/25/83/1064802583.db2.gz RDRYRQYWSLQCER-OAQYLSRUSA-N 1 1 455.647 4.913 20 0 JJADMO CN(C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001435519541 1064802469 /nfs/dbraw/zinc/80/24/69/1064802469.db2.gz SCFKVIHUKQOSRZ-BJKOFHAPSA-N 1 1 451.611 4.766 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@H](C)C2)C1 ZINC001360010866 1064804399 /nfs/dbraw/zinc/80/43/99/1064804399.db2.gz XJWIKCQYDZDLIN-RJGXRXQPSA-N 1 1 488.721 4.607 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(COc3ccccc3F)nnc2N(C)CC2CCCC2)C1 ZINC001360011408 1064805331 /nfs/dbraw/zinc/80/53/31/1064805331.db2.gz DDOZABQWEVMKLR-QFIPXVFZSA-N 1 1 457.638 4.991 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C)(C)CC2)C1 ZINC001360011530 1064806560 /nfs/dbraw/zinc/80/65/60/1064806560.db2.gz FMPCYCUWPVRXBU-NRFANRHFSA-N 1 1 457.638 4.991 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(N3CC[C@@](O)(Cc4cccc(Cl)c4)C3)nnc2C(C)(C)C)C1 ZINC001360012058 1064807160 /nfs/dbraw/zinc/80/71/60/1064807160.db2.gz LOUJBDCUQDSZFX-AJTFRIOCSA-N 1 1 488.120 4.781 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)c2cccc(O)c2)C1 ZINC001360012331 1064809303 /nfs/dbraw/zinc/80/93/03/1064809303.db2.gz POQYGRYBRZZMHE-GMAHTHKFSA-N 1 1 462.642 4.535 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(CCc3ccccc3)nnc2N2CCSC(C)(C)C2)C1 ZINC001360012671 1064810221 /nfs/dbraw/zinc/81/02/21/1064810221.db2.gz UNUKEUDIAFUFQL-HSZRJFAPSA-N 1 1 455.716 4.763 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(F)(F)CC2)C1 ZINC001360012805 1064811048 /nfs/dbraw/zinc/81/10/48/1064811048.db2.gz WOBFNFVXGBQGPG-NJDAHSKKSA-N 1 1 467.649 4.800 20 0 JJADMO O=C(Cc1ccc(C(F)(F)F)cc1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001435530523 1064812123 /nfs/dbraw/zinc/81/21/23/1064812123.db2.gz RMFAKAUXDSZELO-UHFFFAOYSA-N 1 1 455.318 4.791 20 0 JJADMO CC(C)CN1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1=O ZINC001360021819 1064825443 /nfs/dbraw/zinc/82/54/43/1064825443.db2.gz SQSZADLPFWAEPY-BHIFYINESA-N 1 1 498.691 4.534 20 0 JJADMO CC(C)CN1CCN(c2nnc(C3CCCC3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)[C@H](C)C1=O ZINC001360025870 1064827494 /nfs/dbraw/zinc/82/74/94/1064827494.db2.gz XIFJPVCXLSFQIT-AUSIDOKSSA-N 1 1 487.092 4.585 20 0 JJADMO C[C@@H]1CN(C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001435561456 1064832881 /nfs/dbraw/zinc/83/28/81/1064832881.db2.gz DWQSJHFFOKGWIY-KHVXQDHOSA-N 1 1 455.602 4.669 20 0 JJADMO Cc1sc2nc(C)nc(SCC(=O)N3C[C@@H](C)[N@@H+](Cc4ccccc4)C[C@H]3C)c2c1C ZINC001435565794 1064836992 /nfs/dbraw/zinc/83/69/92/1064836992.db2.gz URQYAFRMWFBJAU-HZPDHXFCSA-N 1 1 454.665 4.830 20 0 JJADMO Cc1sc2nc(C)nc(SCC(=O)N3C[C@@H](C)[N@H+](Cc4ccccc4)C[C@H]3C)c2c1C ZINC001435565794 1064837007 /nfs/dbraw/zinc/83/70/07/1064837007.db2.gz URQYAFRMWFBJAU-HZPDHXFCSA-N 1 1 454.665 4.830 20 0 JJADMO Cc1sc2nc(C)nc(SCC(=O)N3C[C@@H](C)[N@@H+](Cc4ccccc4)C[C@@H]3C)c2c1C ZINC001435565779 1064837035 /nfs/dbraw/zinc/83/70/35/1064837035.db2.gz URQYAFRMWFBJAU-CVEARBPZSA-N 1 1 454.665 4.830 20 0 JJADMO Cc1sc2nc(C)nc(SCC(=O)N3C[C@@H](C)[N@H+](Cc4ccccc4)C[C@@H]3C)c2c1C ZINC001435565779 1064837051 /nfs/dbraw/zinc/83/70/51/1064837051.db2.gz URQYAFRMWFBJAU-CVEARBPZSA-N 1 1 454.665 4.830 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001435565098 1064837194 /nfs/dbraw/zinc/83/71/94/1064837194.db2.gz HWQQOESYYIGCKO-SFTDATJTSA-N 1 1 455.643 4.535 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)[C@H]2CCSC2)C1 ZINC001360034964 1064839380 /nfs/dbraw/zinc/83/93/80/1064839380.db2.gz IFLMTGSOGSNCIE-GOTSBHOMSA-N 1 1 471.715 4.541 20 0 JJADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCC[C@@H]2C(C)C)C1 ZINC001360035513 1064841392 /nfs/dbraw/zinc/84/13/92/1064841392.db2.gz NRRLDAFMBOXBAC-QZTJIDSGSA-N 1 1 496.519 4.751 20 0 JJADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC(OC(C)C)CC2)C1 ZINC001360035929 1064842287 /nfs/dbraw/zinc/84/22/87/1064842287.db2.gz RGKHQLIGPKGICN-AREMUKBSSA-N 1 1 497.728 4.993 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC(OC(C)C)CC2)C1 ZINC001360035930 1064842540 /nfs/dbraw/zinc/84/25/40/1064842540.db2.gz RGKHQLIGPKGICN-SANMLTNESA-N 1 1 497.728 4.993 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(CC3CCCC3)nnc2N(C)[C@@H](C)c2ccccc2F)C1 ZINC001360038205 1064849590 /nfs/dbraw/zinc/84/95/90/1064849590.db2.gz CJWOPINZTPFAPI-UNMCSNQZSA-N 1 1 457.638 4.704 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(CC3CCCC3)nnc2N(C)[C@H](C)c2ccccc2F)C1 ZINC001360038201 1064849904 /nfs/dbraw/zinc/84/99/04/1064849904.db2.gz CJWOPINZTPFAPI-IRLDBZIGSA-N 1 1 457.638 4.704 20 0 JJADMO C[C@@H]1C[C@@H](CCNC(=O)Cc2noc3ccc(Br)cc32)C[N@H+]1Cc1ccccc1 ZINC001435585593 1064850293 /nfs/dbraw/zinc/85/02/93/1064850293.db2.gz KGTXJCZYFIAPOM-SJLPKXTDSA-N 1 1 456.384 4.550 20 0 JJADMO CC(C)COC(=O)N1CCCN(c2nnc(C(C)C)n2C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC001360038771 1064850483 /nfs/dbraw/zinc/85/04/83/1064850483.db2.gz JMFQTLZDVKMIDF-VWLOTQADSA-N 1 1 496.700 4.617 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(CCCc3ccccc3)nnc2N(C)C2CCCCC2)C1 ZINC001360039043 1064852447 /nfs/dbraw/zinc/85/24/47/1064852447.db2.gz LTHMHVJFBZIDEU-VWLOTQADSA-N 1 1 453.675 4.579 20 0 JJADMO C[C@@H]1C[C@@H](CCNC(=O)C(F)(F)c2ccccc2Br)C[N@H+]1Cc1ccccc1 ZINC001435587949 1064852779 /nfs/dbraw/zinc/85/27/79/1064852779.db2.gz TZBBFWKXOZJFDI-SJLPKXTDSA-N 1 1 451.355 4.958 20 0 JJADMO C[C@H]1C[C@H](CCNC(=O)C2=Cc3cc(Br)ccc3OC2)C[N@H+]1Cc1ccccc1 ZINC001435588516 1064853792 /nfs/dbraw/zinc/85/37/92/1064853792.db2.gz XYAWJETXDYNVIA-HKUYNNGSSA-N 1 1 455.396 4.642 20 0 JJADMO 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CC(C)CO[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC001360055410 1064885013 /nfs/dbraw/zinc/88/50/13/1064885013.db2.gz SRRLBHGISIGKRB-TUNNFDKTSA-N 1 1 459.704 4.972 20 0 JJADMO CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001360056634 1064888734 /nfs/dbraw/zinc/88/87/34/1064888734.db2.gz DSFDCESFSQZYLL-DEOSSOPVSA-N 1 1 483.701 4.605 20 0 JJADMO CC(C)CO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001360058772 1064895871 /nfs/dbraw/zinc/89/58/71/1064895871.db2.gz VRFPTUXFBJRECY-OFNKIYASSA-N 1 1 474.049 4.585 20 0 JJADMO CC(C)CO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001360061773 1064901764 /nfs/dbraw/zinc/90/17/64/1064901764.db2.gz BNYRORIMFJDPJL-SFTDATJTSA-N 1 1 475.628 4.663 20 0 JJADMO CC(C)CC(=O)Nc1ccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1F ZINC001435655945 1064912467 /nfs/dbraw/zinc/91/24/67/1064912467.db2.gz GAYUCVCMUTVNAK-CQOQZXRMSA-N 1 1 451.586 4.841 20 0 JJADMO C[C@H](Oc1ccccc1Br)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001435658311 1064913595 /nfs/dbraw/zinc/91/35/95/1064913595.db2.gz YIXGNIGPSDOEQV-RJJVWVDVSA-N 1 1 457.412 4.633 20 0 JJADMO CC(C)(C)OC(=O)/C=C\c1cc(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)co1 ZINC001435661959 1064916386 /nfs/dbraw/zinc/91/63/86/1064916386.db2.gz KTZGYDXPDZCUAH-ZGWPDQKKSA-N 1 1 450.579 4.665 20 0 JJADMO CC(C)COCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001360073432 1064919325 /nfs/dbraw/zinc/91/93/25/1064919325.db2.gz LTYMDETWHCNPSE-UHFFFAOYSA-N 1 1 462.082 4.896 20 0 JJADMO O=C(C[C@@H]1CCC[C@@H](C(F)(F)F)O1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001435669525 1064922978 /nfs/dbraw/zinc/92/29/78/1064922978.db2.gz PEHHPRUIBHDJQB-ROUUACIJSA-N 1 1 453.332 4.964 20 0 JJADMO CC(C)CSCCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001360076114 1064923658 /nfs/dbraw/zinc/92/36/58/1064923658.db2.gz FSPFSFFPMGTFHC-QFIPXVFZSA-N 1 1 481.714 4.559 20 0 JJADMO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC001435670191 1064923828 /nfs/dbraw/zinc/92/38/28/1064923828.db2.gz YCHKZWMZICTLQA-ZWKOTPCHSA-N 1 1 453.332 4.822 20 0 JJADMO CC(C)[N@H+](Cc1ccc(NC(=O)C[C@H]2CCC3(CCOCC3)CO2)cc1)C[C@H]1CCCCO1 ZINC001435672340 1064925831 /nfs/dbraw/zinc/92/58/31/1064925831.db2.gz FTEQHRLUCCTERM-JWQCQUIFSA-N 1 1 458.643 4.771 20 0 JJADMO CC(C)[N@H+](Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)CC(C)(C)C)cc1)C[C@H]1CCCCO1 ZINC001435675415 1064927934 /nfs/dbraw/zinc/92/79/34/1064927934.db2.gz VSQSUSANQBTIAQ-RPWUZVMVSA-N 1 1 457.659 4.832 20 0 JJADMO CC(C)CSCCn1c(-c2cccnc2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001360083098 1064944526 /nfs/dbraw/zinc/94/45/26/1064944526.db2.gz WWOYAMUXOFTBHL-DEOSSOPVSA-N 1 1 464.683 4.830 20 0 JJADMO CC(C)CSCCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001360086010 1064948850 /nfs/dbraw/zinc/94/88/50/1064948850.db2.gz OAKWPKAWRVUXHP-GMKZXUHWSA-N 1 1 471.715 4.661 20 0 JJADMO C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)/C=C\c3cnc(C(C)(C)C)s3)cc2)C[C@H]1C ZINC001435723555 1064956388 /nfs/dbraw/zinc/95/63/88/1064956388.db2.gz JTYHUWZSTGTSGG-AOVBRVLXSA-N 1 1 455.668 4.779 20 0 JJADMO Cc1cc(C(=O)NCCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)nn1C1CCCCC1 ZINC001435725733 1064957534 /nfs/dbraw/zinc/95/75/34/1064957534.db2.gz VEMJRCKAFRSEQT-OYRHEFFESA-N 1 1 452.643 4.636 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCC=CO2)CC1 ZINC001360092517 1064961242 /nfs/dbraw/zinc/96/12/42/1064961242.db2.gz IKCFPAYNXCVQRY-HXUWFJFHSA-N 1 1 462.013 4.987 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(-n3ccnc3)c(F)c2)CC1 ZINC001360092549 1064962059 /nfs/dbraw/zinc/96/20/59/1064962059.db2.gz JMYGFZISYOUREC-UHFFFAOYSA-N 1 1 467.637 4.505 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)N2CCOCC2)CC1 ZINC001360092689 1064962883 /nfs/dbraw/zinc/96/28/83/1064962883.db2.gz OIXJXRHWSFQSOY-HSZRJFAPSA-N 1 1 496.744 4.520 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(CC(C)(C)C)nnc1N(C)CC1COC(C)(C)OC1 ZINC001360092913 1064964687 /nfs/dbraw/zinc/96/46/87/1064964687.db2.gz XFZDQZXMJFOSAT-UHFFFAOYSA-N 1 1 471.690 4.591 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001360094651 1064966532 /nfs/dbraw/zinc/96/65/32/1064966532.db2.gz HSOWQKBVTYSMHJ-QHCPKHFHSA-N 1 1 488.721 4.892 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC(C)(C)C(C)C)CC1 ZINC001360094742 1064966649 /nfs/dbraw/zinc/96/66/49/1064966649.db2.gz KWBZGRDCUSCFJX-UHFFFAOYSA-N 1 1 479.673 4.833 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(CC3CCCC3)n2CCN(C)c2ccccc2)CC1 ZINC001360095404 1064970044 /nfs/dbraw/zinc/97/00/44/1064970044.db2.gz HXLBDPFNAORUOR-UHFFFAOYSA-N 1 1 452.691 4.704 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(CC3CC3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001360096098 1064971584 /nfs/dbraw/zinc/97/15/84/1064971584.db2.gz XATQZAZZAFNPSX-UHFFFAOYSA-N 1 1 467.555 4.993 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccccc3F)n2CCSC(F)(F)F)CC1 ZINC001360096146 1064972453 /nfs/dbraw/zinc/97/24/53/1064972453.db2.gz YXJNEHAUFSFUKH-UHFFFAOYSA-N 1 1 473.584 4.818 20 0 JJADMO CC(C)[N@H+](C)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 ZINC001360097238 1064972950 /nfs/dbraw/zinc/97/29/50/1064972950.db2.gz ALLHSISIOPJXBR-DEOSSOPVSA-N 1 1 496.744 4.522 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 ZINC001360097238 1064972965 /nfs/dbraw/zinc/97/29/65/1064972965.db2.gz ALLHSISIOPJXBR-DEOSSOPVSA-N 1 1 496.744 4.522 20 0 JJADMO CC(C)N1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCC[N@H+](C)C(C)C)CC1 ZINC001360097424 1064974478 /nfs/dbraw/zinc/97/44/78/1064974478.db2.gz HBZPTLUKSCDSPD-UHFFFAOYSA-N 1 1 458.720 4.536 20 0 JJADMO CC(C)N1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001360097424 1064974488 /nfs/dbraw/zinc/97/44/88/1064974488.db2.gz HBZPTLUKSCDSPD-UHFFFAOYSA-N 1 1 458.720 4.536 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC1(c2ccccc2)CC1 ZINC001360097476 1064974532 /nfs/dbraw/zinc/97/45/32/1064974532.db2.gz ISPGOPBITOQGMQ-UHFFFAOYSA-N 1 1 453.034 4.892 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCOC[C@H](C2CCC2)C1 ZINC001360097503 1064974749 /nfs/dbraw/zinc/97/47/49/1064974749.db2.gz JJDDAODJPSVWTB-OAQYLSRUSA-N 1 1 477.600 4.530 20 0 JJADMO Cc1cc(Br)c(CC(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC001435750015 1064974804 /nfs/dbraw/zinc/97/48/04/1064974804.db2.gz WPFBHIMJYSQTOG-YJYMSZOUSA-N 1 1 459.812 4.963 20 0 JJADMO C[N@H+]1CC[C@@H](CNC(=O)c2cccc(OCc3cscn3)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435750525 1064975419 /nfs/dbraw/zinc/97/54/19/1064975419.db2.gz RLRWGAWRVSTVGQ-HTAPYJJXSA-N 1 1 459.974 4.937 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001360097593 1064975438 /nfs/dbraw/zinc/97/54/38/1064975438.db2.gz MSPQHBSGCMRTJE-INIZCTEOSA-N 1 1 454.446 4.986 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 ZINC001360097520 1064975620 /nfs/dbraw/zinc/97/56/20/1064975620.db2.gz JVOCJOGFPARARG-HSZRJFAPSA-N 1 1 497.728 4.995 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 ZINC001360097521 1064975766 /nfs/dbraw/zinc/97/57/66/1064975766.db2.gz JVOCJOGFPARARG-QHCPKHFHSA-N 1 1 497.728 4.995 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 ZINC001360097653 1064975783 /nfs/dbraw/zinc/97/57/83/1064975783.db2.gz OYWYTJSQQLBYAJ-RTWAWAEBSA-N 1 1 450.002 4.616 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H]1[C@H]1CCCO1 ZINC001360097651 1064975849 /nfs/dbraw/zinc/97/58/49/1064975849.db2.gz OYWYTJSQQLBYAJ-LEWJYISDSA-N 1 1 450.002 4.616 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccccn2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC001360098141 1064977009 /nfs/dbraw/zinc/97/70/09/1064977009.db2.gz HXNSKGDEDRSVRF-XMMPIXPASA-N 1 1 483.060 4.674 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc[nH]2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC001360097928 1064977076 /nfs/dbraw/zinc/97/70/76/1064977076.db2.gz FJFFFZRJAGQGOC-VWNXMTODSA-N 1 1 450.631 4.608 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCc2sccc2C1 ZINC001360098104 1064977491 /nfs/dbraw/zinc/97/74/91/1064977491.db2.gz YMROYHXMPADUCI-UHFFFAOYSA-N 1 1 477.476 4.780 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)c1ccccc1F ZINC001360099642 1064978768 /nfs/dbraw/zinc/97/87/68/1064978768.db2.gz AGZCAVNMUDUTDL-OAQYLSRUSA-N 1 1 494.663 4.519 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC001360099855 1064979651 /nfs/dbraw/zinc/97/96/51/1064979651.db2.gz CSYABFOAEHLYHC-ROUUACIJSA-N 1 1 468.067 4.543 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(C2CCCC2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC001360100863 1064980012 /nfs/dbraw/zinc/98/00/12/1064980012.db2.gz XHFINSGXHHHKQJ-UHFFFAOYSA-N 1 1 488.080 4.570 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]2CC[C@@H]21 ZINC001360100310 1064980196 /nfs/dbraw/zinc/98/01/96/1064980196.db2.gz KBNRZHREVUQEKF-VSKRKVRLSA-N 1 1 474.694 4.502 20 0 JJADMO CN(C)c1cc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)cc[nH+]1 ZINC001435759968 1064980435 /nfs/dbraw/zinc/98/04/35/1064980435.db2.gz VVUXTBMNQBRRBN-UHFFFAOYSA-N 1 1 455.301 4.507 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)C2(CCC2)C1 ZINC001360103187 1064982607 /nfs/dbraw/zinc/98/26/07/1064982607.db2.gz BKPGULHXHSYALZ-VSKRKVRLSA-N 1 1 488.721 4.796 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(CCOc2ccccc2)nnc1N1Cc2ccoc2CC(C)(C)C1 ZINC001360103225 1064982987 /nfs/dbraw/zinc/98/29/87/1064982987.db2.gz CMQNOPXMGZSAHR-UHFFFAOYSA-N 1 1 465.642 4.812 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](Cc2ccccc2)C1 ZINC001360103571 1064983105 /nfs/dbraw/zinc/98/31/05/1064983105.db2.gz QVBPGNLUDYGNLL-ISJGIBHGSA-N 1 1 467.702 4.996 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1c1ccco1 ZINC001360103497 1064983256 /nfs/dbraw/zinc/98/32/56/1064983256.db2.gz NQQKORCAIVCRLP-HBMCJLEFSA-N 1 1 486.661 4.714 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC2(C1)CCOCC2 ZINC001360103353 1064983474 /nfs/dbraw/zinc/98/34/74/1064983474.db2.gz IYZGUEUREWCWGM-UHFFFAOYSA-N 1 1 478.106 4.961 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(CCCc2ccccc2)nnc1N1CCCC2(CCOCC2)C1 ZINC001360103722 1064984042 /nfs/dbraw/zinc/98/40/42/1064984042.db2.gz VUBPIHPXZJWFFB-UHFFFAOYSA-N 1 1 453.675 4.581 20 0 JJADMO C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1)c1ccc(F)cc1OC(F)F ZINC001435768398 1064984215 /nfs/dbraw/zinc/98/42/15/1064984215.db2.gz MNFIQACILXGOLV-CWFSZBLJSA-N 1 1 475.536 4.977 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H](C(F)F)C1 ZINC001360103941 1064984935 /nfs/dbraw/zinc/98/49/35/1064984935.db2.gz DYCVHKJCKBKKFW-AWEZNQCLSA-N 1 1 474.369 4.668 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CCC(c2nccs2)CC1 ZINC001360104361 1064985968 /nfs/dbraw/zinc/98/59/68/1064985968.db2.gz PVAXYYOYOBLCAJ-UHFFFAOYSA-N 1 1 495.516 4.950 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001360104449 1064986095 /nfs/dbraw/zinc/98/60/95/1064986095.db2.gz RQFUBXHEUXYCAH-UHFFFAOYSA-N 1 1 480.398 4.888 20 0 JJADMO CC(C)(C)n1cc(Br)c(C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC001435774707 1064986875 /nfs/dbraw/zinc/98/68/75/1064986875.db2.gz KLCKXORZGKIYJM-UHFFFAOYSA-N 1 1 459.432 4.529 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 ZINC001360106431 1064987498 /nfs/dbraw/zinc/98/74/98/1064987498.db2.gz CNPWKDCYQRJVBO-FQEVSTJZSA-N 1 1 475.996 4.856 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 ZINC001360106768 1064988814 /nfs/dbraw/zinc/98/88/14/1064988814.db2.gz QJWLQQSDWPRCSJ-UHFFFAOYSA-N 1 1 494.728 4.812 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 ZINC001360107039 1064989656 /nfs/dbraw/zinc/98/96/56/1064989656.db2.gz ZXUBGBKELDIUPI-QFIPXVFZSA-N 1 1 483.701 4.605 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC001360107689 1064989829 /nfs/dbraw/zinc/98/98/29/1064989829.db2.gz VYYNGAVISUDCEZ-UHFFFAOYSA-N 1 1 495.981 4.612 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(Cc2ccsc2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC001360109853 1064991820 /nfs/dbraw/zinc/99/18/20/1064991820.db2.gz GALHSYHFRMNJRJ-NRFANRHFSA-N 1 1 469.630 4.509 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC001360112834 1064993894 /nfs/dbraw/zinc/99/38/94/1064993894.db2.gz MJXHAFZNKDTCMO-LJQANCHMSA-N 1 1 496.483 4.757 20 0 JJADMO C[C@H](NC(=O)c1cc(Br)c(C(F)(F)F)cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001435851352 1065022944 /nfs/dbraw/zinc/02/29/44/1065022944.db2.gz IMGIAMSDBCAWFT-NWDGAFQWSA-N 1 1 451.302 4.990 20 0 JJADMO C[C@@H](NC(=O)c1cc(Br)c(C(F)(F)F)cc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001435851347 1065023113 /nfs/dbraw/zinc/02/31/13/1065023113.db2.gz IMGIAMSDBCAWFT-NEPJUHHUSA-N 1 1 451.302 4.990 20 0 JJADMO C[C@H](NC(=O)Cc1ccc(Br)c(Br)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001435852452 1065024164 /nfs/dbraw/zinc/02/41/64/1065024164.db2.gz OUFCTGHCGPNYOA-ZFWWWQNUSA-N 1 1 458.238 4.523 20 0 JJADMO CN(C(=O)c1cc(-c2ccccn2)ccc1Cl)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001435865431 1065033450 /nfs/dbraw/zinc/03/34/50/1065033450.db2.gz MJDZDYGIRDCFGK-LOSJGSFVSA-N 1 1 455.046 4.811 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(Br)cc2)C1 ZINC001360138497 1065034308 /nfs/dbraw/zinc/03/43/08/1065034308.db2.gz HCHCFSHVXNZKCP-LJQANCHMSA-N 1 1 471.447 4.793 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001360138824 1065035131 /nfs/dbraw/zinc/03/51/31/1065035131.db2.gz KHBDBKVGZWEVAS-BBWFWOEESA-N 1 1 482.492 4.503 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)C1 ZINC001360139315 1065035826 /nfs/dbraw/zinc/03/58/26/1065035826.db2.gz PXFOFMFNJYCFDV-RTBURBONSA-N 1 1 499.025 4.792 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(N(C)Cc3cc4c(cc3OC(F)F)OCO4)nnc2C(C)(C)C)C1 ZINC001360140295 1065037502 /nfs/dbraw/zinc/03/75/02/1065037502.db2.gz BMAJWPNCMRALRY-QGZVFWFLSA-N 1 1 493.599 4.663 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(N3CCN(c4ncc(Cl)cc4Cl)CC3)nnc2C(C)(C)C)C1 ZINC001360141058 1065039065 /nfs/dbraw/zinc/03/90/65/1065039065.db2.gz LQHQAIAOOVBNBE-GOSISDBHSA-N 1 1 494.515 4.724 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CCSC[C@H]2C)C1 ZINC001360141587 1065040448 /nfs/dbraw/zinc/04/04/48/1065040448.db2.gz QMSYJKPFRXXNOA-RTBURBONSA-N 1 1 464.079 4.573 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)C1 ZINC001360141589 1065040573 /nfs/dbraw/zinc/04/05/73/1065040573.db2.gz QMYJJDZFERLLRS-NSHGMRRFSA-N 1 1 451.631 4.778 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@H]3CCCCO3)nnc2N(C)CCCOc2ccccc2)C1 ZINC001360142448 1065042547 /nfs/dbraw/zinc/04/25/47/1065042547.db2.gz WNEBXHAYJNMEQJ-ISKFKSNPSA-N 1 1 455.647 4.545 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(COc3ccc(Br)cc3)nnc2N2CCC[C@H]2C)C1 ZINC001360142487 1065042682 /nfs/dbraw/zinc/04/26/82/1065042682.db2.gz XIWDEIJYZYBJTF-RTBURBONSA-N 1 1 476.463 4.729 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(COc3ccc(Br)cc3)nnc2N2CCC[C@H]2C)C1 ZINC001360142484 1065042709 /nfs/dbraw/zinc/04/27/09/1065042709.db2.gz XIWDEIJYZYBJTF-MOPGFXCFSA-N 1 1 476.463 4.729 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCC=C(Br)C2)C1 ZINC001360142760 1065043131 /nfs/dbraw/zinc/04/31/31/1065043131.db2.gz ZNVQVDBXGGCJLD-GOSISDBHSA-N 1 1 492.437 4.606 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cccc(Br)c3)n2Cc2ccsc2)CC1 ZINC001360143314 1065043699 /nfs/dbraw/zinc/04/36/99/1065043699.db2.gz DRSVNBCNQNJOKX-UHFFFAOYSA-N 1 1 460.445 4.738 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Br)s3)n2CCSC(F)(F)F)CC1 ZINC001360143679 1065044472 /nfs/dbraw/zinc/04/44/72/1065044472.db2.gz LBXMMVZLZDOLDE-UHFFFAOYSA-N 1 1 498.438 4.943 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cc(F)ccc3Br)n2CC2(C)CC2)CC1 ZINC001360143643 1065044770 /nfs/dbraw/zinc/04/47/70/1065044770.db2.gz KKZWJRZYPZVVIT-UHFFFAOYSA-N 1 1 450.400 4.567 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(F)cc3Br)n2CCC2(C)CC2)CC1 ZINC001360144116 1065044994 /nfs/dbraw/zinc/04/49/94/1065044994.db2.gz VFKKXSAZEYFGOL-UHFFFAOYSA-N 1 1 464.427 4.957 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(O)CCC[C@@H]2C)CC1 ZINC001360143994 1065045315 /nfs/dbraw/zinc/04/53/15/1065045315.db2.gz QTJAITRPEKAAJO-GAJHUEQPSA-N 1 1 466.457 4.724 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCCCNC(=O)OC(C)(C)C)CC1 ZINC001360144079 1065045570 /nfs/dbraw/zinc/04/55/70/1065045570.db2.gz ULGHVDSUBYZCLT-UHFFFAOYSA-N 1 1 491.080 4.824 20 0 JJADMO CCN(Cc1ccccc1)c1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC001435890741 1065048094 /nfs/dbraw/zinc/04/80/94/1065048094.db2.gz RZQCAHDSGFLKOP-NDEPHWFRSA-N 1 1 457.618 4.734 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(CC(C)(C)C)n2Cc2cccnc2OC2CCCC2)CC1 ZINC001360146508 1065048367 /nfs/dbraw/zinc/04/83/67/1065048367.db2.gz NRSKASAHCFTAOC-UHFFFAOYSA-N 1 1 454.663 4.552 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2OCCC2(C)C)CC1 ZINC001360147164 1065049221 /nfs/dbraw/zinc/04/92/21/1065049221.db2.gz KFUMYFROALLYAU-OAQYLSRUSA-N 1 1 478.106 4.959 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)c2cccs2)CC1 ZINC001360146926 1065049324 /nfs/dbraw/zinc/04/93/24/1065049324.db2.gz AIRFRKUVHNYPII-UHFFFAOYSA-N 1 1 467.683 4.859 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccccc2OC(F)F)CC1 ZINC001360147347 1065049912 /nfs/dbraw/zinc/04/99/12/1065049912.db2.gz RDEAITDSXADFKC-IFMALSPDSA-N 1 1 491.627 4.767 20 0 JJADMO Cc1ccc(-n2ncc(C(=O)Nc3ccc([C@H](C)[NH+]4CCOCC4)cc3)c2C(F)(F)F)cc1 ZINC001360148877 1065051697 /nfs/dbraw/zinc/05/16/97/1065051697.db2.gz RDKTXEJVNHTQBN-KRWDZBQOSA-N 1 1 458.484 4.845 20 0 JJADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)[C@H](C)C1 ZINC001360150598 1065054319 /nfs/dbraw/zinc/05/43/19/1065054319.db2.gz HASMUDJKJKKEIQ-NVXWUHKLSA-N 1 1 457.562 4.501 20 0 JJADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2c(C)onc2-c2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC001360150557 1065054537 /nfs/dbraw/zinc/05/45/37/1065054537.db2.gz GFNUPVRYFBFNID-DNVCBOLYSA-N 1 1 453.505 4.536 20 0 JJADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2c(C)onc2-c2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC001360150559 1065054601 /nfs/dbraw/zinc/05/46/01/1065054601.db2.gz GFNUPVRYFBFNID-KXBFYZLASA-N 1 1 453.505 4.536 20 0 JJADMO CC(C)N1CC[NH+](C2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)c3cccs3)CC2)CC1 ZINC001360155947 1065057447 /nfs/dbraw/zinc/05/74/47/1065057447.db2.gz LXQFAJVMIHKXJP-UHFFFAOYSA-N 1 1 472.747 4.610 20 0 JJADMO CC(C)N1CC[NH+](C2CCN(c3nnc(C(C)(C)C)n3[C@H]3CCC[C@H](C(F)(F)F)C3)CC2)CC1 ZINC001360156170 1065058066 /nfs/dbraw/zinc/05/80/66/1065058066.db2.gz SSLJGLLPKPCANQ-FPOVZHCZSA-N 1 1 484.655 4.864 20 0 JJADMO C[NH+](C)Cc1ccc(NC(=O)c2cc(Br)cnc2C2CC2)cc1Br ZINC001435922669 1065065206 /nfs/dbraw/zinc/06/52/06/1065065206.db2.gz DALWOTWEJVYYCV-UHFFFAOYSA-N 1 1 453.178 4.798 20 0 JJADMO C[C@@H](Oc1ccccc1Br)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC001435927125 1065067067 /nfs/dbraw/zinc/06/70/67/1065067067.db2.gz VPWXCFNMUXZUPD-GFCCVEGCSA-N 1 1 456.178 4.679 20 0 JJADMO CC(C)NC(=O)c1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1C[C@@H]1CCCC1(C)C ZINC001360203480 1065079268 /nfs/dbraw/zinc/07/92/68/1065079268.db2.gz GTMWGGFYMVHZEB-GMAHTHKFSA-N 1 1 472.722 4.724 20 0 JJADMO CC(C)c1cccc(-c2ccc(C(=O)NCc3cccc(C[N@H+]4CCC[C@H](C(N)=O)C4)c3)o2)c1 ZINC001360210761 1065081468 /nfs/dbraw/zinc/08/14/68/1065081468.db2.gz ONGLLRWLKQPITP-DEOSSOPVSA-N 1 1 459.590 4.697 20 0 JJADMO CCc1c(C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)cnn1-c1cccc(Cl)c1 ZINC001360213759 1065083280 /nfs/dbraw/zinc/08/32/80/1065083280.db2.gz KLIOPHSXGGKRCR-UHFFFAOYSA-N 1 1 459.034 4.632 20 0 JJADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H]2c2cccs2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001360226095 1065088969 /nfs/dbraw/zinc/08/89/69/1065088969.db2.gz GQXRYRMWTWYHHI-UXHICEINSA-N 1 1 487.073 4.776 20 0 JJADMO COc1cc(Cl)c(Br)cc1C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC001435996054 1065099483 /nfs/dbraw/zinc/09/94/83/1065099483.db2.gz XYGBLFYSBZOYMZ-IBGZPJMESA-N 1 1 453.808 4.998 20 0 JJADMO O=C(Nc1cccc(OC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c1)c1ccco1 ZINC001360252427 1065100321 /nfs/dbraw/zinc/10/03/21/1065100321.db2.gz JTKKOPMPKIJAKA-HSZRJFAPSA-N 1 1 458.436 4.892 20 0 JJADMO COC(=O)NCc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)cc1 ZINC001360279307 1065121519 /nfs/dbraw/zinc/12/15/19/1065121519.db2.gz XSFJNYQEECOBBL-IZZNHLLZSA-N 1 1 457.574 4.705 20 0 JJADMO C[C@H](CNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2)[N@@H+](C)Cc1ccccc1 ZINC001360281577 1065122199 /nfs/dbraw/zinc/12/21/99/1065122199.db2.gz GRBYYGMXRZPTLS-MRXNPFEDSA-N 1 1 457.405 4.918 20 0 JJADMO CC(=O)N(Cc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1)C(C)C ZINC001360299040 1065132365 /nfs/dbraw/zinc/13/23/65/1065132365.db2.gz ANEGRCVQCHDXFY-WUFINQPMSA-N 1 1 470.617 4.693 20 0 JJADMO O=C(c1sc2cc(Br)ccc2c1Cl)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001436049287 1065143119 /nfs/dbraw/zinc/14/31/19/1065143119.db2.gz PADFFISFJOVBBQ-CYBMUJFWSA-N 1 1 457.821 4.502 20 0 JJADMO CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)c3ccccc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CCOC1 ZINC001360320745 1065157171 /nfs/dbraw/zinc/15/71/71/1065157171.db2.gz DXKSUYZKHYMDDB-VYKTZEHYSA-N 1 1 483.701 4.679 20 0 JJADMO CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CCOC1 ZINC001360324303 1065162611 /nfs/dbraw/zinc/16/26/11/1065162611.db2.gz NKAHHGMIOCAUHT-NTKDMRAZSA-N 1 1 496.121 4.790 20 0 JJADMO Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001360328009 1065170600 /nfs/dbraw/zinc/17/06/00/1065170600.db2.gz XAJJUZFMEADENR-JTHBVZDNSA-N 1 1 453.602 4.786 20 0 JJADMO CC(C)O[C@]1(c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCCC[N@H+]2CCCC[C@@H]2C)CCOC1 ZINC001360332636 1065177687 /nfs/dbraw/zinc/17/76/87/1065177687.db2.gz BDBBJMBPNZJMEB-QHWMMSMNSA-N 1 1 475.722 4.846 20 0 JJADMO CC(C)O[C@]1(c2nnc(N3CC[C@H](C(C)C)C3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CCOC1 ZINC001360335197 1065180765 /nfs/dbraw/zinc/18/07/65/1065180765.db2.gz ACUCZRCIXROECK-AMZDPNTKSA-N 1 1 490.092 4.757 20 0 JJADMO CC(C)O[C@]1(c2nnc(N3CC[C@H](C)[C@@H](C)C3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CCOC1 ZINC001360336786 1065185532 /nfs/dbraw/zinc/18/55/32/1065185532.db2.gz YALKWIFECNMNCZ-UXWDXCIHSA-N 1 1 483.701 4.690 20 0 JJADMO CC(C)O[C@]1(c2nnc(N3CC[C@@H](C)[C@@H](C)C3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CCOC1 ZINC001360336783 1065185622 /nfs/dbraw/zinc/18/56/22/1065185622.db2.gz YALKWIFECNMNCZ-AWVRMFGXSA-N 1 1 483.701 4.690 20 0 JJADMO Cc1cc(SCC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C)cc1Br ZINC001436116370 1065191011 /nfs/dbraw/zinc/19/10/11/1065191011.db2.gz QZDYNTRXEQWBPN-BGYRXZFFSA-N 1 1 459.453 4.748 20 0 JJADMO CC(C)O[C@]1(c2nnc(N3CC[N@@H+](Cc4ccccc4)C[C@H]3C)n2CCCC(C)(C)C)CCOC1 ZINC001360348553 1065196435 /nfs/dbraw/zinc/19/64/35/1065196435.db2.gz YGOZQRZFTQKAGM-QDPGVEIFSA-N 1 1 483.701 4.856 20 0 JJADMO CC(C)Oc1cccc(CN(C)c2nnc(-c3ccc[nH]3)n2CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001360359651 1065211972 /nfs/dbraw/zinc/21/19/72/1065211972.db2.gz HKOFQEGTECGHQL-NRFANRHFSA-N 1 1 450.631 4.961 20 0 JJADMO CC(C)OC1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001360367714 1065226598 /nfs/dbraw/zinc/22/65/98/1065226598.db2.gz ZRZYYGYPUAEPBL-DEOSSOPVSA-N 1 1 483.060 4.614 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C)CC2)n1C[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001545895915 1065231364 /nfs/dbraw/zinc/23/13/64/1065231364.db2.gz HYJZMIQDMQQTSU-SQJMNOBHSA-N 1 1 480.701 4.660 20 0 JJADMO CCC[N@@H+](C)[C@H](CNC(=O)c1c(C)cc(=O)n(-c2ccccc2)c1C)c1ccc(Cl)cc1 ZINC001436197205 1065244826 /nfs/dbraw/zinc/24/48/26/1065244826.db2.gz DZCMTDYKJJGVHJ-HSZRJFAPSA-N 1 1 451.998 4.921 20 0 JJADMO CCC[N@@H+](C)[C@@H](CNC(=O)COc1ccc(Br)cc1F)c1ccc(Cl)cc1 ZINC001436198248 1065246126 /nfs/dbraw/zinc/24/61/26/1065246126.db2.gz VZKCSKQZUNKLNM-SFHVURJKSA-N 1 1 457.771 4.820 20 0 JJADMO CCC[N@@H+](C)[C@@H](CNC(=O)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001436200752 1065247216 /nfs/dbraw/zinc/24/72/16/1065247216.db2.gz FVDFHHYNWBXXHM-HBMCJLEFSA-N 1 1 452.039 4.923 20 0 JJADMO CN(C(=O)c1ccc(NC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001360387499 1065251994 /nfs/dbraw/zinc/25/19/94/1065251994.db2.gz IXRDGNMGKCNIAE-WOJBJXKFSA-N 1 1 451.464 4.521 20 0 JJADMO CC(C)OCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001360398651 1065263191 /nfs/dbraw/zinc/26/31/91/1065263191.db2.gz HPTZUDJSNUSEEX-FQEVSTJZSA-N 1 1 469.033 4.519 20 0 JJADMO C[N@H+](CCC(F)(F)F)[C@H](CNC(=O)CCc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC001436228782 1065267022 /nfs/dbraw/zinc/26/70/22/1065267022.db2.gz GJKWCUIWHOYUBM-HXUWFJFHSA-N 1 1 454.920 4.949 20 0 JJADMO C[N@@H+](CCC(F)(F)F)[C@H](CNC(=O)CCc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC001436228782 1065267031 /nfs/dbraw/zinc/26/70/31/1065267031.db2.gz GJKWCUIWHOYUBM-HXUWFJFHSA-N 1 1 454.920 4.949 20 0 JJADMO CCOC(=O)c1cc(C(=O)NC[C@H](c2ccc(Cl)cc2)[N@H+](C)CCC(F)(F)F)[nH]c1C ZINC001436230267 1065268037 /nfs/dbraw/zinc/26/80/37/1065268037.db2.gz PFDKXPGLIIRKOC-GOSISDBHSA-N 1 1 459.896 4.509 20 0 JJADMO CCOC(=O)c1cc(C(=O)NC[C@H](c2ccc(Cl)cc2)[N@@H+](C)CCC(F)(F)F)[nH]c1C ZINC001436230267 1065268041 /nfs/dbraw/zinc/26/80/41/1065268041.db2.gz PFDKXPGLIIRKOC-GOSISDBHSA-N 1 1 459.896 4.509 20 0 JJADMO CC(C)OCC[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCCC2(C)C)CC1 ZINC001360409940 1065273735 /nfs/dbraw/zinc/27/37/35/1065273735.db2.gz YPJLUDWRQZBKMY-VXKWHMMOSA-N 1 1 487.664 4.931 20 0 JJADMO CC(C)OCC[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2ccccc2)C2CC2)CC1 ZINC001360410021 1065273956 /nfs/dbraw/zinc/27/39/56/1065273956.db2.gz AXGJABMOWXSPCQ-DEOSSOPVSA-N 1 1 453.675 4.608 20 0 JJADMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001360411929 1065275100 /nfs/dbraw/zinc/27/51/00/1065275100.db2.gz JDBLPMQQXGAYOW-MRXNPFEDSA-N 1 1 457.290 4.742 20 0 JJADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCCC2(C)C)CC1 ZINC001360413385 1065276530 /nfs/dbraw/zinc/27/65/30/1065276530.db2.gz WZLVLRKCJUCTRB-JOCHJYFZSA-N 1 1 474.093 4.896 20 0 JJADMO Cc1ccc(CCCC(=O)Nc2cc(Br)ccc2N2CC[N@H+](C)C[C@@H]2C)s1 ZINC001436257200 1065277291 /nfs/dbraw/zinc/27/72/91/1065277291.db2.gz OQOOCWNKBYPMDP-HNNXBMFYSA-N 1 1 450.446 4.921 20 0 JJADMO CC(C)SCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001360423556 1065291424 /nfs/dbraw/zinc/29/14/24/1065291424.db2.gz WOTQHYPODXVRIZ-UNMCSNQZSA-N 1 1 471.715 4.969 20 0 JJADMO C[C@H](c1cc(F)ccc1F)N(C)c1nnc(C2CCCC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001360428094 1065299475 /nfs/dbraw/zinc/29/94/75/1065299475.db2.gz CFALJVUDPUXDKR-NQIIRXRSSA-N 1 1 461.601 4.648 20 0 JJADMO C[C@@H](c1ccc(F)c(F)c1)N(C)c1nnc(CC2CCCC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001360433624 1065312592 /nfs/dbraw/zinc/31/25/92/1065312592.db2.gz SZPSLEUITCWOQM-SFHVURJKSA-N 1 1 461.601 4.597 20 0 JJADMO C[C@@H](c1ccc(F)c(F)c1)N(C)c1nnc(CC2CCCC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001360433624 1065312617 /nfs/dbraw/zinc/31/26/17/1065312617.db2.gz SZPSLEUITCWOQM-SFHVURJKSA-N 1 1 461.601 4.597 20 0 JJADMO CC(=O)N[C@@H](CC(=O)N1CC[N@H+](CCCc2ccccc2)C[C@H]1CC(C)C)c1cccs1 ZINC001436435751 1065318861 /nfs/dbraw/zinc/31/88/61/1065318861.db2.gz YYEIWUPWKHWJRD-RPWUZVMVSA-N 1 1 455.668 4.507 20 0 JJADMO O=C(c1ccoc1Br)N(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001436443564 1065320205 /nfs/dbraw/zinc/32/02/05/1065320205.db2.gz AGCGVJDMUXZIQF-HXUWFJFHSA-N 1 1 454.368 4.744 20 0 JJADMO COC(=O)c1ccc2c(c1)CCC[C@H]2OC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC001436464644 1065325198 /nfs/dbraw/zinc/32/51/98/1065325198.db2.gz FQCYNYXGFBSFCP-UQBPGWFLSA-N 1 1 451.563 4.961 20 0 JJADMO C[C@@H](c1cccs1)N(C)c1nnc(C(C)(C)C)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001360461267 1065365915 /nfs/dbraw/zinc/36/59/15/1065365915.db2.gz REHLKBYMJKRHGB-IBGZPJMESA-N 1 1 453.656 4.715 20 0 JJADMO CCC[C@H]1CN(C(=O)c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)CC[N@H+]1CCOC ZINC001545899527 1065367252 /nfs/dbraw/zinc/36/72/52/1065367252.db2.gz SUZOUXDNBWVEKY-IBGZPJMESA-N 1 1 451.398 4.705 20 0 JJADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC(C)(C)O)CC1 ZINC001360466021 1065376086 /nfs/dbraw/zinc/37/60/86/1065376086.db2.gz GNRKRPHZEVBONW-QGZVFWFLSA-N 1 1 460.047 4.704 20 0 JJADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(C(C)(C)C)n2CCSCC(F)(F)F)CC1 ZINC001360466507 1065378829 /nfs/dbraw/zinc/37/88/29/1065378829.db2.gz MMCABEVYTCUFOU-OAHLLOKOSA-N 1 1 461.623 4.816 20 0 JJADMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(CC(C)(C)C)n2Cc2nccc(C(F)F)n2)CC1 ZINC001360467436 1065380907 /nfs/dbraw/zinc/38/09/07/1065380907.db2.gz OKUSLZOTQZVHNR-INIZCTEOSA-N 1 1 475.613 4.587 20 0 JJADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@](C)(O)c2ccccc2)CC1 ZINC001360467962 1065382953 /nfs/dbraw/zinc/38/29/53/1065382953.db2.gz VOERIZLRPPXVGK-IBVKSMDESA-N 1 1 467.683 4.719 20 0 JJADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@](C)(O)c2ccccc2)CC1 ZINC001360467961 1065383042 /nfs/dbraw/zinc/38/30/42/1065383042.db2.gz VOERIZLRPPXVGK-FQRUVTKNSA-N 1 1 467.683 4.719 20 0 JJADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(Cc3ccsc3)n2CCCOC(F)(F)F)CC1 ZINC001360467951 1065383296 /nfs/dbraw/zinc/38/32/96/1065383296.db2.gz UXUYTTWBDUPEQF-MRXNPFEDSA-N 1 1 485.601 4.802 20 0 JJADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(N(C)C)c2)CC1 ZINC001360468053 1065383890 /nfs/dbraw/zinc/38/38/90/1065383890.db2.gz XMYPXNMCLGSFMC-HXUWFJFHSA-N 1 1 466.699 4.926 20 0 JJADMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCCN(C)CC(F)(F)F)CC1 ZINC001360468208 1065384121 /nfs/dbraw/zinc/38/41/21/1065384121.db2.gz ZHOHKLABCVBXEV-SFHVURJKSA-N 1 1 486.652 4.696 20 0 JJADMO O=C(Cc1ccccc1C(F)(F)F)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC001436717152 1065429267 /nfs/dbraw/zinc/42/92/67/1065429267.db2.gz NHDDUCOJEFUEFA-UHFFFAOYSA-N 1 1 455.318 4.791 20 0 JJADMO O=C(NC1CC[NH+](Cc2cccc(Br)c2)CC1)c1ccc(OC(F)F)cc1F ZINC001436717666 1065429327 /nfs/dbraw/zinc/42/93/27/1065429327.db2.gz PSYIHNHIKPJNSR-UHFFFAOYSA-N 1 1 457.290 4.584 20 0 JJADMO C[C@H]1CN(C(=O)c2cc(Br)c(C(F)(F)F)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC001436726413 1065430291 /nfs/dbraw/zinc/43/02/91/1065430291.db2.gz NHORWDIYBMDVGV-ZDUSSCGKSA-N 1 1 459.281 4.954 20 0 JJADMO C[C@H]1CN(C(=O)c2cc(Br)c(C(F)(F)F)cc2F)CC[N@H+]1Cc1ccccc1 ZINC001436726413 1065430300 /nfs/dbraw/zinc/43/03/00/1065430300.db2.gz NHORWDIYBMDVGV-ZDUSSCGKSA-N 1 1 459.281 4.954 20 0 JJADMO COCC[N@@H+](C)CCCC1CCN(C(=O)[C@H](C)Sc2ccc(Br)cc2)CC1 ZINC001545901692 1065442550 /nfs/dbraw/zinc/44/25/50/1065442550.db2.gz UTXLZAAJDPYKIU-KRWDZBQOSA-N 1 1 457.478 4.527 20 0 JJADMO C[C@H](CCn1c([C@@H]2CCCCO2)nnc1N1CCSC(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360509447 1065449768 /nfs/dbraw/zinc/44/97/68/1065449768.db2.gz SKXVOCFMTVAPAR-IRLDBZIGSA-N 1 1 457.688 4.762 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCCOC3)n2CC[C@H](C)c2ccccc2)CC1 ZINC001360509580 1065450804 /nfs/dbraw/zinc/45/08/04/1065450804.db2.gz VHAHBTPRGRBIRV-DHLKQENFSA-N 1 1 453.675 4.923 20 0 JJADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC001436847780 1065452317 /nfs/dbraw/zinc/45/23/17/1065452317.db2.gz RSVCDLSTJFWNLY-SJLPKXTDSA-N 1 1 462.040 4.792 20 0 JJADMO C[C@H](CCn1c(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001360510261 1065453417 /nfs/dbraw/zinc/45/34/17/1065453417.db2.gz HCJNWCUOKMRLLD-GGAORHGYSA-N 1 1 498.716 4.837 20 0 JJADMO C[C@@H](CCn1c(CC2CC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360510311 1065453487 /nfs/dbraw/zinc/45/34/87/1065453487.db2.gz HWEZVAVGZLEQAK-URXFXBBRSA-N 1 1 496.700 4.635 20 0 JJADMO C[C@H](CCn1c(N2CCC(C(=O)C(F)(F)F)CC2)nnc1C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001360511212 1065456541 /nfs/dbraw/zinc/45/65/41/1065456541.db2.gz VJOMDKYKMRVCIY-GOSISDBHSA-N 1 1 479.591 4.834 20 0 JJADMO C[C@H](CCn1c(N2CCN(Cc3ccsc3)CC2)nnc1C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001360513527 1065461068 /nfs/dbraw/zinc/46/10/68/1065461068.db2.gz BNVIWANGYUMWCW-JOCHJYFZSA-N 1 1 480.726 4.870 20 0 JJADMO CC(C)c1nnc(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001360513822 1065462678 /nfs/dbraw/zinc/46/26/78/1065462678.db2.gz ITYNOAPOPHIYGZ-LADGPHEKSA-N 1 1 498.716 4.863 20 0 JJADMO C[C@@H](CCn1c(Nc2ccn(C)n2)nnc1[C@@H]1CCO[C@H]1C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001360514718 1065468978 /nfs/dbraw/zinc/46/89/78/1065468978.db2.gz YGSMRWZIQGTXQR-XKCSPQBFSA-N 1 1 465.646 4.584 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccccc2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545903919 1065494595 /nfs/dbraw/zinc/49/45/95/1065494595.db2.gz KSCAJBAFLOHOQN-FBLLAGFSSA-N 1 1 480.701 4.906 20 0 JJADMO O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001545904929 1065509674 /nfs/dbraw/zinc/50/96/74/1065509674.db2.gz KDWMJZWYHJBBEZ-FZKQIMNGSA-N 1 1 450.423 4.578 20 0 JJADMO CC(C)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@@H](C)Oc1ccc(Cl)cc1 ZINC001360530555 1065511490 /nfs/dbraw/zinc/51/14/90/1065511490.db2.gz AVTRYAZVQHYTBG-GOSISDBHSA-N 1 1 460.047 4.906 20 0 JJADMO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1nc(-c2cccnc2Cl)ns1 ZINC001437135597 1065511941 /nfs/dbraw/zinc/51/19/41/1065511941.db2.gz STLXQSXUBHQJBV-HNNXBMFYSA-N 1 1 457.987 4.759 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCCC3(CCCC3)C2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001545905452 1065518930 /nfs/dbraw/zinc/51/89/30/1065518930.db2.gz BJSZVQRPUHGVMY-QFIPXVFZSA-N 1 1 472.722 4.869 20 0 JJADMO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccsc1)[N@@H+](C)C1CC1 ZINC001360541522 1065528658 /nfs/dbraw/zinc/52/86/58/1065528658.db2.gz QLXPBGSWBNKAGC-ZDUSSCGKSA-N 1 1 466.474 4.950 20 0 JJADMO C[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C)C(C)(C)C1)[NH+]1CCOCC1 ZINC001360542129 1065530936 /nfs/dbraw/zinc/53/09/36/1065530936.db2.gz XSTFQIHPAALWTF-SJORKVTESA-N 1 1 466.457 4.845 20 0 JJADMO C[C@H](Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360544836 1065534915 /nfs/dbraw/zinc/53/49/15/1065534915.db2.gz QXNQLQAIBGHYDO-QYZOEREBSA-N 1 1 489.064 4.527 20 0 JJADMO C[C@H](Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H](OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001360545063 1065535383 /nfs/dbraw/zinc/53/53/83/1065535383.db2.gz WBJSAHQBMJVDAR-MJGOQNOKSA-N 1 1 490.490 4.974 20 0 JJADMO CCCCCCOc1ccc(CC(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001437368941 1065543632 /nfs/dbraw/zinc/54/36/32/1065543632.db2.gz BPXFWGJYGOKSGJ-RRPNLBNLSA-N 1 1 450.623 4.690 20 0 JJADMO CC(C)(C)c1ccc(OCCCC(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001437376464 1065544921 /nfs/dbraw/zinc/54/49/21/1065544921.db2.gz KOKNVNRXCZJOTQ-FTJBHMTQSA-N 1 1 450.623 4.645 20 0 JJADMO C[C@@H](Cn1c(C2CC2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N(C)C(=O)OC(C)(C)C ZINC001360555980 1065546197 /nfs/dbraw/zinc/54/61/97/1065546197.db2.gz ZXRSRFQLOGPEDR-NZQKXSOJSA-N 1 1 482.673 4.512 20 0 JJADMO C[C@H](Cn1c(C2CCC2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360557767 1065546791 /nfs/dbraw/zinc/54/67/91/1065546791.db2.gz FLRPVTMGTOLHLH-RTWAWAEBSA-N 1 1 482.673 4.512 20 0 JJADMO C[C@@H](CSc1ccccc1)N(C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001437412796 1065548563 /nfs/dbraw/zinc/54/85/63/1065548563.db2.gz OHYDMUZOQIOCLS-WWPVKYPJSA-N 1 1 451.661 4.998 20 0 JJADMO C[C@H](Cn1c(C2CCCC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)Sc1ccccc1 ZINC001360559908 1065550216 /nfs/dbraw/zinc/55/02/16/1065550216.db2.gz OLARWHGHTZFWOR-QHAWAJNXSA-N 1 1 457.688 4.662 20 0 JJADMO C[C@H](Cn1c(C2CCCC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)Sc1ccccc1 ZINC001360559908 1065550222 /nfs/dbraw/zinc/55/02/22/1065550222.db2.gz OLARWHGHTZFWOR-QHAWAJNXSA-N 1 1 457.688 4.662 20 0 JJADMO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1)[N@@H+](C)C1CC1 ZINC001360565524 1065556171 /nfs/dbraw/zinc/55/61/71/1065556171.db2.gz XTGCUVOHIBHNGT-PLMTUMEDSA-N 1 1 494.453 4.564 20 0 JJADMO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC=C(Br)C1)[N@@H+](C)Cc1ccccc1 ZINC001360568723 1065560528 /nfs/dbraw/zinc/56/05/28/1065560528.db2.gz FWIMUDQRWJELEP-SFHVURJKSA-N 1 1 460.464 4.876 20 0 JJADMO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1nccs1 ZINC001360569002 1065561456 /nfs/dbraw/zinc/56/14/56/1065561456.db2.gz ICTHQNNWSZCKEI-VQTJNVASSA-N 1 1 452.672 4.838 20 0 JJADMO C[C@@H](Cn1c(CC(C)(C)C)nnc1N(Cc1ccccc1)CC1CCOCC1)[N@@H+](C)C1CC1 ZINC001360569088 1065561578 /nfs/dbraw/zinc/56/15/78/1065561578.db2.gz GGYSXRLJQSPGFG-NRFANRHFSA-N 1 1 453.675 4.783 20 0 JJADMO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1)[N@@H+](C)C1CC1 ZINC001360570992 1065565013 /nfs/dbraw/zinc/56/50/13/1065565013.db2.gz XVZNLBFDFIJBIU-QUCCMNQESA-N 1 1 455.622 4.588 20 0 JJADMO C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360574210 1065568185 /nfs/dbraw/zinc/56/81/85/1065568185.db2.gz BJYQVKLLLVJOMU-DHLKQENFSA-N 1 1 476.669 4.568 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCCCCCC2)n1Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001545907569 1065569083 /nfs/dbraw/zinc/56/90/83/1065569083.db2.gz MEWMUUXJBMRRRD-UHFFFAOYSA-N 1 1 481.620 4.649 20 0 JJADMO C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C(F)(F)F)C1)[N@@H+](C)Cc1ccccc1 ZINC001360574931 1065570727 /nfs/dbraw/zinc/57/07/27/1065570727.db2.gz QFPPQPOHRUAQBD-KNQAVFIVSA-N 1 1 472.559 4.563 20 0 JJADMO C[C@H](Cn1c(Cc2cccnc2)nnc1N1CC=C(C(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001360575626 1065571158 /nfs/dbraw/zinc/57/11/58/1065571158.db2.gz XKTWIVJELMAIDC-JOCHJYFZSA-N 1 1 458.654 4.967 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCCCCC2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001545908021 1065583426 /nfs/dbraw/zinc/58/34/26/1065583426.db2.gz WMLIJCGZQMDBQM-OAQYLSRUSA-N 1 1 461.054 4.533 20 0 JJADMO C[C@H](Cn1c(N2CCC[C@H](Oc3ncccc3F)C2)nnc1C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001360587483 1065588993 /nfs/dbraw/zinc/58/89/93/1065588993.db2.gz QHJPZIMEMFFGFU-IRLDBZIGSA-N 1 1 480.632 4.678 20 0 JJADMO C[C@@H](Cn1c(N2CCc3cc(OCC(C)(C)F)ccc3C2)nnc1C(C)(C)C)[N@@H+](C)C1CC1 ZINC001360587501 1065589342 /nfs/dbraw/zinc/58/93/42/1065589342.db2.gz QSEBZFHFBMPFBG-SFHVURJKSA-N 1 1 457.638 4.748 20 0 JJADMO C[C@@H](Cn1c(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)nnc1C(C)(C)C)c1nccs1 ZINC001360587763 1065589931 /nfs/dbraw/zinc/58/99/31/1065589931.db2.gz TXGDOULQWDAFTK-SFHVURJKSA-N 1 1 456.635 4.687 20 0 JJADMO C[C@H](Cn1c(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)nnc1C(C)(C)C)[N@@H+](C)C1CC1 ZINC001360587937 1065590631 /nfs/dbraw/zinc/59/06/31/1065590631.db2.gz VFSGBGCKPYUHAR-UZLBHIALSA-N 1 1 465.564 4.655 20 0 JJADMO C[C@@H](Cn1c(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nnc1C(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001360588353 1065591793 /nfs/dbraw/zinc/59/17/93/1065591793.db2.gz ZRIOZQPJXGOBPG-LEWJYISDSA-N 1 1 484.689 4.542 20 0 JJADMO CC(C)[C@@H]1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001360605602 1065630773 /nfs/dbraw/zinc/63/07/73/1065630773.db2.gz BANKLNPAVDGWNA-BJKOFHAPSA-N 1 1 497.728 4.995 20 0 JJADMO C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(CC(C)(C)C)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001360610283 1065643777 /nfs/dbraw/zinc/64/37/77/1065643777.db2.gz GKWOZRDNHMBBHW-VXKWHMMOSA-N 1 1 498.716 4.738 20 0 JJADMO C[C@@H](COCc1ccccc1)Cn1c([C@H]2CCCCO2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001360613825 1065657698 /nfs/dbraw/zinc/65/76/98/1065657698.db2.gz IAOZQAQQFORXED-ISKFKSNPSA-N 1 1 469.674 4.683 20 0 JJADMO CC(F)(F)CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001360626865 1065673163 /nfs/dbraw/zinc/67/31/63/1065673163.db2.gz XEMIRBPEQMDXQM-HNNXBMFYSA-N 1 1 472.353 4.567 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C ZINC001438263387 1065704157 /nfs/dbraw/zinc/70/41/57/1065704157.db2.gz QRGTWFFTFDPEOC-DWTUOHSQSA-N 1 1 469.670 4.827 20 0 JJADMO C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001360639014 1065706420 /nfs/dbraw/zinc/70/64/20/1065706420.db2.gz MOHLEIDQADSILF-IBGZPJMESA-N 1 1 476.710 4.580 20 0 JJADMO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001438325328 1065710000 /nfs/dbraw/zinc/71/00/00/1065710000.db2.gz KVNNBLWRBNWGCU-FDDCHVKYSA-N 1 1 451.014 4.700 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001438338476 1065712069 /nfs/dbraw/zinc/71/20/69/1065712069.db2.gz WYYBHQFNNSHASY-FGCOXFRFSA-N 1 1 457.659 4.734 20 0 JJADMO C[C@H](Cn1c(C2CC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001360641102 1065712559 /nfs/dbraw/zinc/71/25/59/1065712559.db2.gz CVJGGWVSQXGVRK-RTWAWAEBSA-N 1 1 496.700 4.806 20 0 JJADMO C[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(Br)cc3Cl)cc2Cl)CC1 ZINC001360643867 1065718154 /nfs/dbraw/zinc/71/81/54/1065718154.db2.gz DTAQUCZNACCQKF-UHFFFAOYSA-N 1 1 457.199 4.689 20 0 JJADMO C[NH+]1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(C(F)(F)F)cc3)cc2Cl)CC1 ZINC001360644332 1065718853 /nfs/dbraw/zinc/71/88/53/1065718853.db2.gz XSUTZJNTYXSEOG-UHFFFAOYSA-N 1 1 455.908 4.907 20 0 JJADMO O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001360681209 1065734903 /nfs/dbraw/zinc/73/49/03/1065734903.db2.gz ANVZRTUTIHXZRL-NRFANRHFSA-N 1 1 456.011 4.699 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1C[C@@H](C)c1ccccc1 ZINC001545917174 1065735321 /nfs/dbraw/zinc/73/53/21/1065735321.db2.gz YWUZTVZCOATJHA-NHCUHLMSSA-N 1 1 494.709 4.945 20 0 JJADMO Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@@H](c4nc(C(F)(F)F)cs4)C3)CC2)cs1 ZINC001545917558 1065740229 /nfs/dbraw/zinc/74/02/29/1065740229.db2.gz MBTXWYGVVJFPJB-OAHLLOKOSA-N 1 1 458.575 4.545 20 0 JJADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2 ZINC001360706344 1065742418 /nfs/dbraw/zinc/74/24/18/1065742418.db2.gz CINZEZIDUBEFAV-FMGHJNRGSA-N 1 1 469.670 4.927 20 0 JJADMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(C(=O)c3cc(Cl)cc(C(F)(F)F)c3)C2)O1 ZINC001438865123 1065760252 /nfs/dbraw/zinc/76/02/52/1065760252.db2.gz SOCUCSRIHZQFGE-AOMKIAJQSA-N 1 1 452.904 4.864 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(C(=O)c3cc(Cl)cc(C(F)(F)F)c3)C2)O1 ZINC001438865123 1065760260 /nfs/dbraw/zinc/76/02/60/1065760260.db2.gz SOCUCSRIHZQFGE-AOMKIAJQSA-N 1 1 452.904 4.864 20 0 JJADMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)c3cc(Cl)cc(C(F)(F)F)c3)C2)O1 ZINC001438865127 1065760409 /nfs/dbraw/zinc/76/04/09/1065760409.db2.gz SOCUCSRIHZQFGE-KSFYIVLOSA-N 1 1 452.904 4.864 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)c3cc(Cl)cc(C(F)(F)F)c3)C2)O1 ZINC001438865127 1065760420 /nfs/dbraw/zinc/76/04/20/1065760420.db2.gz SOCUCSRIHZQFGE-KSFYIVLOSA-N 1 1 452.904 4.864 20 0 JJADMO O=C(Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)c1cc(Cl)c(Br)cc1F ZINC001438881180 1065761701 /nfs/dbraw/zinc/76/17/01/1065761701.db2.gz GZWXTIKFGJPJJO-HNNXBMFYSA-N 1 1 452.755 4.778 20 0 JJADMO CCc1c(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nnn1-c1cccc(Cl)c1 ZINC001360735898 1065763886 /nfs/dbraw/zinc/76/38/86/1065763886.db2.gz ZJEQEXNOQJZVOU-RXVVDRJESA-N 1 1 452.002 4.608 20 0 JJADMO CCc1c(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nnn1-c1cccc(Cl)c1 ZINC001360735894 1065763926 /nfs/dbraw/zinc/76/39/26/1065763926.db2.gz ZJEQEXNOQJZVOU-GHTZIAJQSA-N 1 1 452.002 4.608 20 0 JJADMO C[C@H]1C[C@@H](N(C)C(=O)c2cnnn2-c2cccc(Cl)c2Cl)CC[N@H+]1Cc1ccccc1 ZINC001360735912 1065764502 /nfs/dbraw/zinc/76/45/02/1065764502.db2.gz ZMRPDQYEWHDCRL-WMZOPIPTSA-N 1 1 458.393 4.699 20 0 JJADMO C[C@H]1C[C@H](N(C)C(=O)c2cnnn2-c2cccc(Cl)c2Cl)CC[N@H+]1Cc1ccccc1 ZINC001360735909 1065764665 /nfs/dbraw/zinc/76/46/65/1065764665.db2.gz ZMRPDQYEWHDCRL-FUHWJXTLSA-N 1 1 458.393 4.699 20 0 JJADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CC(F)(F)F)n1CC[N@@H+]1CCc2sccc2C1 ZINC001360738743 1065769790 /nfs/dbraw/zinc/76/97/90/1065769790.db2.gz SIUUIFGVEDTCQQ-HNNXBMFYSA-N 1 1 483.535 4.676 20 0 JJADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CC(F)(F)F)n1CC[N@H+]1CCc2sccc2C1 ZINC001360738743 1065769805 /nfs/dbraw/zinc/76/98/05/1065769805.db2.gz SIUUIFGVEDTCQQ-HNNXBMFYSA-N 1 1 483.535 4.676 20 0 JJADMO CC(C)[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC1CCCC1)[NH+]1CCOCC1 ZINC001360739113 1065770531 /nfs/dbraw/zinc/77/05/31/1065770531.db2.gz QKKLMSXEIGQRIJ-GBXCKJPGSA-N 1 1 473.637 4.540 20 0 JJADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)C[C@H]2CCCOC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001360739781 1065772022 /nfs/dbraw/zinc/77/20/22/1065772022.db2.gz WPLWEZYVPOSVFP-LEWJYISDSA-N 1 1 473.637 4.685 20 0 JJADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)C[C@H]2CCCOC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001360739782 1065772071 /nfs/dbraw/zinc/77/20/71/1065772071.db2.gz WPLWEZYVPOSVFP-NHCUHLMSSA-N 1 1 473.637 4.685 20 0 JJADMO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001438988802 1065775043 /nfs/dbraw/zinc/77/50/43/1065775043.db2.gz YUKULMUEWDEGIC-UWJYYQICSA-N 1 1 450.549 4.679 20 0 JJADMO Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001360742410 1065777885 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1065808193 /nfs/dbraw/zinc/80/81/93/1065808193.db2.gz AUNNZYBPFFZRPZ-PWRODBHTSA-N 1 1 476.065 4.665 20 0 JJADMO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CC1(C)CCC1 ZINC001360756016 1065812414 /nfs/dbraw/zinc/81/24/14/1065812414.db2.gz MYRJOWBCHYRKJM-LJQANCHMSA-N 1 1 476.065 4.809 20 0 JJADMO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CC1(C)CCC1 ZINC001360756016 1065812430 /nfs/dbraw/zinc/81/24/30/1065812430.db2.gz MYRJOWBCHYRKJM-LJQANCHMSA-N 1 1 476.065 4.809 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCOC(F)F)CC1 ZINC001360759074 1065827852 /nfs/dbraw/zinc/82/78/52/1065827852.db2.gz XUEGCHOJWWSPLX-QGZVFWFLSA-N 1 1 471.980 4.621 20 0 JJADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CC[N@H+]1CCC[C@@H]1C ZINC001360760709 1065834084 /nfs/dbraw/zinc/83/40/84/1065834084.db2.gz ROWGSMUCONFMNS-FHWLQOOXSA-N 1 1 462.038 4.560 20 0 JJADMO CC(C)[NH+](CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2CCCC[C@H]2C1)C(C)C ZINC001360761173 1065836870 /nfs/dbraw/zinc/83/68/70/1065836870.db2.gz ZVRFWBWOIQEVAU-GGAORHGYSA-N 1 1 489.108 4.865 20 0 JJADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001360762116 1065837921 /nfs/dbraw/zinc/83/79/21/1065837921.db2.gz ABBWHSKNHJZRGH-GBESFXJTSA-N 1 1 494.105 4.513 20 0 JJADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001360762116 1065837946 /nfs/dbraw/zinc/83/79/46/1065837946.db2.gz ABBWHSKNHJZRGH-GBESFXJTSA-N 1 1 494.105 4.513 20 0 JJADMO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360762850 1065841407 /nfs/dbraw/zinc/84/14/07/1065841407.db2.gz LXUFFOQSOSFKOS-HSALFYBXSA-N 1 1 476.065 4.807 20 0 JJADMO C[C@@H](Oc1cccc(Cl)c1)c1nnc(Nc2ccn(C)n2)n1CC[N@@H+](C)C1CCCCC1 ZINC001360763185 1065842623 /nfs/dbraw/zinc/84/26/23/1065842623.db2.gz RPOUIEHDHDFTDW-QGZVFWFLSA-N 1 1 458.010 4.813 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CCc1sccc1C ZINC001545924064 1065855178 /nfs/dbraw/zinc/85/51/78/1065855178.db2.gz OTMATPIOTNPPST-OAQYLSRUSA-N 1 1 494.709 4.520 20 0 JJADMO C[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(Cl)=C(Cl)C1)[N@@H+](C)C1CC1 ZINC001360769619 1065862628 /nfs/dbraw/zinc/86/26/28/1065862628.db2.gz LDSINTJOBHYKRH-GJZGRUSLSA-N 1 1 468.404 4.939 20 0 JJADMO CC(C)[N@@H+](C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(n2cc(Cl)cn2)CC1 ZINC001360770062 1065864696 /nfs/dbraw/zinc/86/46/96/1065864696.db2.gz SFMJACONZGYIDF-GOSISDBHSA-N 1 1 490.027 4.589 20 0 JJADMO CC(=O)CCc1ccc(OCC(=O)N[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC001439755975 1065870969 /nfs/dbraw/zinc/87/09/69/1065870969.db2.gz BGOJBQZBIJWQBZ-MFMCTBQISA-N 1 1 470.613 4.762 20 0 JJADMO CC1CCN(C(=S)SCC(=O)N[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC001439757970 1065871784 /nfs/dbraw/zinc/87/17/84/1065871784.db2.gz QCYGWYOIWNDXCT-RPLLCQBOSA-N 1 1 481.731 4.911 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2CC(F)(F)C2)CC1 ZINC001360775023 1065875993 /nfs/dbraw/zinc/87/59/93/1065875993.db2.gz WSSNZEZLIZXZAF-KRWDZBQOSA-N 1 1 451.537 4.523 20 0 JJADMO Cc1ccc(C(=O)N[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C(C)C)cc1 ZINC001439818893 1065881329 /nfs/dbraw/zinc/88/13/29/1065881329.db2.gz LFKLNNCZSTUZST-UPRLRBBYSA-N 1 1 469.629 4.534 20 0 JJADMO CC(=O)N(Cc1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1)C1CC1 ZINC001360799534 1065910625 /nfs/dbraw/zinc/91/06/25/1065910625.db2.gz GJRCUJKWLWIMOL-XMMPIXPASA-N 1 1 459.512 4.591 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCCCCC3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001360808048 1065920117 /nfs/dbraw/zinc/92/01/17/1065920117.db2.gz DKJPDYFNIDOLBH-JOCHJYFZSA-N 1 1 488.721 4.895 20 0 JJADMO CC(C)(C)[C@H]1CCN(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001360807901 1065920207 /nfs/dbraw/zinc/92/02/07/1065920207.db2.gz BJVATOULMFVXOV-FQEVSTJZSA-N 1 1 457.638 4.991 20 0 JJADMO CC(C)(C)c1nnc(N2Cc3ccc(Br)cc3C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360808281 1065921020 /nfs/dbraw/zinc/92/10/20/1065921020.db2.gz JEVAUZARQXTGLT-UHFFFAOYSA-N 1 1 460.464 4.980 20 0 JJADMO CC(C)(C)[C@@]1(C)CN(c2nnc(-c3ccccc3F)n2CC[N@H+]2CCCC(C)(C)C2)CCO1 ZINC001360808528 1065921366 /nfs/dbraw/zinc/92/13/66/1065921366.db2.gz OPNALXSZSMXDET-AREMUKBSSA-N 1 1 457.638 4.848 20 0 JJADMO CC(C)(C)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CCCC(C)(C)C2)CCO1 ZINC001360808493 1065921424 /nfs/dbraw/zinc/92/14/24/1065921424.db2.gz NHYGYVZETZGVGO-OAQYLSRUSA-N 1 1 460.066 4.972 20 0 JJADMO CC(C)(C)[C@]1(C)CN(c2nnc(-c3ccccc3F)n2CC[N@H+]2CCCC(C)(C)C2)CCO1 ZINC001360808529 1065922064 /nfs/dbraw/zinc/92/20/64/1065922064.db2.gz OPNALXSZSMXDET-SANMLTNESA-N 1 1 457.638 4.848 20 0 JJADMO CC1(C)CCC[N@@H+](CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCCCCCC2)C1 ZINC001360808620 1065922259 /nfs/dbraw/zinc/92/22/59/1065922259.db2.gz QFGPORMTPPXAOP-UHFFFAOYSA-N 1 1 487.092 4.754 20 0 JJADMO CC(C)(C)O[C@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001360808967 1065923235 /nfs/dbraw/zinc/92/32/35/1065923235.db2.gz XXRSVRUHJPPQIY-DEOSSOPVSA-N 1 1 483.701 4.806 20 0 JJADMO O=C(Nc1nn(CC(F)F)c2ccccc21)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001440205776 1065923663 /nfs/dbraw/zinc/92/36/63/1065923663.db2.gz COGVBGZTIKMLML-OAQYLSRUSA-N 1 1 452.427 4.695 20 0 JJADMO COc1ccc(Br)cc1C1(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001440374557 1065934233 /nfs/dbraw/zinc/93/42/33/1065934233.db2.gz MEWLVDLWFJZWSS-SFHVURJKSA-N 1 1 451.792 4.562 20 0 JJADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@]2(C)CCCO2)CC1 ZINC001360834174 1065945644 /nfs/dbraw/zinc/94/56/44/1065945644.db2.gz BEBWUOATWDEVOL-NRFANRHFSA-N 1 1 482.492 4.649 20 0 JJADMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccccc1NCCc1ccc(Cl)cc1 ZINC001440561999 1065949769 /nfs/dbraw/zinc/94/97/69/1065949769.db2.gz PQNCRXCNXCGRNA-UHFFFAOYSA-N 1 1 456.030 4.760 20 0 JJADMO C[N@@H+](CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)C1CCCCC1 ZINC001440567585 1065950706 /nfs/dbraw/zinc/95/07/06/1065950706.db2.gz YUFOQDOZUWRRTE-UHFFFAOYSA-N 1 1 450.004 4.734 20 0 JJADMO C[NH+]1CCN(Cc2ccc(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)s2)CC1 ZINC001440656095 1065959060 /nfs/dbraw/zinc/95/90/60/1065959060.db2.gz FXRHVTADGWWFQD-UHFFFAOYSA-N 1 1 451.436 4.785 20 0 JJADMO CC1=C(Br)CN(c2nnc(C(C)C)n2C[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CC1 ZINC001360850515 1065961110 /nfs/dbraw/zinc/96/11/10/1065961110.db2.gz HEZYSVOAGSILCI-IRXDYDNUSA-N 1 1 482.467 4.955 20 0 JJADMO CC1=C(Br)CN(c2nnc(C(C)C)n2C[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CC1 ZINC001360850515 1065961123 /nfs/dbraw/zinc/96/11/23/1065961123.db2.gz HEZYSVOAGSILCI-IRXDYDNUSA-N 1 1 482.467 4.955 20 0 JJADMO CC1=C(Br)CN(c2nnc(-c3ccc[nH]3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001360851098 1065963222 /nfs/dbraw/zinc/96/32/22/1065963222.db2.gz AQGHMPLPDOXHAO-HDICACEKSA-N 1 1 475.479 4.910 20 0 JJADMO C[N@@H+]1CCC[C@H]1c1cc(C(=O)Nc2ccc(COc3ccc(Br)cc3)cc2)n[nH]1 ZINC001440703284 1065967969 /nfs/dbraw/zinc/96/79/69/1065967969.db2.gz FXSBWJGMTSVJAR-NRFANRHFSA-N 1 1 455.356 4.770 20 0 JJADMO C[N@H+]1CCC[C@H]1c1cc(C(=O)Nc2ccc(COc3ccc(Br)cc3)cc2)n[nH]1 ZINC001440703284 1065967981 /nfs/dbraw/zinc/96/79/81/1065967981.db2.gz FXSBWJGMTSVJAR-NRFANRHFSA-N 1 1 455.356 4.770 20 0 JJADMO CC1=C(Br)CN(c2nnc(CC(C)C)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001360853605 1065970342 /nfs/dbraw/zinc/97/03/42/1065970342.db2.gz IHGMOIVCHPUTEN-HDICACEKSA-N 1 1 452.485 4.724 20 0 JJADMO Cc1cccc(-c2nnc(N3CCC(C)=C(Br)C3)n2CC[N@H+](C)Cc2ccc(F)cc2)n1 ZINC001360853707 1065970611 /nfs/dbraw/zinc/97/06/11/1065970611.db2.gz NVCAADQNDJLVLY-UHFFFAOYSA-N 1 1 499.432 4.799 20 0 JJADMO CC1=C(Br)CN(c2nnc(CC3CC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001360854288 1065973245 /nfs/dbraw/zinc/97/32/45/1065973245.db2.gz UHTHYLAWQVRMCE-INIZCTEOSA-N 1 1 450.469 4.620 20 0 JJADMO O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)N1CC[NH+](CCc2ccccc2)CC1 ZINC001440762723 1065977499 /nfs/dbraw/zinc/97/74/99/1065977499.db2.gz FOXGLYRPRVYVDA-UHFFFAOYSA-N 1 1 459.537 4.758 20 0 JJADMO Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCCC[N@@H+]2CCC[C@H](C)C2)c1C ZINC001360862827 1065981285 /nfs/dbraw/zinc/98/12/85/1065981285.db2.gz XUXXXTUJMGQXES-FQEVSTJZSA-N 1 1 468.690 4.779 20 0 JJADMO C[C@@H]1C[N@H+](CCCNC(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)C[C@H](C)O1 ZINC001440826756 1065982092 /nfs/dbraw/zinc/98/20/92/1065982092.db2.gz NNXACICWTYIYSC-HYFFOGBASA-N 1 1 451.007 4.928 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H](C)CC(N)=O)n2C[C@@H]2CCC[N@H+]2C2CCCCC2)c1C ZINC001360865606 1065985367 /nfs/dbraw/zinc/98/53/67/1065985367.db2.gz FKVWSTZFRLYBFK-FJIJXJHWSA-N 1 1 496.700 4.532 20 0 JJADMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3sc(C)cc3OCc3ccccc3)CC2)cc1 ZINC001440869583 1065986248 /nfs/dbraw/zinc/98/62/48/1065986248.db2.gz DGGQYCUWKOHRHO-UHFFFAOYSA-N 1 1 450.604 4.992 20 0 JJADMO COc1ccc(C[N@H+]2CCCN(C(=O)c3sc(C)cc3OCc3ccccc3)CC2)cc1 ZINC001440869583 1065986255 /nfs/dbraw/zinc/98/62/55/1065986255.db2.gz DGGQYCUWKOHRHO-UHFFFAOYSA-N 1 1 450.604 4.992 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)CC(F)(F)F)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC001360866152 1065987395 /nfs/dbraw/zinc/98/73/95/1065987395.db2.gz NJSCTSYHOPZNSW-WSTZPKSXSA-N 1 1 497.606 4.921 20 0 JJADMO Cc1noc(C)c1CN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001360866678 1065989708 /nfs/dbraw/zinc/98/97/08/1065989708.db2.gz XGNCTUMAEYJEBO-DYESRHJHSA-N 1 1 466.630 4.759 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3cnn(C)c3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)c1C ZINC001360868367 1065991781 /nfs/dbraw/zinc/99/17/81/1065991781.db2.gz CJOBCKPUCIRJEL-DNQXCXABSA-N 1 1 493.700 4.773 20 0 JJADMO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N(C)CC(=O)Nc2ccccc2Cl)c1 ZINC001440907740 1065993520 /nfs/dbraw/zinc/99/35/20/1065993520.db2.gz NVLAHLLHADKXSL-BJKOFHAPSA-N 1 1 476.020 4.961 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccon3)n2C[C@H]2CCC[N@H+](C(C)C)C2)c1C ZINC001360869271 1065997064 /nfs/dbraw/zinc/99/70/64/1065997064.db2.gz NMLKJZVSJDXSHQ-YADHBBJMSA-N 1 1 466.630 4.780 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)CCc3cnccn3)n2CC[N@H+]2CCCC(C)(C)C2)c1C ZINC001360869244 1065997124 /nfs/dbraw/zinc/99/71/24/1065997124.db2.gz NERXSHJLVZCQTA-HSZRJFAPSA-N 1 1 491.684 4.626 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ncc(Cl)n3C)n2CC[N@H+]2CCC[C@H]2C)c1C ZINC001360869367 1065997569 /nfs/dbraw/zinc/99/75/69/1065997569.db2.gz OHVJNGUQPXMZFY-UYAOXDASSA-N 1 1 486.064 4.543 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)C[C@H]3CCCCO3)n2CC[N@@H+](C)C2CCCC2)c1C ZINC001360870564 1066002853 /nfs/dbraw/zinc/00/28/53/1066002853.db2.gz YFEASOLOVHTYQK-LADGPHEKSA-N 1 1 469.674 4.915 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccco3)n2CC[N@H+]2CCC[C@H](C)C2)c1C ZINC001360870775 1066003828 /nfs/dbraw/zinc/00/38/28/1066003828.db2.gz ZBCRISQTYAOSDS-UGKGYDQZSA-N 1 1 451.615 4.996 20 0 JJADMO CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001441062085 1066004883 /nfs/dbraw/zinc/00/48/83/1066004883.db2.gz RTUZOUWCBXGEIX-NTKDMRAZSA-N 1 1 454.590 4.520 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCC[N@H+](C4CCCC4)CC3)n2C[C@@](C)(O)C(C)C)c1C ZINC001360873255 1066008372 /nfs/dbraw/zinc/00/83/72/1066008372.db2.gz DFVFPLFZJMLJLL-QDPGVEIFSA-N 1 1 483.701 4.897 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCCCCC3)n2CCCC[N@H+]2CCC[C@H]2CO)c1C ZINC001360873562 1066009232 /nfs/dbraw/zinc/00/92/32/1066009232.db2.gz FPDCOGNSNPHOEP-RPWUZVMVSA-N 1 1 469.674 4.652 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCCCCC3)n2CCCC[N@H+]2CCC[C@H]2CO)c1C ZINC001360873563 1066009321 /nfs/dbraw/zinc/00/93/21/1066009321.db2.gz FPDCOGNSNPHOEP-ZEQRLZLVSA-N 1 1 469.674 4.652 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCCC[C@H](C)C3)n2CCCC[N@H+]2CCC[C@@H]2CO)c1C ZINC001360873970 1066011283 /nfs/dbraw/zinc/01/12/83/1066011283.db2.gz IYLUDAMJTIMILT-FTBPSBKWSA-N 1 1 483.701 4.898 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H]3C(C)C)n2C[C@H](C)C[NH+]2CCOCC2)c1C ZINC001360873967 1066011405 /nfs/dbraw/zinc/01/14/05/1066011405.db2.gz IVLRUSBSOJQYNZ-HUVFLSCGSA-N 1 1 469.674 4.628 20 0 JJADMO CC[C@](O)(CC(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC001441173256 1066011428 /nfs/dbraw/zinc/01/14/28/1066011428.db2.gz POTNCEXEJPTVLY-LJAQVGFWSA-N 1 1 457.618 4.631 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2Cc2ccc(F)cn2)c1C ZINC001360874739 1066014835 /nfs/dbraw/zinc/01/48/35/1066014835.db2.gz OIQIWCNZDPVRIT-OAQYLSRUSA-N 1 1 480.632 4.928 20 0 JJADMO CC(C)(C)OC(=O)NC[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCCCC1 ZINC001441220168 1066016122 /nfs/dbraw/zinc/01/61/22/1066016122.db2.gz BMEVUYKMWUPFQS-ZEQRLZLVSA-N 1 1 457.659 4.879 20 0 JJADMO CN1CC[N@@H+](CCCNC(=O)C[C@H](Cc2ccccc2)c2ccccc2)[C@H](c2ccccc2)C1 ZINC001441238078 1066018016 /nfs/dbraw/zinc/01/80/16/1066018016.db2.gz FPIAACWSCMEIHB-VMPREFPWSA-N 1 1 455.646 4.898 20 0 JJADMO C[N@@H+]1CCN(CCCNC(=O)C[C@H](Cc2ccccc2)c2ccccc2)[C@H](c2ccccc2)C1 ZINC001441238078 1066018026 /nfs/dbraw/zinc/01/80/26/1066018026.db2.gz FPIAACWSCMEIHB-VMPREFPWSA-N 1 1 455.646 4.898 20 0 JJADMO C[N@H+]1CCN(CCCNC(=O)C[C@H](Cc2ccccc2)c2ccccc2)[C@H](c2ccccc2)C1 ZINC001441238078 1066018038 /nfs/dbraw/zinc/01/80/38/1066018038.db2.gz FPIAACWSCMEIHB-VMPREFPWSA-N 1 1 455.646 4.898 20 0 JJADMO CC[C@@H](CNC(=O)c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC001441241295 1066019046 /nfs/dbraw/zinc/01/90/46/1066019046.db2.gz NTQUVEKZZVJBLE-DVECYGJZSA-N 1 1 451.611 4.839 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCN(C(C)C)CC3)n2C[C@H](CC(C)C)[NH+](C)C)c1C ZINC001360876719 1066021066 /nfs/dbraw/zinc/02/10/66/1066021066.db2.gz AGIIVRRHZPNLFE-RPWUZVMVSA-N 1 1 470.706 4.542 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2CCCC(F)(F)F)c1C ZINC001360876853 1066021681 /nfs/dbraw/zinc/02/16/81/1066021681.db2.gz CBTQLMAGDWORLN-RTWAWAEBSA-N 1 1 495.590 4.678 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](Cc4ccsc4)CC3)n2C[C@](C)(O)C(C)C)c1C ZINC001360878286 1066025333 /nfs/dbraw/zinc/02/53/33/1066025333.db2.gz TZDMKBOPAYLVPS-AMGIVPHBSA-N 1 1 497.709 4.826 20 0 JJADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001441353733 1066032573 /nfs/dbraw/zinc/03/25/73/1066032573.db2.gz JEXWMPNTZPWOBC-OFNKIYASSA-N 1 1 455.643 4.714 20 0 JJADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc3cncc(Br)c3n2)cc1 ZINC001441355868 1066033045 /nfs/dbraw/zinc/03/30/45/1066033045.db2.gz BXSIDIVPYVVXGJ-MRXNPFEDSA-N 1 1 453.384 4.697 20 0 JJADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)cc1 ZINC001441375713 1066036572 /nfs/dbraw/zinc/03/65/72/1066036572.db2.gz NCGYFBMRSFRFEB-KRWDZBQOSA-N 1 1 457.500 4.591 20 0 JJADMO CC1=C(C)CN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001360885026 1066039549 /nfs/dbraw/zinc/03/95/49/1066039549.db2.gz PJRWGZHMKYZGMF-QHCPKHFHSA-N 1 1 467.658 4.637 20 0 JJADMO CC1=C(C)CN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001360885026 1066039562 /nfs/dbraw/zinc/03/95/62/1066039562.db2.gz PJRWGZHMKYZGMF-QHCPKHFHSA-N 1 1 467.658 4.637 20 0 JJADMO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC001441441397 1066041349 /nfs/dbraw/zinc/04/13/49/1066041349.db2.gz AUTUKNJNYWOGJB-UHFFFAOYSA-N 1 1 457.372 4.812 20 0 JJADMO COc1cccc(N(CC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C(=O)OC(C)(C)C)c1 ZINC001441446484 1066041608 /nfs/dbraw/zinc/04/16/08/1066041608.db2.gz PFIUSBHFEDUOKV-UHFFFAOYSA-N 1 1 455.599 4.593 20 0 JJADMO Nc1ccc(Br)cc1C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001441474174 1066044608 /nfs/dbraw/zinc/04/46/08/1066044608.db2.gz PSXPUAFWERJAPJ-FQEVSTJZSA-N 1 1 456.409 4.622 20 0 JJADMO Nc1ccc(Br)cc1C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001441474174 1066044617 /nfs/dbraw/zinc/04/46/17/1066044617.db2.gz PSXPUAFWERJAPJ-FQEVSTJZSA-N 1 1 456.409 4.622 20 0 JJADMO C[C@H](CNC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC001441509030 1066047392 /nfs/dbraw/zinc/04/73/92/1066047392.db2.gz OKEJDPRGRXIJIE-HXUWFJFHSA-N 1 1 459.556 4.844 20 0 JJADMO Cc1nc(CCn2c(CC(C)(C)C)nnc2N2CCC[N@@H+](Cc3ccccc3)CC2)sc1C ZINC001360899841 1066053179 /nfs/dbraw/zinc/05/31/79/1066053179.db2.gz SMITYKFSFSRHFA-UHFFFAOYSA-N 1 1 466.699 4.895 20 0 JJADMO Cc1nc(N2CCN(c3nnc(C(C)C)n3CC[C@@H](C)[N@@H+](C)Cc3ccccc3)CC2)sc1C ZINC001360905189 1066059059 /nfs/dbraw/zinc/05/90/59/1066059059.db2.gz MGPWHGLUEPXCOH-HXUWFJFHSA-N 1 1 481.714 4.712 20 0 JJADMO Cc1nc(N2CCN(c3nnc(C(C)C)n3CC[C@H](C)[N@@H+](C)Cc3ccccc3)CC2)sc1C ZINC001360905188 1066059140 /nfs/dbraw/zinc/05/91/40/1066059140.db2.gz MGPWHGLUEPXCOH-FQEVSTJZSA-N 1 1 481.714 4.712 20 0 JJADMO COc1cc([C@@H](C)NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)ccc1OCc1ccncc1 ZINC001441694460 1066062188 /nfs/dbraw/zinc/06/21/88/1066062188.db2.gz ZFRWDZJESMMYPZ-MZNJEOGPSA-N 1 1 453.970 4.803 20 0 JJADMO Cc1ccccc1-n1ncc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C(F)(F)F ZINC001360909437 1066065883 /nfs/dbraw/zinc/06/58/83/1066065883.db2.gz RZZYMLLKCLQYSX-HXUWFJFHSA-N 1 1 456.512 4.794 20 0 JJADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)[C@@H](C)C1 ZINC001360913834 1066070310 /nfs/dbraw/zinc/07/03/10/1066070310.db2.gz KDTVIPOSRKRAKB-KKSFZXQISA-N 1 1 458.400 4.504 20 0 JJADMO COc1cc([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)ccc1OCc1ccccc1 ZINC001441874133 1066076148 /nfs/dbraw/zinc/07/61/48/1066076148.db2.gz ZETSSTYCKRMWKA-SQJMNOBHSA-N 1 1 459.590 4.901 20 0 JJADMO COc1cc([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)ccc1OCc1ccccc1 ZINC001441874133 1066076159 /nfs/dbraw/zinc/07/61/59/1066076159.db2.gz ZETSSTYCKRMWKA-SQJMNOBHSA-N 1 1 459.590 4.901 20 0 JJADMO Cc1ncsc1CCn1c(CC(C)(C)C)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001360923429 1066079083 /nfs/dbraw/zinc/07/90/83/1066079083.db2.gz STAAQSIOXORNFB-NRFANRHFSA-N 1 1 452.672 4.585 20 0 JJADMO CCN(C(=O)COc1ccc(C(=O)c2ccccc2)cc1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001442072576 1066090260 /nfs/dbraw/zinc/09/02/60/1066090260.db2.gz LCGDVDKSILBIIN-GJZUVCINSA-N 1 1 456.586 4.980 20 0 JJADMO C[N@@H+](Cc1ccccc1CNC(=O)[C@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2)C1CCCCC1 ZINC001442078261 1066090615 /nfs/dbraw/zinc/09/06/15/1066090615.db2.gz KYBJXFKPEZOQIO-CUNXSJBXSA-N 1 1 455.643 4.714 20 0 JJADMO C[N@@H+](Cc1ccccc1CNC(=O)CCN1C(=O)CCc2cc(F)ccc21)C1CCCCC1 ZINC001442081917 1066091247 /nfs/dbraw/zinc/09/12/47/1066091247.db2.gz WRDBBSDCXCGWEF-UHFFFAOYSA-N 1 1 451.586 4.576 20 0 JJADMO C[N@@H+](Cc1ccccc1CNC(=O)[C@H]1C[C@@]12CCN(C(=O)OC(C)(C)C)C2)C1CCCCC1 ZINC001442082224 1066091461 /nfs/dbraw/zinc/09/14/61/1066091461.db2.gz XZNNNVASIJAVBR-YIXXDRMTSA-N 1 1 455.643 4.714 20 0 JJADMO Cc1occc1CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[N@@H+]1CCOCC1(C)C ZINC001360934740 1066093330 /nfs/dbraw/zinc/09/33/30/1066093330.db2.gz KGKFWANISJTTEA-UHFFFAOYSA-N 1 1 478.424 4.901 20 0 JJADMO Cc1occc1CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[N@H+]1CCOCC1(C)C ZINC001360934740 1066093337 /nfs/dbraw/zinc/09/33/37/1066093337.db2.gz KGKFWANISJTTEA-UHFFFAOYSA-N 1 1 478.424 4.901 20 0 JJADMO Cc1c(CN(C)c2nnc(-c3ccccc3Cl)n2CCCC[N@@H+]2CCCC[C@H]2C)cnn1C ZINC001360935394 1066095173 /nfs/dbraw/zinc/09/51/73/1066095173.db2.gz IVWRGSMLXSQASD-LJQANCHMSA-N 1 1 470.065 4.931 20 0 JJADMO CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12 ZINC001442129974 1066097209 /nfs/dbraw/zinc/09/72/09/1066097209.db2.gz CMVIKLYPQFIKNK-NRFANRHFSA-N 1 1 451.611 4.609 20 0 JJADMO COc1ccc([C@@H](NC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)c2ccc(F)cc2)cc1 ZINC001442149676 1066097730 /nfs/dbraw/zinc/09/77/30/1066097730.db2.gz JGPQINTWIMUWFE-DEOSSOPVSA-N 1 1 453.583 4.717 20 0 JJADMO Cc1ncsc1CN(C)c1nnc(Cc2c(F)cccc2F)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360944595 1066099340 /nfs/dbraw/zinc/09/93/40/1066099340.db2.gz BTJQNHBRZFGTQI-UHFFFAOYSA-N 1 1 474.625 4.670 20 0 JJADMO Cc1c(CN(C)c2nnc(CC3CCCC3)n2Cc2ccccc2C[N@H+](C)C(C)C)cnn1C ZINC001360947473 1066102303 /nfs/dbraw/zinc/10/23/03/1066102303.db2.gz MWUBLDCXPZYUFU-UHFFFAOYSA-N 1 1 463.674 4.578 20 0 JJADMO Cc1occc1CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@@H+](C)Cc1ccccc1 ZINC001360949322 1066104325 /nfs/dbraw/zinc/10/43/25/1066104325.db2.gz CAUXQVLLSRZAEG-DNQXCXABSA-N 1 1 465.642 4.867 20 0 JJADMO O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001360951823 1066108563 /nfs/dbraw/zinc/10/85/63/1066108563.db2.gz KNTKIOXLTHVYRE-DFQSSKMNSA-N 1 1 452.467 4.981 20 0 JJADMO O=C(c1ccc(-c2ccccc2OC(F)(F)F)o1)N1CC[NH+](CCc2cccs2)CC1 ZINC001442265131 1066110251 /nfs/dbraw/zinc/11/02/51/1066110251.db2.gz RTCHXULFVFSVLV-UHFFFAOYSA-N 1 1 450.482 4.907 20 0 JJADMO O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)c1ncoc1-c1ccccc1Cl ZINC001442298402 1066112818 /nfs/dbraw/zinc/11/28/18/1066112818.db2.gz UHWXVIBVTINSDZ-UHFFFAOYSA-N 1 1 459.377 4.591 20 0 JJADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1cccc2cccc(Br)c21 ZINC001360956662 1066112969 /nfs/dbraw/zinc/11/29/69/1066112969.db2.gz PJOXZKAOWKUSIJ-SFHVURJKSA-N 1 1 452.396 4.543 20 0 JJADMO C[N@@H+](CCNC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)C1CCCCC1 ZINC001442337270 1066118114 /nfs/dbraw/zinc/11/81/14/1066118114.db2.gz NDAPCBUUCWWUAA-UHFFFAOYSA-N 1 1 458.400 4.696 20 0 JJADMO Cc1ccoc1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001360960531 1066119734 /nfs/dbraw/zinc/11/97/34/1066119734.db2.gz PHRKHSJSRNDDPI-CALCHBBNSA-N 1 1 478.424 4.747 20 0 JJADMO Cc1ccoc1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001360960531 1066119742 /nfs/dbraw/zinc/11/97/42/1066119742.db2.gz PHRKHSJSRNDDPI-CALCHBBNSA-N 1 1 478.424 4.747 20 0 JJADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 ZINC001360961446 1066120635 /nfs/dbraw/zinc/12/06/35/1066120635.db2.gz KAXAFAHCFLZJBR-DEOSSOPVSA-N 1 1 455.602 4.947 20 0 JJADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN(C(=O)c1ccccc1)c1ccccc1 ZINC001360961141 1066120648 /nfs/dbraw/zinc/12/06/48/1066120648.db2.gz BHMBPDWWARXURH-RUZDIDTESA-N 1 1 455.602 4.704 20 0 JJADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCCOc1ccccc1Br ZINC001360961126 1066120688 /nfs/dbraw/zinc/12/06/88/1066120688.db2.gz ARZWSILICFRZDO-OAQYLSRUSA-N 1 1 459.428 4.979 20 0 JJADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1csc(COc2ccc(F)cc2)n1 ZINC001360961490 1066121124 /nfs/dbraw/zinc/12/11/24/1066121124.db2.gz LCVXEDVIPIAXAV-FQEVSTJZSA-N 1 1 453.583 4.845 20 0 JJADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(c2cc(F)cc(Br)c2)CC1 ZINC001360961463 1066121255 /nfs/dbraw/zinc/12/12/55/1066121255.db2.gz KJSCDBCAASYHMC-IBGZPJMESA-N 1 1 459.403 4.990 20 0 JJADMO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(C(F)(F)F)[nH]n1)[NH+](C)C ZINC001442465358 1066128060 /nfs/dbraw/zinc/12/80/60/1066128060.db2.gz MUIMAKFUXAZSLN-MRXNPFEDSA-N 1 1 451.320 4.964 20 0 JJADMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1nc(C)c2c1nc(C(C)C)cc2C(F)(F)F ZINC001442527848 1066133622 /nfs/dbraw/zinc/13/36/22/1066133622.db2.gz NJHOFBKQXRLVJI-QGZVFWFLSA-N 1 1 453.553 4.653 20 0 JJADMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1c(O)cnc2c(Br)cccc21 ZINC001442548558 1066135810 /nfs/dbraw/zinc/13/58/10/1066135810.db2.gz CMHCAYFZWVBHMN-UHFFFAOYSA-N 1 1 458.381 4.504 20 0 JJADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cccn2C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001442657991 1066148225 /nfs/dbraw/zinc/14/82/25/1066148225.db2.gz GVUOPMJRZHJGLL-RZUBCFFCSA-N 1 1 458.647 4.538 20 0 JJADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001360985589 1066148501 /nfs/dbraw/zinc/14/85/01/1066148501.db2.gz GLFXUHRTBUDESC-REWPJTCUSA-N 1 1 496.700 4.722 20 0 JJADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCCC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001360986269 1066150249 /nfs/dbraw/zinc/15/02/49/1066150249.db2.gz ZCZCUWBIPBLOPF-SZPZYZBQSA-N 1 1 496.700 4.515 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@@H]1CCOC1 ZINC001360986304 1066150741 /nfs/dbraw/zinc/15/07/41/1066150741.db2.gz AHEALPPDTNEWFH-FPOVZHCZSA-N 1 1 487.048 4.756 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CC1CC1 ZINC001360986735 1066154334 /nfs/dbraw/zinc/15/43/34/1066154334.db2.gz KVIJZQVPIFIDCT-FQEVSTJZSA-N 1 1 490.092 4.893 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CC(C)C ZINC001360989480 1066161415 /nfs/dbraw/zinc/16/14/15/1066161415.db2.gz FUNHTHXQZOBKSN-NHCUHLMSSA-N 1 1 476.065 4.503 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@H](C(C)C)C2)n1CCC[NH+]1CCOCC1 ZINC001360989665 1066162820 /nfs/dbraw/zinc/16/28/20/1066162820.db2.gz IWKCNQHRHLDLDR-VXKWHMMOSA-N 1 1 490.092 4.893 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)[C@@H](C)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001360990212 1066166456 /nfs/dbraw/zinc/16/64/56/1066166456.db2.gz RCKOVOFHIPYIBV-NNXSRULWSA-N 1 1 490.092 4.627 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCCCCCO ZINC001360991644 1066170267 /nfs/dbraw/zinc/17/02/67/1066170267.db2.gz DQCMFKMDFMBOLS-GMAHTHKFSA-N 1 1 490.092 4.916 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCOCC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001360992291 1066171532 /nfs/dbraw/zinc/17/15/32/1066171532.db2.gz MLAINAIPBXIKHX-FGZHOGPDSA-N 1 1 490.092 4.893 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCOCC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001360992293 1066171568 /nfs/dbraw/zinc/17/15/68/1066171568.db2.gz MLAINAIPBXIKHX-YADHBBJMSA-N 1 1 490.092 4.893 20 0 JJADMO Cc1[nH+]ccn1CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCOC(C)(C)[C@H]1C ZINC001360992696 1066172311 /nfs/dbraw/zinc/17/23/11/1066172311.db2.gz RFYKNPPVCHOKRS-RTBURBONSA-N 1 1 487.048 4.897 20 0 JJADMO Cc1cc(C(=O)NC2CCN(c3nnc(C(C)C)n3C[C@H](C)[N@@H+](C)Cc3ccccc3)CC2)c(C)o1 ZINC001360994387 1066173633 /nfs/dbraw/zinc/17/36/33/1066173633.db2.gz JQGRHOWFWSZZGX-FQEVSTJZSA-N 1 1 492.668 4.531 20 0 JJADMO C[N@H+]1CCC[C@H](CNC(=O)[C@H](NC(=O)OCc2ccccc2)C(C)(C)C)[C@H]1c1cccs1 ZINC001360996945 1066175507 /nfs/dbraw/zinc/17/55/07/1066175507.db2.gz XAWVZZCJAPIKLU-HJNYFJLDSA-N 1 1 457.640 4.588 20 0 JJADMO Cc1cc(C(F)(F)F)ccc1Cn1c(C(C)C)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001361008653 1066190624 /nfs/dbraw/zinc/19/06/24/1066190624.db2.gz ZGKILOOICJGQHQ-UHFFFAOYSA-N 1 1 467.580 4.572 20 0 JJADMO Cc1cc(C)c(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@H+](CC(C)C)C2)c(C)c1 ZINC001361012457 1066198213 /nfs/dbraw/zinc/19/82/13/1066198213.db2.gz YPTFZNZMVCIWRF-QHCPKHFHSA-N 1 1 482.717 4.944 20 0 JJADMO Cc1cc(C)cc(CCn2c(Cc3cccnc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC001361017419 1066206301 /nfs/dbraw/zinc/20/63/01/1066206301.db2.gz SPLTXZUXKJQCPG-UHFFFAOYSA-N 1 1 460.670 4.680 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N(C)C3CCC(C)CC3)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001361017898 1066207307 /nfs/dbraw/zinc/20/73/07/1066207307.db2.gz FKSDXTOOHADMKZ-UHFFFAOYSA-N 1 1 469.674 4.600 20 0 JJADMO Cc1ncsc1CN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001361020749 1066211114 /nfs/dbraw/zinc/21/11/14/1066211114.db2.gz GJFAABXUTATGHX-JOCHJYFZSA-N 1 1 482.698 4.996 20 0 JJADMO Cc1occc1CN(C)c1nnc(COc2cc(C)cc(C)c2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001361020731 1066211154 /nfs/dbraw/zinc/21/11/54/1066211154.db2.gz FQTCPAMWXPPBCQ-IBGZPJMESA-N 1 1 451.615 4.744 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N(C)CCC(F)(F)F)n2C[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC001361022572 1066218692 /nfs/dbraw/zinc/21/86/92/1066218692.db2.gz VIKSRZMFYILBSC-HXUWFJFHSA-N 1 1 465.564 4.879 20 0 JJADMO CC[C@H](Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[N@H+](C2CCCC2)CC1)OC ZINC001545951985 1066223463 /nfs/dbraw/zinc/22/34/63/1066223463.db2.gz GCZIRZCIXZWWLZ-ISKFKSNPSA-N 1 1 469.674 4.915 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@H]2OCCC2(C)C)c1 ZINC001361026407 1066226104 /nfs/dbraw/zinc/22/61/04/1066226104.db2.gz BCNNPTQBWQEXSX-RUZDIDTESA-N 1 1 483.701 4.846 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CC[C@H](CC(C)C)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001361026833 1066227628 /nfs/dbraw/zinc/22/76/28/1066227628.db2.gz IANPXHDRDNRNMK-RSXGOPAZSA-N 1 1 483.701 4.703 20 0 JJADMO CC(C)(C)OC(=O)Nc1ccccc1CC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC001442842346 1066230699 /nfs/dbraw/zinc/23/06/99/1066230699.db2.gz NYDIHTOWDVMUAY-UHFFFAOYSA-N 1 1 451.611 4.743 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CC[C@@](C)([NH+]4CCOCC4)C3)n2CCCC(C)(C)C)c1 ZINC001361028342 1066232643 /nfs/dbraw/zinc/23/26/43/1066232643.db2.gz YFVZEAHGCLNGSR-HHHXNRCGSA-N 1 1 469.674 4.601 20 0 JJADMO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)/C=C\c3csc(C(F)(F)F)c3)C2)ccn1 ZINC001454006740 1066232788 /nfs/dbraw/zinc/23/27/88/1066232788.db2.gz BTBQLUJBONUYAO-HMECNJMJSA-N 1 1 453.530 4.695 20 0 JJADMO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3ccc(N4CCCCCC4)cc3)C2)ccn1 ZINC001454018302 1066235756 /nfs/dbraw/zinc/23/57/56/1066235756.db2.gz VJVTZPKDFAQUDJ-AREMUKBSSA-N 1 1 450.627 4.596 20 0 JJADMO CCCN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001442879710 1066236340 /nfs/dbraw/zinc/23/63/40/1066236340.db2.gz QVUSEFYTBHEWGL-DHIUTWEWSA-N 1 1 457.659 4.783 20 0 JJADMO CC[C@@]1(C)CC[C@H](Cn2c(Cc3ccsc3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)O1 ZINC001546056715 1066236152 /nfs/dbraw/zinc/23/61/52/1066236152.db2.gz JBJLZLCNRYBWNQ-RDGATRHJSA-N 1 1 459.704 4.835 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC001361031280 1066241726 /nfs/dbraw/zinc/24/17/26/1066241726.db2.gz MYJWAEMQMCBJCB-ZCYQVOJMSA-N 1 1 483.701 4.846 20 0 JJADMO CCC(CC)(C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1)c1ccc(Cl)cc1 ZINC001442927986 1066242555 /nfs/dbraw/zinc/24/25/55/1066242555.db2.gz ZUARMFNIIVDFKC-UHFFFAOYSA-N 1 1 455.002 4.788 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001454116390 1066246741 /nfs/dbraw/zinc/24/67/41/1066246741.db2.gz FUWOAYKMPILSGL-PKTZIBPZSA-N 1 1 455.643 4.585 20 0 JJADMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1nc(Br)sc1Cl ZINC001454124709 1066248686 /nfs/dbraw/zinc/24/86/86/1066248686.db2.gz XJVFISVHVVQESJ-AWEZNQCLSA-N 1 1 454.821 4.591 20 0 JJADMO CC[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1)OC ZINC001545953385 1066250546 /nfs/dbraw/zinc/25/05/46/1066250546.db2.gz XGZYQVOVGNCDFI-CNNODRBYSA-N 1 1 476.065 4.807 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001361038783 1066258561 /nfs/dbraw/zinc/25/85/61/1066258561.db2.gz OVJQEPXESCSWOC-ZCYQVOJMSA-N 1 1 469.674 4.600 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCOC(C)(C)C3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361038996 1066258950 /nfs/dbraw/zinc/25/89/50/1066258950.db2.gz VELTUUCNBJNXCY-PSWAGMNNSA-N 1 1 483.701 4.847 20 0 JJADMO Cc1ccc(C(=O)N2CC[N@H+](C)C(C)(C)CC2)cc1NC(=O)c1ccc(Br)cc1 ZINC001454265674 1066260217 /nfs/dbraw/zinc/26/02/17/1066260217.db2.gz FRKBPLHLTHBLHM-UHFFFAOYSA-N 1 1 458.400 4.566 20 0 JJADMO CC[C@@]1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546059134 1066261446 /nfs/dbraw/zinc/26/14/46/1066261446.db2.gz FNUHZCJYZCUIEZ-TYPXCFOJSA-N 1 1 496.700 4.661 20 0 JJADMO CC[C@@]1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546059134 1066261457 /nfs/dbraw/zinc/26/14/57/1066261457.db2.gz FNUHZCJYZCUIEZ-TYPXCFOJSA-N 1 1 496.700 4.661 20 0 JJADMO Cc1cc(C)cc(OCCn2c(Cc3ccccn3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC001361041688 1066265071 /nfs/dbraw/zinc/26/50/71/1066265071.db2.gz GUOLEIVAKFIGOY-UHFFFAOYSA-N 1 1 476.669 4.516 20 0 JJADMO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3c(F)ccc(C(F)(F)F)c3Br)C2)c1 ZINC001454307737 1066267606 /nfs/dbraw/zinc/26/76/06/1066267606.db2.gz CUSZXUURVWRWIL-AWEZNQCLSA-N 1 1 459.281 4.920 20 0 JJADMO CCOCCCn1c2ccccc2nc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC001443124904 1066270855 /nfs/dbraw/zinc/27/08/55/1066270855.db2.gz LFWRWHWECJVHSJ-HXUWFJFHSA-N 1 1 456.537 4.559 20 0 JJADMO CC[C@]1(C)CC[C@@H](Cn2c(CSc3ccccc3OC)nnc2N2CCC[N@H+](C(C)C)CC2)O1 ZINC001546059909 1066270898 /nfs/dbraw/zinc/27/08/98/1066270898.db2.gz SMUSSNJZKLDDKO-HFZDXXHNSA-N 1 1 487.714 4.847 20 0 JJADMO CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N2C[C@]3(C)C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)c1 ZINC001454394616 1066276503 /nfs/dbraw/zinc/27/65/03/1066276503.db2.gz BBEYJFQILTZRJC-MKPDMIMOSA-N 1 1 451.586 4.795 20 0 JJADMO Cc1cc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCSCC(C)C)c2ccccc2n1 ZINC001361048867 1066278982 /nfs/dbraw/zinc/27/89/82/1066278982.db2.gz LPLQNLGRIOBSMT-SZPZYZBQSA-N 1 1 496.725 4.736 20 0 JJADMO Cc1cc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCSCC(C)C)c2ccccc2n1 ZINC001361048867 1066278997 /nfs/dbraw/zinc/27/89/97/1066278997.db2.gz LPLQNLGRIOBSMT-SZPZYZBQSA-N 1 1 496.725 4.736 20 0 JJADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 ZINC001454404500 1066279346 /nfs/dbraw/zinc/27/93/46/1066279346.db2.gz UNGSSKOJUCPHIE-SVTDKJBASA-N 1 1 453.671 4.659 20 0 JJADMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C[C@H]2CC(=O)Nc3ccccc32)CC1 ZINC001443259969 1066285613 /nfs/dbraw/zinc/28/56/13/1066285613.db2.gz DBUVDARKNXZFGN-GOSISDBHSA-N 1 1 459.512 4.644 20 0 JJADMO COc1ccc(F)c(OC)c1C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001443266756 1066287294 /nfs/dbraw/zinc/28/72/94/1066287294.db2.gz OQTZNXHFHJWGBU-UHFFFAOYSA-N 1 1 454.464 4.598 20 0 JJADMO Cc1cc(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[N@H+]2CCC[C@@H](C)C2)no1 ZINC001361053191 1066288339 /nfs/dbraw/zinc/28/83/39/1066288339.db2.gz BMPCIWHXMGPBOS-IEBWSBKVSA-N 1 1 473.021 4.736 20 0 JJADMO O=C(N[C@H](CCO)c1cc(Cl)cc(Cl)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC001454480625 1066290636 /nfs/dbraw/zinc/29/06/36/1066290636.db2.gz QGRWAXUOKHIGPU-WOJBJXKFSA-N 1 1 457.348 4.691 20 0 JJADMO Cc1cc(CN(C)c2nnc(-c3ccc(Br)s3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)no1 ZINC001361054857 1066291595 /nfs/dbraw/zinc/29/15/95/1066291595.db2.gz IXNTUQCDPOJECY-CABCVRRESA-N 1 1 493.475 4.822 20 0 JJADMO Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C3)cc1 ZINC001443301883 1066292445 /nfs/dbraw/zinc/29/24/45/1066292445.db2.gz GDNUXOAFHVOFCP-SANMLTNESA-N 1 1 452.574 4.736 20 0 JJADMO CC(C)(C)c1ccc(C(=O)NCC(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)cc1 ZINC001443357375 1066300370 /nfs/dbraw/zinc/30/03/70/1066300370.db2.gz NZJVBNNUHWIGIG-QHCPKHFHSA-N 1 1 456.030 4.538 20 0 JJADMO C[C@@](O)(C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001443358087 1066301112 /nfs/dbraw/zinc/30/11/12/1066301112.db2.gz ORGAGDZFQSGGSS-UNMCSNQZSA-N 1 1 454.920 4.737 20 0 JJADMO C[C@@](O)(C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001443358087 1066301132 /nfs/dbraw/zinc/30/11/32/1066301132.db2.gz ORGAGDZFQSGGSS-UNMCSNQZSA-N 1 1 454.920 4.737 20 0 JJADMO CC[C@@H](Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)OC ZINC001545957434 1066302033 /nfs/dbraw/zinc/30/20/33/1066302033.db2.gz VULOMRYGUPOJAS-KRWDZBQOSA-N 1 1 492.089 4.785 20 0 JJADMO CC[C@@H](Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)OC ZINC001545957434 1066302048 /nfs/dbraw/zinc/30/20/48/1066302048.db2.gz VULOMRYGUPOJAS-KRWDZBQOSA-N 1 1 492.089 4.785 20 0 JJADMO CC(C)(C)OC(=O)C=Cc1cc(C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)co1 ZINC001443390329 1066305554 /nfs/dbraw/zinc/30/55/54/1066305554.db2.gz ZZGQDDZOFJXERZ-CSKARUKUSA-N 1 1 450.539 4.749 20 0 JJADMO CC[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C)NC(=O)OC(C)(C)C ZINC001545958365 1066309084 /nfs/dbraw/zinc/30/90/84/1066309084.db2.gz BMOWFBZHMNXWRH-UIFIKXQLSA-N 1 1 489.064 4.575 20 0 JJADMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)CC1(Cc2nc3ccccc3s2)CCCCC1 ZINC001443432349 1066310897 /nfs/dbraw/zinc/31/08/97/1066310897.db2.gz WOXNXLCRKFMGQF-UHFFFAOYSA-N 1 1 456.700 4.664 20 0 JJADMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)CC1(Cc2nc3ccccc3s2)CCCCC1 ZINC001443432349 1066310917 /nfs/dbraw/zinc/31/09/17/1066310917.db2.gz WOXNXLCRKFMGQF-UHFFFAOYSA-N 1 1 456.700 4.664 20 0 JJADMO CCNc1ncc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)cc1Cl ZINC001454630741 1066312569 /nfs/dbraw/zinc/31/25/69/1066312569.db2.gz AIVTWWVSJQUKCS-LADGPHEKSA-N 1 1 464.997 4.573 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)c2c(Cl)cncc2Cl)cc1 ZINC001454634277 1066313099 /nfs/dbraw/zinc/31/30/99/1066313099.db2.gz NJADTWZLFLNGSL-SIKLNZKXSA-N 1 1 456.373 4.795 20 0 JJADMO C[NH+](C)CCN1CCC(CNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)CC1 ZINC001443459495 1066314363 /nfs/dbraw/zinc/31/43/63/1066314363.db2.gz IDEODKZRHWKZLO-UHFFFAOYSA-N 1 1 451.014 4.559 20 0 JJADMO C[NH+](C)CCN1CCC(CNC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)CC1 ZINC001443469596 1066315623 /nfs/dbraw/zinc/31/56/23/1066315623.db2.gz YGRMMSPZMOROFR-UHFFFAOYSA-N 1 1 457.043 4.620 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001454665746 1066318537 /nfs/dbraw/zinc/31/85/37/1066318537.db2.gz FGYQDFCCDUMFNW-RPWUZVMVSA-N 1 1 451.611 4.813 20 0 JJADMO Cc1cc(CN2CCN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CCC[N@H+](C)C(C)C)CC2)no1 ZINC001361083620 1066322314 /nfs/dbraw/zinc/32/23/14/1066322314.db2.gz DQITYFOSESWLLO-UHFFFAOYSA-N 1 1 493.700 4.592 20 0 JJADMO CC[C@@]1(C)CCN(c2nnc(-c3cc(Br)cn3C)n2CCCCn2cc[nH+]c2C)C1 ZINC001546064638 1066322794 /nfs/dbraw/zinc/32/27/94/1066322794.db2.gz SYHAWPOZFTWRBK-QFIPXVFZSA-N 1 1 474.451 4.658 20 0 JJADMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3cc(F)c(F)cc3I)c2C1 ZINC001546065368 1066334055 /nfs/dbraw/zinc/33/40/55/1066334055.db2.gz MTUBXRWVAFVIIC-UHFFFAOYSA-N 1 1 456.274 4.793 20 0 JJADMO COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)cc1 ZINC001454886021 1066338513 /nfs/dbraw/zinc/33/85/13/1066338513.db2.gz XSJYXNFKJFYYHS-NRFANRHFSA-N 1 1 453.558 4.614 20 0 JJADMO CCCOc1ccccc1C(=O)CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001454892505 1066339607 /nfs/dbraw/zinc/33/96/07/1066339607.db2.gz LIKSNPLJPWOVHR-RRPNLBNLSA-N 1 1 470.613 4.999 20 0 JJADMO CC[C@@]1(C)CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[NH+]2CCOCC2)C1 ZINC001546066117 1066339762 /nfs/dbraw/zinc/33/97/62/1066339762.db2.gz HDHYNYFLZVOWOL-QFIPXVFZSA-N 1 1 452.430 4.601 20 0 JJADMO CC[C@]1(C)CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001546068602 1066360121 /nfs/dbraw/zinc/36/01/21/1066360121.db2.gz SILLYVGBILBSJQ-NTKDMRAZSA-N 1 1 490.490 4.691 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCOc3cccc(C)c3)n2C[C@H]2CCC[N@H+](C(C)C)C2)o1 ZINC001361112161 1066362901 /nfs/dbraw/zinc/36/29/01/1066362901.db2.gz NIBKZPDMJGAYEY-QFIPXVFZSA-N 1 1 451.615 4.791 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c(CC(C)(C)C)nnc2N(C)CCOc2cccc(C)c2)cn1 ZINC001361114026 1066365416 /nfs/dbraw/zinc/36/54/16/1066365416.db2.gz ZNAQBXUMCGILKB-UHFFFAOYSA-N 1 1 473.625 4.628 20 0 JJADMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C[C@H](C)CCc1ccc(I)cc1 ZINC001443777555 1066367197 /nfs/dbraw/zinc/36/71/97/1066367197.db2.gz WLXCKVJEFKLSTF-XLIONFOSSA-N 1 1 456.412 4.631 20 0 JJADMO CN(C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001443781889 1066367380 /nfs/dbraw/zinc/36/73/80/1066367380.db2.gz RWPTZYDMRFKINO-QFIPXVFZSA-N 1 1 457.703 4.547 20 0 JJADMO CN(C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001443781889 1066367394 /nfs/dbraw/zinc/36/73/94/1066367394.db2.gz RWPTZYDMRFKINO-QFIPXVFZSA-N 1 1 457.703 4.547 20 0 JJADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 ZINC001443804758 1066370049 /nfs/dbraw/zinc/37/00/49/1066370049.db2.gz SCQYHRJVXMIJER-HSZRJFAPSA-N 1 1 452.002 4.664 20 0 JJADMO CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545962554 1066373324 /nfs/dbraw/zinc/37/33/24/1066373324.db2.gz FQEHKYVUROVUCV-BHIFYINESA-N 1 1 451.615 4.586 20 0 JJADMO CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545962554 1066373339 /nfs/dbraw/zinc/37/33/39/1066373339.db2.gz FQEHKYVUROVUCV-BHIFYINESA-N 1 1 451.615 4.586 20 0 JJADMO CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1)NC(=O)OC(C)(C)C ZINC001545962550 1066373470 /nfs/dbraw/zinc/37/34/70/1066373470.db2.gz FNPDHSPFEINJQH-OAQYLSRUSA-N 1 1 488.677 4.706 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N(C)CC3CCC3)n2CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001361123787 1066375475 /nfs/dbraw/zinc/37/54/75/1066375475.db2.gz MSMOZXKHURAULI-UHFFFAOYSA-N 1 1 469.674 4.636 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N(C)CC3CCC3)n2CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001361123787 1066375490 /nfs/dbraw/zinc/37/54/90/1066375490.db2.gz MSMOZXKHURAULI-UHFFFAOYSA-N 1 1 469.674 4.636 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(CC)(NC(=O)OC(C)(C)C)CC1 ZINC001455271087 1066377804 /nfs/dbraw/zinc/37/78/04/1066377804.db2.gz AOSVMDJEOOZJRI-DHIUTWEWSA-N 1 1 457.659 4.831 20 0 JJADMO CCC1(NC(=O)OC(C)(C)C)CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC001455277419 1066379339 /nfs/dbraw/zinc/37/93/39/1066379339.db2.gz WENAGXAWFMGHLN-JOCHJYFZSA-N 1 1 455.643 4.585 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)CC[C@H]3C)n2C[C@@H]2CCC[N@H+]2CCCO)c1 ZINC001361125969 1066381186 /nfs/dbraw/zinc/38/11/86/1066381186.db2.gz IDRUEACSCYSTFB-SMIHKQSGSA-N 1 1 483.701 4.761 20 0 JJADMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)C1 ZINC001443897525 1066382658 /nfs/dbraw/zinc/38/26/58/1066382658.db2.gz QDQINUZVWZVUJD-URXFXBBRSA-N 1 1 451.611 4.671 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001361126263 1066382956 /nfs/dbraw/zinc/38/29/56/1066382956.db2.gz PDVJBGPGAYSQEA-FCHUYYIVSA-N 1 1 469.674 4.777 20 0 JJADMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)C1 ZINC001443897522 1066383095 /nfs/dbraw/zinc/38/30/95/1066383095.db2.gz QDQINUZVWZVUJD-QPPBQGQZSA-N 1 1 451.611 4.671 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H]4CCC[N@H+]4C[C@H]3C)n2CCCOC(F)F)c1 ZINC001361126301 1066383720 /nfs/dbraw/zinc/38/37/20/1066383720.db2.gz PWDBSPSNHYLPPO-WOJBJXKFSA-N 1 1 477.600 4.591 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@@H]2CCC[N@H+]2CCCO)c1 ZINC001361126563 1066385273 /nfs/dbraw/zinc/38/52/73/1066385273.db2.gz UYCRSMHGSIVJOO-VXNXHJTFSA-N 1 1 483.701 4.618 20 0 JJADMO CC(C)(C)OC(=O)Nc1cc(F)cc(CNC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)c1 ZINC001455392139 1066386048 /nfs/dbraw/zinc/38/60/48/1066386048.db2.gz MESRGKWJKQIHKP-OAQYLSRUSA-N 1 1 455.574 4.744 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CC[N@H+]2CCC[C@H](C)C2)c1 ZINC001361126715 1066386028 /nfs/dbraw/zinc/38/60/28/1066386028.db2.gz ZBNRTLGCYXMJSQ-VABKMULXSA-N 1 1 469.674 4.634 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H]2CCC=CO2)c1 ZINC001361128001 1066390443 /nfs/dbraw/zinc/39/04/43/1066390443.db2.gz QSGRHROEOCCJNN-HSZRJFAPSA-N 1 1 467.658 4.902 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCCCCC3)n2CC2CCN(CC[NH+](C)C)CC2)c1 ZINC001361128267 1066391467 /nfs/dbraw/zinc/39/14/67/1066391467.db2.gz VVLCOEAKYUZSCS-UHFFFAOYSA-N 1 1 496.744 4.943 20 0 JJADMO C[C@@H]1C[C@H](C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001455496006 1066398196 /nfs/dbraw/zinc/39/81/96/1066398196.db2.gz NNNRDEQKVQAUJQ-FYYLOGMGSA-N 1 1 457.659 4.973 20 0 JJADMO CC(C)(C)OC(=O)Nc1cc(F)ccc1C(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001455508976 1066400949 /nfs/dbraw/zinc/40/09/49/1066400949.db2.gz HSZGVLHAUOUCPV-BCHFMIIMSA-N 1 1 453.558 4.767 20 0 JJADMO CN(Cc1ccc(Cl)cc1Oc1cc(Cl)ccc1Cl)C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001455580687 1066412563 /nfs/dbraw/zinc/41/25/63/1066412563.db2.gz FIJVSKYBHTZUTK-KKSFZXQISA-N 1 1 457.785 4.853 20 0 JJADMO C[C@@H]1CN(C(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)CC[N@H+]1C1CCCC1 ZINC001455686572 1066424263 /nfs/dbraw/zinc/42/42/63/1066424263.db2.gz IGYLSRSEVRXHGE-HXUWFJFHSA-N 1 1 457.684 4.659 20 0 JJADMO CCCOc1ccc(C(=O)c2ccccc2C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cc1OCCC ZINC001455764770 1066429045 /nfs/dbraw/zinc/42/90/45/1066429045.db2.gz ZQAGIUQWHWGVBK-FCHUYYIVSA-N 1 1 464.606 4.804 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)CC(F)(F)F)n2CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001361146115 1066431769 /nfs/dbraw/zinc/43/17/69/1066431769.db2.gz SFXURLWHXVROHG-LJQANCHMSA-N 1 1 453.553 4.737 20 0 JJADMO Cc1ncc(CN(C)c2nnc(COc3cc(C)ccc3C)n2CC[N@@H+](C)C2CCCC2)s1 ZINC001361148303 1066434235 /nfs/dbraw/zinc/43/42/35/1066434235.db2.gz GTFHKSAKXHUVHH-UHFFFAOYSA-N 1 1 468.671 4.750 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)CC3CC(F)C3)n2CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001361148432 1066435280 /nfs/dbraw/zinc/43/52/80/1066435280.db2.gz KMXLUUNRYRGOBO-DDRJZQQSSA-N 1 1 457.638 4.923 20 0 JJADMO Cc1ccc(C)n1-c1c(C(=O)Nc2ccc(C[N@@H+](C)CCOc3ccccc3)cc2)cnn1C ZINC001455808728 1066435402 /nfs/dbraw/zinc/43/54/02/1066435402.db2.gz BFEZGPRECHCNIO-UHFFFAOYSA-N 1 1 457.578 4.591 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361148728 1066436645 /nfs/dbraw/zinc/43/66/45/1066436645.db2.gz UVEUFAYJEWJFRE-JRFVFWCSSA-N 1 1 469.674 4.600 20 0 JJADMO Cc1csc(C[C@H]2CCCN(C(=O)[C@]3(C(F)(F)F)CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC001455887520 1066446249 /nfs/dbraw/zinc/44/62/49/1066446249.db2.gz KQFUWCYBAPVXSV-KNQAVFIVSA-N 1 1 451.558 4.687 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H]2CCSC2(C)C)c1 ZINC001361158938 1066462715 /nfs/dbraw/zinc/46/27/15/1066462715.db2.gz JCOKQJYIHGGELY-QFIPXVFZSA-N 1 1 471.715 4.926 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C1(c2cccc(Cl)c2)CCOCC1 ZINC001444461662 1066462740 /nfs/dbraw/zinc/46/27/40/1066462740.db2.gz VCNLWCJAFQUAGL-UHFFFAOYSA-N 1 1 452.982 4.930 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C1(c2cccc(Cl)c2)CCOCC1 ZINC001444461662 1066462745 /nfs/dbraw/zinc/46/27/45/1066462745.db2.gz VCNLWCJAFQUAGL-UHFFFAOYSA-N 1 1 452.982 4.930 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001444468796 1066463346 /nfs/dbraw/zinc/46/33/46/1066463346.db2.gz WUVTVWDJQVQVRZ-SIKLNZKXSA-N 1 1 455.599 4.611 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001444468796 1066463351 /nfs/dbraw/zinc/46/33/51/1066463351.db2.gz WUVTVWDJQVQVRZ-SIKLNZKXSA-N 1 1 455.599 4.611 20 0 JJADMO CC(C)(C)OC(=O)N1CCC(C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)CC1 ZINC001444500318 1066468926 /nfs/dbraw/zinc/46/89/26/1066468926.db2.gz GDOJITRXKDIZSK-UHFFFAOYSA-N 1 1 455.643 4.681 20 0 JJADMO CC[N@@H+](Cc1ccc(C(=O)N(CC(=O)OC(C)(C)C)c2ccc3c(c2)OCO3)cc1)C(C)C ZINC001361163222 1066471746 /nfs/dbraw/zinc/47/17/46/1066471746.db2.gz JWRCEDRFGMDDRG-UHFFFAOYSA-N 1 1 454.567 4.634 20 0 JJADMO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1 ZINC001456017638 1066475665 /nfs/dbraw/zinc/47/56/65/1066475665.db2.gz KQBIYCVLEIPCBL-RRPNLBNLSA-N 1 1 455.602 4.716 20 0 JJADMO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1 ZINC001456017638 1066475675 /nfs/dbraw/zinc/47/56/75/1066475675.db2.gz KQBIYCVLEIPCBL-RRPNLBNLSA-N 1 1 455.602 4.716 20 0 JJADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1sc(SC(F)(F)F)nc1C ZINC001444561951 1066476443 /nfs/dbraw/zinc/47/64/43/1066476443.db2.gz XBILTVQHPFMTEA-KRWDZBQOSA-N 1 1 457.587 4.977 20 0 JJADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC001361164587 1066476373 /nfs/dbraw/zinc/47/63/73/1066476373.db2.gz AOCIYMJQCVERMO-OAQYLSRUSA-N 1 1 456.030 4.596 20 0 JJADMO Cc1cccc(-n2ccnc2SCC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1C ZINC001444562932 1066477176 /nfs/dbraw/zinc/47/71/76/1066477176.db2.gz GELRBNJFUILEIS-CVDCTZTESA-N 1 1 454.665 4.842 20 0 JJADMO Cc1cccc(-n2ccnc2SCC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1C ZINC001444562936 1066477228 /nfs/dbraw/zinc/47/72/28/1066477228.db2.gz GELRBNJFUILEIS-WMZHIEFXSA-N 1 1 454.665 4.842 20 0 JJADMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1cc(Cl)ncc1Br ZINC001456030620 1066483019 /nfs/dbraw/zinc/48/30/19/1066483019.db2.gz OXALOOHBLQVHSN-HNNXBMFYSA-N 1 1 457.199 4.935 20 0 JJADMO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1cc(Cl)ncc1Br ZINC001456030620 1066483024 /nfs/dbraw/zinc/48/30/24/1066483024.db2.gz OXALOOHBLQVHSN-HNNXBMFYSA-N 1 1 457.199 4.935 20 0 JJADMO CC[N@H+]1CC[C@H](N(C)C(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)C[C@@H]1C ZINC001444614542 1066483731 /nfs/dbraw/zinc/48/37/31/1066483731.db2.gz KJNZAWABGGQZKL-ICSRJNTNSA-N 1 1 455.002 4.600 20 0 JJADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)c3cnc(Cl)c4ccccc34)CC2)c1C ZINC001456038739 1066487047 /nfs/dbraw/zinc/48/70/47/1066487047.db2.gz NGRILBULGCVCOM-UHFFFAOYSA-N 1 1 452.986 4.645 20 0 JJADMO Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccccc3C)n2CCCC[N@H+]2CCC[C@H]2CO)o1 ZINC001361171506 1066487190 /nfs/dbraw/zinc/48/71/90/1066487190.db2.gz VMPHCRPFCPHCNV-VXKWHMMOSA-N 1 1 451.615 4.589 20 0 JJADMO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)CSc1cccc2cccc(Cl)c21 ZINC001444663262 1066489482 /nfs/dbraw/zinc/48/94/82/1066489482.db2.gz NBAVSDQQRCCUTG-UHFFFAOYSA-N 1 1 454.039 4.866 20 0 JJADMO O=C(NCC1(c2ccc(Br)cc2)CCCCC1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC001444665884 1066490261 /nfs/dbraw/zinc/49/02/61/1066490261.db2.gz IUPBJBBAFNGOJS-QFIPXVFZSA-N 1 1 456.428 4.827 20 0 JJADMO O=C(NCC1(c2ccc(Br)cc2)CCCCC1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC001444665884 1066490267 /nfs/dbraw/zinc/49/02/67/1066490267.db2.gz IUPBJBBAFNGOJS-QFIPXVFZSA-N 1 1 456.428 4.827 20 0 JJADMO Cc1ccc(-c2nnc(N(C)[C@H]3CCOC3)n2CCC[N@@H+]2CCCC[C@H]2C)cc1Br ZINC001361174466 1066491329 /nfs/dbraw/zinc/49/13/29/1066491329.db2.gz RRNFLDDTUJKDFI-QUCCMNQESA-N 1 1 476.463 4.506 20 0 JJADMO C[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1Sc1cccc(F)c1)C[NH+]1CCOCC1 ZINC001444677755 1066492272 /nfs/dbraw/zinc/49/22/72/1066492272.db2.gz CWSFXPNNEXWYGF-OAHLLOKOSA-N 1 1 456.505 4.694 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2Cc2ccc(C(C)(F)F)cc2)o1 ZINC001361175629 1066493523 /nfs/dbraw/zinc/49/35/23/1066493523.db2.gz SXVBLUFEZVHKHB-UHFFFAOYSA-N 1 1 487.595 4.801 20 0 JJADMO C[C@H](CNC(=O)c1sc(-c2ccccc2)cc1OCc1ccccc1)C[NH+]1CCOCC1 ZINC001444686611 1066493561 /nfs/dbraw/zinc/49/35/61/1066493561.db2.gz OIURZBLRJSTRLF-HXUWFJFHSA-N 1 1 450.604 4.692 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2Cc2cscc2C(F)(F)F)o1 ZINC001361175938 1066493832 /nfs/dbraw/zinc/49/38/32/1066493832.db2.gz ZBSOKQDIFCBPGU-UHFFFAOYSA-N 1 1 497.587 4.770 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3ccc(Br)s3)n2CC[N@H+](C)C(C)C)o1 ZINC001361177559 1066495761 /nfs/dbraw/zinc/49/57/61/1066495761.db2.gz IZHKGBFHGSZHQW-UHFFFAOYSA-N 1 1 452.422 4.647 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3c(F)cccc3Cl)n2CCC[N@H+]2CCCO[C@H](C)C2)o1 ZINC001361178087 1066498248 /nfs/dbraw/zinc/49/82/48/1066498248.db2.gz ZRMWASOVOXTKTK-GOSISDBHSA-N 1 1 475.996 4.776 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC001361181333 1066502791 /nfs/dbraw/zinc/50/27/91/1066502791.db2.gz JTMJVAWEJKQGBU-GOSISDBHSA-N 1 1 482.032 4.780 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CCCC[N@@H+]2CCCC[C@@H]2C)o1 ZINC001361181812 1066504152 /nfs/dbraw/zinc/50/41/52/1066504152.db2.gz XILBPXCXAZJQLF-KRWDZBQOSA-N 1 1 460.026 4.524 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCC(C)C)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1Br ZINC001361184252 1066507169 /nfs/dbraw/zinc/50/71/69/1066507169.db2.gz DDQRKKSMYNZQIG-FQEVSTJZSA-N 1 1 492.506 4.999 20 0 JJADMO CC[C@]1(C)CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCC[NH+]2CCOCC2)C1 ZINC001546079390 1066509443 /nfs/dbraw/zinc/50/94/43/1066509443.db2.gz LDXNWTCLLPNKBI-HSZRJFAPSA-N 1 1 464.079 4.573 20 0 JJADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CCc1cc(Br)c(Br)s1 ZINC001444841603 1066511589 /nfs/dbraw/zinc/51/15/89/1066511589.db2.gz AQTZWBMGTHYWPS-GFCCVEGCSA-N 1 1 452.256 4.539 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCCCCO)n2CC[N@H+]2CCCC(C)(C)C2)cc1Br ZINC001361187345 1066511982 /nfs/dbraw/zinc/51/19/82/1066511982.db2.gz NMLFSVGAKAWDCX-UHFFFAOYSA-N 1 1 492.506 4.737 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2CC2(C)C)cc1Br ZINC001361187848 1066513054 /nfs/dbraw/zinc/51/30/54/1066513054.db2.gz INTRETFPUMDNCC-NSHGMRRFSA-N 1 1 490.490 4.608 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2CC2(C)C)cc1Br ZINC001361187848 1066513069 /nfs/dbraw/zinc/51/30/69/1066513069.db2.gz INTRETFPUMDNCC-NSHGMRRFSA-N 1 1 490.490 4.608 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2CC2(C)C)cc1Br ZINC001361187849 1066513187 /nfs/dbraw/zinc/51/31/87/1066513187.db2.gz INTRETFPUMDNCC-WSTZPKSXSA-N 1 1 490.490 4.608 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2CC2(C)C)cc1Br ZINC001361187849 1066513192 /nfs/dbraw/zinc/51/31/92/1066513192.db2.gz INTRETFPUMDNCC-WSTZPKSXSA-N 1 1 490.490 4.608 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCOC(C)(C)C)n2CC[N@@H+]2CCC[C@@H]2C)cc1Br ZINC001361190578 1066515603 /nfs/dbraw/zinc/51/56/03/1066515603.db2.gz LVMIWOYBSRTSIF-SFHVURJKSA-N 1 1 478.479 4.752 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCOc3ccc(F)cc3)n2CCC[N@@H+]2CCCC[C@H]2C)o1 ZINC001361190779 1066516217 /nfs/dbraw/zinc/51/62/17/1066516217.db2.gz SDCABOWEHVIDKA-LJQANCHMSA-N 1 1 455.578 4.765 20 0 JJADMO CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001444894901 1066517085 /nfs/dbraw/zinc/51/70/85/1066517085.db2.gz TZCPZOJBVYQHEV-RDPSFJRHSA-N 1 1 456.030 4.608 20 0 JJADMO Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC001444917932 1066518400 /nfs/dbraw/zinc/51/84/00/1066518400.db2.gz FOEAMDBPTLKFAP-UHFFFAOYSA-N 1 1 458.484 4.613 20 0 JJADMO Cc1ccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1Br ZINC001361194841 1066521405 /nfs/dbraw/zinc/52/14/05/1066521405.db2.gz XUSKSMHYAXUWRZ-GOSISDBHSA-N 1 1 490.490 4.894 20 0 JJADMO C[C@@H](c1ccc(NC(=O)c2cc(-c3cccc(Br)c3)no2)cc1)[NH+]1CCOCC1 ZINC001456156337 1066525214 /nfs/dbraw/zinc/52/52/14/1066525214.db2.gz HANXYFHZBQDQOA-HNNXBMFYSA-N 1 1 456.340 4.750 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)o1 ZINC001361198052 1066526341 /nfs/dbraw/zinc/52/63/41/1066526341.db2.gz HGFMCGCUJVZPQY-MRXNPFEDSA-N 1 1 481.563 4.705 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)o1 ZINC001361198051 1066526395 /nfs/dbraw/zinc/52/63/95/1066526395.db2.gz HGFMCGCUJVZPQY-INIZCTEOSA-N 1 1 481.563 4.705 20 0 JJADMO Cc1ccc(-c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n2CCCOCC(C)C)cc1Br ZINC001361198181 1066526907 /nfs/dbraw/zinc/52/69/07/1066526907.db2.gz LAFRHOLXPXODGJ-FPOVZHCZSA-N 1 1 490.490 4.752 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2CCCCn2cc[nH+]c2C)o1 ZINC001361199181 1066528157 /nfs/dbraw/zinc/52/81/57/1066528157.db2.gz ACERESVVUXIIFF-CTNGQTDRSA-N 1 1 497.644 4.571 20 0 JJADMO CCNC(=O)NCc1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1 ZINC001445018543 1066529950 /nfs/dbraw/zinc/52/99/50/1066529950.db2.gz FOGAUXKZTJCALI-GGXMVOPNSA-N 1 1 470.617 4.534 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cc(Br)sc2Br)C1 ZINC001445025049 1066530504 /nfs/dbraw/zinc/53/05/04/1066530504.db2.gz GMZPDKWOJNDYQL-ZDUSSCGKSA-N 1 1 458.219 4.620 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)o1 ZINC001361200458 1066530562 /nfs/dbraw/zinc/53/05/62/1066530562.db2.gz WZIXTIIKCLDRFW-HOYKHHGWSA-N 1 1 497.606 4.888 20 0 JJADMO COC(=O)CCCOc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)cc1 ZINC001456191937 1066533764 /nfs/dbraw/zinc/53/37/64/1066533764.db2.gz CPZCUBLLSCXNKF-DNQXCXABSA-N 1 1 478.614 4.934 20 0 JJADMO COc1ccccc1-c1ccc(CN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)C(C)C)cc1 ZINC001445052632 1066534187 /nfs/dbraw/zinc/53/41/87/1066534187.db2.gz NJHUESIOAJTRKS-UHFFFAOYSA-N 1 1 457.578 4.761 20 0 JJADMO Cc1nc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CC(C)C)ccc1I ZINC001361205147 1066536004 /nfs/dbraw/zinc/53/60/04/1066536004.db2.gz SROXABSAWWWLDU-RTBURBONSA-N 1 1 477.390 4.727 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CCN(C)c2ccccc2)o1 ZINC001361205908 1066537938 /nfs/dbraw/zinc/53/79/38/1066537938.db2.gz XCGZVWGYZISCBV-UHFFFAOYSA-N 1 1 450.631 4.540 20 0 JJADMO CC[C@@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CCO1 ZINC001546080818 1066540784 /nfs/dbraw/zinc/54/07/84/1066540784.db2.gz BXMMXCRQFJSGGI-FIPFOOKPSA-N 1 1 496.700 4.521 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC(OC(C)C)CC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC001361208559 1066541372 /nfs/dbraw/zinc/54/13/72/1066541372.db2.gz BHSUSDJMWILTEJ-BGYRXZFFSA-N 1 1 457.663 4.997 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@H](C)[N@@H+](C)C2CC2)cc1Br ZINC001361209286 1066542273 /nfs/dbraw/zinc/54/22/73/1066542273.db2.gz SFPDLTVHYYOKLZ-RXVVDRJESA-N 1 1 490.490 4.750 20 0 JJADMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3cccc(CSC4CCOCC4)c3)cc2)C[C@H](C)O1 ZINC001456245607 1066544837 /nfs/dbraw/zinc/54/48/37/1066544837.db2.gz ACRNYKVHCCEXQL-PMACEKPBSA-N 1 1 454.636 4.960 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)n2CCC[N@H+](C)C(C)C)o1 ZINC001361211841 1066545939 /nfs/dbraw/zinc/54/59/39/1066545939.db2.gz BIVRRNMLKQTXGJ-NRFANRHFSA-N 1 1 488.677 4.660 20 0 JJADMO Cc1ccc(-c2nnc(N3CCCC3(C)C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1Br ZINC001361214058 1066549788 /nfs/dbraw/zinc/54/97/88/1066549788.db2.gz HRZVGBVYXCKLDL-HXUWFJFHSA-N 1 1 490.490 4.752 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCOc2ccccc2Cl)o1 ZINC001361218256 1066554626 /nfs/dbraw/zinc/55/46/26/1066554626.db2.gz REQBKBBRQJTACM-UHFFFAOYSA-N 1 1 458.006 4.890 20 0 JJADMO Cc1ccc(-c2nnc(N3CCCCCC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1Br ZINC001361218634 1066555133 /nfs/dbraw/zinc/55/51/33/1066555133.db2.gz PMKRHORRNQIQMF-NRFANRHFSA-N 1 1 490.490 4.753 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)o1 ZINC001361218941 1066555886 /nfs/dbraw/zinc/55/58/86/1066555886.db2.gz XSFNURAWDKQYCM-HXUWFJFHSA-N 1 1 488.677 4.706 20 0 JJADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)[C@@H](C)C1 ZINC001456300293 1066557928 /nfs/dbraw/zinc/55/79/28/1066557928.db2.gz JTHGLMOOMOVXQC-WMLDXEAASA-N 1 1 456.439 4.984 20 0 JJADMO O=C([C@@H]1C[C@@H]1c1cc(F)ccc1F)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001361220647 1066557849 /nfs/dbraw/zinc/55/78/49/1066557849.db2.gz XZLZBFAKUHIPMP-YFVAEKQCSA-N 1 1 452.467 4.981 20 0 JJADMO O=C([C@@H]1C[C@H]1c1cc(F)ccc1F)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001361220645 1066557969 /nfs/dbraw/zinc/55/79/69/1066557969.db2.gz XZLZBFAKUHIPMP-HFSMHLIXSA-N 1 1 452.467 4.981 20 0 JJADMO CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1)Oc1ccccc1F ZINC001545975081 1066569970 /nfs/dbraw/zinc/56/99/70/1066569970.db2.gz KNADAVHMDWHHEV-OAQYLSRUSA-N 1 1 468.621 4.827 20 0 JJADMO Cc1ccc(-c2nnc(N3CCS[C@@H](C(C)C)C3)n2CC[N@@H+]2CC=CCC2)cc1Br ZINC001361231786 1066572408 /nfs/dbraw/zinc/57/24/08/1066572408.db2.gz USZRPTMTAFCISZ-OAQYLSRUSA-N 1 1 490.515 4.856 20 0 JJADMO Cc1ccc([C@@H]2CCCN2c2nnc(COc3ccccc3F)n2CCC[N@H+](C)C(C)C)o1 ZINC001361236009 1066576203 /nfs/dbraw/zinc/57/62/03/1066576203.db2.gz CFUIXHWEIFJUOC-NRFANRHFSA-N 1 1 455.578 4.969 20 0 JJADMO CC[C@@H](NC(=O)c1cc(CCc2ccccc2)ccc1O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001445491200 1066577488 /nfs/dbraw/zinc/57/74/88/1066577488.db2.gz NIKSPTVASGDQFT-IAPPQJPRSA-N 1 1 458.602 4.587 20 0 JJADMO CC[C@@H](NC(=O)c1cc(CCc2ccccc2)ccc1O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001445491200 1066577495 /nfs/dbraw/zinc/57/74/95/1066577495.db2.gz NIKSPTVASGDQFT-IAPPQJPRSA-N 1 1 458.602 4.587 20 0 JJADMO COCCc1ccc(OCCCC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001445523109 1066580988 /nfs/dbraw/zinc/58/09/88/1066580988.db2.gz JHPWFTOLDCWVOI-BDYUSTAISA-N 1 1 450.623 4.548 20 0 JJADMO CC(C)COc1ccc(C(C)(C)C(=O)N2CCC[N@@H+](Cc3ccccc3)CCOCC2)cc1 ZINC001456437362 1066585791 /nfs/dbraw/zinc/58/57/91/1066585791.db2.gz MWYKEONNXXVQHX-UHFFFAOYSA-N 1 1 452.639 4.750 20 0 JJADMO Cc1ccc(CN(C)c2nnc(-c3ccc(Br)cc3)n2CCn2cc[nH+]c2C)s1 ZINC001361249840 1066594732 /nfs/dbraw/zinc/59/47/32/1066594732.db2.gz HKNBNHFNZIUGAY-UHFFFAOYSA-N 1 1 471.428 4.919 20 0 JJADMO Cc1ccc(CN(C)c2nnc(-c3cccc(Cl)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)s1 ZINC001361250135 1066596122 /nfs/dbraw/zinc/59/61/22/1066596122.db2.gz RXHGTCPWKFJTAL-UHFFFAOYSA-N 1 1 473.090 4.631 20 0 JJADMO Cc1ccc(CN(C)c2nnc(-c3cccc(Cl)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)s1 ZINC001361250135 1066596131 /nfs/dbraw/zinc/59/61/31/1066596131.db2.gz RXHGTCPWKFJTAL-UHFFFAOYSA-N 1 1 473.090 4.631 20 0 JJADMO Cc1ccc(CN(C)c2nnc(-c3cccc(Cl)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)s1 ZINC001361250135 1066596139 /nfs/dbraw/zinc/59/61/39/1066596139.db2.gz RXHGTCPWKFJTAL-UHFFFAOYSA-N 1 1 473.090 4.631 20 0 JJADMO COc1ccc2cc(/C=C\C(=O)Nc3ccc(C(=O)N(C)[C@@H]4CCC[N@@H+](C)C4)cc3)ccc2c1 ZINC001456489904 1066597213 /nfs/dbraw/zinc/59/72/13/1066597213.db2.gz NEBSKPBUCCTUDP-MIJQOLBWSA-N 1 1 457.574 4.667 20 0 JJADMO Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+]2CCCO[C@H](C)C2)s1 ZINC001361250875 1066597717 /nfs/dbraw/zinc/59/77/17/1066597717.db2.gz CGVFIMHRINKAEV-QGZVFWFLSA-N 1 1 475.062 4.501 20 0 JJADMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)C[C@H]3C(=O)Nc4ccc(Br)cc43)c2C1 ZINC001361253782 1066601883 /nfs/dbraw/zinc/60/18/83/1066601883.db2.gz HTRYYRGQPNUTMD-GOSISDBHSA-N 1 1 456.384 4.875 20 0 JJADMO COc1ccc2cc([C@H](C)C(=O)Nc3ccc(C(=O)N(C)[C@@H]4CCC[N@@H+](C)C4)cc3)ccc2c1 ZINC001456501814 1066603031 /nfs/dbraw/zinc/60/30/31/1066603031.db2.gz YECSYEADNOJQBE-UQBPGWFLSA-N 1 1 459.590 4.757 20 0 JJADMO CC[C@]1(C)CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CCO1 ZINC001546082973 1066609054 /nfs/dbraw/zinc/60/90/54/1066609054.db2.gz HBSZMHBSJYZBIB-BCQCSXDESA-N 1 1 487.664 4.931 20 0 JJADMO Cc1ccc(CN(C)c2nnc(COc3ccccc3F)n2CC[N@H+]2CCCC(C)(C)C2)o1 ZINC001361261001 1066610981 /nfs/dbraw/zinc/61/09/81/1066610981.db2.gz DHOYSKJJNBPTTC-UHFFFAOYSA-N 1 1 455.578 4.656 20 0 JJADMO Cc1ccc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001361261343 1066612834 /nfs/dbraw/zinc/61/28/34/1066612834.db2.gz PQBMDRYYZXMRCS-ZRZAMGCNSA-N 1 1 495.668 4.900 20 0 JJADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C ZINC001445790294 1066618006 /nfs/dbraw/zinc/61/80/06/1066618006.db2.gz RWMMBGFNZFLDIQ-FMEYXAORSA-N 1 1 456.414 4.500 20 0 JJADMO Cn1ccnc1[C@@H](CC(=O)N[C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C(F)(F)F ZINC001456554593 1066624290 /nfs/dbraw/zinc/62/42/90/1066624290.db2.gz UPNMPENYPBDWTA-OTNCWRBYSA-N 1 1 470.539 4.631 20 0 JJADMO C[N@@H+](CCN(Cc1ccccc1)C(=O)Cc1ccn(-c2ccc(F)cc2)n1)Cc1ccccc1 ZINC001361279279 1066636718 /nfs/dbraw/zinc/63/67/18/1066636718.db2.gz RWRIMILKZDRZRK-UHFFFAOYSA-N 1 1 456.565 4.715 20 0 JJADMO COc1ccc2[nH]c(C)c(C(=O)NC3CC[NH+](Cc4ccc(Br)cc4)CC3)c2c1 ZINC001446000211 1066643998 /nfs/dbraw/zinc/64/39/98/1066643998.db2.gz LCXWOOIUXPDRMK-UHFFFAOYSA-N 1 1 456.384 4.642 20 0 JJADMO CC(C)[N@H+]1CC[C@H](C(=O)O[C@@H]2CCOc3cc(Cl)cc(Cl)c32)[C@H](c2cnn(C)c2)C1 ZINC001361288024 1066646395 /nfs/dbraw/zinc/64/63/95/1066646395.db2.gz GFBGXGGEVNALJX-JENIJYKNSA-N 1 1 452.382 4.608 20 0 JJADMO Cc1ccccc1O[C@@H](C)Cn1c(CC(C)C)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001492598527 1066647817 /nfs/dbraw/zinc/64/78/17/1066647817.db2.gz NSVPQUWSTASDGZ-VXNXHJTFSA-N 1 1 483.701 4.578 20 0 JJADMO Cc1ccccc1OCCCN(C)c1nnc(Cc2ccccn2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001492599070 1066649786 /nfs/dbraw/zinc/64/97/86/1066649786.db2.gz UMCAAHDSMJCXEH-RUZDIDTESA-N 1 1 476.669 4.598 20 0 JJADMO Cc1ccccc1OCCN(C)c1nnc([C@H]2CCCCO2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492602553 1066658992 /nfs/dbraw/zinc/65/89/92/1066658992.db2.gz UVHCERJSPMOPEZ-OTNCWRBYSA-N 1 1 469.674 4.711 20 0 JJADMO CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1(C)C ZINC001456652495 1066659276 /nfs/dbraw/zinc/65/92/76/1066659276.db2.gz ZNCMENCIUPXTIV-LIONHTAISA-N 1 1 477.649 4.710 20 0 JJADMO Cc1ccnc(OC2CCN(c3nnc(CC(C)C)n3C[C@@H](C)[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC001492607908 1066667718 /nfs/dbraw/zinc/66/77/18/1066667718.db2.gz JSEKPTOUYCQKIT-HSZRJFAPSA-N 1 1 476.669 4.748 20 0 JJADMO C[N@@H+]1CC[C@H](NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)[C@H]1c1ccc(F)cc1 ZINC001446186410 1066670511 /nfs/dbraw/zinc/67/05/11/1066670511.db2.gz DZPOXOSIHUMSNS-NZQKXSOJSA-N 1 1 459.974 4.619 20 0 JJADMO C[N@H+]1CC[C@H](NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)[C@H]1c1ccc(F)cc1 ZINC001446186410 1066670521 /nfs/dbraw/zinc/67/05/21/1066670521.db2.gz DZPOXOSIHUMSNS-NZQKXSOJSA-N 1 1 459.974 4.619 20 0 JJADMO Cc1onc(-c2cccc(Br)c2)c1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001446190047 1066671832 /nfs/dbraw/zinc/67/18/32/1066671832.db2.gz ISZATCLLZSLRBQ-WIYYLYMNSA-N 1 1 458.331 4.727 20 0 JJADMO Cc1onc(-c2cccc(Br)c2)c1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001446190047 1066671838 /nfs/dbraw/zinc/67/18/38/1066671838.db2.gz ISZATCLLZSLRBQ-WIYYLYMNSA-N 1 1 458.331 4.727 20 0 JJADMO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)CC[N@H+]1C ZINC001456710845 1066672231 /nfs/dbraw/zinc/67/22/31/1066672231.db2.gz HSCLVAIOMVQOGM-ZRGWGRIASA-N 1 1 458.430 4.843 20 0 JJADMO C[C@@H]1C[C@@H](N(C)C(=O)[C@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)CC[N@H+]1C ZINC001456710841 1066672328 /nfs/dbraw/zinc/67/23/28/1066672328.db2.gz HSCLVAIOMVQOGM-VCBZYWHSSA-N 1 1 458.430 4.843 20 0 JJADMO C[N@H+]1CC[C@@H](NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)[C@@H]1c1ccc(F)cc1 ZINC001446191974 1066673400 /nfs/dbraw/zinc/67/34/00/1066673400.db2.gz LJUVNYMYYDBLQW-IERDGZPVSA-N 1 1 451.489 4.948 20 0 JJADMO CC[C@H](Cn1c(C2CC2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001545982714 1066675729 /nfs/dbraw/zinc/67/57/29/1066675729.db2.gz QEBWKFFRIGCEOC-NZQKXSOJSA-N 1 1 482.673 4.560 20 0 JJADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC001456734487 1066677508 /nfs/dbraw/zinc/67/75/08/1066677508.db2.gz IXRJVKSVVDMQSV-GOSISDBHSA-N 1 1 458.484 4.740 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC=C(C)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001492615074 1066679751 /nfs/dbraw/zinc/67/97/51/1066679751.db2.gz YRTASTLCPXPPEF-GMAHTHKFSA-N 1 1 488.076 4.692 20 0 JJADMO C[C@@H]1C[C@H](CCNC(=O)/C=C/[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C[N@H+]1Cc1ccccc1 ZINC001446259325 1066680332 /nfs/dbraw/zinc/68/03/32/1066680332.db2.gz NQSIOBQCUVCEAC-MITOLCNKSA-N 1 1 455.643 4.607 20 0 JJADMO CCN(Cc1ccccc1)c1ccc(C(=O)N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC001456746937 1066680459 /nfs/dbraw/zinc/68/04/59/1066680459.db2.gz LJYXKNQGHDUKIT-NEKDWFFYSA-N 1 1 457.618 4.732 20 0 JJADMO CCN(Cc1ccccc1)c1ccc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC001456746937 1066680469 /nfs/dbraw/zinc/68/04/69/1066680469.db2.gz LJYXKNQGHDUKIT-NEKDWFFYSA-N 1 1 457.618 4.732 20 0 JJADMO C[C@H]1C[C@H](CCNC(=O)Cc2c[nH]c3ccc(Br)cc23)C[N@H+]1Cc1ccccc1 ZINC001446263591 1066681300 /nfs/dbraw/zinc/68/13/00/1066681300.db2.gz UVBHLQBEJSZHSR-HKUYNNGSSA-N 1 1 454.412 4.890 20 0 JJADMO CC1=CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001492615398 1066681244 /nfs/dbraw/zinc/68/12/44/1066681244.db2.gz LGKKWZBSBZZOOT-QGZVFWFLSA-N 1 1 461.452 4.703 20 0 JJADMO CC1=CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001492615569 1066681708 /nfs/dbraw/zinc/68/17/08/1066681708.db2.gz REUKPBKSKGTJMS-KDURUIRLSA-N 1 1 475.479 4.571 20 0 JJADMO Cc1noc(C)c1COc1ccc(CC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC001456769972 1066684532 /nfs/dbraw/zinc/68/45/32/1066684532.db2.gz IRYGEFCEVLTZJL-CPJSRVTESA-N 1 1 453.608 4.674 20 0 JJADMO COc1cc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)ccc1OCc1cscn1 ZINC001456771733 1066686263 /nfs/dbraw/zinc/68/62/63/1066686263.db2.gz OHCQZPKORCJOAR-VGOFRKELSA-N 1 1 457.621 4.605 20 0 JJADMO O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC001446293204 1066686835 /nfs/dbraw/zinc/68/68/35/1066686835.db2.gz ZQVMDFZPHVFTAA-SXTVDBKBSA-N 1 1 450.579 4.567 20 0 JJADMO C[N@H+]1CCC[C@H](CNC(=O)C2(c3cc(F)cc(Br)c3)CC2)[C@H]1c1cccs1 ZINC001456775053 1066687900 /nfs/dbraw/zinc/68/79/00/1066687900.db2.gz YJVLFRTWHYVGQB-KUHUBIRLSA-N 1 1 451.405 4.881 20 0 JJADMO CC1=CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001492619858 1066688189 /nfs/dbraw/zinc/68/81/89/1066688189.db2.gz MBHSTFYGGAGAFY-OAQYLSRUSA-N 1 1 488.474 4.896 20 0 JJADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(Cl)c(Br)c1 ZINC001446320065 1066689619 /nfs/dbraw/zinc/68/96/19/1066689619.db2.gz ARNPTSXESZPPRE-QGZVFWFLSA-N 1 1 451.792 4.935 20 0 JJADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(Br)c(F)cc1F ZINC001446324327 1066690515 /nfs/dbraw/zinc/69/05/15/1066690515.db2.gz PUKSHVFBKSYALK-HNNXBMFYSA-N 1 1 453.327 4.560 20 0 JJADMO Cc1cnn([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CCCC[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC001492620681 1066691455 /nfs/dbraw/zinc/69/14/55/1066691455.db2.gz JQIVXMGXUSKHBA-XZOQPEGZSA-N 1 1 455.695 4.868 20 0 JJADMO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001446355728 1066695656 /nfs/dbraw/zinc/69/56/56/1066695656.db2.gz NSKHIWTWYXIZQC-GOSISDBHSA-N 1 1 450.410 4.617 20 0 JJADMO CC[C@@H](Cn1c(C2CCCC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)c1ccccc1 ZINC001545985129 1066698484 /nfs/dbraw/zinc/69/84/84/1066698484.db2.gz VSSPEVOQTHDAMT-QFIPXVFZSA-N 1 1 453.675 4.924 20 0 JJADMO CC(C)[C@@H](NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC001446499389 1066711192 /nfs/dbraw/zinc/71/11/92/1066711192.db2.gz VFVIHJZKHDJRGD-HXUWFJFHSA-N 1 1 457.537 4.508 20 0 JJADMO Cc1cc(Nc2ccc3c(c2)CCCC3)c(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c(=O)[nH]1 ZINC001446514103 1066712936 /nfs/dbraw/zinc/71/29/36/1066712936.db2.gz HRACXMMZSTWXAP-FQEVSTJZSA-N 1 1 450.627 4.816 20 0 JJADMO CC[C@]1(C)CN(c2nnc(-c3cc(F)ccc3Br)n2CCC[N@@H+](C)C(C)C)CCO1 ZINC001546085485 1066715859 /nfs/dbraw/zinc/71/58/59/1066715859.db2.gz LYQDEVPMUPNTQI-JOCHJYFZSA-N 1 1 482.442 4.582 20 0 JJADMO Cc1ccc([C@@H](Cn2ccnc2)NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)c(C)c1 ZINC001446585732 1066723915 /nfs/dbraw/zinc/72/39/15/1066723915.db2.gz RABJHFIPOAHHLX-DNQXCXABSA-N 1 1 452.549 4.515 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(C)(C)C ZINC001446716663 1066734087 /nfs/dbraw/zinc/73/40/87/1066734087.db2.gz RUXZKSNPIIGFBM-MYDTUXCISA-N 1 1 457.659 4.733 20 0 JJADMO O=C([C@@H]1C[C@H]1c1c(F)cccc1F)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456981186 1066735008 /nfs/dbraw/zinc/73/50/08/1066735008.db2.gz DNGYSRKTCMUXSO-IPMKNSEASA-N 1 1 452.467 4.981 20 0 JJADMO CC[N@@H+](CCC1CCN(C(=O)c2cc(OC)c(OC)cc2Br)CC1)CC(C)C ZINC001446745590 1066735292 /nfs/dbraw/zinc/73/52/92/1066735292.db2.gz XGBZAEUWTQTWPU-UHFFFAOYSA-N 1 1 455.437 4.687 20 0 JJADMO CC[C@]1(C)CN(c2nnc(-c3cccc(OC)c3)n2CCCC[N@H+]2CCCC[C@H]2C)CCO1 ZINC001546085931 1066735425 /nfs/dbraw/zinc/73/54/25/1066735425.db2.gz VLIGMGFWXPOJKS-QFQXNSOFSA-N 1 1 455.647 4.614 20 0 JJADMO CC(C)(Oc1ccc(F)cc1)C(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456988727 1066736558 /nfs/dbraw/zinc/73/65/58/1066736558.db2.gz VDRUXGFTZFTLFK-LJQANCHMSA-N 1 1 452.492 4.896 20 0 JJADMO CC[C@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CCO1 ZINC001546086005 1066738071 /nfs/dbraw/zinc/73/80/71/1066738071.db2.gz XBYTVOYGUNWLMQ-VGOFRKELSA-N 1 1 496.519 4.895 20 0 JJADMO CCC[C@@H]1CN(C(=O)/C=C/[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001446813967 1066743990 /nfs/dbraw/zinc/74/39/90/1066743990.db2.gz JQCMYLVUXBIQKH-QREDHFMISA-N 1 1 455.643 4.703 20 0 JJADMO Cc1csc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)[N@@H+](C)C2CC2)c1 ZINC001492645495 1066745926 /nfs/dbraw/zinc/74/59/26/1066745926.db2.gz XXOKGBTVJWQHDM-IBGZPJMESA-N 1 1 466.655 4.636 20 0 JJADMO CC(C)[N@H+](Cc1ccc(NC(=O)c2csc(Br)n2)cc1)C[C@@H]1CCCCO1 ZINC001446837853 1066746901 /nfs/dbraw/zinc/74/69/01/1066746901.db2.gz PXMFDSZIJNVANW-KRWDZBQOSA-N 1 1 452.418 4.937 20 0 JJADMO C[C@H](Cc1cnc2ccccc2n1)C(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC001457038526 1066750094 /nfs/dbraw/zinc/75/00/94/1066750094.db2.gz NCCFDZTXBUBILC-HSZRJFAPSA-N 1 1 452.602 4.969 20 0 JJADMO Cc1csc(CN(C)c2nnc(Cc3ccsc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001492647708 1066752485 /nfs/dbraw/zinc/75/24/85/1066752485.db2.gz UQDSUIITDAQTRH-KDURUIRLSA-N 1 1 473.712 4.825 20 0 JJADMO Cc1csc(CN(C)c2nnc(COc3ccc(F)cc3)n2CCCn2cc[nH+]c2C)c1 ZINC001492648198 1066753449 /nfs/dbraw/zinc/75/34/49/1066753449.db2.gz MRGVPNANCRMWEO-UHFFFAOYSA-N 1 1 454.575 4.598 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC001457087709 1066758626 /nfs/dbraw/zinc/75/86/26/1066758626.db2.gz DVRCNPZVARDBBX-JPYJTQIMSA-N 1 1 454.039 4.957 20 0 JJADMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)n(-c2nccs2)c1C ZINC001545991466 1066764086 /nfs/dbraw/zinc/76/40/86/1066764086.db2.gz OWMCAXSYZMIYBF-UZUQRXQVSA-N 1 1 451.640 4.627 20 0 JJADMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)n(-c2nccs2)c1C ZINC001545991466 1066764097 /nfs/dbraw/zinc/76/40/97/1066764097.db2.gz OWMCAXSYZMIYBF-UZUQRXQVSA-N 1 1 451.640 4.627 20 0 JJADMO Cc1nc(C)c(CCn2c(CC(C)C)nnc2N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC001492656889 1066769971 /nfs/dbraw/zinc/76/99/71/1066769971.db2.gz OVNDCSLJGNCPMY-QFIPXVFZSA-N 1 1 452.672 4.503 20 0 JJADMO CC(C)(CO)[NH+]1CCN(C(=O)[C@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)CC1 ZINC001447055329 1066770307 /nfs/dbraw/zinc/77/03/07/1066770307.db2.gz BLHNEPBKJNFKKD-HXUWFJFHSA-N 1 1 453.435 4.742 20 0 JJADMO C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001447103034 1066773246 /nfs/dbraw/zinc/77/32/46/1066773246.db2.gz LJQZJJUCOGLUBJ-IKVWTGGYSA-N 1 1 468.013 4.672 20 0 JJADMO C[N@@H+](CCCOc1ccccc1CNC(=O)c1cnn(-c2ccc(F)cc2)c1)C1CCCC1 ZINC001457163689 1066777507 /nfs/dbraw/zinc/77/75/07/1066777507.db2.gz MWRBMCUYAQLAIM-UHFFFAOYSA-N 1 1 450.558 4.585 20 0 JJADMO Cc1nc(Cc2nnc(N(C)[C@H](C)c3ccc(F)c(F)c3)n2CC[N@H+]2CCC[C@@H]2C)cs1 ZINC001492661652 1066780794 /nfs/dbraw/zinc/78/07/94/1066780794.db2.gz KQQAFSNDTUPFDX-JKSUJKDBSA-N 1 1 460.598 4.594 20 0 JJADMO CCN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001457187043 1066782400 /nfs/dbraw/zinc/78/24/00/1066782400.db2.gz MSAWQJCTFXXAMS-QHCPKHFHSA-N 1 1 455.643 4.537 20 0 JJADMO Cc1nc(Cc2nnc(N(C)CC(F)(F)F)n2Cc2ccccc2C[N@H+](C)C(C)C)cs1 ZINC001492664982 1066785476 /nfs/dbraw/zinc/78/54/76/1066785476.db2.gz SMZKDLHHSBHREM-UHFFFAOYSA-N 1 1 466.577 4.521 20 0 JJADMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1nc(-c2ccco2)c(C)s1 ZINC001545993982 1066786046 /nfs/dbraw/zinc/78/60/46/1066786046.db2.gz KCRPPQQSIRVIPU-LAUBAEHRSA-N 1 1 452.624 4.717 20 0 JJADMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1nc(-c2ccco2)c(C)s1 ZINC001545993982 1066786054 /nfs/dbraw/zinc/78/60/54/1066786054.db2.gz KCRPPQQSIRVIPU-LAUBAEHRSA-N 1 1 452.624 4.717 20 0 JJADMO Cc1nc(Cc2nnc(N(C)Cc3ccccn3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)cs1 ZINC001492665447 1066786607 /nfs/dbraw/zinc/78/66/07/1066786607.db2.gz IYAQXOROOQWCSU-JOCHJYFZSA-N 1 1 482.057 4.622 20 0 JJADMO C[C@H](Cc1ccccc1)n1cccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001447304918 1066789997 /nfs/dbraw/zinc/78/99/97/1066789997.db2.gz GSUACKMUXNPNPG-ZSQFBXSQSA-N 1 1 450.671 4.701 20 0 JJADMO C[C@@H]1C[C@H](NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001457237563 1066796424 /nfs/dbraw/zinc/79/64/24/1066796424.db2.gz JDKAPOBMRYAYCB-SVTDKJBASA-N 1 1 453.671 4.801 20 0 JJADMO C[C@H]1C[C@@H](NC(=O)COc2ccc(Br)cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC001457237282 1066796493 /nfs/dbraw/zinc/79/64/93/1066796493.db2.gz HLPNYDDOIIHUBF-YJBOKZPZSA-N 1 1 451.792 4.651 20 0 JJADMO O=C([C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC001447399305 1066803849 /nfs/dbraw/zinc/80/38/49/1066803849.db2.gz HTHFHLXVHDVOPV-OAQYLSRUSA-N 1 1 450.385 4.836 20 0 JJADMO O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC001447399305 1066803868 /nfs/dbraw/zinc/80/38/68/1066803868.db2.gz HTHFHLXVHDVOPV-OAQYLSRUSA-N 1 1 450.385 4.836 20 0 JJADMO COc1ccc(CNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c(OC2CCCC2)c1 ZINC001457290861 1066805080 /nfs/dbraw/zinc/80/50/80/1066805080.db2.gz AQTFUTIDEROGEN-WOJBJXKFSA-N 1 1 452.595 4.556 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC001492673800 1066808045 /nfs/dbraw/zinc/80/80/45/1066808045.db2.gz BUXSVYWRJBTYMR-LJQANCHMSA-N 1 1 484.636 4.923 20 0 JJADMO CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NC(=O)OC(C)(C)C ZINC001545995678 1066808172 /nfs/dbraw/zinc/80/81/72/1066808172.db2.gz WSSIQOZMFVKECN-TUNNFDKTSA-N 1 1 488.721 4.623 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC(OCCC(C)C)CC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC001492676039 1066812000 /nfs/dbraw/zinc/81/20/00/1066812000.db2.gz SFHSFIBFDSHAEU-JOCHJYFZSA-N 1 1 488.746 4.786 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[C@@H](C(F)F)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)cs1 ZINC001492677160 1066815624 /nfs/dbraw/zinc/81/56/24/1066815624.db2.gz XLWVBGIUQYOYSL-FUHWJXTLSA-N 1 1 466.646 4.626 20 0 JJADMO CC[C@H]1CN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC001447515202 1066817206 /nfs/dbraw/zinc/81/72/06/1066817206.db2.gz XNAQAZOTAUQQGZ-FQEVSTJZSA-N 1 1 456.999 4.605 20 0 JJADMO CC[C@H]1CN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)CC[N@H+]1Cc1ccccc1 ZINC001447515202 1066817215 /nfs/dbraw/zinc/81/72/15/1066817215.db2.gz XNAQAZOTAUQQGZ-FQEVSTJZSA-N 1 1 456.999 4.605 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@@H](C)Oc2ccccc2F)cs1 ZINC001492678578 1066818807 /nfs/dbraw/zinc/81/88/07/1066818807.db2.gz ZOCAVJSZWAQFSB-GOSISDBHSA-N 1 1 486.661 4.551 20 0 JJADMO C[N@@H+](CCNC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)Cc1ccc(F)cc1 ZINC001457393013 1066821310 /nfs/dbraw/zinc/82/13/10/1066821310.db2.gz FBCDMMXYVVREMA-UHFFFAOYSA-N 1 1 454.977 4.796 20 0 JJADMO CC[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)OC ZINC001545997242 1066821425 /nfs/dbraw/zinc/82/14/25/1066821425.db2.gz LSDZOZBUMBVXBV-SQJMNOBHSA-N 1 1 471.665 4.914 20 0 JJADMO Cc1cc(CSc2ccccc2C(=O)Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)on1 ZINC001447568937 1066823127 /nfs/dbraw/zinc/82/31/27/1066823127.db2.gz QFJUHLLZDFZGSP-UHFFFAOYSA-N 1 1 451.592 4.657 20 0 JJADMO Cc1nc(Cc2nnc(N3CC[NH+](Cc4cccs4)CC3)n2CCCC(C)(C)C)cs1 ZINC001492681133 1066823673 /nfs/dbraw/zinc/82/36/73/1066823673.db2.gz LIHSZCQDZNSDMB-UHFFFAOYSA-N 1 1 458.701 4.844 20 0 JJADMO Cc1nc(Cc2nnc(N3CC[NH+](Cc4cccc(F)c4)CC3)n2CCCC(C)C)cs1 ZINC001492680993 1066823757 /nfs/dbraw/zinc/82/37/57/1066823757.db2.gz HTUYKDMNNNQMMM-UHFFFAOYSA-N 1 1 456.635 4.531 20 0 JJADMO C[C@H](CCNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001457421994 1066828010 /nfs/dbraw/zinc/82/80/10/1066828010.db2.gz MKGKLPBJDDJLGW-BUZMGHMJSA-N 1 1 457.659 4.972 20 0 JJADMO COc1ccc(-c2csc(CNC(=O)c3ccc(C[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)c2)cc1 ZINC001457426468 1066829873 /nfs/dbraw/zinc/82/98/73/1066829873.db2.gz PCNDWCZREGLALJ-RTBURBONSA-N 1 1 450.604 4.963 20 0 JJADMO CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)Nc3nc(C[NH+]4CCCCCC4)cs3)n[nH]2)c1C ZINC001457459695 1066835172 /nfs/dbraw/zinc/83/51/72/1066835172.db2.gz KHVAWXLYZXNDBJ-OAHLLOKOSA-N 1 1 455.632 4.946 20 0 JJADMO Cc1ccc(O[C@H](C)C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)c(Br)c1 ZINC001457460797 1066835862 /nfs/dbraw/zinc/83/58/62/1066835862.db2.gz QNRSKFVZGMTZDG-OAHLLOKOSA-N 1 1 452.418 4.996 20 0 JJADMO CC(C)N1CC[NH+](CCC(=O)Nc2ccc3c(c2)CCCN3Cc2ccc(Cl)cc2)CC1 ZINC001447662904 1066839271 /nfs/dbraw/zinc/83/92/71/1066839271.db2.gz KISUTXFWKMVERH-UHFFFAOYSA-N 1 1 455.046 4.647 20 0 JJADMO Cc1ncc(CN(C)c2nnc(-c3ccccc3Br)n2CC[N@@H+]2CCC[C@@H]2C)s1 ZINC001492695686 1066843515 /nfs/dbraw/zinc/84/35/15/1066843515.db2.gz KZNCIGVTXRZMKU-HNNXBMFYSA-N 1 1 475.460 4.593 20 0 JJADMO Cc1ncc(CN(C)c2nnc(-c3ccc(Br)cc3)n2CCC[N@H+](C)C(C)C)s1 ZINC001492695998 1066844623 /nfs/dbraw/zinc/84/46/23/1066844623.db2.gz SWZNPNSGVSDQEZ-UHFFFAOYSA-N 1 1 477.476 4.839 20 0 JJADMO CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC001457519063 1066850339 /nfs/dbraw/zinc/85/03/39/1066850339.db2.gz LRVFKUMLRZBOTL-LJQANCHMSA-N 1 1 452.986 4.850 20 0 JJADMO Cc1ncc(CN(C)c2nnc(Cc3ccccc3C)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)s1 ZINC001492698417 1066851772 /nfs/dbraw/zinc/85/17/72/1066851772.db2.gz WSZHFHBMASKIHU-JOCHJYFZSA-N 1 1 466.699 4.947 20 0 JJADMO CC[C@@H](NC(=O)CCCOc1ccc(C(C)(C)C)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001457548474 1066857850 /nfs/dbraw/zinc/85/78/50/1066857850.db2.gz UXPZWLIOIMVPRS-CLJLJLNGSA-N 1 1 452.639 4.939 20 0 JJADMO CC[C@@H](NC(=O)CCCOc1ccc(C(C)(C)C)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001457548474 1066857856 /nfs/dbraw/zinc/85/78/56/1066857856.db2.gz UXPZWLIOIMVPRS-CLJLJLNGSA-N 1 1 452.639 4.939 20 0 JJADMO CC[C@H](NC(=O)CCCCc1nc2ccccc2s1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001457546725 1066857950 /nfs/dbraw/zinc/85/79/50/1066857950.db2.gz SSJJQCIFFKECOE-JTHBVZDNSA-N 1 1 451.636 4.805 20 0 JJADMO CC[C@H](NC(=O)CCCCc1nc2ccccc2s1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001457546725 1066857958 /nfs/dbraw/zinc/85/79/58/1066857958.db2.gz SSJJQCIFFKECOE-JTHBVZDNSA-N 1 1 451.636 4.805 20 0 JJADMO CC[C@H](NC(=O)CCCOc1ccc(C(C)(C)C)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001457548480 1066858442 /nfs/dbraw/zinc/85/84/42/1066858442.db2.gz UXPZWLIOIMVPRS-IZZNHLLZSA-N 1 1 452.639 4.939 20 0 JJADMO CC[C@H](NC(=O)CCCOc1ccc(C(C)(C)C)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001457548480 1066858455 /nfs/dbraw/zinc/85/84/55/1066858455.db2.gz UXPZWLIOIMVPRS-IZZNHLLZSA-N 1 1 452.639 4.939 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c(CC(C)C)nnc2N(Cc2cccc(F)c2)C(C)C)cn1 ZINC001492704285 1066862458 /nfs/dbraw/zinc/86/24/58/1066862458.db2.gz XAECGTKKVOXEGL-UHFFFAOYSA-N 1 1 461.589 4.968 20 0 JJADMO CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC001447805914 1066862947 /nfs/dbraw/zinc/86/29/47/1066862947.db2.gz SNCQXSAJBPGNML-AWEZNQCLSA-N 1 1 454.398 4.689 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCS[C@@H](C)[C@H]2C)cc1F ZINC001492704336 1066863304 /nfs/dbraw/zinc/86/33/04/1066863304.db2.gz ZEQJIFXWHBZGNE-SJORKVTESA-N 1 1 456.635 4.878 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)s1 ZINC001492704432 1066863323 /nfs/dbraw/zinc/86/33/23/1066863323.db2.gz BPEOQKORSGDJJB-SFHVURJKSA-N 1 1 493.475 4.965 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(Br)s1 ZINC001492704558 1066863965 /nfs/dbraw/zinc/86/39/65/1066863965.db2.gz HERGUVZIJDFROM-QGZVFWFLSA-N 1 1 493.475 4.618 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2cccc(Br)c2)nnc1N1CCSC[C@H]1C ZINC001492705510 1066865440 /nfs/dbraw/zinc/86/54/40/1066865440.db2.gz IDFJHJXOUJICIK-MRXNPFEDSA-N 1 1 475.460 4.635 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001492705536 1066865463 /nfs/dbraw/zinc/86/54/63/1066865463.db2.gz JBBLQUOTEOOBKD-QGZVFWFLSA-N 1 1 495.981 4.657 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(C(C)C)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001492705886 1066866076 /nfs/dbraw/zinc/86/60/76/1066866076.db2.gz VHMJGSNPLJGAPH-OAQYLSRUSA-N 1 1 476.547 4.984 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c(COc3ccc(Cl)cc3)nnc2N(C)CC(C)(C)C)cn1 ZINC001492705736 1066866272 /nfs/dbraw/zinc/86/62/72/1066866272.db2.gz PUECKTOIQDHKSB-UHFFFAOYSA-N 1 1 480.016 4.930 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001492705617 1066866311 /nfs/dbraw/zinc/86/63/11/1066866311.db2.gz LUQNHOJFCJOHKM-RBUKOAKNSA-N 1 1 470.593 4.546 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(Cc2ccccc2F)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001492706055 1066866864 /nfs/dbraw/zinc/86/68/64/1066866864.db2.gz APALXWJFCGOGCM-JOCHJYFZSA-N 1 1 456.635 4.571 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H](C)C1 ZINC001492706197 1066867531 /nfs/dbraw/zinc/86/75/31/1066867531.db2.gz FYAHTEFSBYHIAP-GOSISDBHSA-N 1 1 487.446 4.841 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CC=CCC1 ZINC001492706177 1066867676 /nfs/dbraw/zinc/86/76/76/1066867676.db2.gz FOAXKGGUCSMNKV-RJGXRXQPSA-N 1 1 497.688 4.827 20 0 JJADMO O=C(N[C@@H](Cc1cccc(Br)c1)CC1CC1)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001447845485 1066868396 /nfs/dbraw/zinc/86/83/96/1066868396.db2.gz ICEHJKCLTPNMNB-DHIUTWEWSA-N 1 1 456.428 4.726 20 0 JJADMO O=C(N[C@@H](Cc1cccc(Br)c1)CC1CC1)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001447845485 1066868406 /nfs/dbraw/zinc/86/84/06/1066868406.db2.gz ICEHJKCLTPNMNB-DHIUTWEWSA-N 1 1 456.428 4.726 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(Cc2cccnc2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F ZINC001492706327 1066868534 /nfs/dbraw/zinc/86/85/34/1066868534.db2.gz JMLKHVYJYVPILL-SFHVURJKSA-N 1 1 465.552 4.725 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(CCCc2ccccc2)nnc1N1CCSC(C)(C)C1 ZINC001492706774 1066868910 /nfs/dbraw/zinc/86/89/10/1066868910.db2.gz ZOLGSTFKAVVVHZ-UHFFFAOYSA-N 1 1 452.672 4.771 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H](C)C1 ZINC001492707007 1066870097 /nfs/dbraw/zinc/87/00/97/1066870097.db2.gz IFYGJWCNHDVKKX-CQSZACIVSA-N 1 1 463.811 4.802 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001492707195 1066870131 /nfs/dbraw/zinc/87/01/31/1066870131.db2.gz NTTSWYAEZRYKDK-HXUWFJFHSA-N 1 1 487.446 4.554 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001492707461 1066870627 /nfs/dbraw/zinc/87/06/27/1066870627.db2.gz WGRXNKTUJLIMGA-QHCPKHFHSA-N 1 1 450.631 4.843 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)c1cccs1 ZINC001492707483 1066870820 /nfs/dbraw/zinc/87/08/20/1066870820.db2.gz XHQOANGIPBBDSA-HNNXBMFYSA-N 1 1 488.459 4.900 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(Br)s2)nnc1N(C)CC1CC(F)(F)C1 ZINC001492707350 1066870924 /nfs/dbraw/zinc/87/09/24/1066870924.db2.gz SMDMHHRGOWZUMT-UHFFFAOYSA-N 1 1 485.402 4.846 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001492707534 1066871512 /nfs/dbraw/zinc/87/15/12/1066871512.db2.gz YUQQMSRIVBRGOM-SFHVURJKSA-N 1 1 470.593 4.546 20 0 JJADMO C[N@H+]1CCC[C@H](c2cccc(C(=O)NCc3cc(Br)ccc3OC(F)F)c2)C1 ZINC001457588361 1066872040 /nfs/dbraw/zinc/87/20/40/1066872040.db2.gz RJSOATDINZQDCY-INIZCTEOSA-N 1 1 453.327 4.790 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(CC(C)(C)C)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC001492708557 1066872241 /nfs/dbraw/zinc/87/22/41/1066872241.db2.gz DWLZWYYAFBYHPC-IBGZPJMESA-N 1 1 479.629 4.616 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(CC(C)(C)C)nnc1N1CCC(OCc2ccccc2)CC1 ZINC001492708925 1066873157 /nfs/dbraw/zinc/87/31/57/1066873157.db2.gz QFDMNDCGQQUMFN-UHFFFAOYSA-N 1 1 450.631 4.648 20 0 JJADMO Cc1cc[nH+]c(N2CCN(C(=O)[C@H](C)SCc3ncc(-c4ccc(Cl)cc4)o3)CC2)c1 ZINC001457591054 1066873286 /nfs/dbraw/zinc/87/32/86/1066873286.db2.gz CVUDTERGASRXMJ-KRWDZBQOSA-N 1 1 456.999 4.669 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCSC(C)(C)C1 ZINC001492710108 1066874346 /nfs/dbraw/zinc/87/43/46/1066874346.db2.gz DICAURQVCJDKKQ-UHFFFAOYSA-N 1 1 468.671 4.907 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCc1cccs1 ZINC001492709951 1066874423 /nfs/dbraw/zinc/87/44/23/1066874423.db2.gz YNXTWWIITJMEPS-NRFANRHFSA-N 1 1 499.685 4.686 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001492710303 1066875086 /nfs/dbraw/zinc/87/50/86/1066875086.db2.gz KOTDWXUAGGZYLQ-KBPBESRZSA-N 1 1 463.811 4.658 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001492710347 1066875322 /nfs/dbraw/zinc/87/53/22/1066875322.db2.gz LXQYJDKCFSVADF-CQSZACIVSA-N 1 1 459.982 4.639 20 0 JJADMO Cc1nccn1CCn1c(CC(C)(C)C)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001492710832 1066877119 /nfs/dbraw/zinc/87/71/19/1066877119.db2.gz DCQOYJGIEBOYFT-QPPBQGQZSA-N 1 1 463.674 4.561 20 0 JJADMO CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NC[C@@H]3CCC[N@H+]3CC3CCCCC3)cc2C1 ZINC001457617859 1066880348 /nfs/dbraw/zinc/88/03/48/1066880348.db2.gz ZPTKQLYCOKWIML-DEOSSOPVSA-N 1 1 455.643 4.754 20 0 JJADMO Cc1sc([C@H](C)NC(=O)C2CC[NH+](Cc3nccn3C)CC2)nc1-c1ccc(Cl)cc1 ZINC001457618527 1066881057 /nfs/dbraw/zinc/88/10/57/1066881057.db2.gz WKPKRFHBGZEAHT-HNNXBMFYSA-N 1 1 458.031 4.595 20 0 JJADMO Cc1nn(C)c(C)c1CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCn1cc[nH+]c1C ZINC001492717260 1066883877 /nfs/dbraw/zinc/88/38/77/1066883877.db2.gz PBAVQHMTMBZNIG-IBGZPJMESA-N 1 1 497.047 4.653 20 0 JJADMO Cc1nn(C)c(C)c1CN(C)c1nnc(CC(C)(C)C)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001492719460 1066888755 /nfs/dbraw/zinc/88/87/55/1066888755.db2.gz MOQLKNPUJSPJIJ-QFIPXVFZSA-N 1 1 472.081 4.810 20 0 JJADMO C[NH+](C)[C@@H](CNC(=O)c1ccc(C(=O)c2cccc(O)c2)cc1)c1cccc(C(F)(F)F)c1 ZINC001448067237 1066895752 /nfs/dbraw/zinc/89/57/52/1066895752.db2.gz OUPDKEJWBURGPI-QFIPXVFZSA-N 1 1 456.464 4.675 20 0 JJADMO Cc1cc(C)n(-c2ccccc2Cn2c(CC(C)C)nnc2N2CCC[N@H+](C(C)(C)C)CC2)n1 ZINC001492729189 1066898904 /nfs/dbraw/zinc/89/89/04/1066898904.db2.gz WUWRSORJVDMFDX-UHFFFAOYSA-N 1 1 463.674 4.638 20 0 JJADMO COc1cc(/C=C(/C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c2ccccc2)ccc1O ZINC001448128590 1066903071 /nfs/dbraw/zinc/90/30/71/1066903071.db2.gz UYWUFWORCOJART-MMSVHKANSA-N 1 1 456.586 4.968 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cccc(O)c3)n2CCCC[N@H+]2CCCC[C@@H]2C)n1 ZINC001492732424 1066905222 /nfs/dbraw/zinc/90/52/22/1066905222.db2.gz OODIPPBAWGYRKJ-JTHBVZDNSA-N 1 1 479.673 4.697 20 0 JJADMO CC[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC[N@H+](C(C)C)CC1)Oc1cccc(F)c1 ZINC001546003326 1066907611 /nfs/dbraw/zinc/90/76/11/1066907611.db2.gz HKHYQIHBDPYAJA-JOCHJYFZSA-N 1 1 471.646 4.848 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC001492733781 1066907628 /nfs/dbraw/zinc/90/76/28/1066907628.db2.gz SLJORXCGVQHZQG-MIZPHKNDSA-N 1 1 455.695 4.665 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3c(F)cccc3Cl)n2CCCCn2cc[nH+]c2C)n1 ZINC001492734954 1066908320 /nfs/dbraw/zinc/90/83/20/1066908320.db2.gz FOINFJDTGYEPNS-UHFFFAOYSA-N 1 1 485.011 4.554 20 0 JJADMO Cc1cc2cc(C(=O)Nc3ccc(Cl)c(C[N@H+](C)CCO)c3)oc2c(Br)c1 ZINC001448231168 1066912329 /nfs/dbraw/zinc/91/23/29/1066912329.db2.gz ZPKZCRUERDLURA-UHFFFAOYSA-N 1 1 451.748 4.834 20 0 JJADMO Cc1cc2cc(C(=O)Nc3ccc(Cl)c(C[N@@H+](C)CCO)c3)oc2c(Br)c1 ZINC001448231168 1066912335 /nfs/dbraw/zinc/91/23/35/1066912335.db2.gz ZPKZCRUERDLURA-UHFFFAOYSA-N 1 1 451.748 4.834 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)CCC(F)(F)F)n2C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n1 ZINC001492738705 1066913459 /nfs/dbraw/zinc/91/34/59/1066913459.db2.gz HEPWRKRNOCHIOE-GHTZIAJQSA-N 1 1 495.619 4.673 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CC=C(C(C)(C)C)CC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)n1 ZINC001492742541 1066917959 /nfs/dbraw/zinc/91/79/59/1066917959.db2.gz DUCDMGODJZZFOO-NRFANRHFSA-N 1 1 467.706 4.834 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CC=C(C(C)(C)C)CC3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC001492743264 1066918968 /nfs/dbraw/zinc/91/89/68/1066918968.db2.gz NWQNXXMRNMMADM-QHCPKHFHSA-N 1 1 467.706 4.690 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCC(C(F)(F)F)CC3)n2CCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC001492744284 1066919688 /nfs/dbraw/zinc/91/96/88/1066919688.db2.gz LNDJANOFSZKSBN-LJQANCHMSA-N 1 1 481.611 4.573 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2Cc2cccc(C(F)F)c2)n1 ZINC001492746166 1066921884 /nfs/dbraw/zinc/92/18/84/1066921884.db2.gz JRUBFEVHXKQZET-UHFFFAOYSA-N 1 1 485.627 4.682 20 0 JJADMO CCc1ccc([C@H]2CN(C(=O)Cc3csc(COc4ccc(Cl)cc4)n3)CC[NH2+]2)cc1 ZINC001448452243 1066929281 /nfs/dbraw/zinc/92/92/81/1066929281.db2.gz RDOJWBYETWQNHD-JOCHJYFZSA-N 1 1 456.011 4.654 20 0 JJADMO CCc1ccc([C@H]2CN(C(=O)CC3(CC(=O)Nc4nccs4)CCCCC3)CC[NH2+]2)cc1 ZINC001448454273 1066929356 /nfs/dbraw/zinc/92/93/56/1066929356.db2.gz ULVGONAXSNMUDQ-OAQYLSRUSA-N 1 1 454.640 4.548 20 0 JJADMO Cc1nnc(CCCn2c(CC(C)C)nnc2N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)s1 ZINC001492766113 1066938498 /nfs/dbraw/zinc/93/84/98/1066938498.db2.gz BCJQPCNVIMBOEK-FQEVSTJZSA-N 1 1 473.735 4.750 20 0 JJADMO COc1ccc(OC(F)F)c(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)c1 ZINC001457900346 1066938922 /nfs/dbraw/zinc/93/89/22/1066938922.db2.gz AOEPGHQGAWQXTG-XZOQPEGZSA-N 1 1 458.549 4.851 20 0 JJADMO CC[C@]1(C)CN(c2nnc(Cc3ccccc3C)n2CCCC[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001546095044 1066940850 /nfs/dbraw/zinc/94/08/50/1066940850.db2.gz FDZIUFCQPQJCLR-WXVAWEFUSA-N 1 1 453.675 4.695 20 0 JJADMO CC[C@@]1(C)CN(c2nnc(Cc3ccccc3C)n2CCCC[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001546095042 1066941063 /nfs/dbraw/zinc/94/10/63/1066941063.db2.gz FDZIUFCQPQJCLR-AMGIVPHBSA-N 1 1 453.675 4.695 20 0 JJADMO Cc1nnc(N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492776168 1066946642 /nfs/dbraw/zinc/94/66/42/1066946642.db2.gz SQVRACAHAMITSI-CQWAJIKYSA-N 1 1 488.721 4.710 20 0 JJADMO Cc1nnc(N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492783476 1066948502 /nfs/dbraw/zinc/94/85/02/1066948502.db2.gz FASJQYHXMAXWKN-PEARBKPGSA-N 1 1 453.675 4.947 20 0 JJADMO Cc1nnc(N(C)CCCOc2ccc(F)cc2)n1C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001492786245 1066949027 /nfs/dbraw/zinc/94/90/27/1066949027.db2.gz JUNIVKJOISTCPC-CVDCTZTESA-N 1 1 457.619 4.776 20 0 JJADMO Cc1nnc(N(C)CCOc2cccc(Cl)c2)n1C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001492786296 1066949436 /nfs/dbraw/zinc/94/94/36/1066949436.db2.gz BVYHMFILOSKHFW-AVRDEDQJSA-N 1 1 460.047 4.900 20 0 JJADMO Cc1nnc(N(Cc2cc(Cl)ccc2Br)CC(C)C)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001492788524 1066949469 /nfs/dbraw/zinc/94/94/69/1066949469.db2.gz SPWNZQRTTAUPIA-FQEVSTJZSA-N 1 1 498.897 4.512 20 0 JJADMO Cc1nnc(N(C)CCCOc2ccc(F)cc2)n1C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001492786246 1066949582 /nfs/dbraw/zinc/94/95/82/1066949582.db2.gz JUNIVKJOISTCPC-WMZHIEFXSA-N 1 1 457.619 4.776 20 0 JJADMO CCCCCC[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC001448687780 1066951424 /nfs/dbraw/zinc/95/14/24/1066951424.db2.gz ODYHASGLLXELQQ-UXHICEINSA-N 1 1 452.481 4.773 20 0 JJADMO COc1cc(NC(=O)c2ccco2)c(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)cc1OC ZINC001448733501 1066954640 /nfs/dbraw/zinc/95/46/40/1066954640.db2.gz ADZYLKKQRCFKHP-UHFFFAOYSA-N 1 1 457.914 4.516 20 0 JJADMO Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1Cc1sccc1Br ZINC001492846734 1066957180 /nfs/dbraw/zinc/95/71/80/1066957180.db2.gz HBVFBAMPTBPVEE-NVXWUHKLSA-N 1 1 452.466 4.550 20 0 JJADMO O=C(N[C@H](Cc1ccccc1)C(=O)Nc1cc[nH+]c(N2CCCCC2)c1)OCc1ccccc1 ZINC001458028394 1066958666 /nfs/dbraw/zinc/95/86/66/1066958666.db2.gz SZHYQNLCXLEHPU-XMMPIXPASA-N 1 1 458.562 4.548 20 0 JJADMO C[C@@H]1C[C@H](CCNC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC001458055966 1066963065 /nfs/dbraw/zinc/96/30/65/1066963065.db2.gz DGHWVWCWTZMFIF-QUCCMNQESA-N 1 1 456.512 4.922 20 0 JJADMO C[C@@H]1C[C@@H](CCNC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)C[N@H+]1Cc1ccccc1 ZINC001458061100 1066965006 /nfs/dbraw/zinc/96/50/06/1066965006.db2.gz VJHUVRBPDXRCBK-UYAOXDASSA-N 1 1 453.533 4.969 20 0 JJADMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)Cc1cccc(Br)c1 ZINC001458091577 1066971911 /nfs/dbraw/zinc/97/19/11/1066971911.db2.gz ANHPPPUINZGMDF-OAQYLSRUSA-N 1 1 453.384 4.582 20 0 JJADMO CC[C@@H](c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545719642 1066973479 /nfs/dbraw/zinc/97/34/79/1066973479.db2.gz KDILCDCSPCMSIT-AOHZBQACSA-N 1 1 496.744 4.927 20 0 JJADMO CC[C@H](c1nnc(N(C)Cc2scnc2C)n1CC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001545722022 1066976978 /nfs/dbraw/zinc/97/69/78/1066976978.db2.gz MBSYCPZPIXMQGE-KNQAVFIVSA-N 1 1 452.672 4.953 20 0 JJADMO CC[C@@H](c1nnc(N(C)Cc2ccsc2)n1C[C@@H](C)[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001545724662 1066981607 /nfs/dbraw/zinc/98/16/07/1066981607.db2.gz VEJQKIUFKGJKPM-ZJSXRUAMSA-N 1 1 466.699 4.544 20 0 JJADMO CC[C@@H](c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CC1(C(C)C)CC1)c1ccccc1 ZINC001545726514 1066983390 /nfs/dbraw/zinc/98/33/90/1066983390.db2.gz RNCGFDFMASNDBB-HSZRJFAPSA-N 1 1 453.675 4.803 20 0 JJADMO CC[C@@H](c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CC1(C(C)C)CC1)c1ccccc1 ZINC001545726514 1066983393 /nfs/dbraw/zinc/98/33/93/1066983393.db2.gz RNCGFDFMASNDBB-HSZRJFAPSA-N 1 1 453.675 4.803 20 0 JJADMO CC[C@H](c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC1CCC(OC)CC1)c1ccccc1 ZINC001545726630 1066983723 /nfs/dbraw/zinc/98/37/23/1066983723.db2.gz UJPKIGQGELGWKW-DNAWOIJTSA-N 1 1 483.701 4.571 20 0 JJADMO CC[C@H](c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC1CCC(OC)CC1)c1ccccc1 ZINC001545726630 1066983733 /nfs/dbraw/zinc/98/37/33/1066983733.db2.gz UJPKIGQGELGWKW-DNAWOIJTSA-N 1 1 483.701 4.571 20 0 JJADMO CC[C@H](c1nnc(N(CC)[C@@H](C)C2CCC2)n1CC[N@@H+]1CCOCC1(C)C)c1ccccc1 ZINC001545727866 1066984751 /nfs/dbraw/zinc/98/47/51/1066984751.db2.gz AVDFCEFUEAVZAR-URXFXBBRSA-N 1 1 453.675 4.946 20 0 JJADMO CC[C@H](c1nnc(N(CC)[C@@H](C)C2CCC2)n1CC[N@H+]1CCOCC1(C)C)c1ccccc1 ZINC001545727866 1066984760 /nfs/dbraw/zinc/98/47/60/1066984760.db2.gz AVDFCEFUEAVZAR-URXFXBBRSA-N 1 1 453.675 4.946 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC001545730940 1066989180 /nfs/dbraw/zinc/98/91/80/1066989180.db2.gz IAUBKQNVCRCDLI-ZKMPZPQNSA-N 1 1 467.702 4.929 20 0 JJADMO Cc1ccc(O[C@H](C)C(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)c(Br)c1 ZINC001449228765 1066991164 /nfs/dbraw/zinc/99/11/64/1066991164.db2.gz OAJIXPQKUUZIRQ-YLJYHZDGSA-N 1 1 457.368 4.765 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1C[C@]1(O)CCCC1(C)C)c1ccccc1 ZINC001545731388 1066991258 /nfs/dbraw/zinc/99/12/58/1066991258.db2.gz NRRNIGFVHBRNTM-XMVJUMSVSA-N 1 1 453.675 4.680 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](C)C[C@H]2CC)n1CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC001545731469 1066991311 /nfs/dbraw/zinc/99/13/11/1066991311.db2.gz OQCXQKYYONEOGH-PEISPCAHSA-N 1 1 453.675 4.946 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1CCCNc1ccccn1)c1ccccc1 ZINC001545731968 1066992804 /nfs/dbraw/zinc/99/28/04/1066992804.db2.gz VSJSNBRKSCFLEJ-WMTXJRDZSA-N 1 1 461.658 4.636 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)n1CC[N@H+]1CCC[C@H]1C)c1ccccc1 ZINC001545733437 1066994383 /nfs/dbraw/zinc/99/43/83/1066994383.db2.gz BLZLMDSHOVFBET-JQYIIUTOSA-N 1 1 494.728 4.681 20 0 JJADMO CC[C@H](c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CC[N@@H+](C)C(C)C)c1ccccc1 ZINC001545734358 1066997210 /nfs/dbraw/zinc/99/72/10/1066997210.db2.gz REAGFMQIQFBFQS-FQEVSTJZSA-N 1 1 465.564 4.508 20 0 JJADMO C[NH+](C)[C@H](C(=O)NC[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001449310693 1066997849 /nfs/dbraw/zinc/99/78/49/1066997849.db2.gz MTVDBSONOPAEKC-VXKWHMMOSA-N 1 1 458.002 4.593 20 0 JJADMO C[NH+](C)[C@@H](C(=O)NC[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001449310688 1066997907 /nfs/dbraw/zinc/99/79/07/1066997907.db2.gz MTVDBSONOPAEKC-FGZHOGPDSA-N 1 1 458.002 4.593 20 0 JJADMO CC[C@H](c1nnc(N2CC=C(COC)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545734621 1066998127 /nfs/dbraw/zinc/99/81/27/1066998127.db2.gz WKJHSVAOKXPXBB-ZEVJAHDQSA-N 1 1 465.686 4.971 20 0 JJADMO CC[C@@H](c1nnc(N2CC[C@H](C)[C@H]2CC)n1C[C@H](C(C)C)[NH+]1CCOCC1)c1ccccc1 ZINC001545735520 1066998386 /nfs/dbraw/zinc/99/83/86/1066998386.db2.gz CKOPNFXMLWOEIT-KVZCNWPJSA-N 1 1 453.675 4.802 20 0 JJADMO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N3C[C@@H](c4ccccc4C)C[C@H]3C)c2c1C ZINC001458197788 1067001942 /nfs/dbraw/zinc/00/19/42/1067001942.db2.gz LPFYINPGLYABRG-AEFFLSMTSA-N 1 1 452.624 4.929 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(CNC(C)=O)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1)c1ccccc1 ZINC001545739401 1067005095 /nfs/dbraw/zinc/00/50/95/1067005095.db2.gz ZMHFIRKGXLKRHC-AHKZPQOWSA-N 1 1 494.728 4.541 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC001545740637 1067005864 /nfs/dbraw/zinc/00/58/64/1067005864.db2.gz BBBPJPKMBWSHRV-GBXCKJPGSA-N 1 1 496.700 4.796 20 0 JJADMO CC[C@H](c1nnc(N2CCC(F)(F)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545741796 1067008438 /nfs/dbraw/zinc/00/84/38/1067008438.db2.gz WQKXAXMXDZDAMM-ZVDOUQERSA-N 1 1 461.601 4.553 20 0 JJADMO CC[C@H](c1nnc(N2CCCC(C)(C)C2)n1C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001545745612 1067012540 /nfs/dbraw/zinc/01/25/40/1067012540.db2.gz DDYUXIGARRGOJL-ZCYQVOJMSA-N 1 1 466.718 4.720 20 0 JJADMO C[C@@H](Cc1cnc2ccccc2n1)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001458256714 1067014219 /nfs/dbraw/zinc/01/42/19/1067014219.db2.gz HZRXFFWSUBSFOY-INIZCTEOSA-N 1 1 457.405 4.896 20 0 JJADMO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@H]1CCN(c2ccccc2F)C1 ZINC001458263195 1067015764 /nfs/dbraw/zinc/01/57/64/1067015764.db2.gz YRFSOLVTHQFKKI-KRWDZBQOSA-N 1 1 450.385 4.740 20 0 JJADMO Cc1cn(CC(=O)Nc2ccc(C[N@H+](C[C@@H]3CCCCO3)C(C)C)cc2)nc1C(F)(F)F ZINC001458287017 1067021747 /nfs/dbraw/zinc/02/17/47/1067021747.db2.gz ZNTAYKBDDZTFIZ-FQEVSTJZSA-N 1 1 452.521 4.629 20 0 JJADMO Clc1cc(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)nc([C@@H]2CCCO2)n1 ZINC001458289930 1067022351 /nfs/dbraw/zinc/02/23/51/1067022351.db2.gz IBVZRKSGYQGMRI-KRWDZBQOSA-N 1 1 451.796 4.821 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC[C@@H]1CCO[C@H](C)C1)c1ccccc1 ZINC001545751510 1067024323 /nfs/dbraw/zinc/02/43/23/1067024323.db2.gz GXIWFWCYJXFALU-VDKIKQQVSA-N 1 1 453.675 4.946 20 0 JJADMO CC[C@@H](c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CC[N@H+]1CCCC[C@H]1CC)c1ccccc1 ZINC001545751627 1067024380 /nfs/dbraw/zinc/02/43/80/1067024380.db2.gz JDVCETDRQKGMLC-CLJLJLNGSA-N 1 1 494.728 4.779 20 0 JJADMO CC[C@@H](c1nnc(N2CCCN(C(C)=O)CC2)n1CCCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC001545751700 1067025140 /nfs/dbraw/zinc/02/51/40/1067025140.db2.gz KBIDFTSRBYYGJY-ZEQKJWHPSA-N 1 1 480.701 4.533 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H]1CC(F)(F)CO1)c1ccccc1 ZINC001545752231 1067027530 /nfs/dbraw/zinc/02/75/30/1067027530.db2.gz SVIUEEQGCMUMIZ-LEWJYISDSA-N 1 1 461.601 4.555 20 0 JJADMO CC[C@@H](c1nnc(N2CCCC[C@@H](C)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1)c1ccccc1 ZINC001545752526 1067028672 /nfs/dbraw/zinc/02/86/72/1067028672.db2.gz YRRMKIHUSBKBKD-QLBJFCOMSA-N 1 1 453.675 4.803 20 0 JJADMO CC[C@@H](c1nnc(N2CCCC[C@H](C)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1)c1ccccc1 ZINC001545752523 1067028702 /nfs/dbraw/zinc/02/87/02/1067028702.db2.gz YRRMKIHUSBKBKD-CAOCKLPOSA-N 1 1 453.675 4.803 20 0 JJADMO CC[C@H](Cn1c(N2CCC[N@H+](C(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 ZINC001546017495 1067030176 /nfs/dbraw/zinc/03/01/76/1067030176.db2.gz VRGWNPILWRTZIB-QDPGVEIFSA-N 1 1 483.701 4.823 20 0 JJADMO CC[C@@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC[N@@H+](CC)C(C)C)c1ccccc1 ZINC001545754645 1067031463 /nfs/dbraw/zinc/03/14/63/1067031463.db2.gz RRLIUFNKGUYWNA-ISKFKSNPSA-N 1 1 498.716 4.996 20 0 JJADMO CC[C@@]1(C)CN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCCn2cc[nH+]c2C)CCO1 ZINC001546099553 1067034228 /nfs/dbraw/zinc/03/42/28/1067034228.db2.gz HMYILUXYRUOXIJ-MHZLTWQESA-N 1 1 480.657 4.889 20 0 JJADMO C[N@@H+]1CCN(C(=O)c2ccccc2C(=O)c2ccc(Br)cc2)CC12CCCCC2 ZINC001449891396 1067034554 /nfs/dbraw/zinc/03/45/54/1067034554.db2.gz IONDTRNULATYAZ-UHFFFAOYSA-N 1 1 455.396 4.771 20 0 JJADMO C[N@H+]1CCN(C(=O)c2ccccc2C(=O)c2ccc(Br)cc2)CC12CCCCC2 ZINC001449891396 1067034569 /nfs/dbraw/zinc/03/45/69/1067034569.db2.gz IONDTRNULATYAZ-UHFFFAOYSA-N 1 1 455.396 4.771 20 0 JJADMO CC[C@H](c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC001545758177 1067037062 /nfs/dbraw/zinc/03/70/62/1067037062.db2.gz BAJALHKXWMLQRH-GGAORHGYSA-N 1 1 492.634 4.625 20 0 JJADMO FC(F)(F)c1ccc(I)c(NC[C@@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC001458346997 1067037773 /nfs/dbraw/zinc/03/77/73/1067037773.db2.gz NCWLIVNBTZDGQI-ZDUSSCGKSA-N 1 1 453.290 4.914 20 0 JJADMO CC[C@@H](c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC001545758896 1067040609 /nfs/dbraw/zinc/04/06/09/1067040609.db2.gz OWNXEHMENKMAFU-RBBKRZOGSA-N 1 1 484.689 4.654 20 0 JJADMO CC[C@@H](c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@H]1CC[C@H](F)C1)c1ccccc1 ZINC001545759305 1067041926 /nfs/dbraw/zinc/04/19/26/1067041926.db2.gz WDMRSBPCKAORRT-OEMFJLHTSA-N 1 1 457.638 4.505 20 0 JJADMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 ZINC001450021666 1067042442 /nfs/dbraw/zinc/04/24/42/1067042442.db2.gz OMVSJAILOYNOCK-WIYYLYMNSA-N 1 1 453.435 4.790 20 0 JJADMO CC[C@@H](c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@H](C)SC)c1ccccc1 ZINC001545759446 1067042593 /nfs/dbraw/zinc/04/25/93/1067042593.db2.gz XZSWSBPCESOKQB-SIKLNZKXSA-N 1 1 455.697 4.955 20 0 JJADMO O=C([C@@H](c1ccccc1)[NH+]1CCSCC1)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC001450027767 1067042602 /nfs/dbraw/zinc/04/26/02/1067042602.db2.gz LCPVDZVMBOMIEW-GOSISDBHSA-N 1 1 455.571 4.658 20 0 JJADMO CC[C@H](c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CC[N@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001545760563 1067043535 /nfs/dbraw/zinc/04/35/35/1067043535.db2.gz FUZQGIDWRXIHLZ-LEWJYISDSA-N 1 1 479.591 4.710 20 0 JJADMO CC[C@@H](c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CC[N@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001545760564 1067043638 /nfs/dbraw/zinc/04/36/38/1067043638.db2.gz FUZQGIDWRXIHLZ-NHCUHLMSSA-N 1 1 479.591 4.710 20 0 JJADMO C[N@@H+](CCc1cccc(NC(=O)c2nn(-c3ccccc3F)cc2Br)c1)C1CC1 ZINC001458375571 1067045759 /nfs/dbraw/zinc/04/57/59/1067045759.db2.gz LNRZMJBTYUMFHU-UHFFFAOYSA-N 1 1 457.347 4.663 20 0 JJADMO CC[C@@]1(C)CN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC[N@H+]2CCC[C@H]2C)CCO1 ZINC001546100255 1067052583 /nfs/dbraw/zinc/05/25/83/1067052583.db2.gz VTCKVNPLYMTSIC-RLWLMLJZSA-N 1 1 490.092 4.741 20 0 JJADMO COc1ccc(-c2nnc(NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3CC(C)C)s2)cc1 ZINC001458421468 1067057201 /nfs/dbraw/zinc/05/72/01/1067057201.db2.gz OUZFRRLNPXOHFK-IFMALSPDSA-N 1 1 450.608 4.947 20 0 JJADMO CCC(CC)(Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)OC ZINC001545771035 1067057263 /nfs/dbraw/zinc/05/72/63/1067057263.db2.gz DAYUZIDVZRSFCC-KCWPFWIISA-N 1 1 499.700 4.541 20 0 JJADMO Cc1ccc(C2(C(=O)NC[C@H]3CC[N@H+](C)[C@H]3c3ccc(Cl)c(F)c3)CCOCC2)cc1C ZINC001458445444 1067062394 /nfs/dbraw/zinc/06/23/94/1067062394.db2.gz CGVYLKKBNCABLY-YKSBVNFPSA-N 1 1 459.005 4.953 20 0 JJADMO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(Cl)nc2C(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458445837 1067062537 /nfs/dbraw/zinc/06/25/37/1067062537.db2.gz FEFADERTNZNQNX-BZNIZROVSA-N 1 1 450.263 4.969 20 0 JJADMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(Cl)nc2C(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458445837 1067062551 /nfs/dbraw/zinc/06/25/51/1067062551.db2.gz FEFADERTNZNQNX-BZNIZROVSA-N 1 1 450.263 4.969 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001450240261 1067062943 /nfs/dbraw/zinc/06/29/43/1067062943.db2.gz OQKWHSGPAXMYIY-KWDCZQRMSA-N 1 1 455.643 4.726 20 0 JJADMO CCC(CC)(Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[NH+](CCOC)CC1)SC ZINC001545773101 1067063488 /nfs/dbraw/zinc/06/34/88/1067063488.db2.gz WSGOHXIMIOLQFM-IBGZPJMESA-N 1 1 491.771 4.822 20 0 JJADMO CN1CC[C@H](CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458448346 1067063616 /nfs/dbraw/zinc/06/36/16/1067063616.db2.gz ODMMGAXLFGRGBB-ZJSXRUAMSA-N 1 1 458.021 4.890 20 0 JJADMO CN1CC[C@H](CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458448339 1067063948 /nfs/dbraw/zinc/06/39/48/1067063948.db2.gz ODMMGAXLFGRGBB-QPPBQGQZSA-N 1 1 458.021 4.890 20 0 JJADMO CC(C)[C@@H](C(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001450403983 1067076605 /nfs/dbraw/zinc/07/66/05/1067076605.db2.gz HZQVVPUQKYITSQ-JWWGGVBKSA-N 1 1 456.549 4.518 20 0 JJADMO CC(C)[C@@H](C(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001450403983 1067076619 /nfs/dbraw/zinc/07/66/19/1067076619.db2.gz HZQVVPUQKYITSQ-JWWGGVBKSA-N 1 1 456.549 4.518 20 0 JJADMO CCOc1ccc([C@H](O)C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3cccc(F)c3)CC2)cc1 ZINC001450418041 1067079543 /nfs/dbraw/zinc/07/95/43/1067079543.db2.gz VCNBWKOKUBJXRT-UIOOFZCWSA-N 1 1 454.586 4.551 20 0 JJADMO CCOc1ccc([C@H](O)C2CCN(C(=O)[C@@H]3CCCC[N@H+]3Cc3cccc(F)c3)CC2)cc1 ZINC001450418041 1067079547 /nfs/dbraw/zinc/07/95/47/1067079547.db2.gz VCNBWKOKUBJXRT-UIOOFZCWSA-N 1 1 454.586 4.551 20 0 JJADMO CCC(CC)(Cn1c([C@H]2CCCCO2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1)SC ZINC001545783963 1067079641 /nfs/dbraw/zinc/07/96/41/1067079641.db2.gz HJGJBJLHJONRNI-OAQYLSRUSA-N 1 1 451.725 4.998 20 0 JJADMO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC001458535544 1067083572 /nfs/dbraw/zinc/08/35/72/1067083572.db2.gz GNCQBBZUQZXERC-ALBFYNPWSA-N 1 1 460.643 4.825 20 0 JJADMO CCC(CC)(Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[N@H+](C2CCCC2)CC1)OC ZINC001545788210 1067084155 /nfs/dbraw/zinc/08/41/55/1067084155.db2.gz MPUNLHOHKRORAK-UHFFFAOYSA-N 1 1 475.628 4.807 20 0 JJADMO CC(C)c1ccc(C[NH+]2CCN(C(=O)Cc3c(F)ccc(Br)c3F)CC2)cc1 ZINC001450524452 1067086072 /nfs/dbraw/zinc/08/60/72/1067086072.db2.gz NZTKRHVCSFIGIO-UHFFFAOYSA-N 1 1 451.355 4.738 20 0 JJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@H](C(=O)OC(C)(C)C)C2)n1 ZINC001458552082 1067086858 /nfs/dbraw/zinc/08/68/58/1067086858.db2.gz YIZWYHXHFKEVBO-SFHVURJKSA-N 1 1 452.624 4.978 20 0 JJADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCC[C@H](COc4ccccc4Cl)C3)cc2)C[C@@H](C)O1 ZINC001458593476 1067091848 /nfs/dbraw/zinc/09/18/48/1067091848.db2.gz MOXPPDHTWDTEBL-SJBKTWHCSA-N 1 1 457.014 4.880 20 0 JJADMO CCN(C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001458671110 1067105107 /nfs/dbraw/zinc/10/51/07/1067105107.db2.gz RZWSPCRLNAFAPB-QFIPXVFZSA-N 1 1 452.986 4.836 20 0 JJADMO CC(C)OCc1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)ccc1O ZINC001450737861 1067113654 /nfs/dbraw/zinc/11/36/54/1067113654.db2.gz GDCYZLSVRKYVCE-FGZHOGPDSA-N 1 1 451.592 4.628 20 0 JJADMO C[C@@H]1[C@H](NC(=O)CCCCC2CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001450789490 1067121099 /nfs/dbraw/zinc/12/10/99/1067121099.db2.gz JOBYHXMSEWGVQU-ZJSXRUAMSA-N 1 1 457.659 4.973 20 0 JJADMO C[C@H]1[C@H](NC(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)CC[N@H+]1Cc1ccccc1 ZINC001450796597 1067122503 /nfs/dbraw/zinc/12/25/03/1067122503.db2.gz OYKZQCYYPJEJMR-GAJHUEQPSA-N 1 1 452.549 4.976 20 0 JJADMO Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NC[C@@H]1CCCC[N@@H+](Cc3ccccc3)C1)O2 ZINC001450846971 1067131680 /nfs/dbraw/zinc/13/16/80/1067131680.db2.gz KQYWCKDPLOZBSC-NEKDWFFYSA-N 1 1 450.623 4.820 20 0 JJADMO CCC1(CC)CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001546103291 1067133515 /nfs/dbraw/zinc/13/35/15/1067133515.db2.gz FVKLFHUTCRAZCX-URXFXBBRSA-N 1 1 487.664 4.931 20 0 JJADMO CC(C)(C)OC(=O)c1ccc(COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1 ZINC001458768109 1067136019 /nfs/dbraw/zinc/13/60/19/1067136019.db2.gz MUGHFACIJAISPG-IZZNHLLZSA-N 1 1 472.585 4.996 20 0 JJADMO C[N@@H+]1CC[C@H](NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)[C@H]1c1ccc(F)cc1 ZINC001545811289 1067139636 /nfs/dbraw/zinc/13/96/36/1067139636.db2.gz RCHIUCLZEFEOEU-QFBILLFUSA-N 1 1 450.739 4.898 20 0 JJADMO C[N@H+]1CC[C@H](NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)[C@H]1c1ccc(F)cc1 ZINC001545811289 1067139640 /nfs/dbraw/zinc/13/96/40/1067139640.db2.gz RCHIUCLZEFEOEU-QFBILLFUSA-N 1 1 450.739 4.898 20 0 JJADMO CCC(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2ccccc2C)CC1)[NH+](C)C ZINC001545814538 1067142384 /nfs/dbraw/zinc/14/23/84/1067142384.db2.gz CKQLZEGGBDYADJ-IZZNHLLZSA-N 1 1 482.717 4.517 20 0 JJADMO C[N@H+]1CCC[C@H](CCNC(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)C1 ZINC001451087452 1067145333 /nfs/dbraw/zinc/14/53/33/1067145333.db2.gz LRXRSPOGYDKFMW-MRXNPFEDSA-N 1 1 453.384 4.521 20 0 JJADMO CCC(O)(CC)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001546029632 1067155175 /nfs/dbraw/zinc/15/51/75/1067155175.db2.gz LMWGQZLOUWFLRC-SFTDATJTSA-N 1 1 457.638 4.726 20 0 JJADMO CCC(CC)[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN2CCCC[C@H]2C1)[NH+](C)C ZINC001545819682 1067155627 /nfs/dbraw/zinc/15/56/27/1067155627.db2.gz KJNYRRMMZYWDGK-LADGPHEKSA-N 1 1 489.108 4.551 20 0 JJADMO CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001451254695 1067156229 /nfs/dbraw/zinc/15/62/29/1067156229.db2.gz OGUPICGBQPOFOB-OFNKIYASSA-N 1 1 453.602 4.920 20 0 JJADMO CN(C(=O)OC(C)(C)C)[C@H](C(=O)NCC[N@H+]1CCCC1(C)C)c1cccc(Cl)c1Cl ZINC001451299724 1067157933 /nfs/dbraw/zinc/15/79/33/1067157933.db2.gz ITBRBSLGXYHZFF-SFHVURJKSA-N 1 1 458.430 4.892 20 0 JJADMO C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001458833554 1067162439 /nfs/dbraw/zinc/16/24/39/1067162439.db2.gz CDZPJLWENDIHNA-GEWZQDGLSA-N 1 1 458.046 4.504 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2cccs2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001545825932 1067172260 /nfs/dbraw/zinc/17/22/60/1067172260.db2.gz AMXVSQNSTNCMQD-LJQANCHMSA-N 1 1 480.682 4.514 20 0 JJADMO O=C(NCc1cccc(Br)c1Cl)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC001451519126 1067175955 /nfs/dbraw/zinc/17/59/55/1067175955.db2.gz ALQLZLUHQPHWOF-MRXNPFEDSA-N 1 1 457.746 4.876 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCc3ccccc32)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001545829548 1067179850 /nfs/dbraw/zinc/17/98/50/1067179850.db2.gz AAXIOCTWLYERKY-OFVILXPXSA-N 1 1 480.701 4.688 20 0 JJADMO CC(C)(C)OC(=O)CC[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)C1 ZINC001451650164 1067182292 /nfs/dbraw/zinc/18/22/92/1067182292.db2.gz WIHFAVLDJUAZOL-AYRHNUGRSA-N 1 1 477.649 4.658 20 0 JJADMO C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1)c1cccc(C(F)(F)F)c1 ZINC001458875663 1067182422 /nfs/dbraw/zinc/18/24/22/1067182422.db2.gz LFKGUBOUDLJVDR-SXSPYAJSSA-N 1 1 453.593 4.995 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(CC)C2CCCC2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001545843781 1067195704 /nfs/dbraw/zinc/19/57/04/1067195704.db2.gz ITMPZWKTJXRBTO-HSZRJFAPSA-N 1 1 458.695 4.763 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H](C)C2)n1CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001545848527 1067200115 /nfs/dbraw/zinc/20/01/15/1067200115.db2.gz CASVQVXISFREJK-JTOYRKQZSA-N 1 1 480.701 4.589 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)CC[C@@H]2C)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001545849430 1067203092 /nfs/dbraw/zinc/20/30/92/1067203092.db2.gz OLDBDTHSDOWWAU-SFTDATJTSA-N 1 1 468.690 4.710 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001545849428 1067203195 /nfs/dbraw/zinc/20/31/95/1067203195.db2.gz OLDBDTHSDOWWAU-NHCUHLMSSA-N 1 1 468.690 4.710 20 0 JJADMO CCC(O)(CC)Cn1c(CC(C)(C)C)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001546035185 1067203580 /nfs/dbraw/zinc/20/35/80/1067203580.db2.gz MYTDFBWZKIZUAP-UHFFFAOYSA-N 1 1 455.691 4.766 20 0 JJADMO CCC1(CC)CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC[N@@H+](C)CCOC)C1 ZINC001546105087 1067207536 /nfs/dbraw/zinc/20/75/36/1067207536.db2.gz UPBBPVQXRNEUEU-IBGZPJMESA-N 1 1 459.704 4.726 20 0 JJADMO C[N@H+]1C[C@@H](CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)[C@H](c2ccccc2)C1 ZINC001452178686 1067212043 /nfs/dbraw/zinc/21/20/43/1067212043.db2.gz JYPOFMQUYSKIDC-SGNDLWITSA-N 1 1 457.659 4.559 20 0 JJADMO C[N@H+]1C[C@@H](CNC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)[C@H](c2ccccc2)C1 ZINC001452177310 1067212194 /nfs/dbraw/zinc/21/21/94/1067212194.db2.gz POPYBFJTORCBOJ-NOZRDPDXSA-N 1 1 479.690 4.550 20 0 JJADMO CCC1(CC)CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001546105220 1067212506 /nfs/dbraw/zinc/21/25/06/1067212506.db2.gz ZDLOIHMMNINKFV-QFIPXVFZSA-N 1 1 487.092 4.558 20 0 JJADMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC001458976053 1067214759 /nfs/dbraw/zinc/21/47/59/1067214759.db2.gz WCNCXBVUSVHKGU-OAQYLSRUSA-N 1 1 458.480 4.986 20 0 JJADMO Cc1cc(C(C)(C)C)ccc1OCCCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001458975634 1067214903 /nfs/dbraw/zinc/21/49/03/1067214903.db2.gz TUKDRMPVRRSHEN-VWLOTQADSA-N 1 1 452.639 4.859 20 0 JJADMO O=C(CSc1cccc2cccc(Cl)c21)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001458977491 1067215839 /nfs/dbraw/zinc/21/58/39/1067215839.db2.gz YIYRRFFEMPLUPB-NRFANRHFSA-N 1 1 455.023 4.993 20 0 JJADMO COCC[N@H+]1[C@H](C)CN(C(=O)c2oc3ccccc3c2CSc2nc(C)cs2)C[C@@H]1C ZINC001452261207 1067216712 /nfs/dbraw/zinc/21/67/12/1067216712.db2.gz STZRYOMSFNDWPV-CALCHBBNSA-N 1 1 459.637 4.671 20 0 JJADMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2oc3ccccc3c2CSc2nc(C)cs2)C[C@@H]1C ZINC001452261207 1067216719 /nfs/dbraw/zinc/21/67/19/1067216719.db2.gz STZRYOMSFNDWPV-CALCHBBNSA-N 1 1 459.637 4.671 20 0 JJADMO CCC(O)(CC)Cn1c(Cc2csc(C)n2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001546038696 1067224836 /nfs/dbraw/zinc/22/48/36/1067224836.db2.gz WHAYKVYWUMSWHT-FQEVSTJZSA-N 1 1 488.746 4.666 20 0 JJADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)COc2cc(Br)ccc2Cl)CC1 ZINC001459001735 1067226184 /nfs/dbraw/zinc/22/61/84/1067226184.db2.gz RCUXARFTKKKVGX-UHFFFAOYSA-N 1 1 451.792 4.524 20 0 JJADMO CCC(O)(CC)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001546039742 1067229988 /nfs/dbraw/zinc/22/99/88/1067229988.db2.gz JNZFDLLHIGYOPI-BJKOFHAPSA-N 1 1 483.701 4.807 20 0 JJADMO CC(=O)Nc1cc(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)cc(C(F)(F)F)c1 ZINC001459071441 1067244370 /nfs/dbraw/zinc/24/43/70/1067244370.db2.gz JLDKDAISCOQKKL-UHFFFAOYSA-N 1 1 458.278 4.740 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(CN(C)C(=O)c3cccc(Oc4nccs4)c3)cc2)C[C@H](C)O1 ZINC001452691839 1067244502 /nfs/dbraw/zinc/24/45/02/1067244502.db2.gz OLRDYZFBNDPAEZ-KDURUIRLSA-N 1 1 451.592 4.817 20 0 JJADMO CC1(C)[C@@H](NC(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)C[C@@H]1[NH+]1CCOCC1 ZINC001452714118 1067246047 /nfs/dbraw/zinc/24/60/47/1067246047.db2.gz MXLFDRFAMUCPFD-SFTDATJTSA-N 1 1 450.476 4.741 20 0 JJADMO CCC(O)(CC)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001546043665 1067249503 /nfs/dbraw/zinc/24/95/03/1067249503.db2.gz ZUKJVXYZGJZBQU-MOUTVQLLSA-N 1 1 489.749 4.839 20 0 JJADMO Cc1cccc(-c2noc(SCC(=O)N3C[C@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)[C@H]3C)n2)c1 ZINC001452777944 1067251318 /nfs/dbraw/zinc/25/13/18/1067251318.db2.gz SGODDXOQDSVUSN-SLFFLAALSA-N 1 1 450.608 4.647 20 0 JJADMO Cc1cccc(-c2noc(SCC(=O)N3C[C@H](C)[N@H+](Cc4ccccc4)[C@@H](C)[C@H]3C)n2)c1 ZINC001452777944 1067251325 /nfs/dbraw/zinc/25/13/25/1067251325.db2.gz SGODDXOQDSVUSN-SLFFLAALSA-N 1 1 450.608 4.647 20 0 JJADMO Cc1sc2ncnc(SCC(=O)N3C[C@H](C)[N@H+](Cc4ccccc4)[C@@H](C)[C@@H]3C)c2c1C ZINC001452779556 1067251989 /nfs/dbraw/zinc/25/19/89/1067251989.db2.gz XVLKRQVGRMBYMJ-SZMVWBNQSA-N 1 1 454.665 4.910 20 0 JJADMO CCOC(=O)c1nc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)oc1C ZINC001459228081 1067273856 /nfs/dbraw/zinc/27/38/56/1067273856.db2.gz ODORQOCNONBKDO-LEWJYISDSA-N 1 1 467.953 4.667 20 0 JJADMO C[N@@H+](Cc1ccc2nc(NC(=O)[C@@]3(C)CCCN(C(=O)OC(C)(C)C)C3)sc2c1)C1CC1 ZINC001453112967 1067279278 /nfs/dbraw/zinc/27/92/78/1067279278.db2.gz UWNLEDADMICFLA-DEOSSOPVSA-N 1 1 458.628 4.866 20 0 JJADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3nnc(Cc4ccc(Cl)cc4)s3)cc2)C[C@@H](C)O1 ZINC001459283101 1067282531 /nfs/dbraw/zinc/28/25/31/1067282531.db2.gz WNOXAAIVVSDJFX-HZPDHXFCSA-N 1 1 456.999 4.644 20 0 JJADMO COc1cc(C[N@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C2CC2)ccc1OC(F)F ZINC001459307919 1067289934 /nfs/dbraw/zinc/28/99/34/1067289934.db2.gz GAIGXANYIWQNHD-UHFFFAOYSA-N 1 1 459.537 4.890 20 0 JJADMO COc1cc(C[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C2CC2)ccc1OC(F)F ZINC001459307919 1067289940 /nfs/dbraw/zinc/28/99/40/1067289940.db2.gz GAIGXANYIWQNHD-UHFFFAOYSA-N 1 1 459.537 4.890 20 0 JJADMO CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](C[N@H+]1CCC[C@H]1c1cccc(Br)c1)O2 ZINC001459316668 1067292166 /nfs/dbraw/zinc/29/21/66/1067292166.db2.gz BKUWTBAYIPROHA-OALUTQOASA-N 1 1 451.405 4.755 20 0 JJADMO C[N@H+](CC(=O)NCc1ccccc1COc1ccccc1)Cc1cccc(Br)c1 ZINC001459345414 1067298997 /nfs/dbraw/zinc/29/89/97/1067298997.db2.gz IOMGJTUHONQRMQ-UHFFFAOYSA-N 1 1 453.380 4.776 20 0 JJADMO C[N@@H+](CC(=O)NCc1ccccc1COc1ccccc1)Cc1cccc(Br)c1 ZINC001459345414 1067299004 /nfs/dbraw/zinc/29/90/04/1067299004.db2.gz IOMGJTUHONQRMQ-UHFFFAOYSA-N 1 1 453.380 4.776 20 0 JJADMO CC(C)(C)c1cc(NC(=O)CN2CCC[N@@H+](CC3CCCCC3)CC2)n(-c2ccccc2)n1 ZINC001459345883 1067299493 /nfs/dbraw/zinc/29/94/93/1067299493.db2.gz UHQLZPFHXSSCHN-UHFFFAOYSA-N 1 1 451.659 4.696 20 0 JJADMO Cc1cc(C[N@@H+](C)CC(=O)N(C)c2nc3ccccc3s2)cc(C)c1OCC(F)(F)F ZINC001459349272 1067300702 /nfs/dbraw/zinc/30/07/02/1067300702.db2.gz JISSZZGSNKJIFA-UHFFFAOYSA-N 1 1 451.514 4.949 20 0 JJADMO Cc1cc(C[N@H+](C)CC(=O)N(C)c2nc3ccccc3s2)cc(C)c1OCC(F)(F)F ZINC001459349272 1067300708 /nfs/dbraw/zinc/30/07/08/1067300708.db2.gz JISSZZGSNKJIFA-UHFFFAOYSA-N 1 1 451.514 4.949 20 0 JJADMO CN(C[C@H](O)C[N@@H+](Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1)CC(F)(F)F ZINC001459349093 1067300821 /nfs/dbraw/zinc/30/08/21/1067300821.db2.gz KUKCPHOGCORVJA-HNNXBMFYSA-N 1 1 450.423 4.785 20 0 JJADMO CC(C)(C)OC(=O)N1CCO[C@H](c2ccc(NC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)cc2)C1 ZINC001453394987 1067303040 /nfs/dbraw/zinc/30/30/40/1067303040.db2.gz GBLDHGUMHTWALG-PKTZIBPZSA-N 1 1 457.615 4.731 20 0 JJADMO CC[N@@H+](Cc1cccc(Br)c1)CC1(O)C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001459370917 1067305364 /nfs/dbraw/zinc/30/53/64/1067305364.db2.gz OAFBANFYLJVCAK-QIDMFYOTSA-N 1 1 453.421 4.564 20 0 JJADMO CCC[N@@H+](CCC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccccc1Br ZINC001459383381 1067309029 /nfs/dbraw/zinc/30/90/29/1067309029.db2.gz RVYCILCCKKNMFB-UHFFFAOYSA-N 1 1 458.400 4.582 20 0 JJADMO CC[C@@]1(C)CC[C@@H](Cn2c(-c3ccccc3OC)nnc2N2CCC[N@H+](C(C)(C)C)CC2)O1 ZINC001546052162 1067310325 /nfs/dbraw/zinc/31/03/25/1067310325.db2.gz SJKPBMPGJBZPNX-FNZWTVRRSA-N 1 1 455.647 4.612 20 0 JJADMO CC[C@@]1(C)CC[C@H](Cn2c(-c3ccccc3OC)nnc2N2CCC[N@H+](C(C)(C)C)CC2)O1 ZINC001546052164 1067310739 /nfs/dbraw/zinc/31/07/39/1067310739.db2.gz SJKPBMPGJBZPNX-IBVKSMDESA-N 1 1 455.647 4.612 20 0 JJADMO C[C@@H]1CCC[C@H]([N@@H+](CCOc2cccc(S(C)(=O)=O)c2)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC001459392868 1067312221 /nfs/dbraw/zinc/31/22/21/1067312221.db2.gz LVPATRCIGNGRIF-PWHSHALESA-N 1 1 459.608 4.525 20 0 JJADMO C[C@@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC001459397164 1067313177 /nfs/dbraw/zinc/31/31/77/1067313177.db2.gz RQQAWIZBRQSWHE-LBPRGKRZSA-N 1 1 459.390 4.530 20 0 JJADMO C[C@@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC001459397164 1067313188 /nfs/dbraw/zinc/31/31/88/1067313188.db2.gz RQQAWIZBRQSWHE-LBPRGKRZSA-N 1 1 459.390 4.530 20 0 JJADMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC001459414508 1067318035 /nfs/dbraw/zinc/31/80/35/1067318035.db2.gz LBXOZAOPMZTXSA-OAHLLOKOSA-N 1 1 450.377 4.841 20 0 JJADMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC001459414508 1067318042 /nfs/dbraw/zinc/31/80/42/1067318042.db2.gz LBXOZAOPMZTXSA-OAHLLOKOSA-N 1 1 450.377 4.841 20 0 JJADMO C[N@H+](Cc1ccccc1)CC1CCN(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC001459428570 1067323615 /nfs/dbraw/zinc/32/36/15/1067323615.db2.gz QKJGHSNSROHDLJ-UHFFFAOYSA-N 1 1 452.599 4.732 20 0 JJADMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC001459431889 1067324284 /nfs/dbraw/zinc/32/42/84/1067324284.db2.gz HQFNVFDNMPLGBI-JOCHJYFZSA-N 1 1 453.384 4.509 20 0 JJADMO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1 ZINC001459439675 1067325559 /nfs/dbraw/zinc/32/55/59/1067325559.db2.gz IIIUTQFPLDDHHE-MBSDFSHPSA-N 1 1 450.501 4.862 20 0 JJADMO C[N@@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC001459460746 1067329445 /nfs/dbraw/zinc/32/94/45/1067329445.db2.gz ZTXXCHOAGIKUIS-UHFFFAOYSA-N 1 1 456.493 4.682 20 0 JJADMO CCS[C@@H]1CCCC[N@@H+](CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(OC)cc2)C1 ZINC001459461399 1067329831 /nfs/dbraw/zinc/32/98/31/1067329831.db2.gz DDUVHAHMTLFVDB-NOZRDPDXSA-N 1 1 451.636 4.981 20 0 JJADMO CCS[C@H]1CCCC[N@@H+](CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(OC)cc2)C1 ZINC001459461451 1067329919 /nfs/dbraw/zinc/32/99/19/1067329919.db2.gz DDUVHAHMTLFVDB-ZCYQVOJMSA-N 1 1 451.636 4.981 20 0 JJADMO OC[C@@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC001459466143 1067331541 /nfs/dbraw/zinc/33/15/41/1067331541.db2.gz KXEBHCNEPNHULO-SANMLTNESA-N 1 1 454.973 4.909 20 0 JJADMO COc1ccc(C[NH+]2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)c(Br)c1OC ZINC001459473351 1067334152 /nfs/dbraw/zinc/33/41/52/1067334152.db2.gz CFDZTYWZCQXXQK-AWEZNQCLSA-N 1 1 457.409 4.592 20 0 JJADMO O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001453892567 1067334425 /nfs/dbraw/zinc/33/44/25/1067334425.db2.gz RJCLMSRDGIZJLG-OPYAIIAOSA-N 1 1 476.429 4.515 20 0 JJADMO CCC1(CC)CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCn2cc[nH+]c2C)C1 ZINC001546109118 1067335311 /nfs/dbraw/zinc/33/53/11/1067335311.db2.gz UJSBVTPZKFDYNK-OAQYLSRUSA-N 1 1 485.677 4.614 20 0 JJADMO COc1cccc([C@H](C)[NH+]2CCN(Cc3ncc(-c4ccc(Br)cc4)o3)CC2)c1 ZINC001459490454 1067337516 /nfs/dbraw/zinc/33/75/16/1067337516.db2.gz ZOIPVLMGEUVNFN-KRWDZBQOSA-N 1 1 456.384 4.992 20 0 JJADMO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC001459493645 1067338588 /nfs/dbraw/zinc/33/85/88/1067338588.db2.gz MAHOGNMRBUQYJG-YWZLYKJASA-N 1 1 457.334 4.880 20 0 JJADMO CNS(=O)(=O)c1ccc(C[N@@H+](C)Cc2cc(C)c(OCc3cccc(C)c3)c(C)c2)cc1 ZINC001459496209 1067339093 /nfs/dbraw/zinc/33/90/93/1067339093.db2.gz ZMTVHRLEYWPVLA-UHFFFAOYSA-N 1 1 452.620 4.731 20 0 JJADMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2cc(F)ccc2C)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001459508431 1067340951 /nfs/dbraw/zinc/34/09/51/1067340951.db2.gz BDNUZTDKUIYKTP-XZOQPEGZSA-N 1 1 455.574 4.974 20 0 JJADMO C[N@@H+](CCN1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1)Cc1ccccc1 ZINC001459526198 1067344814 /nfs/dbraw/zinc/34/48/14/1067344814.db2.gz XVRQQECLKLELCU-OAQYLSRUSA-N 1 1 455.400 4.692 20 0 JJADMO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC001459561072 1067351696 /nfs/dbraw/zinc/35/16/96/1067351696.db2.gz CEYSZFLXEUSPCS-GGAORHGYSA-N 1 1 456.428 4.507 20 0 JJADMO COc1ccc2c(c1)[C@H]([N@H+](Cc1ccccc1)C[C@H](O)c1cc(Br)no1)CCO2 ZINC001459566559 1067353534 /nfs/dbraw/zinc/35/35/34/1067353534.db2.gz AYOBKBHWWHKRFZ-MOPGFXCFSA-N 1 1 459.340 4.505 20 0 JJADMO CC[N@H+](CCOc1ccc(Br)cc1)CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001459568691 1067354483 /nfs/dbraw/zinc/35/44/83/1067354483.db2.gz GPOXENXNIWGTLG-HNNXBMFYSA-N 1 1 455.343 4.648 20 0 JJADMO CC[N@@H+](CCOc1ccc(Br)cc1)CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001459568691 1067354492 /nfs/dbraw/zinc/35/44/92/1067354492.db2.gz GPOXENXNIWGTLG-HNNXBMFYSA-N 1 1 455.343 4.648 20 0 JJADMO CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)C1 ZINC001459571206 1067354769 /nfs/dbraw/zinc/35/47/69/1067354769.db2.gz JDQSAWIBYNREHK-ZJGIAAPESA-N 1 1 462.634 4.514 20 0 JJADMO C[N@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)[C@@H](CCO)c1ccccc1 ZINC001459581020 1067356442 /nfs/dbraw/zinc/35/64/42/1067356442.db2.gz BMQGOPNVNKXVQU-QHCPKHFHSA-N 1 1 451.954 4.586 20 0 JJADMO C[N@@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)[C@@H](CCO)c1ccccc1 ZINC001459581020 1067356453 /nfs/dbraw/zinc/35/64/53/1067356453.db2.gz BMQGOPNVNKXVQU-QHCPKHFHSA-N 1 1 451.954 4.586 20 0 JJADMO C[N@@H+](C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@H]1CCSc2ccc(Br)cc21 ZINC001459580521 1067356474 /nfs/dbraw/zinc/35/64/74/1067356474.db2.gz DMBJAIZLIJIKAV-WBVHZDCISA-N 1 1 457.434 4.554 20 0 JJADMO COc1cc(CNC(=O)C[N@@H+](C2CC2)[C@H]2CCCC[C@@H]2C2CCCCC2)cc(OC)c1OC ZINC001459601682 1067360580 /nfs/dbraw/zinc/36/05/80/1067360580.db2.gz XVBNGHVYHYPORS-PKTZIBPZSA-N 1 1 458.643 4.932 20 0 JJADMO CCOC(=O)c1c(NC(=O)C[N@@H+](C)C[C@@H]2CCCOC2)sc(Cl)c1-c1ccccc1 ZINC001459602911 1067360608 /nfs/dbraw/zinc/36/06/08/1067360608.db2.gz VNXGTAXKSWSFJQ-HNNXBMFYSA-N 1 1 450.988 4.542 20 0 JJADMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1OC ZINC001459610417 1067363302 /nfs/dbraw/zinc/36/33/02/1067363302.db2.gz APJCTOYAPXYRDU-PBHICJAKSA-N 1 1 453.366 4.881 20 0 JJADMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1OC ZINC001459610417 1067363314 /nfs/dbraw/zinc/36/33/14/1067363314.db2.gz APJCTOYAPXYRDU-PBHICJAKSA-N 1 1 453.366 4.881 20 0 JJADMO Cc1cc(NC(=O)C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)n(-c2ccc(F)cc2)n1 ZINC001459611894 1067363500 /nfs/dbraw/zinc/36/35/00/1067363500.db2.gz YTSTVFXNNKGQGR-RTWAWAEBSA-N 1 1 456.587 4.688 20 0 JJADMO C[C@@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC001459615916 1067365214 /nfs/dbraw/zinc/36/52/14/1067365214.db2.gz PBYGSTVYZWFAEI-LZFFWASXSA-N 1 1 451.611 4.879 20 0 JJADMO C[C@@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC001459615916 1067365221 /nfs/dbraw/zinc/36/52/21/1067365221.db2.gz PBYGSTVYZWFAEI-LZFFWASXSA-N 1 1 451.611 4.879 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC001459623516 1067366659 /nfs/dbraw/zinc/36/66/59/1067366659.db2.gz LSUHGYAARRSGMZ-VBOOUTDYSA-N 1 1 452.639 4.828 20 0 JJADMO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)CC[C@@H]1c1ccccc1 ZINC001459624078 1067366815 /nfs/dbraw/zinc/36/68/15/1067366815.db2.gz CKWBHBDGVZOWRB-QKLQHJQFSA-N 1 1 459.512 4.895 20 0 JJADMO CC[C@@H]1C[N@@H+](Cc2nc3cc(S(=O)(=O)N(CC)CC)ccc3[nH]2)CC[C@H]1c1ccccc1 ZINC001459627874 1067367805 /nfs/dbraw/zinc/36/78/05/1067367805.db2.gz PPVUYANZXZJFEY-DENIHFKCSA-N 1 1 454.640 4.609 20 0 JJADMO COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@H+]2CC[C@@H](Cc3ccccc3)[C@@H]2C)cc1 ZINC001459628492 1067368383 /nfs/dbraw/zinc/36/83/83/1067368383.db2.gz GSWQTQJRMARAIA-UNMCSNQZSA-N 1 1 457.574 4.839 20 0 JJADMO COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@H+]2CC[C@H](Cc3ccccc3)[C@@H]2C)cc1 ZINC001459628487 1067368531 /nfs/dbraw/zinc/36/85/31/1067368531.db2.gz GSWQTQJRMARAIA-RBBKRZOGSA-N 1 1 457.574 4.839 20 0 JJADMO CCOC(=O)c1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3ccccc3OC)C2)sc2c1CCCC2 ZINC001459647986 1067371572 /nfs/dbraw/zinc/37/15/72/1067371572.db2.gz XJOIGFDKSPTZQB-DLBZAZTESA-N 1 1 456.608 4.629 20 0 JJADMO CCOC(=O)c1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3ccccc3OC)C2)sc2c1CCCC2 ZINC001459647986 1067371581 /nfs/dbraw/zinc/37/15/81/1067371581.db2.gz XJOIGFDKSPTZQB-DLBZAZTESA-N 1 1 456.608 4.629 20 0 JJADMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](CCc3cc(Cl)c4c(c3)OCCCO4)C2)cc1 ZINC001459661120 1067374609 /nfs/dbraw/zinc/37/46/09/1067374609.db2.gz DFOZFMGUISEQAM-HXUWFJFHSA-N 1 1 458.002 4.886 20 0 JJADMO CCOc1ccc([C@H](C)NC(=O)C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)cc1OC ZINC001459664542 1067375804 /nfs/dbraw/zinc/37/58/04/1067375804.db2.gz AFQIBKRKXCLXPN-OYDLWJJNSA-N 1 1 454.611 4.639 20 0 JJADMO CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)CN(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC001459667374 1067377034 /nfs/dbraw/zinc/37/70/34/1067377034.db2.gz INDNSEZJWFFBSA-YLJYHZDGSA-N 1 1 457.640 4.501 20 0 JJADMO COc1cc(N[C@@H]2CCC[N@H+](CC(=O)Nc3ccccc3Cc3ccccc3)C2)cc(OC)c1 ZINC001459690910 1067385277 /nfs/dbraw/zinc/38/52/77/1067385277.db2.gz BMPFMVGZYXKVOT-HSZRJFAPSA-N 1 1 459.590 4.810 20 0 JJADMO COc1cc(N[C@@H]2CCC[N@@H+](CC(=O)Nc3ccccc3Cc3ccccc3)C2)cc(OC)c1 ZINC001459690910 1067385288 /nfs/dbraw/zinc/38/52/88/1067385288.db2.gz BMPFMVGZYXKVOT-HSZRJFAPSA-N 1 1 459.590 4.810 20 0 JJADMO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(I)cc1 ZINC001459693827 1067386145 /nfs/dbraw/zinc/38/61/45/1067386145.db2.gz KXWIDCCSACIWDF-AYHJJNSGSA-N 1 1 456.368 4.701 20 0 JJADMO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(I)cc1 ZINC001459693827 1067386157 /nfs/dbraw/zinc/38/61/57/1067386157.db2.gz KXWIDCCSACIWDF-AYHJJNSGSA-N 1 1 456.368 4.701 20 0 JJADMO O=C(NC[C@@H]1CCCC[N@@H+]1CCOc1cc(F)cc(Br)c1)Nc1ccccc1 ZINC001459695117 1067386470 /nfs/dbraw/zinc/38/64/70/1067386470.db2.gz RWPMJXLHRNFERM-IBGZPJMESA-N 1 1 450.352 4.643 20 0 JJADMO O=C(NC[C@H]1CCCC[N@@H+]1CCOc1cc(F)cc(Br)c1)Nc1ccccc1 ZINC001459695118 1067386631 /nfs/dbraw/zinc/38/66/31/1067386631.db2.gz RWPMJXLHRNFERM-LJQANCHMSA-N 1 1 450.352 4.643 20 0 JJADMO C[C@H](c1ccc(Br)cc1)[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC001459699957 1067387713 /nfs/dbraw/zinc/38/77/13/1067387713.db2.gz JJJGRDBJAXXNGT-HUUCEWRRSA-N 1 1 457.368 4.824 20 0 JJADMO C[C@]([NH2+]CCC(=O)Nc1ccccc1-c1ccccc1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC001459705556 1067389015 /nfs/dbraw/zinc/38/90/15/1067389015.db2.gz GSWWLOLGHUOOFU-XMMPIXPASA-N 1 1 455.480 4.691 20 0 JJADMO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C ZINC001459705977 1067389191 /nfs/dbraw/zinc/38/91/91/1067389191.db2.gz GOVPVTXJBIUNIR-INIZCTEOSA-N 1 1 456.425 4.630 20 0 JJADMO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001459706649 1067389233 /nfs/dbraw/zinc/38/92/33/1067389233.db2.gz MGGOWIBVXNEBFN-VWLOTQADSA-N 1 1 454.977 4.674 20 0 JJADMO Cc1cccc(C[N@@H+](Cc2ccccn2)C[C@]2(O)CCCN(C(=O)OCc3ccccc3)C2)c1 ZINC001459707478 1067389592 /nfs/dbraw/zinc/38/95/92/1067389592.db2.gz ORXWJJFZXUTRRR-MUUNZHRXSA-N 1 1 459.590 4.556 20 0 JJADMO Cc1ccc(NC(=O)c2nnc(C[NH2+]C(C)(C)Cc3ccc(Br)cc3)s2)cc1 ZINC001459707375 1067389687 /nfs/dbraw/zinc/38/96/87/1067389687.db2.gz PPGLGCURRJAEMM-UHFFFAOYSA-N 1 1 459.413 4.972 20 0 JJADMO C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+](C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)C1=O ZINC001459706985 1067389870 /nfs/dbraw/zinc/38/98/70/1067389870.db2.gz HHLXEWQSFHTJOW-KOSHJBKYSA-N 1 1 452.549 4.592 20 0 JJADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC001459707948 1067390518 /nfs/dbraw/zinc/39/05/18/1067390518.db2.gz DCMQGBFCPSGHDD-HNNXBMFYSA-N 1 1 454.514 4.639 20 0 JJADMO CC(C)(C)OC(=O)N1CCCC[C@H](C[N@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)C1 ZINC001459714282 1067392709 /nfs/dbraw/zinc/39/27/09/1067392709.db2.gz ADDMAIKLBZJECC-TZIWHRDSSA-N 1 1 455.599 4.664 20 0 JJADMO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC001459716645 1067393774 /nfs/dbraw/zinc/39/37/74/1067393774.db2.gz UNRZQXLMZBHWBJ-QAPCUYQASA-N 1 1 458.484 4.553 20 0 JJADMO CCOC(=O)C[C@@H](c1ccccc1)C1CC[NH+]([C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)CC1 ZINC001459716502 1067394212 /nfs/dbraw/zinc/39/42/12/1067394212.db2.gz LUSUSCVJXQXCMQ-CLOONOSVSA-N 1 1 450.579 4.665 20 0 JJADMO COC(=O)c1c2c(sc1NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1)CCCC2 ZINC001459723811 1067396505 /nfs/dbraw/zinc/39/65/05/1067396505.db2.gz VHHSKXGYFSVABP-QHCPKHFHSA-N 1 1 452.551 4.870 20 0 JJADMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC001459734092 1067399164 /nfs/dbraw/zinc/39/91/64/1067399164.db2.gz AMWCSXYOHKOKQN-IBGZPJMESA-N 1 1 456.537 4.714 20 0 JJADMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC001459734092 1067399175 /nfs/dbraw/zinc/39/91/75/1067399175.db2.gz AMWCSXYOHKOKQN-IBGZPJMESA-N 1 1 456.537 4.714 20 0 JJADMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)C2)n1 ZINC001459744960 1067403453 /nfs/dbraw/zinc/40/34/53/1067403453.db2.gz YJIPXLKALSIBOB-GEIYVISESA-N 1 1 456.631 4.609 20 0 JJADMO CC(C)OCc1ccccc1CNC(=O)C[N@@H+](Cc1ccc2c(c1)OCO2)C1(C)CCCC1 ZINC001459753829 1067407307 /nfs/dbraw/zinc/40/73/07/1067407307.db2.gz OCMPMHZVTVHKJV-UHFFFAOYSA-N 1 1 452.595 4.791 20 0 JJADMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2cc(OC)ncc2Br)[C@H]2CCCC[C@@H]12 ZINC001459758291 1067409923 /nfs/dbraw/zinc/40/99/23/1067409923.db2.gz YBXVDAKBOUOTCS-FVMPEHLCSA-N 1 1 452.437 4.537 20 0 JJADMO Cc1cccc(S(=O)(=O)CCC[N@@H+]2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)c1 ZINC001459777749 1067417244 /nfs/dbraw/zinc/41/72/44/1067417244.db2.gz GYYPJIZALHYMTM-OAQYLSRUSA-N 1 1 459.656 4.934 20 0 JJADMO Cc1cccc(S(=O)(=O)CCC[N@H+]2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)c1 ZINC001459777749 1067417250 /nfs/dbraw/zinc/41/72/50/1067417250.db2.gz GYYPJIZALHYMTM-OAQYLSRUSA-N 1 1 459.656 4.934 20 0 JJADMO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC001459794500 1067426716 /nfs/dbraw/zinc/42/67/16/1067426716.db2.gz BPPPLOOXMFAOLK-LJQANCHMSA-N 1 1 459.034 4.760 20 0 JJADMO Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+](Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)c1 ZINC001459795018 1067427092 /nfs/dbraw/zinc/42/70/92/1067427092.db2.gz FFNJFOJRKRWEFQ-HOFKKMOUSA-N 1 1 451.994 4.724 20 0 JJADMO CCC[N@@H+](CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001459800613 1067429747 /nfs/dbraw/zinc/42/97/47/1067429747.db2.gz NZUPLFGOYAWEOK-HXUWFJFHSA-N 1 1 456.030 4.876 20 0 JJADMO COc1cccc([C@H]2[C@@H](c3ccccc3)CC[N@@H+]2Cc2cc(Cl)cc(S(N)(=O)=O)c2)c1 ZINC001459812378 1067433907 /nfs/dbraw/zinc/43/39/07/1067433907.db2.gz GSNPXTQRSOBZOH-RPWUZVMVSA-N 1 1 456.995 4.727 20 0 JJADMO COc1cccc([C@H]2[C@@H](c3ccccc3)CC[N@H+]2Cc2cc(Cl)cc(S(N)(=O)=O)c2)c1 ZINC001459812378 1067433916 /nfs/dbraw/zinc/43/39/16/1067433916.db2.gz GSNPXTQRSOBZOH-RPWUZVMVSA-N 1 1 456.995 4.727 20 0 JJADMO CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CC[N@@H+]1[C@H](C)C(=O)NCc1ccccc1F ZINC001459817426 1067436476 /nfs/dbraw/zinc/43/64/76/1067436476.db2.gz CSMQMUWNBXRBHM-UTKZUKDTSA-N 1 1 451.508 4.840 20 0 JJADMO CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CC[N@H+]1[C@H](C)C(=O)NCc1ccccc1F ZINC001459817426 1067436478 /nfs/dbraw/zinc/43/64/78/1067436478.db2.gz CSMQMUWNBXRBHM-UTKZUKDTSA-N 1 1 451.508 4.840 20 0 JJADMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1)c1cc(Cl)ccc1OC(F)F ZINC001459823950 1067440233 /nfs/dbraw/zinc/44/02/33/1067440233.db2.gz FPGYNQNIZZFWFU-KGLIPLIRSA-N 1 1 451.901 4.746 20 0 JJADMO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC001459825605 1067440734 /nfs/dbraw/zinc/44/07/34/1067440734.db2.gz RVYQRNOEDJUOTO-UONOGXRCSA-N 1 1 451.901 4.746 20 0 JJADMO CC(C)(C)OC(=O)N1C[C@H]([N@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)[C@@H](O)c2ccccc21 ZINC001459835240 1067445860 /nfs/dbraw/zinc/44/58/60/1067445860.db2.gz LCHULOQLVJESPS-GOUWZUTHSA-N 1 1 456.558 4.571 20 0 JJADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)CNC(C)(C)c2ccc(OCC(C)C)cc2)CC1 ZINC001459852545 1067457131 /nfs/dbraw/zinc/45/71/31/1067457131.db2.gz XNKNNQLLMUINGN-UHFFFAOYSA-N 1 1 451.655 4.589 20 0 JJADMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CNC(C)(C)c2ccc(OCC(C)C)cc2)CC1 ZINC001459852545 1067457136 /nfs/dbraw/zinc/45/71/36/1067457136.db2.gz XNKNNQLLMUINGN-UHFFFAOYSA-N 1 1 451.655 4.589 20 0 JJADMO Cc1cc(C[N@@H+]2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(C)cc1I ZINC001459864756 1067463591 /nfs/dbraw/zinc/46/35/91/1067463591.db2.gz USPGISHZTMQUMX-JKSUJKDBSA-N 1 1 458.384 4.643 20 0 JJADMO CCOc1ccc(C[N@H+](CCCn2ccnc2)Cc2nc3sc(C)c(C)c3c(N)n2)cc1 ZINC001459886746 1067473023 /nfs/dbraw/zinc/47/30/23/1067473023.db2.gz PDCIHGDDHCGICA-UHFFFAOYSA-N 1 1 450.612 4.578 20 0 JJADMO CCOc1ccc(C[N@@H+](CCCn2ccnc2)Cc2nc3sc(C)c(C)c3c(N)n2)cc1 ZINC001459886746 1067473027 /nfs/dbraw/zinc/47/30/27/1067473027.db2.gz PDCIHGDDHCGICA-UHFFFAOYSA-N 1 1 450.612 4.578 20 0 JJADMO Cc1cc(NC(=O)C[NH2+][C@@H](COCc2ccccc2)c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC001459885507 1067473059 /nfs/dbraw/zinc/47/30/59/1067473059.db2.gz OTHYHBBZFQUCQM-VWLOTQADSA-N 1 1 458.537 4.806 20 0 JJADMO CCC1(CC)CCN(c2nnc(COc3ccc(F)cc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546112589 1067480878 /nfs/dbraw/zinc/48/08/78/1067480878.db2.gz XFVQGKDFZNCSFM-OYRHEFFESA-N 1 1 473.637 4.512 20 0 JJADMO Cc1cc(Br)c(NC(=O)C[NH2+][C@H](C)c2cnn(C(C)C)c2)c(Br)c1 ZINC001459903435 1067481493 /nfs/dbraw/zinc/48/14/93/1067481493.db2.gz TYJAARWXWSYXBE-GFCCVEGCSA-N 1 1 458.198 4.587 20 0 JJADMO Cc1sc([C@H](C)[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)nc1-c1ccc(Cl)cc1 ZINC001459909682 1067485086 /nfs/dbraw/zinc/48/50/86/1067485086.db2.gz LRQHKQICZQVBGD-AWEZNQCLSA-N 1 1 450.029 4.873 20 0 JJADMO COc1ccccc1O[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC(C)C)C1 ZINC001459912037 1067486914 /nfs/dbraw/zinc/48/69/14/1067486914.db2.gz QXMLLBSJYASHSF-DSNGMDLFSA-N 1 1 450.623 4.859 20 0 JJADMO O=C(CC[N@H+](CCO)Cc1cc(Br)cs1)Nc1cc(Cl)ccc1Cl ZINC001459931338 1067496524 /nfs/dbraw/zinc/49/65/24/1067496524.db2.gz MWQKAVJZWHBHFN-UHFFFAOYSA-N 1 1 452.201 4.641 20 0 JJADMO CCC[N@@H+](C)[C@@H](CNC(=O)[C@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1)c1ccc(Cl)cc1 ZINC001459947888 1067503085 /nfs/dbraw/zinc/50/30/85/1067503085.db2.gz YOHPBGPOBGOQGU-URXFXBBRSA-N 1 1 456.030 4.899 20 0 JJADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1nc2ccccc2n1C(F)F ZINC001459955796 1067506413 /nfs/dbraw/zinc/50/64/13/1067506413.db2.gz VNXIFLLXABFBLX-HZPDHXFCSA-N 1 1 452.509 4.912 20 0 JJADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F ZINC001459955797 1067506519 /nfs/dbraw/zinc/50/65/19/1067506519.db2.gz VNXIFLLXABFBLX-JKSUJKDBSA-N 1 1 452.509 4.912 20 0 JJADMO CCS(=O)(=O)c1ccc([C@H](C)NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)cc1 ZINC001459957987 1067507232 /nfs/dbraw/zinc/50/72/32/1067507232.db2.gz KBALPFXBUPGNSA-FQEVSTJZSA-N 1 1 450.604 4.603 20 0 JJADMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NCc1noc(Cc2ccc(Br)cc2)n1 ZINC001459999270 1067521093 /nfs/dbraw/zinc/52/10/93/1067521093.db2.gz UMEYLEXBWZHZET-NRFANRHFSA-N 1 1 457.416 4.669 20 0 JJADMO COC(=O)c1cc(C)cc(C(=O)NC[C@H](c2ccc(Cl)cc2)[N@H+](C)CCC(F)(F)F)c1 ZINC001460013574 1067527178 /nfs/dbraw/zinc/52/71/78/1067527178.db2.gz JBOUXKHVBPOSRM-LJQANCHMSA-N 1 1 456.892 4.790 20 0 JJADMO COC(=O)c1cc(C)cc(C(=O)NC[C@H](c2ccc(Cl)cc2)[N@@H+](C)CCC(F)(F)F)c1 ZINC001460013574 1067527187 /nfs/dbraw/zinc/52/71/87/1067527187.db2.gz JBOUXKHVBPOSRM-LJQANCHMSA-N 1 1 456.892 4.790 20 0 JJADMO C[N@H+](CCC(F)(F)F)[C@H](CNC(=O)c1ccc(OCC2CC2)nc1)c1ccc(Cl)cc1 ZINC001460018098 1067529691 /nfs/dbraw/zinc/52/96/91/1067529691.db2.gz ZFACPMSMGJDDGD-LJQANCHMSA-N 1 1 455.908 4.879 20 0 JJADMO C[N@@H+](CCC(F)(F)F)[C@H](CNC(=O)c1ccc(OCC2CC2)nc1)c1ccc(Cl)cc1 ZINC001460018098 1067529698 /nfs/dbraw/zinc/52/96/98/1067529698.db2.gz ZFACPMSMGJDDGD-LJQANCHMSA-N 1 1 455.908 4.879 20 0 JJADMO C[C@H](NC(=O)C[NH+]1CCC(N2CCc3cc(F)ccc32)CC1)c1ccc(Cl)cc1Cl ZINC001460019233 1067530074 /nfs/dbraw/zinc/53/00/74/1067530074.db2.gz RAJKIQINDWCRJP-HNNXBMFYSA-N 1 1 450.385 4.837 20 0 JJADMO CO[C@]1(C)CCC[N@H+](CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)C1 ZINC001460049377 1067539233 /nfs/dbraw/zinc/53/92/33/1067539233.db2.gz LKQRTJDKYCDVHP-RUZDIDTESA-N 1 1 453.583 4.983 20 0 JJADMO CO[C@]1(C)CCC[N@@H+](CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)C1 ZINC001460049377 1067539240 /nfs/dbraw/zinc/53/92/40/1067539240.db2.gz LKQRTJDKYCDVHP-RUZDIDTESA-N 1 1 453.583 4.983 20 0 JJADMO O=C(C[N@@H+]1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1)NCCCN1CCCCCC1=O ZINC001460052139 1067539728 /nfs/dbraw/zinc/53/97/28/1067539728.db2.gz KQDRNBFQXAFIJA-NRFANRHFSA-N 1 1 453.549 4.531 20 0 JJADMO C[N@@H+](CCN1CCC(c2nc(-c3ccccc3Br)no2)CC1)Cc1ccccc1 ZINC001460056964 1067541083 /nfs/dbraw/zinc/54/10/83/1067541083.db2.gz VHSLPNQXEYCJHK-UHFFFAOYSA-N 1 1 455.400 4.811 20 0 JJADMO CN(CC[NH+]1CCC(c2nc(-c3ccccc3Br)no2)CC1)Cc1ccccc1 ZINC001460056964 1067541091 /nfs/dbraw/zinc/54/10/91/1067541091.db2.gz VHSLPNQXEYCJHK-UHFFFAOYSA-N 1 1 455.400 4.811 20 0 JJADMO C[C@H](NC(=O)C[N@@H+](Cc1ccc(F)cc1)C1CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC001460063467 1067543385 /nfs/dbraw/zinc/54/33/85/1067543385.db2.gz HTHGVOXOYYDOQR-INIZCTEOSA-N 1 1 454.464 4.583 20 0 JJADMO OC[C@H]1C=C[C@@H]([N@@H+](Cc2cccs2)Cc2ccc(I)c(Cl)c2)C1 ZINC001460066950 1067544594 /nfs/dbraw/zinc/54/45/94/1067544594.db2.gz VKNZZBRKZDPJJU-LSDHHAIUSA-N 1 1 459.780 4.945 20 0 JJADMO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC001460067509 1067544815 /nfs/dbraw/zinc/54/48/15/1067544815.db2.gz DVLICJSLAIXHPE-GOSISDBHSA-N 1 1 454.409 4.547 20 0 JJADMO COC(=O)c1ccc(Br)c(C[N@@H+]2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)c1 ZINC001460073857 1067547233 /nfs/dbraw/zinc/54/72/33/1067547233.db2.gz SSDCGRKUGKORTJ-QGZVFWFLSA-N 1 1 455.393 4.505 20 0 JJADMO COC(=O)c1ccc(Br)c(C[N@H+]2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)c1 ZINC001460073857 1067547242 /nfs/dbraw/zinc/54/72/42/1067547242.db2.gz SSDCGRKUGKORTJ-QGZVFWFLSA-N 1 1 455.393 4.505 20 0 JJADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@@H](C)C(=O)Nc3ccc(Br)cc3)C2)s1 ZINC001460076320 1067547669 /nfs/dbraw/zinc/54/76/69/1067547669.db2.gz SRQNSXXZXUAPDO-IRXDYDNUSA-N 1 1 450.446 4.600 20 0 JJADMO C[N@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)Cc1ccc(OCC(F)(F)F)cc1 ZINC001460076593 1067547970 /nfs/dbraw/zinc/54/79/70/1067547970.db2.gz DKZUPPQLXUKLHV-UHFFFAOYSA-N 1 1 450.457 4.740 20 0 JJADMO C[N@@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)Cc1ccc(OCC(F)(F)F)cc1 ZINC001460076593 1067547977 /nfs/dbraw/zinc/54/79/77/1067547977.db2.gz DKZUPPQLXUKLHV-UHFFFAOYSA-N 1 1 450.457 4.740 20 0 JJADMO CCCc1nc(C)c(C(=O)Nc2cc(Br)ccc2N2CC[N@@H+](C)C[C@@H]2C)s1 ZINC001460095421 1067553550 /nfs/dbraw/zinc/55/35/50/1067553550.db2.gz VBFHWSALDIUVIN-ZDUSSCGKSA-N 1 1 451.434 4.559 20 0 JJADMO CCOC(=O)c1ccc(NC(=O)C[NH2+][C@H](Cc2ccccc2)c2nc3ccccc3s2)cc1 ZINC001460102263 1067555510 /nfs/dbraw/zinc/55/55/10/1067555510.db2.gz KWXLEBLXLWNSMF-JOCHJYFZSA-N 1 1 459.571 4.985 20 0 JJADMO CCOC(=O)c1ccc(NC(=O)C[NH2+][C@@H](Cc2ccccc2)c2nc3ccccc3s2)cc1 ZINC001460102264 1067555573 /nfs/dbraw/zinc/55/55/73/1067555573.db2.gz KWXLEBLXLWNSMF-QFIPXVFZSA-N 1 1 459.571 4.985 20 0 JJADMO CCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)cc1 ZINC001460104973 1067556278 /nfs/dbraw/zinc/55/62/78/1067556278.db2.gz JPKZWAJZGFERIM-XMSQKQJNSA-N 1 1 459.631 4.770 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCC[N@@H+](CC(=O)Nc3cccc(C(F)(F)F)c3)C2)C1 ZINC001460110508 1067557012 /nfs/dbraw/zinc/55/70/12/1067557012.db2.gz PKKGVOUUVRHCSJ-DLBZAZTESA-N 1 1 455.521 4.613 20 0 JJADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3cccc4c(Br)ccnc34)cc2)C[C@@H](C)O1 ZINC001460114116 1067558026 /nfs/dbraw/zinc/55/80/26/1067558026.db2.gz GSFDCRNRASQDHU-HZPDHXFCSA-N 1 1 454.368 4.859 20 0 JJADMO COc1cccc(SCC[N@H+]2CC[C@@H](Cc3cccc(I)c3)C2)c1 ZINC001460135380 1067562055 /nfs/dbraw/zinc/56/20/55/1067562055.db2.gz NGBFVMOPMVZIRM-KRWDZBQOSA-N 1 1 453.389 4.957 20 0 JJADMO Fc1ccc(CC2([NH2+]Cc3nc4ccc(Br)cc4[nH]3)CCOCC2)c(Cl)c1 ZINC001460137274 1067562495 /nfs/dbraw/zinc/56/24/95/1067562495.db2.gz LVEUKFQPFYKEOA-UHFFFAOYSA-N 1 1 452.755 4.999 20 0 JJADMO CC[C@@H]1C[N@@H+](CC)CCN1CC(=O)N(Cc1ccccc1)c1nc2c(ccc(C)c2C)s1 ZINC001460136374 1067562507 /nfs/dbraw/zinc/56/25/07/1067562507.db2.gz AMOUZXWZTFHEQJ-JOCHJYFZSA-N 1 1 450.652 4.862 20 0 JJADMO Cc1cc2ncn(C[C@@H](O)C[N@H+]3CCCC[C@@H]3Cc3ccccc3Br)c2cc1C ZINC001460158109 1067567323 /nfs/dbraw/zinc/56/73/23/1067567323.db2.gz AWAFFBRWNIRJCZ-RTWAWAEBSA-N 1 1 456.428 4.874 20 0 JJADMO CCOc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001460160992 1067567730 /nfs/dbraw/zinc/56/77/30/1067567730.db2.gz ZDLJMYSTVVODTO-RTWAWAEBSA-N 1 1 459.631 4.773 20 0 JJADMO CCc1ccc([C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3C(=O)NCc3ccc(C)cc3)C2)cc1 ZINC001460165445 1067568410 /nfs/dbraw/zinc/56/84/10/1067568410.db2.gz KPOFOABNZBHBSQ-RUZDIDTESA-N 1 1 455.602 4.915 20 0 JJADMO C[N@H+](CCc1cccc(Br)c1)Cc1nc(-c2ccc(Br)s2)no1 ZINC001460170210 1067569126 /nfs/dbraw/zinc/56/91/26/1067569126.db2.gz HMWSRWDDXCIZGB-UHFFFAOYSA-N 1 1 457.191 4.998 20 0 JJADMO C[N@@H+](CCc1cccc(Br)c1)Cc1nc(-c2ccc(Br)s2)no1 ZINC001460170210 1067569130 /nfs/dbraw/zinc/56/91/30/1067569130.db2.gz HMWSRWDDXCIZGB-UHFFFAOYSA-N 1 1 457.191 4.998 20 0 JJADMO CCc1cc2oc(=O)cc(C[NH2+][C@@H](CO)c3ccc(Br)c(F)c3)c2cc1Cl ZINC001460177172 1067571570 /nfs/dbraw/zinc/57/15/70/1067571570.db2.gz ZYASYJQLLNVQAS-SFHVURJKSA-N 1 1 454.723 4.734 20 0 JJADMO C[N@H+](CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001460196254 1067576368 /nfs/dbraw/zinc/57/63/68/1067576368.db2.gz KQETZDZLCHLYKV-FGZHOGPDSA-N 1 1 453.583 4.989 20 0 JJADMO C[N@@H+](CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001460196254 1067576376 /nfs/dbraw/zinc/57/63/76/1067576376.db2.gz KQETZDZLCHLYKV-FGZHOGPDSA-N 1 1 453.583 4.989 20 0 JJADMO CC(C)(C)OC(=O)NCc1cn([C@H]2CCC[N@@H+](Cc3ccc(-c4cccs4)cc3)C2)nn1 ZINC001460197918 1067576824 /nfs/dbraw/zinc/57/68/24/1067576824.db2.gz ODFSZJXPZUCUTL-NRFANRHFSA-N 1 1 453.612 4.868 20 0 JJADMO C[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001460199181 1067577632 /nfs/dbraw/zinc/57/76/32/1067577632.db2.gz XKQRQTKDZHPQKH-ROUUACIJSA-N 1 1 453.327 4.844 20 0 JJADMO C[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001460199181 1067577637 /nfs/dbraw/zinc/57/76/37/1067577637.db2.gz XKQRQTKDZHPQKH-ROUUACIJSA-N 1 1 453.327 4.844 20 0 JJADMO COc1cccc(-c2nnc(C[N@H+]3CCCC[C@H]3[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)o2)c1 ZINC001460217062 1067581792 /nfs/dbraw/zinc/58/17/92/1067581792.db2.gz WYFFXUTWSBSHNO-CTNGQTDRSA-N 1 1 456.587 4.747 20 0 JJADMO O=C(OCc1ccccc1)N1CCC(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)CC1 ZINC001460220817 1067582740 /nfs/dbraw/zinc/58/27/40/1067582740.db2.gz LXNOVPYQFNQHCK-NRFANRHFSA-N 1 1 454.533 4.716 20 0 JJADMO COC(=O)[C@@H](N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccc(Cl)cc1 ZINC001460221452 1067583122 /nfs/dbraw/zinc/58/31/22/1067583122.db2.gz KICSRKLTVSFZBZ-GVAUOCQISA-N 1 1 452.957 4.951 20 0 JJADMO CCC1(CC)CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCOC(C)(C)C2)CCS1 ZINC001546115013 1067587371 /nfs/dbraw/zinc/58/73/71/1067587371.db2.gz OQBABMDFBLMBIE-UHFFFAOYSA-N 1 1 496.096 4.960 20 0 JJADMO CCC1(CC)CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCOC(C)(C)C2)CCS1 ZINC001546115013 1067587376 /nfs/dbraw/zinc/58/73/76/1067587376.db2.gz OQBABMDFBLMBIE-UHFFFAOYSA-N 1 1 496.096 4.960 20 0 JJADMO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1ncc(Br)cc1Cl)C(C)C ZINC001460237705 1067587878 /nfs/dbraw/zinc/58/78/78/1067587878.db2.gz BCUBUEBMHDLTNL-OAHLLOKOSA-N 1 1 459.837 4.870 20 0 JJADMO CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1ncc(Br)cc1Cl)C(C)C ZINC001460237705 1067587886 /nfs/dbraw/zinc/58/78/86/1067587886.db2.gz BCUBUEBMHDLTNL-OAHLLOKOSA-N 1 1 459.837 4.870 20 0 JJADMO Cc1ccc2c(C[N@@H+]3C[C@@H](c4ccccc4F)[C@H](NC(=O)OC(C)(C)C)C3)cc(=O)oc2c1 ZINC001460242210 1067589532 /nfs/dbraw/zinc/58/95/32/1067589532.db2.gz RVCDVVAQWIHART-RBBKRZOGSA-N 1 1 452.526 4.733 20 0 JJADMO Cc1ccc(NC(=O)Cc2nc(C[N@@H+]3CCC[C@@H](CCC(=O)OC(C)(C)C)C3)cs2)cc1 ZINC001460258414 1067592628 /nfs/dbraw/zinc/59/26/28/1067592628.db2.gz MGFFEQOGXPGENA-IBGZPJMESA-N 1 1 457.640 4.967 20 0 JJADMO Cc1ccc(NC(=O)Cc2nc(C[N@H+]3CCC[C@@H](CCC(=O)OC(C)(C)C)C3)cs2)cc1 ZINC001460258414 1067592634 /nfs/dbraw/zinc/59/26/34/1067592634.db2.gz MGFFEQOGXPGENA-IBGZPJMESA-N 1 1 457.640 4.967 20 0 JJADMO COC(=O)[C@@H]1C[N@H+]([C@H]2CCCc3ccc(Br)cc32)C[C@H]1c1ccc(F)cc1F ZINC001460277955 1067596205 /nfs/dbraw/zinc/59/62/05/1067596205.db2.gz OOYKOFYZOQBQEI-ZVDOUQERSA-N 1 1 450.323 4.993 20 0 JJADMO COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)C[C@H]1c1ccc(F)cc1F ZINC001460279901 1067597160 /nfs/dbraw/zinc/59/71/60/1067597160.db2.gz VGNZVJMPVVLYND-JSMQRPJFSA-N 1 1 466.528 4.572 20 0 JJADMO COC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)C[C@H]1c1ccc(F)cc1F ZINC001460279901 1067597166 /nfs/dbraw/zinc/59/71/66/1067597166.db2.gz VGNZVJMPVVLYND-JSMQRPJFSA-N 1 1 466.528 4.572 20 0 JJADMO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c3cccnc3)C1)C[C@H](C)CC2 ZINC001460301168 1067602346 /nfs/dbraw/zinc/60/23/46/1067602346.db2.gz BRAKJHKMFHXETQ-ZIFCJYIRSA-N 1 1 455.624 4.651 20 0 JJADMO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c3cccnc3)C1)C[C@H](C)CC2 ZINC001460301168 1067602351 /nfs/dbraw/zinc/60/23/51/1067602351.db2.gz BRAKJHKMFHXETQ-ZIFCJYIRSA-N 1 1 455.624 4.651 20 0 JJADMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)C[C@H]1c1ccccc1 ZINC001460302983 1067602931 /nfs/dbraw/zinc/60/29/31/1067602931.db2.gz VLGUFDOEAMZTNQ-NNMXDRDESA-N 1 1 458.961 4.642 20 0 JJADMO CC(C)(C)OC(=O)[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)C[C@H]1c1ccccc1 ZINC001460302983 1067602935 /nfs/dbraw/zinc/60/29/35/1067602935.db2.gz VLGUFDOEAMZTNQ-NNMXDRDESA-N 1 1 458.961 4.642 20 0 JJADMO CC(C)(C)OC(=O)N1CCC([N@H+](Cc2ccccn2)C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC001460305117 1067603392 /nfs/dbraw/zinc/60/33/92/1067603392.db2.gz NJGXNUUYBBOVFO-PMACEKPBSA-N 1 1 457.537 4.783 20 0 JJADMO COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2ccccc2Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001460312011 1067605122 /nfs/dbraw/zinc/60/51/22/1067605122.db2.gz DILGPJGSBVZZJH-BJKOFHAPSA-N 1 1 462.977 4.758 20 0 JJADMO COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001460312011 1067605127 /nfs/dbraw/zinc/60/51/27/1067605127.db2.gz DILGPJGSBVZZJH-BJKOFHAPSA-N 1 1 462.977 4.758 20 0 JJADMO Fc1ccccc1COc1ccc(C[N@@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)cn1 ZINC001460317384 1067606346 /nfs/dbraw/zinc/60/63/46/1067606346.db2.gz SEUKSYAKBUPBLR-LJQANCHMSA-N 1 1 458.331 4.611 20 0 JJADMO Fc1ccccc1COc1ccc(C[N@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)cn1 ZINC001460317384 1067606349 /nfs/dbraw/zinc/60/63/49/1067606349.db2.gz SEUKSYAKBUPBLR-LJQANCHMSA-N 1 1 458.331 4.611 20 0 JJADMO Cc1ccc(C)c(-c2cc(NC(=O)CN3CC[N@H+](C)[C@H](C(C)(C)C)C3)n(-c3ccccc3)n2)c1 ZINC001460326730 1067608825 /nfs/dbraw/zinc/60/88/25/1067608825.db2.gz CITSLGUVLKNUKB-VWLOTQADSA-N 1 1 459.638 4.757 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCCN([C@@H](C)c2ccccc2F)C1=O ZINC001460327141 1067608903 /nfs/dbraw/zinc/60/89/03/1067608903.db2.gz UKXXGIUDXWICOS-BBVYRSAVSA-N 1 1 479.640 4.788 20 0 JJADMO CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@H]1CCN(c2ccccc2F)C1 ZINC001460327848 1067609502 /nfs/dbraw/zinc/60/95/02/1067609502.db2.gz YVWXQIXKLUKATP-DQEYMECFSA-N 1 1 451.630 4.844 20 0 JJADMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC001460341869 1067612428 /nfs/dbraw/zinc/61/24/28/1067612428.db2.gz IESJFFBPTFYUSZ-REWPJTCUSA-N 1 1 451.611 4.660 20 0 JJADMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCC[C@]2(C)Cc2cccc(Cl)c2)CC1 ZINC001460341957 1067612548 /nfs/dbraw/zinc/61/25/48/1067612548.db2.gz SXRCZOFUUFKPFZ-HHHXNRCGSA-N 1 1 454.058 4.780 20 0 JJADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCC[C@]2(C)Cc2cccc(Cl)c2)CC1 ZINC001460341957 1067612552 /nfs/dbraw/zinc/61/25/52/1067612552.db2.gz SXRCZOFUUFKPFZ-HHHXNRCGSA-N 1 1 454.058 4.780 20 0 JJADMO CCOc1ccccc1OCC(=O)N(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001460350481 1067614505 /nfs/dbraw/zinc/61/45/05/1067614505.db2.gz QWXKTGCHGRAJQU-VWLOTQADSA-N 1 1 459.590 4.553 20 0 JJADMO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@H+](Cc1cn(-c3ccc(Cl)c(Cl)c3)nn1)C2 ZINC001460363445 1067618603 /nfs/dbraw/zinc/61/86/03/1067618603.db2.gz QRSUNIPAUVTJCR-NYHFZMIOSA-N 1 1 466.413 4.701 20 0 JJADMO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@@H+](Cc1cn(-c3ccc(Cl)c(Cl)c3)nn1)C2 ZINC001460363445 1067618611 /nfs/dbraw/zinc/61/86/11/1067618611.db2.gz QRSUNIPAUVTJCR-NYHFZMIOSA-N 1 1 466.413 4.701 20 0 JJADMO C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCC[N@H+]1CC(=O)NCCCOC1CCCCC1 ZINC001460367456 1067619395 /nfs/dbraw/zinc/61/93/95/1067619395.db2.gz BELKRTZEWIPPOC-HSZRJFAPSA-N 1 1 456.549 4.838 20 0 JJADMO CCOC(=O)c1cc(COC)cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)c1 ZINC001460369152 1067620132 /nfs/dbraw/zinc/62/01/32/1067620132.db2.gz XSNBHUNNHQPORI-IZZNHLLZSA-N 1 1 464.606 4.887 20 0 JJADMO COc1ccc(NC(=O)C[N@H+]2CCC[C@]2(C)Cc2ccc(OC(F)(F)F)cc2)c(OC)c1 ZINC001460373432 1067620885 /nfs/dbraw/zinc/62/08/85/1067620885.db2.gz PFDYVCLEODOYBV-JOCHJYFZSA-N 1 1 452.473 4.638 20 0 JJADMO C[C@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1)c1ncc(Br)cn1 ZINC001460389432 1067624545 /nfs/dbraw/zinc/62/45/45/1067624545.db2.gz KPFPCRBJVHHALG-GDIGMMSISA-N 1 1 479.394 4.822 20 0 JJADMO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC001460404798 1067627620 /nfs/dbraw/zinc/62/76/20/1067627620.db2.gz JJNMCCYDTVUJRT-UHFFFAOYSA-N 1 1 452.437 4.508 20 0 JJADMO CN(C(=O)C[N@@H+]1CCc2ccccc2C(C)(C)C1)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC001460406027 1067628243 /nfs/dbraw/zinc/62/82/43/1067628243.db2.gz MYMPSFZOSBFGTR-HHHXNRCGSA-N 1 1 453.026 4.973 20 0 JJADMO CN(C(=O)C[N@H+]1CCc2ccccc2C(C)(C)C1)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC001460406027 1067628247 /nfs/dbraw/zinc/62/82/47/1067628247.db2.gz MYMPSFZOSBFGTR-HHHXNRCGSA-N 1 1 453.026 4.973 20 0 JJADMO Cc1ccc(NC(=O)C[NH+]2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cc1Cl ZINC001460407481 1067628848 /nfs/dbraw/zinc/62/88/48/1067628848.db2.gz JIZBQDPPWWJCCD-LJQANCHMSA-N 1 1 450.023 4.946 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H]([NH2+]Cc2ncc(Br)s2)C1 ZINC001460413986 1067630874 /nfs/dbraw/zinc/63/08/74/1067630874.db2.gz YSXGUKIQCRRHFM-HZPDHXFCSA-N 1 1 470.408 4.928 20 0 JJADMO CCc1ccc([C@H](NC(=O)C[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)c2cccs2)cc1 ZINC001460415715 1067631252 /nfs/dbraw/zinc/63/12/52/1067631252.db2.gz NAHAMBYDEBWGHX-QFIPXVFZSA-N 1 1 459.656 4.751 20 0 JJADMO CCc1ccc([C@H](NC(=O)C[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)c2cccs2)cc1 ZINC001460415715 1067631256 /nfs/dbraw/zinc/63/12/56/1067631256.db2.gz NAHAMBYDEBWGHX-QFIPXVFZSA-N 1 1 459.656 4.751 20 0 JJADMO Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@@]4(C)[C@@H](C3)C4(Br)Br)c2cc1C ZINC001460421408 1067632190 /nfs/dbraw/zinc/63/21/90/1067632190.db2.gz XZTOJEQGQUCSBT-AEFFLSMTSA-N 1 1 455.190 4.738 20 0 JJADMO Cc1cc2oc(=O)cc(C[N@H+]3CC[C@@]4(C)[C@@H](C3)C4(Br)Br)c2cc1C ZINC001460421408 1067632193 /nfs/dbraw/zinc/63/21/93/1067632193.db2.gz XZTOJEQGQUCSBT-AEFFLSMTSA-N 1 1 455.190 4.738 20 0 JJADMO Ic1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@H]4CCCCO4)C3)co2)cc1 ZINC001460452098 1067637134 /nfs/dbraw/zinc/63/71/34/1067637134.db2.gz KRTFPEDMQDZFDD-VQIMIIECSA-N 1 1 452.336 4.727 20 0 JJADMO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC001460491396 1067644700 /nfs/dbraw/zinc/64/47/00/1067644700.db2.gz STNZOZOQVNJAPK-MRXNPFEDSA-N 1 1 453.368 4.662 20 0 JJADMO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC001460491396 1067644705 /nfs/dbraw/zinc/64/47/05/1067644705.db2.gz STNZOZOQVNJAPK-MRXNPFEDSA-N 1 1 453.368 4.662 20 0 JJADMO CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1C[N@H+](CC(=O)Nc1cccc(Oc3ccccc3)c1)C2 ZINC001460516726 1067647591 /nfs/dbraw/zinc/64/75/91/1067647591.db2.gz LHRRDMZSPDAZHC-BCHFMIIMSA-N 1 1 451.567 4.797 20 0 JJADMO CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1C[N@@H+](CC(=O)Nc1cccc(Oc3ccccc3)c1)C2 ZINC001460516726 1067647595 /nfs/dbraw/zinc/64/75/95/1067647595.db2.gz LHRRDMZSPDAZHC-BCHFMIIMSA-N 1 1 451.567 4.797 20 0 JJADMO COC(=O)c1cnc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N[C@H](C)c3cccc4ccccc43)C2)s1 ZINC001460524946 1067649571 /nfs/dbraw/zinc/64/95/71/1067649571.db2.gz HQOICICBNLXAJF-ZIFCJYIRSA-N 1 1 451.592 4.528 20 0 JJADMO COC(=O)c1cnc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)N[C@H](C)c3cccc4ccccc43)C2)s1 ZINC001460524946 1067649576 /nfs/dbraw/zinc/64/95/76/1067649576.db2.gz HQOICICBNLXAJF-ZIFCJYIRSA-N 1 1 451.592 4.528 20 0 JJADMO CC(C)N(C)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1F ZINC001460563054 1067656542 /nfs/dbraw/zinc/65/65/42/1067656542.db2.gz QXDPUOSJJCFPHU-JOCHJYFZSA-N 1 1 454.590 4.815 20 0 JJADMO CCC1(CC)CN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)[NH+]2CCOCC2)CCS1 ZINC001546117462 1067662322 /nfs/dbraw/zinc/66/23/22/1067662322.db2.gz HPRKEIHTXDYNHD-UHFFFAOYSA-N 1 1 492.133 4.745 20 0 JJADMO C[NH+](C)C[C@@H](NC[C@@H](O)COc1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC001460599031 1067666313 /nfs/dbraw/zinc/66/63/13/1067666313.db2.gz WTQULFHYPMIUHB-DNVCBOLYSA-N 1 1 452.209 4.932 20 0 JJADMO O[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCOc1c(Br)cccc1Br ZINC001460606945 1067669678 /nfs/dbraw/zinc/66/96/78/1067669678.db2.gz IEGSTEWQFZMWSR-ZWKOTPCHSA-N 1 1 455.190 4.788 20 0 JJADMO O[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCOc1c(Br)cccc1Br ZINC001460606945 1067669682 /nfs/dbraw/zinc/66/96/82/1067669682.db2.gz IEGSTEWQFZMWSR-ZWKOTPCHSA-N 1 1 455.190 4.788 20 0 JJADMO CCOCC[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)[C@H]1CCc2ccccc21 ZINC001460618888 1067674565 /nfs/dbraw/zinc/67/45/65/1067674565.db2.gz QGUJFZHKEMZFOG-IBGZPJMESA-N 1 1 453.327 4.692 20 0 JJADMO CCOCC[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)[C@H]1CCc2ccccc21 ZINC001460618888 1067674572 /nfs/dbraw/zinc/67/45/72/1067674572.db2.gz QGUJFZHKEMZFOG-IBGZPJMESA-N 1 1 453.327 4.692 20 0 JJADMO CCCCNC(=O)CN1CC[NH+](Cc2ccc(-c3nc4cccc(Cl)c4s3)cc2)CC1 ZINC001460631465 1067679000 /nfs/dbraw/zinc/67/90/00/1067679000.db2.gz CVAZBNXNTZTEMR-UHFFFAOYSA-N 1 1 457.043 4.651 20 0 JJADMO COc1ccc([C@@H]2C[N@H+](Cc3coc(-c4ccccc4F)n3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001460648646 1067685661 /nfs/dbraw/zinc/68/56/61/1067685661.db2.gz DSKAVDNFQGWDFE-JTHBVZDNSA-N 1 1 467.541 4.982 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3coc(-c4ccccc4F)n3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001460648646 1067685666 /nfs/dbraw/zinc/68/56/66/1067685666.db2.gz DSKAVDNFQGWDFE-JTHBVZDNSA-N 1 1 467.541 4.982 20 0 JJADMO CN(C)C(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H]2Cc2cccc(Oc3ccccc3)c2)c1 ZINC001460660377 1067691893 /nfs/dbraw/zinc/69/18/93/1067691893.db2.gz OBEOREKKOYVINF-DEOSSOPVSA-N 1 1 457.574 4.826 20 0 JJADMO COc1cc(Br)ccc1CCC[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001460662455 1067692578 /nfs/dbraw/zinc/69/25/78/1067692578.db2.gz UAUBGODNGNKDNI-RBUKOAKNSA-N 1 1 453.421 4.864 20 0 JJADMO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001460670200 1067694516 /nfs/dbraw/zinc/69/45/16/1067694516.db2.gz JVBBZWZKEHFTNK-RBBKRZOGSA-N 1 1 450.652 4.630 20 0 JJADMO CCOC(=O)c1sc2nc(C[N@@H+]3CCC[C@H](c4ccccc4OC)CC3)nc(N)c2c1C ZINC001460678997 1067698634 /nfs/dbraw/zinc/69/86/34/1067698634.db2.gz SSMFJGQRGPRRQS-INIZCTEOSA-N 1 1 454.596 4.537 20 0 JJADMO CCOC(=O)c1sc2nc(C[N@H+]3CCC[C@H](c4ccccc4OC)CC3)nc(N)c2c1C ZINC001460678997 1067698635 /nfs/dbraw/zinc/69/86/35/1067698635.db2.gz SSMFJGQRGPRRQS-INIZCTEOSA-N 1 1 454.596 4.537 20 0 JJADMO CC(C)Cc1nnc(NC(=O)C[NH2+][C@H]2c3ccccc3N(C(=O)OC(C)(C)C)C2(C)C)s1 ZINC001460685617 1067701434 /nfs/dbraw/zinc/70/14/34/1067701434.db2.gz RZICKIPMWCBXQJ-IBGZPJMESA-N 1 1 459.616 4.540 20 0 JJADMO Cc1ccc(Oc2ccccc2NC(=O)C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1 ZINC001460698253 1067703770 /nfs/dbraw/zinc/70/37/70/1067703770.db2.gz UGHOKFDYVWHDSC-URXFXBBRSA-N 1 1 458.480 4.850 20 0 JJADMO Cc1ccc([C@H]2CC[N@@H+](CC(=O)N3c4ccccc4NC(=O)C[C@@H]3C(F)(F)F)C2(C)C)cc1 ZINC001460697462 1067703914 /nfs/dbraw/zinc/70/39/14/1067703914.db2.gz OZUKFHUQKZHWMT-WIYYLYMNSA-N 1 1 459.512 4.869 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC001460713008 1067706920 /nfs/dbraw/zinc/70/69/20/1067706920.db2.gz ZISLAPAZQYFEFZ-REWPJTCUSA-N 1 1 457.640 4.723 20 0 JJADMO COC(=O)CC[C@H]1CCC[N@H+](CC(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)C1 ZINC001460716395 1067707817 /nfs/dbraw/zinc/70/78/17/1067707817.db2.gz GXRDYWRDXAARSB-CYBMUJFWSA-N 1 1 456.395 4.721 20 0 JJADMO COC(=O)CC[C@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)C1 ZINC001460716395 1067707823 /nfs/dbraw/zinc/70/78/23/1067707823.db2.gz GXRDYWRDXAARSB-CYBMUJFWSA-N 1 1 456.395 4.721 20 0 JJADMO CN(C[C@@H](O)C[N@@H+](C)Cc1ccccc1)[C@@H](c1ccccc1)c1ccccc1Br ZINC001460732388 1067711637 /nfs/dbraw/zinc/71/16/37/1067711637.db2.gz RYRNJHUNXVBZGH-DHLKQENFSA-N 1 1 453.424 4.963 20 0 JJADMO CC[N@H+](Cc1ccc(Cl)cc1Oc1ccc(Cl)cc1)C[C@@H](O)CC1(O)CCOCC1 ZINC001460738868 1067712547 /nfs/dbraw/zinc/71/25/47/1067712547.db2.gz RXMLDFZMOHPBDX-FQEVSTJZSA-N 1 1 454.394 4.900 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCOCC3)O2)C1)C1CCCC1 ZINC001460751850 1067715974 /nfs/dbraw/zinc/71/59/74/1067715974.db2.gz RCGKFXVNWYLYBY-MDNUFGMLSA-N 1 1 450.664 4.900 20 0 JJADMO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC001460752379 1067716628 /nfs/dbraw/zinc/71/66/28/1067716628.db2.gz ZOSLQMJXFNHQDU-PXAZEXFGSA-N 1 1 457.324 4.838 20 0 JJADMO CCO[C@@H](C)c1ncc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)s1 ZINC001460758546 1067717973 /nfs/dbraw/zinc/71/79/73/1067717973.db2.gz AORSXTLYGVGYFO-BULFRSBZSA-N 1 1 453.583 4.778 20 0 JJADMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccc(OCC(F)(F)F)o1 ZINC001460759220 1067718487 /nfs/dbraw/zinc/71/84/87/1067718487.db2.gz FBDXWILNGPPYDB-VQTJNVASSA-N 1 1 462.443 4.758 20 0 JJADMO CC(C)C(=O)Nc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1 ZINC001460763697 1067719408 /nfs/dbraw/zinc/71/94/08/1067719408.db2.gz KIUBGKOJAQBBCP-IZZNHLLZSA-N 1 1 459.565 4.818 20 0 JJADMO C[C@@H]1C[N@@H+](CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001460774211 1067721011 /nfs/dbraw/zinc/72/10/11/1067721011.db2.gz HMEAUKAZUZZMIY-UZKOGDIHSA-N 1 1 463.638 4.902 20 0 JJADMO C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001460774645 1067721189 /nfs/dbraw/zinc/72/11/89/1067721189.db2.gz JYOPWKWLODVATO-WOJBJXKFSA-N 1 1 453.583 4.900 20 0 JJADMO C[C@@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)[NH+]1CCC(CCc2ccccc2)CC1 ZINC001460795659 1067724952 /nfs/dbraw/zinc/72/49/52/1067724952.db2.gz YHTUXABVGDPDRO-KRWDZBQOSA-N 1 1 459.512 4.724 20 0 JJADMO CC(C)(C)OC(=O)N1C[C@H](C[C@H]2COCC[N@@H+]2CCSc2ccncc2)c2ccccc21 ZINC001460836030 1067731925 /nfs/dbraw/zinc/73/19/25/1067731925.db2.gz VEFMASRQHVIACL-PMACEKPBSA-N 1 1 455.624 4.804 20 0 JJADMO CC(C)(C)OC(=O)N1C[C@H](C[C@H]2COCC[N@H+]2CCSc2ccncc2)c2ccccc21 ZINC001460836030 1067731936 /nfs/dbraw/zinc/73/19/36/1067731936.db2.gz VEFMASRQHVIACL-PMACEKPBSA-N 1 1 455.624 4.804 20 0 JJADMO C[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001460844471 1067733396 /nfs/dbraw/zinc/73/33/96/1067733396.db2.gz IYMHQSNPQBWYCG-VQIMIIECSA-N 1 1 456.414 4.598 20 0 JJADMO C[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001460844471 1067733403 /nfs/dbraw/zinc/73/34/03/1067733403.db2.gz IYMHQSNPQBWYCG-VQIMIIECSA-N 1 1 456.414 4.598 20 0 JJADMO CC(C)(C)OC(=O)NCC1([C@@H]2CCCC[N@H+]2C[C@H]2CCN(C(=O)c3ccccc3)C2)CCC1 ZINC001460846434 1067733835 /nfs/dbraw/zinc/73/38/35/1067733835.db2.gz DUWPGIBPUDPAGR-GGAORHGYSA-N 1 1 455.643 4.698 20 0 JJADMO CC(C)(C)OC(=O)NCC1([C@H]2CCCC[N@H+]2C[C@@H]2CCN(C(=O)c3ccccc3)C2)CCC1 ZINC001460846441 1067734449 /nfs/dbraw/zinc/73/44/49/1067734449.db2.gz DUWPGIBPUDPAGR-JTHBVZDNSA-N 1 1 455.643 4.698 20 0 JJADMO C[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001460878920 1067740789 /nfs/dbraw/zinc/74/07/89/1067740789.db2.gz HQQJGBBCZMEFGO-VCBZYWHSSA-N 1 1 456.414 4.581 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3nnc(-c4ccc(Cl)cc4Cl)o3)C[C@@H]2C1 ZINC001460881468 1067741812 /nfs/dbraw/zinc/74/18/12/1067741812.db2.gz CKBWJEKMJOLHEF-ZIAGYGMSSA-N 1 1 453.370 4.732 20 0 JJADMO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC001460884258 1067742193 /nfs/dbraw/zinc/74/21/93/1067742193.db2.gz YDRXPJYCARGRGC-OAHLLOKOSA-N 1 1 450.377 4.841 20 0 JJADMO CCC1(CC)CN(c2nnc(Cc3ccccn3)n2CC[N@@H+](C)Cc2ccccc2)CCS1 ZINC001546119961 1067743680 /nfs/dbraw/zinc/74/36/80/1067743680.db2.gz WSGFLELDPGLGEC-UHFFFAOYSA-N 1 1 464.683 4.508 20 0 JJADMO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC001460889087 1067743747 /nfs/dbraw/zinc/74/37/47/1067743747.db2.gz KDNWVYRBMDISRF-YCRPNKLZSA-N 1 1 451.792 4.722 20 0 JJADMO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC001460889087 1067743753 /nfs/dbraw/zinc/74/37/53/1067743753.db2.gz KDNWVYRBMDISRF-YCRPNKLZSA-N 1 1 451.792 4.722 20 0 JJADMO C[C@](CO)([NH2+]CC(=O)Nc1cccc(Oc2ccccc2)c1)c1cccc(Br)c1 ZINC001460912683 1067747096 /nfs/dbraw/zinc/74/70/96/1067747096.db2.gz WBJUIABPIRIAIF-HSZRJFAPSA-N 1 1 455.352 4.677 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@]2(CCC[N@@H+]2CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC001460914760 1067747343 /nfs/dbraw/zinc/74/73/43/1067747343.db2.gz BDPABMQCSMOSCM-AREMUKBSSA-N 1 1 451.567 4.893 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@]2(CCC[N@H+]2CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC001460914760 1067747355 /nfs/dbraw/zinc/74/73/55/1067747355.db2.gz BDPABMQCSMOSCM-AREMUKBSSA-N 1 1 451.567 4.893 20 0 JJADMO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1Cl ZINC001460922533 1067748838 /nfs/dbraw/zinc/74/88/38/1067748838.db2.gz WQMMRPFGALGSCV-QRQCRPRQSA-N 1 1 456.414 4.646 20 0 JJADMO C[C@@H](NC(=O)C[N@H+]1CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1Cl ZINC001460922533 1067748841 /nfs/dbraw/zinc/74/88/41/1067748841.db2.gz WQMMRPFGALGSCV-QRQCRPRQSA-N 1 1 456.414 4.646 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@]12C[N@@H+](CCOc3ccccc3Br)C[C@@H]1CCCC2 ZINC001460969506 1067754763 /nfs/dbraw/zinc/75/47/63/1067754763.db2.gz CYWXAMMFCIAHPN-JTSKRJEESA-N 1 1 453.421 4.845 20 0 JJADMO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C1 ZINC001460974677 1067755134 /nfs/dbraw/zinc/75/51/34/1067755134.db2.gz OPBXPJAAIGMWJO-SFHVURJKSA-N 1 1 455.603 4.643 20 0 JJADMO CC[N@@H+](CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460989545 1067758569 /nfs/dbraw/zinc/75/85/69/1067758569.db2.gz XFRNZAAALKQSTF-LJQANCHMSA-N 1 1 458.430 4.673 20 0 JJADMO C[C@@H]([NH2+]Cc1ccc(F)cc1I)c1ccc(NC(=O)NC2CC2)cc1 ZINC001461050547 1067769613 /nfs/dbraw/zinc/76/96/13/1067769613.db2.gz IDSLFYUFJVKPBT-GFCCVEGCSA-N 1 1 453.299 4.565 20 0 JJADMO C[NH+]1CCN(C(=O)Cc2ccc(NCc3cccc(OCCCc4ccccc4)c3)cc2)CC1 ZINC001461092696 1067780676 /nfs/dbraw/zinc/78/06/76/1067780676.db2.gz IHHUPYQFEIWSIU-UHFFFAOYSA-N 1 1 457.618 4.627 20 0 JJADMO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC001461115151 1067784464 /nfs/dbraw/zinc/78/44/64/1067784464.db2.gz OGRMAXKPEWJLRW-UHFFFAOYSA-N 1 1 450.029 4.830 20 0 JJADMO CC(C)N(C(=O)c1cccc(OCC(=O)OC(C)(C)C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001461117685 1067784931 /nfs/dbraw/zinc/78/49/31/1067784931.db2.gz YBVSXQUUFHNKCV-HSZRJFAPSA-N 1 1 452.595 4.532 20 0 JJADMO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC001461177012 1067792955 /nfs/dbraw/zinc/79/29/55/1067792955.db2.gz GETHVIGNPPXCPU-SFHVURJKSA-N 1 1 457.594 4.560 20 0 JJADMO Fc1ccc([C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc2I)cc1 ZINC001461202205 1067798552 /nfs/dbraw/zinc/79/85/52/1067798552.db2.gz LEEDLZDFVREHQD-LQWHRVPQSA-N 1 1 450.339 4.736 20 0 JJADMO CN(C)c1cccc(Cl)c1C[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC001461210047 1067799680 /nfs/dbraw/zinc/79/96/80/1067799680.db2.gz ZSIVARWJZMPUFD-UHFFFAOYSA-N 1 1 459.837 4.511 20 0 JJADMO COc1ccc([C@@H]([NH2+]Cc2ccc3c(c2)sc(=O)n3C)c2ccc(OC)cc2OC)cc1 ZINC001461209655 1067799767 /nfs/dbraw/zinc/79/97/67/1067799767.db2.gz UYVKTZZWTIMWFC-XMMPIXPASA-N 1 1 450.560 4.505 20 0 JJADMO Cc1ccc([C@H]([NH2+]Cc2cncc(Br)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001461220002 1067802205 /nfs/dbraw/zinc/80/22/05/1067802205.db2.gz WSWVSUBQYKMNCW-JOCHJYFZSA-N 1 1 459.409 4.744 20 0 JJADMO COc1ccc(-c2ccccc2C)cc1CNCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC001461230909 1067805447 /nfs/dbraw/zinc/80/54/47/1067805447.db2.gz JKWORAKMJMOYIH-UHFFFAOYSA-N 1 1 457.618 4.786 20 0 JJADMO C[C@]1(NC(=O)c2ccc(OC(F)(F)F)cc2Br)CC[N@@H+](Cc2ccccc2)C1 ZINC001461270961 1067814974 /nfs/dbraw/zinc/81/49/74/1067814974.db2.gz GPHBHEJGUIRFTG-IBGZPJMESA-N 1 1 457.290 4.742 20 0 JJADMO Cc1ccc(C(=O)N[C@@H](CC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC001461272363 1067815805 /nfs/dbraw/zinc/81/58/05/1067815805.db2.gz MKEATNJPWMTPER-LITSAYRRSA-N 1 1 455.602 4.637 20 0 JJADMO CSc1nc(-c2ccco2)nc(C)c1C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC001461298898 1067822250 /nfs/dbraw/zinc/82/22/50/1067822250.db2.gz GPOZPWLIIMTOLS-QXAKKESOSA-N 1 1 450.608 4.890 20 0 JJADMO CC1CC[NH+](c2ccc(NCc3cnnn3[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC001461313728 1067825911 /nfs/dbraw/zinc/82/59/11/1067825911.db2.gz NJWDICQRDJVWQN-JOCHJYFZSA-N 1 1 454.619 4.699 20 0 JJADMO CC1CC[NH+](c2ccc(NCc3cnnn3[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC001461313733 1067826003 /nfs/dbraw/zinc/82/60/03/1067826003.db2.gz NJWDICQRDJVWQN-QFIPXVFZSA-N 1 1 454.619 4.699 20 0 JJADMO CC[NH+]1CCN(C(=O)Cc2ccc(NCc3oc4ccccc4c3Br)cc2)CC1 ZINC001461316116 1067826468 /nfs/dbraw/zinc/82/64/68/1067826468.db2.gz RJFCLFVCMIWUKW-UHFFFAOYSA-N 1 1 456.384 4.514 20 0 JJADMO Cc1ccc(C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)c(OC[C@@H]2CCCO2)c1 ZINC001461323467 1067828132 /nfs/dbraw/zinc/82/81/32/1067828132.db2.gz DUILFFXYLLGYDL-FQEVSTJZSA-N 1 1 456.384 4.995 20 0 JJADMO O=C(N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21)C(F)(F)c1cc(Cl)ccc1Cl ZINC001461326411 1067829166 /nfs/dbraw/zinc/82/91/66/1067829166.db2.gz AGVFAPBRFLQQTN-WOJBJXKFSA-N 1 1 455.332 4.587 20 0 JJADMO O=C(CCCc1cc(Cl)sc1Cl)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001461337078 1067832252 /nfs/dbraw/zinc/83/22/52/1067832252.db2.gz YURMGNBNAFXUSZ-OALUTQOASA-N 1 1 453.435 4.880 20 0 JJADMO CN1CC[NH+](CCCOc2ccc(NC(=O)C3(Sc4ccccc4)CCCC3)cc2)CC1 ZINC001461343537 1067834722 /nfs/dbraw/zinc/83/47/22/1067834722.db2.gz HNQXJFQSOCVYPO-UHFFFAOYSA-N 1 1 453.652 4.747 20 0 JJADMO CN1CC[NH+](CCCOc2ccc(NC(=O)C(F)(F)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC001461348108 1067835792 /nfs/dbraw/zinc/83/57/92/1067835792.db2.gz ZPGVBAISMWCJPX-UHFFFAOYSA-N 1 1 459.581 4.731 20 0 JJADMO CC[N@@H+](CCCNC(=O)[C@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C)C1CCCCC1 ZINC001461358867 1067838235 /nfs/dbraw/zinc/83/82/35/1067838235.db2.gz JIGLEHNYVARIPK-HSZRJFAPSA-N 1 1 459.631 4.518 20 0 JJADMO COc1cc(Br)c(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1OC ZINC001461381222 1067842833 /nfs/dbraw/zinc/84/28/33/1067842833.db2.gz LBDPUDUTRWHMII-RCZSKKKRSA-N 1 1 459.428 4.857 20 0 JJADMO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC001461381001 1067842994 /nfs/dbraw/zinc/84/29/94/1067842994.db2.gz GWKMODSHYIXERF-CWTRNNRKSA-N 1 1 453.743 4.688 20 0 JJADMO Cc1nn(-c2ccccc2Br)cc1C[NH2+]Cc1ccncc1OCC(F)(F)F ZINC001461459663 1067861701 /nfs/dbraw/zinc/86/17/01/1067861701.db2.gz BUPSULMBUTWBQG-UHFFFAOYSA-N 1 1 455.278 4.569 20 0 JJADMO Fc1ccc(-n2cc(C[NH2+]C3(c4cccc(C(F)(F)F)c4)CCOCC3)nn2)c(Cl)c1 ZINC001461466523 1067864106 /nfs/dbraw/zinc/86/41/06/1067864106.db2.gz VFHQVMBXBBWGEY-UHFFFAOYSA-N 1 1 454.855 4.874 20 0 JJADMO CC(=O)N(c1nc(CNC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cs1)c1ccc(F)cc1 ZINC001461469269 1067865331 /nfs/dbraw/zinc/86/53/31/1067865331.db2.gz BGJDBFYYGATYAI-RUZDIDTESA-N 1 1 452.599 4.969 20 0 JJADMO C[C@@H](CN(C)C)[NH2+]Cc1cc(Br)cc(Br)c1OCc1ccccc1 ZINC001461488179 1067873581 /nfs/dbraw/zinc/87/35/81/1067873581.db2.gz PJXAKXNPKOCQGY-AWEZNQCLSA-N 1 1 456.222 4.830 20 0 JJADMO CN(C(=O)c1ccc(NCc2c(F)ccc(Br)c2F)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC001461564069 1067889408 /nfs/dbraw/zinc/88/94/08/1067889408.db2.gz JPRRPKUWDIUEJH-INIZCTEOSA-N 1 1 452.343 4.506 20 0 JJADMO CC(C)(C)OC(=O)NCc1ccc(C[NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)cc1 ZINC001461587465 1067894853 /nfs/dbraw/zinc/89/48/53/1067894853.db2.gz FDKROJZYCSILSO-UHFFFAOYSA-N 1 1 450.938 4.839 20 0 JJADMO CC(C)[C@@H]1CN(C(=O)C2CCC(NC(=O)CC3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001461598808 1067898684 /nfs/dbraw/zinc/89/86/84/1067898684.db2.gz MODVPMXGZFJPCP-WNMGUVTHSA-N 1 1 453.671 4.611 20 0 JJADMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ncc(Cc4c(F)cccc4F)s3)cc2)C[C@H](C)O1 ZINC001461610579 1067901260 /nfs/dbraw/zinc/90/12/60/1067901260.db2.gz VUJWRZIKUITTMX-HOTGVXAUSA-N 1 1 457.546 4.874 20 0 JJADMO CCN(C(C)=O)c1nc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)cs1 ZINC001461627907 1067904918 /nfs/dbraw/zinc/90/49/18/1067904918.db2.gz PKISNXOJKWCEFZ-NHCUHLMSSA-N 1 1 476.618 4.538 20 0 JJADMO COCO[C@@H](C)c1cc(F)c(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)cc1Br ZINC001461666386 1067913889 /nfs/dbraw/zinc/91/38/89/1067913889.db2.gz DVKAESWUNCXDGW-AWEZNQCLSA-N 1 1 453.352 4.777 20 0 JJADMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Cl)cc1 ZINC001461676530 1067915908 /nfs/dbraw/zinc/91/59/08/1067915908.db2.gz FWEPFSZCWBJCCC-GOSISDBHSA-N 1 1 459.974 4.700 20 0 JJADMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Cl)cc1 ZINC001461676530 1067915912 /nfs/dbraw/zinc/91/59/12/1067915912.db2.gz FWEPFSZCWBJCCC-GOSISDBHSA-N 1 1 459.974 4.700 20 0 JJADMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc(F)c(OCc3ccccc3)c(F)c2)cc1 ZINC001461678928 1067916962 /nfs/dbraw/zinc/91/69/62/1067916962.db2.gz RHFXRXYVNAMLMQ-NRFANRHFSA-N 1 1 452.501 4.557 20 0 JJADMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc(F)c(OCc3ccccc3)c(F)c2)cc1 ZINC001461678928 1067916971 /nfs/dbraw/zinc/91/69/71/1067916971.db2.gz RHFXRXYVNAMLMQ-NRFANRHFSA-N 1 1 452.501 4.557 20 0 JJADMO O=C1[C@H]([NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CCN1c1ccc(Cl)cc1F ZINC001461688289 1067918729 /nfs/dbraw/zinc/91/87/29/1067918729.db2.gz VPEUJMDWQOQWEZ-GOSISDBHSA-N 1 1 452.839 4.579 20 0 JJADMO COc1ncc(Br)cc1CNc1ccc(C[N@@H+](C)CCOc2ccccc2)cc1 ZINC001461750831 1067930340 /nfs/dbraw/zinc/93/03/40/1067930340.db2.gz CBYZTYIFBQCECH-UHFFFAOYSA-N 1 1 456.384 4.976 20 0 JJADMO COc1ccc(OC)c(C[NH2+][C@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)c1 ZINC001461809562 1067940445 /nfs/dbraw/zinc/94/04/45/1067940445.db2.gz GRZLHMRSBJGQJP-LVXARBLLSA-N 1 1 454.567 4.697 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(NC(=O)OC(C)(C)C)cc2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001461848487 1067946218 /nfs/dbraw/zinc/94/62/18/1067946218.db2.gz CGWYMOSZLXQIPP-GOSISDBHSA-N 1 1 458.002 4.962 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccc(NC(=O)OC(C)(C)C)cc2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001461848487 1067946226 /nfs/dbraw/zinc/94/62/26/1067946226.db2.gz CGWYMOSZLXQIPP-GOSISDBHSA-N 1 1 458.002 4.962 20 0 JJADMO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC001461848285 1067946322 /nfs/dbraw/zinc/94/63/22/1067946322.db2.gz HLZOITPEIHLAOM-UHFFFAOYSA-N 1 1 459.432 4.558 20 0 JJADMO Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC001461848285 1067946325 /nfs/dbraw/zinc/94/63/25/1067946325.db2.gz HLZOITPEIHLAOM-UHFFFAOYSA-N 1 1 459.432 4.558 20 0 JJADMO CC(C)(C)OC(=O)Nc1ccc(-c2cccc(C[N@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)n2)cc1 ZINC001461849748 1067946608 /nfs/dbraw/zinc/94/66/08/1067946608.db2.gz NBPBJTOVNLJPGV-VQTJNVASSA-N 1 1 451.489 4.983 20 0 JJADMO Cc1cc(OCC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)ccc1Br ZINC001461855973 1067948104 /nfs/dbraw/zinc/94/81/04/1067948104.db2.gz LVSZXBJHJNGUKU-HXUWFJFHSA-N 1 1 457.412 4.555 20 0 JJADMO Cc1cc(C[N@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)c(Br)cc1F ZINC001461871772 1067951776 /nfs/dbraw/zinc/95/17/76/1067951776.db2.gz JTJUQJPNWHAEON-AWEZNQCLSA-N 1 1 450.270 4.787 20 0 JJADMO Cc1cc(C[N@@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)c(Br)cc1F ZINC001461871772 1067951781 /nfs/dbraw/zinc/95/17/81/1067951781.db2.gz JTJUQJPNWHAEON-AWEZNQCLSA-N 1 1 450.270 4.787 20 0 JJADMO CC1(C)C[N@@H+](Cc2ccccc2)C(C)(C)CN1C(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC001461875868 1067952574 /nfs/dbraw/zinc/95/25/74/1067952574.db2.gz YDCFZTGPGMOFDK-OAQYLSRUSA-N 1 1 457.412 4.654 20 0 JJADMO CC(C)Sc1cc(Br)ccc1C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001461892796 1067955763 /nfs/dbraw/zinc/95/57/63/1067955763.db2.gz XOJGMPKEVGKKOP-UHFFFAOYSA-N 1 1 453.368 4.840 20 0 JJADMO Cc1ccccc1C[N@@H+](Cc1ccccc1)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC001461893694 1067956245 /nfs/dbraw/zinc/95/62/45/1067956245.db2.gz FUIMSXQQEVZWGD-UHFFFAOYSA-N 1 1 459.409 4.607 20 0 JJADMO CCOc1cc(C[N@@H+]2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc(Br)c1O ZINC001461893845 1067956318 /nfs/dbraw/zinc/95/63/18/1067956318.db2.gz CFBHJBGIMUROCC-HNNXBMFYSA-N 1 1 457.409 4.632 20 0 JJADMO CCOc1cc(C[N@H+]2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc(Br)c1O ZINC001461893845 1067956321 /nfs/dbraw/zinc/95/63/21/1067956321.db2.gz CFBHJBGIMUROCC-HNNXBMFYSA-N 1 1 457.409 4.632 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H]([N@H+](Cc2cnc(C3OCCO3)s2)Cc2ccccc2)C1 ZINC001461899692 1067957484 /nfs/dbraw/zinc/95/74/84/1067957484.db2.gz ISYOEDCPGCGJGI-IBGZPJMESA-N 1 1 459.612 4.590 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H]([N@@H+](Cc2cnc(C3OCCO3)s2)Cc2ccccc2)C1 ZINC001461899692 1067957486 /nfs/dbraw/zinc/95/74/86/1067957486.db2.gz ISYOEDCPGCGJGI-IBGZPJMESA-N 1 1 459.612 4.590 20 0 JJADMO CC(C)(C)OC(=O)NCc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC001461900451 1067957962 /nfs/dbraw/zinc/95/79/62/1067957962.db2.gz RMCQAKFJURXDGI-UHFFFAOYSA-N 1 1 458.002 4.713 20 0 JJADMO CC(C)(C)OC(=O)NC(C)(C)c1cc(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)on1 ZINC001461905357 1067958798 /nfs/dbraw/zinc/95/87/98/1067958798.db2.gz RWXSPUJOLGPHDY-UHFFFAOYSA-N 1 1 451.514 4.756 20 0 JJADMO CC(C)COC(=O)N1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC001461912639 1067960057 /nfs/dbraw/zinc/96/00/57/1067960057.db2.gz UNLFCHDTZGSXDQ-UHFFFAOYSA-N 1 1 450.558 4.979 20 0 JJADMO C[C@@H](C[N@@H+](C)Cc1ccc(Br)cc1SCCS(C)(=O)=O)c1ccccc1 ZINC001461912685 1067960210 /nfs/dbraw/zinc/96/02/10/1067960210.db2.gz HCWGOLXYXZDZQJ-INIZCTEOSA-N 1 1 456.471 4.821 20 0 JJADMO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2CCCc2ccccc2)C1 ZINC001461928360 1067962319 /nfs/dbraw/zinc/96/23/19/1067962319.db2.gz RPOLSAQDBFGFDM-BJKOFHAPSA-N 1 1 457.659 4.627 20 0 JJADMO CN(C)c1cc(Cl)cc(Cl)c1C[N@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001461934345 1067964087 /nfs/dbraw/zinc/96/40/87/1067964087.db2.gz JDPUIFRWVRYQPG-HNNXBMFYSA-N 1 1 451.316 4.950 20 0 JJADMO CN(C)c1cc(Cl)cc(Cl)c1C[N@@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001461934345 1067964092 /nfs/dbraw/zinc/96/40/92/1067964092.db2.gz JDPUIFRWVRYQPG-HNNXBMFYSA-N 1 1 451.316 4.950 20 0 JJADMO CC(=O)Nc1cc(Br)ccc1C[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC001461949276 1067967548 /nfs/dbraw/zinc/96/75/48/1067967548.db2.gz MHIJSLFLTRESMJ-UHFFFAOYSA-N 1 1 455.356 4.837 20 0 JJADMO CCOC(=O)Cn1cc(C[N@H+](Cc2ccco2)Cc2ccc(C)s2)c(-c2cccnc2)n1 ZINC001461966167 1067970807 /nfs/dbraw/zinc/97/08/07/1067970807.db2.gz BWKRKSZMOUKOCP-UHFFFAOYSA-N 1 1 450.564 4.674 20 0 JJADMO CCOC(=O)Cn1cc(C[N@@H+](Cc2ccco2)Cc2ccc(C)s2)c(-c2cccnc2)n1 ZINC001461966167 1067970813 /nfs/dbraw/zinc/97/08/13/1067970813.db2.gz BWKRKSZMOUKOCP-UHFFFAOYSA-N 1 1 450.564 4.674 20 0 JJADMO Cc1ccc(C(=O)N[C@H](CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)c2ccccc2)cc1 ZINC001461986818 1067975376 /nfs/dbraw/zinc/97/53/76/1067975376.db2.gz BRKRAQSPVYFXGW-WNCULLNHSA-N 1 1 455.602 4.762 20 0 JJADMO Cc1ccc(C(=O)N[C@H](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)c2ccccc2)cc1 ZINC001461986820 1067975596 /nfs/dbraw/zinc/97/55/96/1067975596.db2.gz BRKRAQSPVYFXGW-YIXXDRMTSA-N 1 1 455.602 4.762 20 0 JJADMO COC(=O)c1ccc(C[N@@H+](C)CCOc2ccc(Br)cc2)cc1Br ZINC001462003861 1067978634 /nfs/dbraw/zinc/97/86/34/1067978634.db2.gz YXBQNQKZYQURHU-UHFFFAOYSA-N 1 1 457.162 4.509 20 0 JJADMO CCOc1ccccc1C[N@@H+](CCCn1ccnc1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001462026204 1067984130 /nfs/dbraw/zinc/98/41/30/1067984130.db2.gz ZPGRXBBEGYPTHT-QFIPXVFZSA-N 1 1 456.631 4.821 20 0 JJADMO CC(=O)Nc1cc(Br)ccc1C[N@@H+]1CCc2c(Br)ccc(F)c2C1 ZINC001462053909 1067991883 /nfs/dbraw/zinc/99/18/83/1067991883.db2.gz VSGRMUKRXLPECD-UHFFFAOYSA-N 1 1 456.153 4.867 20 0 JJADMO CC(=O)Nc1cc(Br)ccc1C[N@H+]1CCc2c(Br)ccc(F)c2C1 ZINC001462053909 1067991888 /nfs/dbraw/zinc/99/18/88/1067991888.db2.gz VSGRMUKRXLPECD-UHFFFAOYSA-N 1 1 456.153 4.867 20 0 JJADMO O=C(NCc1ccccc1)C1CC[NH+](Cc2cc(C(F)(F)F)ccc2Br)CC1 ZINC001462054096 1067991988 /nfs/dbraw/zinc/99/19/88/1067991988.db2.gz MHZZGWPMEXKLBF-UHFFFAOYSA-N 1 1 455.318 4.996 20 0 JJADMO COCO[C@@H](C)c1cc(F)c(CN(C)Cc2[nH+]cc(C)c(OC)c2C)cc1Br ZINC001462077318 1067997484 /nfs/dbraw/zinc/99/74/84/1067997484.db2.gz ZXGCQQRWVSIHDM-HNNXBMFYSA-N 1 1 455.368 4.922 20 0 JJADMO FC(F)(F)c1ccn([C@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccc(Br)cc3)C2)n1 ZINC001462079343 1067997566 /nfs/dbraw/zinc/99/75/66/1067997566.db2.gz FGDVBQHEJSCPDM-INIZCTEOSA-N 1 1 454.294 4.892 20 0 JJADMO CN(C)c1ccc(F)cc1C[N@H+](C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC001462093277 1068000478 /nfs/dbraw/zinc/00/04/78/1068000478.db2.gz HREZSIDSXCZPGI-IBGZPJMESA-N 1 1 451.380 4.844 20 0 JJADMO CN(C)c1ccc(F)cc1C[N@@H+](C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC001462093277 1068000491 /nfs/dbraw/zinc/00/04/91/1068000491.db2.gz HREZSIDSXCZPGI-IBGZPJMESA-N 1 1 451.380 4.844 20 0 JJADMO COC(=O)c1cnc(Cl)c(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)c1 ZINC001462097145 1068001663 /nfs/dbraw/zinc/00/16/63/1068001663.db2.gz QYHQSNPUBQZBRX-QFQXNSOFSA-N 1 1 463.965 4.550 20 0 JJADMO CCOC(=O)c1cnn2cc(C[N@@H+](C)C[C@H](CC)Oc3ccc(Cl)c(Cl)c3)cnc12 ZINC001462106311 1068004371 /nfs/dbraw/zinc/00/43/71/1068004371.db2.gz VMFVMQXLZFJBSN-HNNXBMFYSA-N 1 1 451.354 4.502 20 0 JJADMO Cc1cc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)nn1-c1ccc(Cl)cc1Cl ZINC001462118868 1068008599 /nfs/dbraw/zinc/00/85/99/1068008599.db2.gz IWESXXLJVKKLJE-LPHOPBHVSA-N 1 1 457.405 4.985 20 0 JJADMO CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1cc(Br)cc(Br)c1N ZINC001462120286 1068008847 /nfs/dbraw/zinc/00/88/47/1068008847.db2.gz UMOPWFDCEDJJHH-IBGZPJMESA-N 1 1 456.222 4.957 20 0 JJADMO Cc1nc(COc2ccc(F)cc2)sc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001462124707 1068010794 /nfs/dbraw/zinc/01/07/94/1068010794.db2.gz PNPWRJFWRFJLHT-FXAWDEMLSA-N 1 1 453.583 4.668 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 ZINC001462124818 1068010837 /nfs/dbraw/zinc/01/08/37/1068010837.db2.gz PTGFJCRLJMACTO-GHTZIAJQSA-N 1 1 452.986 4.597 20 0 JJADMO COC(=O)c1ccc(COc2ccccc2CN2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1 ZINC001462129822 1068011971 /nfs/dbraw/zinc/01/19/71/1068011971.db2.gz OVKIKRCTSRXCPA-HXUWFJFHSA-N 1 1 450.604 4.993 20 0 JJADMO CC(C)[N@@H+](Cc1cc(Br)ccc1Br)C[C@@H](O)COc1ccccc1 ZINC001462152349 1068017141 /nfs/dbraw/zinc/01/71/41/1068017141.db2.gz APKQUXMUVNCCMC-QGZVFWFLSA-N 1 1 457.206 4.862 20 0 JJADMO CC(C)[N@H+](Cc1cc(Br)ccc1Br)C[C@@H](O)COc1ccccc1 ZINC001462152349 1068017158 /nfs/dbraw/zinc/01/71/58/1068017158.db2.gz APKQUXMUVNCCMC-QGZVFWFLSA-N 1 1 457.206 4.862 20 0 JJADMO Brc1cccc(OCC[N@H+](Cc2cccc3c2OCO3)C[C@@H]2CCCS2)c1 ZINC001462169980 1068021059 /nfs/dbraw/zinc/02/10/59/1068021059.db2.gz LBAGSHAOBQNXLE-IBGZPJMESA-N 1 1 450.398 4.954 20 0 JJADMO COc1ccc(C[N@H+]2CCC[C@@H]2COC(=O)NC2CCCCC2)c(OCc2cccnc2)c1 ZINC001462216714 1068030595 /nfs/dbraw/zinc/03/05/95/1068030595.db2.gz IPZORIFUXWMFHE-HSZRJFAPSA-N 1 1 453.583 4.693 20 0 JJADMO C[C@H]1CCCN(C(=O)OC[C@H]2CCCC[N@@H+]2Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC001462222826 1068031855 /nfs/dbraw/zinc/03/18/55/1068031855.db2.gz CTOZIYFMRLIOTG-DLBZAZTESA-N 1 1 452.621 4.713 20 0 JJADMO C[C@H]1CCCN(C(=O)OC[C@H]2CCCC[N@H+]2Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC001462222826 1068031865 /nfs/dbraw/zinc/03/18/65/1068031865.db2.gz CTOZIYFMRLIOTG-DLBZAZTESA-N 1 1 452.621 4.713 20 0 JJADMO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+](C[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001462227426 1068033014 /nfs/dbraw/zinc/03/30/14/1068033014.db2.gz DFFZTHDWYSXEFV-DEOSSOPVSA-N 1 1 451.652 4.747 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCC[N@@H+](C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001462249102 1068038200 /nfs/dbraw/zinc/03/82/00/1068038200.db2.gz RKNVPKWJCVGXPK-PCCBWWKXSA-N 1 1 451.652 4.603 20 0 JJADMO Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)c2cc3ccc(Br)cc3s2)C1 ZINC001462257318 1068039548 /nfs/dbraw/zinc/03/95/48/1068039548.db2.gz GHLLQMUOCWYOGL-IBGZPJMESA-N 1 1 459.409 4.603 20 0 JJADMO Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)c2cc3ccc(Br)cc3s2)C1 ZINC001462257318 1068039560 /nfs/dbraw/zinc/03/95/60/1068039560.db2.gz GHLLQMUOCWYOGL-IBGZPJMESA-N 1 1 459.409 4.603 20 0 JJADMO CC(=O)c1ccc(Oc2ccc(C(=O)NC[C@H]3C[N@H+](Cc4ccccc4C)CCO3)cc2)cc1 ZINC001462262392 1068040662 /nfs/dbraw/zinc/04/06/62/1068040662.db2.gz UKBFAMCHAZVIJC-MHZLTWQESA-N 1 1 458.558 4.621 20 0 JJADMO CC(=O)c1ccc(Oc2ccc(C(=O)NC[C@H]3C[N@@H+](Cc4ccccc4C)CCO3)cc2)cc1 ZINC001462262392 1068040674 /nfs/dbraw/zinc/04/06/74/1068040674.db2.gz UKBFAMCHAZVIJC-MHZLTWQESA-N 1 1 458.558 4.621 20 0 JJADMO CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001462268893 1068041540 /nfs/dbraw/zinc/04/15/40/1068041540.db2.gz GABMIKRDYVQWFC-OZXSUGGESA-N 1 1 456.696 4.859 20 0 JJADMO COC(=O)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001462272528 1068042127 /nfs/dbraw/zinc/04/21/27/1068042127.db2.gz CMEZJEMDYJXNST-RTBURBONSA-N 1 1 455.599 4.814 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H](C[NH+]1CC(Cc2ccccc2OC(F)(F)F)C1)CC(F)(F)F ZINC001462321212 1068050595 /nfs/dbraw/zinc/05/05/95/1068050595.db2.gz KYZKYOMZTCIHHX-OAHLLOKOSA-N 1 1 456.427 4.905 20 0 JJADMO CCOc1cc(C[N@H+]2CC3(CCOCC3)[C@H]2C(C)C)ccc1OCc1ccc(C(=O)OC)o1 ZINC001462349139 1068056525 /nfs/dbraw/zinc/05/65/25/1068056525.db2.gz SRLHQXUMJATMCI-XMMPIXPASA-N 1 1 457.567 4.681 20 0 JJADMO COCc1ccccc1/C=C(\C)C[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1 ZINC001462359252 1068059092 /nfs/dbraw/zinc/05/90/92/1068059092.db2.gz AXYOSCPLYJDQAE-CMXQABAWSA-N 1 1 458.396 4.887 20 0 JJADMO CCC1(Cn2c(-c3ccc(Br)cc3Cl)nnc2N2CC[NH+](CCOC)CC2)CCC1 ZINC001546131111 1068060811 /nfs/dbraw/zinc/06/08/11/1068060811.db2.gz PDLQLOPIRJYSHM-UHFFFAOYSA-N 1 1 496.881 4.710 20 0 JJADMO COc1cc(Br)c(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@H]2C)cc1O ZINC001462386307 1068063885 /nfs/dbraw/zinc/06/38/85/1068063885.db2.gz NKFXXASOMOSZSO-LZWOXQAQSA-N 1 1 457.409 4.535 20 0 JJADMO COc1cc(Br)c(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@H]2C)cc1O ZINC001462386307 1068063896 /nfs/dbraw/zinc/06/38/96/1068063896.db2.gz NKFXXASOMOSZSO-LZWOXQAQSA-N 1 1 457.409 4.535 20 0 JJADMO COc1cc(Br)c(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@@H]2C)cc1O ZINC001462385351 1068064071 /nfs/dbraw/zinc/06/40/71/1068064071.db2.gz NKFXXASOMOSZSO-DZKIICNBSA-N 1 1 457.409 4.535 20 0 JJADMO COc1cc(Br)c(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@@H]2C)cc1O ZINC001462385351 1068064087 /nfs/dbraw/zinc/06/40/87/1068064087.db2.gz NKFXXASOMOSZSO-DZKIICNBSA-N 1 1 457.409 4.535 20 0 JJADMO CCOC(=O)/C=C/c1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1 ZINC001462398221 1068065678 /nfs/dbraw/zinc/06/56/78/1068065678.db2.gz RGEXCOIFLDXXRU-FYSPASCKSA-N 1 1 455.558 4.512 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC001462410554 1068067933 /nfs/dbraw/zinc/06/79/33/1068067933.db2.gz ZVTFQUVYSPDMRK-MBOZVWFJSA-N 1 1 458.521 4.711 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cccc(Br)c3)C2)C1 ZINC001462409588 1068068084 /nfs/dbraw/zinc/06/80/84/1068068084.db2.gz VKDUKHSYTRQZGT-SXLOBPIMSA-N 1 1 453.421 4.733 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccccc3OCC(F)F)C2)C1 ZINC001462409931 1068068293 /nfs/dbraw/zinc/06/82/93/1068068293.db2.gz XQKFIKCTGFJKRS-SFHLNBCPSA-N 1 1 454.558 4.615 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cccc(Br)c3)C2)C1 ZINC001462409585 1068068369 /nfs/dbraw/zinc/06/83/69/1068068369.db2.gz VKDUKHSYTRQZGT-RLLQIKCJSA-N 1 1 453.421 4.733 20 0 JJADMO C[C@@H]1CN(c2ccccc2C[N@H+]2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)CCO1 ZINC001462424758 1068071776 /nfs/dbraw/zinc/07/17/76/1068071776.db2.gz GLTUSPSQGZAGAP-GGAORHGYSA-N 1 1 457.659 4.771 20 0 JJADMO C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CC[C@]2(C1)C[N@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC001462447231 1068076524 /nfs/dbraw/zinc/07/65/24/1068076524.db2.gz SCNIZKHKHAKHGO-RZIGYZOXSA-N 1 1 450.623 4.643 20 0 JJADMO C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CC[C@]2(C1)C[N@@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC001462447231 1068076539 /nfs/dbraw/zinc/07/65/39/1068076539.db2.gz SCNIZKHKHAKHGO-RZIGYZOXSA-N 1 1 450.623 4.643 20 0 JJADMO CC(C)Oc1cc(Br)ccc1C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001462460129 1068078639 /nfs/dbraw/zinc/07/86/39/1068078639.db2.gz BFNAIQBDXHSQNT-FQEVSTJZSA-N 1 1 458.400 4.773 20 0 JJADMO CN(C)c1nc(CNCCC2CC[NH+](Cc3ccccc3)CC2)c(Cl)n1-c1ccccc1 ZINC001462476065 1068081238 /nfs/dbraw/zinc/08/12/38/1068081238.db2.gz WBUQGMXOYVMNQR-UHFFFAOYSA-N 1 1 452.046 4.984 20 0 JJADMO CCOC(=O)Cn1cc(C[N@@H+]2CC=C(c3ccc(Cl)cc3C)CC2)c(-c2cccnc2)n1 ZINC001462492047 1068084554 /nfs/dbraw/zinc/08/45/54/1068084554.db2.gz UOFOIZXHVYDHJM-UHFFFAOYSA-N 1 1 450.970 4.759 20 0 JJADMO Cn1cc(C[N@@H+](CCc2ccccc2)CCC(C)(C)C)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC001462533825 1068093181 /nfs/dbraw/zinc/09/31/81/1068093181.db2.gz LFMNNCKXZBHCTH-UHFFFAOYSA-N 1 1 458.606 4.697 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(Cc3sccc3NC(=O)OC(C)(C)C)C2)O1 ZINC001462538675 1068093945 /nfs/dbraw/zinc/09/39/45/1068093945.db2.gz ZBLIVUITMOUREA-CLOONOSVSA-N 1 1 457.640 4.961 20 0 JJADMO C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@H+](Cc3sccc3NC(=O)OC(C)(C)C)C2)O1 ZINC001462538675 1068093961 /nfs/dbraw/zinc/09/39/61/1068093961.db2.gz ZBLIVUITMOUREA-CLOONOSVSA-N 1 1 457.640 4.961 20 0 JJADMO C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@@H+](Cc3sccc3NC(=O)OC(C)(C)C)C2)O1 ZINC001462538675 1068093976 /nfs/dbraw/zinc/09/39/76/1068093976.db2.gz ZBLIVUITMOUREA-CLOONOSVSA-N 1 1 457.640 4.961 20 0 JJADMO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCCCCN1CCN(C(=O)OC(C)(C)C)CC1)CC3 ZINC001462565618 1068099647 /nfs/dbraw/zinc/09/96/47/1068099647.db2.gz NAMTWNBCRPTMAX-OAQYLSRUSA-N 1 1 454.659 4.646 20 0 JJADMO COc1nsc(C[NH+]2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)c1Cl ZINC001462620958 1068113727 /nfs/dbraw/zinc/11/37/27/1068113727.db2.gz XLLBFWHGLKOUBI-UHFFFAOYSA-N 1 1 452.020 4.864 20 0 JJADMO COC(=O)c1ccc(C[NH+]2CC(Cc3ccc(Br)cc3)C2)c(Br)c1 ZINC001462623098 1068115023 /nfs/dbraw/zinc/11/50/23/1068115023.db2.gz PXDSIQXKLVSKDF-UHFFFAOYSA-N 1 1 453.174 4.673 20 0 JJADMO CCCCS(=O)(=O)c1ccc(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCCCC2)cc1 ZINC001462623716 1068115777 /nfs/dbraw/zinc/11/57/77/1068115777.db2.gz IMYYJDHJBXBAJR-UHFFFAOYSA-N 1 1 456.652 4.825 20 0 JJADMO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC001462630220 1068117485 /nfs/dbraw/zinc/11/74/85/1068117485.db2.gz RETPZUIKPXVSII-CYBMUJFWSA-N 1 1 455.422 4.637 20 0 JJADMO COc1ccc(F)c(C[NH+]2CCC3(CC2)CN(C(=O)OC(C)(C)C)Cc2ccccc2O3)c1 ZINC001462689514 1068132080 /nfs/dbraw/zinc/13/20/80/1068132080.db2.gz RTZOPVRTUMJGGG-UHFFFAOYSA-N 1 1 456.558 4.999 20 0 JJADMO O=C(NCC[C@H]1CC[C@H](C(F)(F)F)O1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001462691363 1068132915 /nfs/dbraw/zinc/13/29/15/1068132915.db2.gz UMKDXAUOTZCGNC-ANTGDGSKSA-N 1 1 452.542 4.580 20 0 JJADMO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)ccc1NC(=O)CC(C)C ZINC001462768668 1068161236 /nfs/dbraw/zinc/16/12/36/1068161236.db2.gz FRPOWBXLACBPBV-IFMALSPDSA-N 1 1 461.528 4.772 20 0 JJADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)ccc1NC(=O)CC(C)C ZINC001462768668 1068161240 /nfs/dbraw/zinc/16/12/40/1068161240.db2.gz FRPOWBXLACBPBV-IFMALSPDSA-N 1 1 461.528 4.772 20 0 JJADMO O=C(CCCOc1cccc(Br)c1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001462828097 1068180275 /nfs/dbraw/zinc/18/02/75/1068180275.db2.gz AZOQNUSHKMDYKO-RTWAWAEBSA-N 1 1 457.412 4.589 20 0 JJADMO O=C(CCSc1ccccc1Br)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001462830205 1068181497 /nfs/dbraw/zinc/18/14/97/1068181497.db2.gz KQVMUWUUUBBYAT-UXHICEINSA-N 1 1 459.453 4.912 20 0 JJADMO CCN([C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC001462899354 1068208096 /nfs/dbraw/zinc/20/80/96/1068208096.db2.gz XHQBJWUMXCIDAX-SIKLNZKXSA-N 1 1 457.640 4.517 20 0 JJADMO Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N1CC[N@@H+](C)C[C@H]1CC(C)C ZINC001462996536 1068243125 /nfs/dbraw/zinc/24/31/25/1068243125.db2.gz DUDUYCTWKDQXKC-MRXNPFEDSA-N 1 1 451.995 4.904 20 0 JJADMO Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N1CC[N@H+](C)C[C@H]1CC(C)C ZINC001462996536 1068243132 /nfs/dbraw/zinc/24/31/32/1068243132.db2.gz DUDUYCTWKDQXKC-MRXNPFEDSA-N 1 1 451.995 4.904 20 0 JJADMO C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1cc(Cl)cc2c1OCC2 ZINC001463003790 1068246417 /nfs/dbraw/zinc/24/64/17/1068246417.db2.gz VRSVOLLEQRQZCG-IVZQSRNASA-N 1 1 452.904 4.907 20 0 JJADMO C[N@H+](Cc1ccccc1)CC1CCN(S(=O)(=O)c2ccc(SC(F)(F)F)cc2)CC1 ZINC001463005607 1068247425 /nfs/dbraw/zinc/24/74/25/1068247425.db2.gz FNYIXLVKJSJOBN-UHFFFAOYSA-N 1 1 458.571 4.831 20 0 JJADMO CC(C)(C)OC(=O)N[C@H]1C[C@@](C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)(c2ccccc2)C1 ZINC001463063754 1068272360 /nfs/dbraw/zinc/27/23/60/1068272360.db2.gz SLWZCCCAMLUWCO-WVPZODRTSA-N 1 1 450.583 4.636 20 0 JJADMO COc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC001463124756 1068295661 /nfs/dbraw/zinc/29/56/61/1068295661.db2.gz LKHRKBOGNMSJDR-UHFFFAOYSA-N 1 1 456.608 4.696 20 0 JJADMO COc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC001463124756 1068295668 /nfs/dbraw/zinc/29/56/68/1068295668.db2.gz LKHRKBOGNMSJDR-UHFFFAOYSA-N 1 1 456.608 4.696 20 0 JJADMO C[C@@]1(NC(=O)c2cncc(Br)c2)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001463146615 1068302751 /nfs/dbraw/zinc/30/27/51/1068302751.db2.gz GBLHVSBLODTJQA-LADGPHEKSA-N 1 1 450.380 4.632 20 0 JJADMO Cc1nn(C(F)F)c(C)c1CC(=O)N[C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001463151204 1068304284 /nfs/dbraw/zinc/30/42/84/1068304284.db2.gz UXXMLIMLQOSSIC-JYFHCDHNSA-N 1 1 452.549 4.612 20 0 JJADMO COc1ccc(/C=C\C(=O)N[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1OC ZINC001463150895 1068304355 /nfs/dbraw/zinc/30/43/55/1068304355.db2.gz RXEQWPADWOQTCP-LTJHWNRFSA-N 1 1 456.586 4.892 20 0 JJADMO CC(C)[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)c1cnn(C)c1 ZINC001463190855 1068314934 /nfs/dbraw/zinc/31/49/34/1068314934.db2.gz INFWQQGZLNCDSA-ISJGIBHGSA-N 1 1 451.014 4.803 20 0 JJADMO CCC(CC)(CNS(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(C)cc1)SC ZINC001463201488 1068318709 /nfs/dbraw/zinc/31/87/09/1068318709.db2.gz CSUVOAXNUUMWSE-BJKOFHAPSA-N 1 1 460.709 4.804 20 0 JJADMO Cc1cc(S(=O)(=O)NCc2ccccc2OCCC[N@H+](C)C2CCCC2)sc1Cl ZINC001463218738 1068324225 /nfs/dbraw/zinc/32/42/25/1068324225.db2.gz JNXQHIKKVWVSGB-UHFFFAOYSA-N 1 1 457.061 4.832 20 0 JJADMO Cc1cc(Br)ccc1CS(=O)(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001463295998 1068348648 /nfs/dbraw/zinc/34/86/48/1068348648.db2.gz KPUDFUVQXKNAPN-SFHVURJKSA-N 1 1 457.478 4.564 20 0 JJADMO CC(=O)Nc1ccc(S[C@@H](C)C(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001463345191 1068364284 /nfs/dbraw/zinc/36/42/84/1068364284.db2.gz VJJQMQKUHYJYTM-ASLXYRGWSA-N 1 1 451.636 4.543 20 0 JJADMO CC(=O)Nc1ccc(S[C@@H](C)C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001463345211 1068365295 /nfs/dbraw/zinc/36/52/95/1068365295.db2.gz VJJQMQKUHYJYTM-STCFVSJZSA-N 1 1 451.636 4.543 20 0 JJADMO COc1ccc(C(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(OCCOC(C)C)c1 ZINC001463347642 1068366112 /nfs/dbraw/zinc/36/61/12/1068366112.db2.gz ZXTUIETUYCWFGP-SGNDLWITSA-N 1 1 466.622 4.530 20 0 JJADMO C[NH+](C)[C@H](C(=O)NCCSc1ncc(C(F)(F)F)cc1Cl)c1cccc(Cl)c1 ZINC001463380109 1068378262 /nfs/dbraw/zinc/37/82/62/1068378262.db2.gz KHZPIQXCLXICSF-HNNXBMFYSA-N 1 1 452.329 4.918 20 0 JJADMO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccsc2NC(=O)c2ccccc2Cl)CC1 ZINC001463589821 1068458927 /nfs/dbraw/zinc/45/89/27/1068458927.db2.gz DIQYPQYGUINPBE-UHFFFAOYSA-N 1 1 453.995 4.920 20 0 JJADMO COc1cc(C)c(S(=O)(=O)N2CC[N@@H+](CCCc3ccccc3)C[C@H]2CC(C)C)cc1C ZINC001463756740 1068514124 /nfs/dbraw/zinc/51/41/24/1068514124.db2.gz UXBJPOUBUJHVJC-XMMPIXPASA-N 1 1 458.668 4.666 20 0 JJADMO Cc1cccc(CN(C)S(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)c1C ZINC001463770084 1068518914 /nfs/dbraw/zinc/51/89/14/1068518914.db2.gz ZGUFYMPKQVCKMW-RRPNLBNLSA-N 1 1 466.622 4.872 20 0 JJADMO CCOC1(C)CCN(S(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001463794093 1068526320 /nfs/dbraw/zinc/52/63/20/1068526320.db2.gz UHHLHTHWBJDMMO-BJKOFHAPSA-N 1 1 477.070 4.529 20 0 JJADMO CC(C)Cc1ccc([C@H](CNS(=O)(=O)c2c3ncsc3ccc2Cl)[NH+](C)C)cc1 ZINC001463824036 1068536246 /nfs/dbraw/zinc/53/62/46/1068536246.db2.gz ODSJOLPVBURODB-SFHVURJKSA-N 1 1 452.045 4.729 20 0 JJADMO CC(C)c1nc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)nn1-c1cccc(F)c1 ZINC001463825424 1068537150 /nfs/dbraw/zinc/53/71/50/1068537150.db2.gz GBAWMCUGNDEHPL-OAQYLSRUSA-N 1 1 455.965 4.750 20 0 JJADMO CC(C)(CNS(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1)C1=CCCC1 ZINC001463827854 1068539408 /nfs/dbraw/zinc/53/94/08/1068539408.db2.gz MBCGDDVQOVOPTK-LOSJGSFVSA-N 1 1 456.627 4.850 20 0 JJADMO CC[C@@H](CNS(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(C)cc1)CC(F)(F)F ZINC001463894152 1068557706 /nfs/dbraw/zinc/55/77/06/1068557706.db2.gz NBGGDZATVJBXOR-WTIAFYNJSA-N 1 1 468.585 4.861 20 0 JJADMO Cc1nc(S(=O)(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)c(-c2ccccc2)s1 ZINC001463998436 1068584399 /nfs/dbraw/zinc/58/43/99/1068584399.db2.gz DSXYHDAWAXTTMN-GBESFXJTSA-N 1 1 455.649 4.791 20 0 JJADMO Cc1nc(S(=O)(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)c(-c2ccccc2)s1 ZINC001463998436 1068584414 /nfs/dbraw/zinc/58/44/14/1068584414.db2.gz DSXYHDAWAXTTMN-GBESFXJTSA-N 1 1 455.649 4.791 20 0 JJADMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)CCCc1ccc(C(F)(F)F)cc1 ZINC001464011216 1068588138 /nfs/dbraw/zinc/58/81/38/1068588138.db2.gz QUUUMWICJYFDTE-IRLDBZIGSA-N 1 1 452.542 4.584 20 0 JJADMO CCOc1ccc(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C(C)C)C2)c2ccccc12 ZINC001464085972 1068609193 /nfs/dbraw/zinc/60/91/93/1068609193.db2.gz CCAYZTBEVLZWPA-DEOSSOPVSA-N 1 1 452.620 4.770 20 0 JJADMO CCOc1ccc(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C(C)C)C2)c2ccccc12 ZINC001464085972 1068609199 /nfs/dbraw/zinc/60/91/99/1068609199.db2.gz CCAYZTBEVLZWPA-DEOSSOPVSA-N 1 1 452.620 4.770 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3ccc(OC(F)(F)F)c(Cl)c3)cc2)C[C@H](C)O1 ZINC001464124009 1068623720 /nfs/dbraw/zinc/62/37/20/1068623720.db2.gz UZIHZAVFKGTLPH-GASCZTMLSA-N 1 1 456.892 4.778 20 0 JJADMO CN(C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001464133838 1068628690 /nfs/dbraw/zinc/62/86/90/1068628690.db2.gz FZBDLHZTOANCJK-UHFFFAOYSA-N 1 1 451.611 4.790 20 0 JJADMO CCN1CC[NH+](Cc2ccc(NC(=O)c3cnn(-c4ccc(Cl)cc4Cl)c3)cc2)CC1 ZINC001464134731 1068629489 /nfs/dbraw/zinc/62/94/89/1068629489.db2.gz ZWPLGNGCEYFFIA-UHFFFAOYSA-N 1 1 458.393 4.569 20 0 JJADMO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC001464152630 1068635101 /nfs/dbraw/zinc/63/51/01/1068635101.db2.gz HUAIZHCIWGRRDL-DLBZAZTESA-N 1 1 450.549 4.714 20 0 JJADMO CCc1nc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)nn1-c1ccccc1Cl ZINC001464154519 1068635829 /nfs/dbraw/zinc/63/58/29/1068635829.db2.gz PCKAEIUFYGKZDD-GOSISDBHSA-N 1 1 452.002 4.645 20 0 JJADMO CCc1nc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)nn1-c1ccccc1Cl ZINC001464154520 1068635834 /nfs/dbraw/zinc/63/58/34/1068635834.db2.gz PCKAEIUFYGKZDD-SFHVURJKSA-N 1 1 452.002 4.645 20 0 JJADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001464157980 1068637050 /nfs/dbraw/zinc/63/70/50/1068637050.db2.gz NXFCNKISYHMKRT-CUNXSJBXSA-N 1 1 455.602 4.849 20 0 JJADMO CC(C)(NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1ccc(Br)cc1 ZINC001464166839 1068640907 /nfs/dbraw/zinc/64/09/07/1068640907.db2.gz ZSJMKQJKDIQIQD-IBGZPJMESA-N 1 1 451.355 4.958 20 0 JJADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cnnn2-c2c(Cl)cccc2Cl)cc1 ZINC001464179648 1068644866 /nfs/dbraw/zinc/64/48/66/1068644866.db2.gz ZCSVXGHZRARXSM-INIZCTEOSA-N 1 1 458.393 4.879 20 0 JJADMO C[C@@H](CNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)[N@H+]1CCCC[C@H]1C ZINC001464199752 1068653639 /nfs/dbraw/zinc/65/36/39/1068653639.db2.gz OYMAXNOCZQQSMW-MOPGFXCFSA-N 1 1 455.002 4.648 20 0 JJADMO C[C@@H]1[C@H](C(=O)NC[C@@H](c2ccc(Cl)c(Cl)c2)N2CCc3sccc3C2)CC[N@H+]1C ZINC001464205888 1068656624 /nfs/dbraw/zinc/65/66/24/1068656624.db2.gz JENIMUKCMCHGGH-ZTQAJYAQSA-N 1 1 452.451 4.611 20 0 JJADMO CC(C)[C@H](C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001464211727 1068659914 /nfs/dbraw/zinc/65/99/14/1068659914.db2.gz ODGXKCCWVGUMLI-WHLIWEHUSA-N 1 1 459.675 4.966 20 0 JJADMO Cc1ccc(S(=O)(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)cc1C(F)(F)F ZINC001464221260 1068663119 /nfs/dbraw/zinc/66/31/19/1068663119.db2.gz XVSVCSILZBGXRI-KRWDZBQOSA-N 1 1 455.329 4.902 20 0 JJADMO CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)c2)n1 ZINC001464243612 1068673371 /nfs/dbraw/zinc/67/33/71/1068673371.db2.gz XRTHGQVMOBBMBC-OAQYLSRUSA-N 1 1 452.505 4.508 20 0 JJADMO Cc1nc(NC(=O)[C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)sc1Cc1ccccc1Cl ZINC001464322113 1068705191 /nfs/dbraw/zinc/70/51/91/1068705191.db2.gz XHVLOHAWACZZJC-XMMPIXPASA-N 1 1 456.011 4.661 20 0 JJADMO COCc1nc(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c(-c2ccccc2)s1 ZINC001464331309 1068708955 /nfs/dbraw/zinc/70/89/55/1068708955.db2.gz UERPZCNXXDMOFB-UHFFFAOYSA-N 1 1 457.546 4.629 20 0 JJADMO CC(C)(C)n1ncc(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1-c1ccccc1 ZINC001464332866 1068709746 /nfs/dbraw/zinc/70/97/46/1068709746.db2.gz XXMDGDNKBZVZGB-UHFFFAOYSA-N 1 1 452.549 4.978 20 0 JJADMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC001464412791 1068737224 /nfs/dbraw/zinc/73/72/24/1068737224.db2.gz GWEAGVMPNPKCBF-CMCWBKRRSA-N 1 1 456.030 4.684 20 0 JJADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)c3cc4cc(Br)ccc4s3)c2)CCO1 ZINC001464415259 1068738049 /nfs/dbraw/zinc/73/80/49/1068738049.db2.gz ALCDEFMIDNTGEC-OAHLLOKOSA-N 1 1 459.409 4.815 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)c3cc4cc(Br)ccc4s3)c2)CCO1 ZINC001464415259 1068738059 /nfs/dbraw/zinc/73/80/59/1068738059.db2.gz ALCDEFMIDNTGEC-OAHLLOKOSA-N 1 1 459.409 4.815 20 0 JJADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3ncoc3-c3cccc(C(F)(F)F)c3)c2)CCO1 ZINC001464420923 1068739915 /nfs/dbraw/zinc/73/99/15/1068739915.db2.gz KOXQKDPDXZJOLE-INIZCTEOSA-N 1 1 459.468 4.511 20 0 JJADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ncoc3-c3cccc(C(F)(F)F)c3)c2)CCO1 ZINC001464420923 1068739926 /nfs/dbraw/zinc/73/99/26/1068739926.db2.gz KOXQKDPDXZJOLE-INIZCTEOSA-N 1 1 459.468 4.511 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNS(=O)(=O)Cc2cc(-c3ccccc3)no2)CCCCC1 ZINC001464437002 1068745007 /nfs/dbraw/zinc/74/50/07/1068745007.db2.gz GRMNTRAQHVHJPM-UHFFFAOYSA-N 1 1 453.608 4.596 20 0 JJADMO Cc1nc(C[NH+]2CCC(C(=O)NC3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cs1 ZINC001464451980 1068751193 /nfs/dbraw/zinc/75/11/93/1068751193.db2.gz MBHAMQFXJJZBAY-UHFFFAOYSA-N 1 1 454.684 4.746 20 0 JJADMO Cc1cc(Cl)ccc1OCCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001464460300 1068754349 /nfs/dbraw/zinc/75/43/49/1068754349.db2.gz HIWPDASVKPMZHZ-FGZHOGPDSA-N 1 1 470.038 4.906 20 0 JJADMO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001464472773 1068759352 /nfs/dbraw/zinc/75/93/52/1068759352.db2.gz OLUJNFLBVKUYSP-QUCCMNQESA-N 1 1 455.027 4.878 20 0 JJADMO C[N@@H+](CCNC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)C1CCCCC1 ZINC001464497289 1068766856 /nfs/dbraw/zinc/76/68/56/1068766856.db2.gz HOYRRFJAEDIOMB-UHFFFAOYSA-N 1 1 456.427 4.563 20 0 JJADMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C[C@H](C)O1 ZINC001464503404 1068767439 /nfs/dbraw/zinc/76/74/39/1068767439.db2.gz NRCDCPGKBHEONB-BBWFWOEESA-N 1 1 452.473 4.559 20 0 JJADMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C[C@H](C)O1 ZINC001464503404 1068767449 /nfs/dbraw/zinc/76/74/49/1068767449.db2.gz NRCDCPGKBHEONB-BBWFWOEESA-N 1 1 452.473 4.559 20 0 JJADMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C[C@@H](C)O1 ZINC001464503432 1068768133 /nfs/dbraw/zinc/76/81/33/1068768133.db2.gz NRCDCPGKBHEONB-ZACQAIPSSA-N 1 1 452.473 4.559 20 0 JJADMO Cc1ccc(-c2cc(C(=O)N(CC[NH+](C)C)Cc3ccc(Br)cc3)n[nH]2)cc1C ZINC001464636981 1068806954 /nfs/dbraw/zinc/80/69/54/1068806954.db2.gz LAYDVTUFAFBHIE-UHFFFAOYSA-N 1 1 455.400 4.660 20 0 JJADMO O=C(c1cc(OC(F)F)cc(OC(F)F)c1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC001464662162 1068816196 /nfs/dbraw/zinc/81/61/96/1068816196.db2.gz CBHZYFSBVLQZRY-UHFFFAOYSA-N 1 1 454.464 4.670 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)C1CCCCC1 ZINC001464667844 1068817779 /nfs/dbraw/zinc/81/77/79/1068817779.db2.gz OPXTUHLOKPPYOV-DEOSSOPVSA-N 1 1 457.659 4.627 20 0 JJADMO C[N@H+](CCc1ccccc1)CC(=O)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 ZINC001464715149 1068836377 /nfs/dbraw/zinc/83/63/77/1068836377.db2.gz FCKCDAXTMSMOFW-UHFFFAOYSA-N 1 1 456.468 4.809 20 0 JJADMO C[N@@H+](CCc1ccccc1)CC(=O)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 ZINC001464715149 1068836392 /nfs/dbraw/zinc/83/63/92/1068836392.db2.gz FCKCDAXTMSMOFW-UHFFFAOYSA-N 1 1 456.468 4.809 20 0 JJADMO FC1(F)CO[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5cccs5)c43)C[C@@H]21 ZINC001164426310 718929519 /nfs/dbraw/zinc/92/95/19/718929519.db2.gz ZNYYWCVEFIIOJB-HOTGVXAUSA-N 1 1 462.591 4.876 20 0 JJADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](c4ccccc4)C(=O)N3CCOC)CC2)nc1 ZINC001164430693 718954789 /nfs/dbraw/zinc/95/47/89/718954789.db2.gz WGOKIACMLSLICQ-FTJBHMTQSA-N 1 1 476.665 4.630 20 0 JJADMO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629869 719102073 /nfs/dbraw/zinc/10/20/73/719102073.db2.gz TZAOTUQRXUFJQE-QUCCMNQESA-N 1 1 455.940 4.838 20 0 JJADMO CN(C)C(=O)CO[C@@H]1CCC2(CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC2)c2ccccc21 ZINC001164630201 719140053 /nfs/dbraw/zinc/14/00/53/719140053.db2.gz GSQJLJUPKMMANE-XMMPIXPASA-N 1 1 497.083 4.809 20 0 JJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)CC2 ZINC001164649569 719309017 /nfs/dbraw/zinc/30/90/17/719309017.db2.gz UQUPZVHRYBRRCB-UHFFFAOYSA-N 1 1 469.367 4.883 20 0 JJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncnc3scc(-c4ccc(F)cc4)c31)CC2 ZINC001164650453 719314719 /nfs/dbraw/zinc/31/47/19/719314719.db2.gz DTUNBSYASZSFTL-UHFFFAOYSA-N 1 1 450.587 4.899 20 0 JJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)CC2 ZINC001164655271 719318330 /nfs/dbraw/zinc/31/83/30/719318330.db2.gz VRMGXQBAKXLVCB-UHFFFAOYSA-N 1 1 451.993 4.951 20 0 JJADMO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1[nH+]cnc3c1ccn3C(C)C)CC2 ZINC001164660767 719352906 /nfs/dbraw/zinc/35/29/06/719352906.db2.gz YXBMEZHXNOEKOW-UHFFFAOYSA-N 1 1 455.610 4.707 20 0 JJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3nc(C(=O)N(CC)CC)sc3CC2)nc1 ZINC001164663382 719359793 /nfs/dbraw/zinc/35/97/93/719359793.db2.gz DMLXHWRJAIJGAJ-NRFANRHFSA-N 1 1 455.672 4.562 20 0 JJADMO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)nc4ccc(Cl)cc42)CC3)cc1 ZINC001164669363 719493089 /nfs/dbraw/zinc/49/30/89/719493089.db2.gz TYDQOOIGAQPPRL-UHFFFAOYSA-N 1 1 461.368 4.947 20 0 JJADMO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)nc4ccc(Cl)cc42)CC3)cc1 ZINC001164669363 719493090 /nfs/dbraw/zinc/49/30/90/719493090.db2.gz TYDQOOIGAQPPRL-UHFFFAOYSA-N 1 1 461.368 4.947 20 0 JJADMO Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)cc1 ZINC001164671579 719512002 /nfs/dbraw/zinc/51/20/02/719512002.db2.gz GFZRGZRDFABFIE-UHFFFAOYSA-N 1 1 489.570 4.629 20 0 JJADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nnc(-c3ccc(Cl)c(Cl)c3)c3ccccc31)CC2 ZINC001164690057 719746951 /nfs/dbraw/zinc/74/69/51/719746951.db2.gz ROAIXHHYQSMNPS-UHFFFAOYSA-N 1 1 484.431 4.784 20 0 JJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncccc2C(=O)NC2CCCCC2)CC3)cs1 ZINC001164694479 719804629 /nfs/dbraw/zinc/80/46/29/719804629.db2.gz YYWUPKOWIYFVPE-UHFFFAOYSA-N 1 1 453.656 4.544 20 0 JJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(C(=O)NC(C)(C)C)cc(Cl)n2)CC3)cs1 ZINC001164692918 719809706 /nfs/dbraw/zinc/80/97/06/719809706.db2.gz NSYMJTIYYFFHNG-UHFFFAOYSA-N 1 1 462.063 4.663 20 0 JJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncccc2C(=O)N2CCc4ccccc42)CC3)cs1 ZINC001164692767 719812978 /nfs/dbraw/zinc/81/29/78/719812978.db2.gz RSPMFJLATNMOLX-UHFFFAOYSA-N 1 1 473.646 4.684 20 0 JJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc(C(=O)N4CCCCC4)cc2Cl)CC3)cs1 ZINC001164692019 719814048 /nfs/dbraw/zinc/81/40/48/719814048.db2.gz KQHOTWPYXLGMCS-UHFFFAOYSA-N 1 1 474.074 4.761 20 0 JJADMO Cn1cc([C@H]2COC3(C2)CCN(c2nc(C[NH+](C)C)nc4scc(-c5ccccc5)c42)CC3)cn1 ZINC001164700055 719826547 /nfs/dbraw/zinc/82/65/47/719826547.db2.gz ZVDCFKXBDBGQFA-HXUWFJFHSA-N 1 1 488.661 4.697 20 0 JJADMO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164694929 719889130 /nfs/dbraw/zinc/88/91/30/719889130.db2.gz HMZLKFDERVZFTN-UHFFFAOYSA-N 1 1 464.969 4.761 20 0 JJADMO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164695322 719890514 /nfs/dbraw/zinc/89/05/14/719890514.db2.gz NRSXCNOEZMSXFJ-UHFFFAOYSA-N 1 1 464.969 4.761 20 0 JJADMO Clc1ncc(OCc2ccccc2)c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164697524 719892754 /nfs/dbraw/zinc/89/27/54/719892754.db2.gz KRACRFDYNPZTCS-UHFFFAOYSA-N 1 1 471.026 4.642 20 0 JJADMO Fc1cccc(Cn2ccc3c2ncnc3N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164699059 719893410 /nfs/dbraw/zinc/89/34/10/719893410.db2.gz WNJKBLVRNMQISO-UHFFFAOYSA-N 1 1 477.609 4.552 20 0 JJADMO FC(F)(c1nc2ccccc2nc1Cl)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164699263 719895318 /nfs/dbraw/zinc/89/53/18/719895318.db2.gz YKTMQCMYPGSYPC-UHFFFAOYSA-N 1 1 464.969 4.761 20 0 JJADMO Clc1nnc(Cl)c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1N1CCCCC1 ZINC001164707119 719908870 /nfs/dbraw/zinc/90/88/70/719908870.db2.gz NTBFUHAVJMXADV-UHFFFAOYSA-N 1 1 482.481 4.707 20 0 JJADMO FC(F)(N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2)C1(c2ccc(Cl)nc2)CC1 ZINC001164705531 719909798 /nfs/dbraw/zinc/90/97/98/719909798.db2.gz CXVSZLYPJQZBOZ-UHFFFAOYSA-N 1 1 453.986 4.788 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccc(OC)cc3)nc3ccc(F)cc31)C2 ZINC001164809759 720094513 /nfs/dbraw/zinc/09/45/13/720094513.db2.gz JYKNMLMYRRDXDZ-PIKZIKFNSA-N 1 1 476.596 4.629 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc3nc(Cl)cnc3cc1Cl)CC2 ZINC001164714130 720113994 /nfs/dbraw/zinc/11/39/94/720113994.db2.gz ADPRMCFQHDNVMM-SFHVURJKSA-N 1 1 472.420 4.839 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(Cl)c(Cl)n1)CC2 ZINC001164719093 720118069 /nfs/dbraw/zinc/11/80/69/720118069.db2.gz VWIOKJRYPNXMPH-QGZVFWFLSA-N 1 1 471.379 4.836 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nnc1-c1ccccc1)CC2 ZINC001164715473 720118738 /nfs/dbraw/zinc/11/87/38/720118738.db2.gz FZXQWOZPEOUCPY-JOCHJYFZSA-N 1 1 464.013 4.700 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(F)cc3ccc(Cl)nc31)CC2 ZINC001164716041 720119357 /nfs/dbraw/zinc/11/93/57/720119357.db2.gz IRCMCOINFIWKSC-OAQYLSRUSA-N 1 1 454.977 4.930 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)C2 ZINC001164809720 720125752 /nfs/dbraw/zinc/12/57/52/720125752.db2.gz IMTXQHHBRXLCIC-KKSFZXQISA-N 1 1 471.379 4.666 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc3cnc(Cl)nc3c1)CC2 ZINC001164717367 720127303 /nfs/dbraw/zinc/12/73/03/720127303.db2.gz NRTGQYNHOJPCAD-OAQYLSRUSA-N 1 1 487.982 4.731 20 0 JJADMO CCCCOc1cnc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)c(Cl)c1 ZINC001164713037 720135103 /nfs/dbraw/zinc/13/51/03/720135103.db2.gz PEWDSMBUHOQLTB-NRFANRHFSA-N 1 1 459.034 4.816 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)C2 ZINC001164808229 720137691 /nfs/dbraw/zinc/13/76/91/720137691.db2.gz FAMNTRXKZNJBGR-WMZHIEFXSA-N 1 1 462.972 4.527 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)C2 ZINC001164808231 720138464 /nfs/dbraw/zinc/13/84/64/720138464.db2.gz FAMNTRXKZNJBGR-XXBNENTESA-N 1 1 462.972 4.527 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3cc(C)ccc3C)nn1)CC2 ZINC001164710462 720144898 /nfs/dbraw/zinc/14/48/98/720144898.db2.gz BQCHNOCIXKXVTP-DEOSSOPVSA-N 1 1 457.622 4.663 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(F)ccc1-c1ccc(Cl)nn1)CC2 ZINC001164714035 720148418 /nfs/dbraw/zinc/14/84/18/720148418.db2.gz VMVVWYYGSJWOFK-NRFANRHFSA-N 1 1 482.003 4.839 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc3cc(F)c(Cl)cc31)CC2 ZINC001164714772 720152826 /nfs/dbraw/zinc/15/28/26/720152826.db2.gz YRRNBBSOWOYTJJ-HXUWFJFHSA-N 1 1 454.977 4.930 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cnc(Cl)nc1Oc1ccccc1)CC2 ZINC001164715103 720154556 /nfs/dbraw/zinc/15/45/56/720154556.db2.gz SSCYUGDLVXTLCX-NRFANRHFSA-N 1 1 480.012 4.825 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)Oc1ccc(Cl)nc1Cl)CC2 ZINC001164714841 720154635 /nfs/dbraw/zinc/15/46/35/720154635.db2.gz ZUKPLHLNSKAQEN-KRWDZBQOSA-N 1 1 487.378 4.716 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cnc(Cl)nc1Oc1ccccc1F)CC2 ZINC001164710823 720155181 /nfs/dbraw/zinc/15/51/81/720155181.db2.gz DHJVBOXIBYNPKP-HXUWFJFHSA-N 1 1 498.002 4.964 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1c(Cl)ccc3c(Cl)ncnc31)CC2 ZINC001164711904 720156271 /nfs/dbraw/zinc/15/62/71/720156271.db2.gz DNAVWOZFKGWIPP-GOSISDBHSA-N 1 1 472.420 4.839 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)CC2 ZINC001164711225 720157932 /nfs/dbraw/zinc/15/79/32/720157932.db2.gz ABXGHPXHSKLDPO-NRFANRHFSA-N 1 1 476.999 4.758 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3scc(-c4ccc(F)cc4)c31)C2 ZINC001164814258 720162804 /nfs/dbraw/zinc/16/28/04/720162804.db2.gz FIEBEFHKHPIDII-DFBJGRDBSA-N 1 1 452.599 4.682 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(CSC)nc3sc4c(c31)CCCC4)C2 ZINC001164818219 720170948 /nfs/dbraw/zinc/17/09/48/720170948.db2.gz SHIJFJXUMAFORW-BVZFJXPGSA-N 1 1 472.724 4.618 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)C2 ZINC001164817750 720173075 /nfs/dbraw/zinc/17/30/75/720173075.db2.gz QEAIQFYCTADJFH-KKSFZXQISA-N 1 1 469.001 4.588 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)C2 ZINC001164818725 720188969 /nfs/dbraw/zinc/18/89/69/720188969.db2.gz UIOMGTIVBNYJHB-REWPJTCUSA-N 1 1 462.972 4.527 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1ccccc1Cl)C2 ZINC001164810307 720197681 /nfs/dbraw/zinc/19/76/81/720197681.db2.gz BVSHKPYSXOQUCR-GAJHUEQPSA-N 1 1 463.409 4.760 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3cccc(C)c3)nnc1Cl)C2 ZINC001164814673 720204284 /nfs/dbraw/zinc/20/42/84/720204284.db2.gz WANOYKZHJLBOIF-HYBUGGRVSA-N 1 1 476.999 4.835 20 0 JJADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1c(Cl)nc(Cl)c(Cl)c1Cl)CCC2 ZINC001164813549 720217286 /nfs/dbraw/zinc/21/72/86/720217286.db2.gz ONAXZHLGDJIFPD-UHFFFAOYSA-N 1 1 465.212 4.502 20 0 JJADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3scc(-c4ccc(Cl)cc4)c31)CCC2 ZINC001164814506 720235883 /nfs/dbraw/zinc/23/58/83/720235883.db2.gz WATGPBJJFZZBNO-UHFFFAOYSA-N 1 1 495.052 4.819 20 0 JJADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC[C@@]5(CCN(CC6CC6)C5=O)C4)c23)C1 ZINC001164820291 720281051 /nfs/dbraw/zinc/28/10/51/720281051.db2.gz VKPGPFOFJZZYBF-WHLCRQNOSA-N 1 1 493.721 4.641 20 0 JJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@@]3(CCN(CC4CC4)C3=O)C2)n1 ZINC001164817255 720282561 /nfs/dbraw/zinc/28/25/61/720282561.db2.gz BSKJNYQNRCRJPW-HHHXNRCGSA-N 1 1 475.662 4.649 20 0 JJADMO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731042 720367163 /nfs/dbraw/zinc/36/71/63/720367163.db2.gz YISFAQBMZJHLSV-ZWKOTPCHSA-N 1 1 450.320 4.730 20 0 JJADMO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164731042 720367169 /nfs/dbraw/zinc/36/71/69/720367169.db2.gz YISFAQBMZJHLSV-ZWKOTPCHSA-N 1 1 450.320 4.730 20 0 JJADMO Cc1nc2c(cc(-c3nc(N4CC[C@H]5[C@H]4CC[N@H+]5Cc4cccnc4)ncc3F)cc2F)n1C(C)C ZINC001164730998 720384409 /nfs/dbraw/zinc/38/44/09/720384409.db2.gz XSHDXGOUZCBFCT-XZOQPEGZSA-N 1 1 489.574 4.909 20 0 JJADMO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730893 720409352 /nfs/dbraw/zinc/40/93/52/720409352.db2.gz JNSBFXXWLAAXPI-VXKWHMMOSA-N 1 1 480.971 4.966 20 0 JJADMO Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3c3nc(C[NH+](C)C)nc4scc(-c5ccccc5)c43)O2)n1 ZINC001164828737 720409395 /nfs/dbraw/zinc/40/93/95/720409395.db2.gz KRAFZYNMQQUPIJ-UFYCRDLUSA-N 1 1 476.606 4.610 20 0 JJADMO c1cncc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3c2nc(CN3CCCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164731520 720439500 /nfs/dbraw/zinc/43/95/00/720439500.db2.gz LKWVYERWTGUIKD-GOTSBHOMSA-N 1 1 488.705 4.804 20 0 JJADMO c1cncc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3c2nc(CN3CCCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164731522 720440440 /nfs/dbraw/zinc/44/04/40/720440440.db2.gz LKWVYERWTGUIKD-XZOQPEGZSA-N 1 1 488.705 4.804 20 0 JJADMO COC(=O)c1sc2nc(Cc3ccccc3)nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164730962 720442873 /nfs/dbraw/zinc/44/28/73/720442873.db2.gz KLGSXVRMXCUUMW-YADHBBJMSA-N 1 1 499.640 4.625 20 0 JJADMO Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164730557 720484882 /nfs/dbraw/zinc/48/48/82/720484882.db2.gz UDNVYGKVWVEBGU-FGZHOGPDSA-N 1 1 455.940 4.899 20 0 JJADMO Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164730557 720484900 /nfs/dbraw/zinc/48/49/00/720484900.db2.gz UDNVYGKVWVEBGU-FGZHOGPDSA-N 1 1 455.940 4.899 20 0 JJADMO Fc1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c(Cl)nn1 ZINC001164725308 720485027 /nfs/dbraw/zinc/48/50/27/720485027.db2.gz JLZQJFMQVWNLMR-RTWAWAEBSA-N 1 1 459.903 4.729 20 0 JJADMO Fc1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c(Cl)nn1 ZINC001164725308 720485028 /nfs/dbraw/zinc/48/50/28/720485028.db2.gz JLZQJFMQVWNLMR-RTWAWAEBSA-N 1 1 459.903 4.729 20 0 JJADMO Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164726391 720485413 /nfs/dbraw/zinc/48/54/13/720485413.db2.gz LUUGHQBYEQDOPV-FCHUYYIVSA-N 1 1 455.940 4.899 20 0 JJADMO Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164726391 720485415 /nfs/dbraw/zinc/48/54/15/720485415.db2.gz LUUGHQBYEQDOPV-FCHUYYIVSA-N 1 1 455.940 4.899 20 0 JJADMO Fc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164725274 720486490 /nfs/dbraw/zinc/48/64/90/720486490.db2.gz JCRKUNUDLWOTGG-SFTDATJTSA-N 1 1 459.903 4.729 20 0 JJADMO Fc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164725274 720486491 /nfs/dbraw/zinc/48/64/91/720486491.db2.gz JCRKUNUDLWOTGG-SFTDATJTSA-N 1 1 459.903 4.729 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164832387 720523945 /nfs/dbraw/zinc/52/39/45/720523945.db2.gz ANUBNUWFASSRLL-IEIRFRATSA-N 1 1 486.998 4.916 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)CC[C@@H]21 ZINC001164832391 720524104 /nfs/dbraw/zinc/52/41/04/720524104.db2.gz ANUBNUWFASSRLL-RRPUWOKSSA-N 1 1 486.998 4.916 20 0 JJADMO CSc1ccc(Oc2cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)ncn2)cc1 ZINC001164835175 720582687 /nfs/dbraw/zinc/58/26/87/720582687.db2.gz AHHMWKRCVTUKHZ-MIZPHKNDSA-N 1 1 464.639 4.565 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(C(=O)Nc4cccc(Cl)c4)cn3)CC[C@@H]21 ZINC001164839260 720605147 /nfs/dbraw/zinc/60/51/47/720605147.db2.gz MYRAXUQKLLAXNR-OYDLWJJNSA-N 1 1 479.028 4.562 20 0 JJADMO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164843172 720605213 /nfs/dbraw/zinc/60/52/13/720605213.db2.gz XAYGBVJBVLGZBO-DNVJHFABSA-N 1 1 495.741 4.724 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(-c4ccsc4)nc4ccccc43)CC[C@@H]21 ZINC001164839763 720606910 /nfs/dbraw/zinc/60/69/10/720606910.db2.gz OLZPEDDAERCCLI-HFMPRLQTSA-N 1 1 458.635 4.933 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164844191 720610201 /nfs/dbraw/zinc/61/02/01/720610201.db2.gz ZTBOZWMEOZJPOM-ZRCGQRJVSA-N 1 1 486.998 4.916 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(F)ccc3-c3ccc(Cl)nn3)CC[C@@H]21 ZINC001164838841 720620169 /nfs/dbraw/zinc/62/01/69/720620169.db2.gz MAUREGJNADPLEH-LZNRXBQRSA-N 1 1 454.981 4.510 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(-c4ccc(Cl)nn4)ccc3F)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837731 720621043 /nfs/dbraw/zinc/62/10/43/720621043.db2.gz ISKUOSITHKREGK-CNNODRBYSA-N 1 1 454.981 4.510 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(-c4ccc(Cl)nn4)ccc3F)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837734 720621564 /nfs/dbraw/zinc/62/15/64/720621564.db2.gz ISKUOSITHKREGK-XQBPLPMBSA-N 1 1 454.981 4.510 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(-c4cccc5ccccc54)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839495 720623509 /nfs/dbraw/zinc/62/35/09/720623509.db2.gz NLOWOPKLOOIBRJ-QSEAXJEQSA-N 1 1 452.606 4.871 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc3c(Cl)nc(Cl)nc31)CC2 ZINC001164839755 720675347 /nfs/dbraw/zinc/67/53/47/720675347.db2.gz KBZFZAAYLLLZJM-OAHLLOKOSA-N 1 1 493.826 4.640 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3c1ccn3Cc1ccccc1)CC2 ZINC001164841278 720694202 /nfs/dbraw/zinc/69/42/02/720694202.db2.gz IRSBAWAFTCYUEA-RUZDIDTESA-N 1 1 467.617 4.740 20 0 JJADMO COc1cccc2nc(Cl)nc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c21 ZINC001164841046 720694960 /nfs/dbraw/zinc/69/49/60/720694960.db2.gz HFVHITMILWGLGF-IBGZPJMESA-N 1 1 452.986 4.552 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc3ccn(C(=O)c4ccccc4)c3n1)CC2 ZINC001164842342 720708799 /nfs/dbraw/zinc/70/87/99/720708799.db2.gz YNJAISORADPWSZ-AREMUKBSSA-N 1 1 480.612 4.985 20 0 JJADMO Cc1ccc(-c2nc3c(ncnc3N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)o2)cc1 ZINC001164840878 720714671 /nfs/dbraw/zinc/71/46/71/720714671.db2.gz RGFFDRKFIWFGDK-HSZRJFAPSA-N 1 1 469.589 4.853 20 0 JJADMO Cc1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(-c2ccc(Cl)nc2)n1 ZINC001164839634 720722819 /nfs/dbraw/zinc/72/28/19/720722819.db2.gz MFQUKONFPOIHKN-QFIPXVFZSA-N 1 1 464.013 4.760 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)COC(=O)Nc1ccc(Cl)nc1)CC2 ZINC001164840325 720727421 /nfs/dbraw/zinc/72/74/21/720727421.db2.gz PEEPJKMXYRACQP-HXUWFJFHSA-N 1 1 494.970 4.632 20 0 JJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3nc(C(=O)NCc4ccccc4)sc3CC2)nc1 ZINC001164844006 720747357 /nfs/dbraw/zinc/74/73/57/720747357.db2.gz NSBWBWOURHRFOW-HSZRJFAPSA-N 1 1 475.662 4.620 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4O[C@@H](COCc5ccccn5)CC[C@H]43)c2c1C ZINC001164846254 720777313 /nfs/dbraw/zinc/77/73/13/720777313.db2.gz IJCCEHOGGVYYFX-ZLNRFVROSA-N 1 1 493.677 4.642 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4O[C@H](COCc5ccccn5)CC[C@H]43)c2c1C ZINC001164846257 720777582 /nfs/dbraw/zinc/77/75/82/720777582.db2.gz IJCCEHOGGVYYFX-ZRBLBEILSA-N 1 1 493.677 4.642 20 0 JJADMO Clc1ccc(-c2nnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c3ccccc32)cc1Cl ZINC001164741747 720786368 /nfs/dbraw/zinc/78/63/68/720786368.db2.gz MWPVRWITQKHGKF-ZWKOTPCHSA-N 1 1 493.398 4.736 20 0 JJADMO Clc1nc(Cl)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1Cl ZINC001164739209 720820303 /nfs/dbraw/zinc/82/03/03/720820303.db2.gz HSGBENPVIYIOPZ-MGPQQGTHSA-N 1 1 476.239 4.666 20 0 JJADMO Clc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745141 720822036 /nfs/dbraw/zinc/82/20/36/720822036.db2.gz WPWFTVWSKLVHGO-YRISNDGFSA-N 1 1 457.409 4.513 20 0 JJADMO c1ncn(C[C@H]2C[C@H]3CN(c4ccc5cc(OCc6ccccc6)ccc5n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164741202 720834588 /nfs/dbraw/zinc/83/45/88/720834588.db2.gz DTEFHRBXWKLNNR-IWVFXYMLSA-N 1 1 494.643 4.785 20 0 JJADMO c1ncn(C[C@H]2C[C@@H]3CN(c4cc(-c5ccccc5)c5ccccc5n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164746553 720845857 /nfs/dbraw/zinc/84/58/57/720845857.db2.gz OLKGYZHPMKCIAN-PRVBGKCFSA-N 1 1 464.617 4.873 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c3ccccc32)cc1C ZINC001164747931 720846959 /nfs/dbraw/zinc/84/69/59/720846959.db2.gz RZIVOSKMZUQGLT-PNIUZAESSA-N 1 1 493.659 4.885 20 0 JJADMO Cc1sc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1-c1ccccc1 ZINC001164745169 720847646 /nfs/dbraw/zinc/84/76/46/720847646.db2.gz MEBDCWNVGAOVNK-YTFSRNRJSA-N 1 1 485.661 4.638 20 0 JJADMO Cc1nc2scc(-c3cccs3)c2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164744605 720847771 /nfs/dbraw/zinc/84/77/71/720847771.db2.gz KVBNGQOKNQTWGT-QKNQBKEWSA-N 1 1 491.690 4.699 20 0 JJADMO COc1ccc2c(c1)nc(N1CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C1)cc2-c1ccccc1 ZINC001164740526 720847946 /nfs/dbraw/zinc/84/79/46/720847946.db2.gz CFJSUEBFZFXEPT-UAABGXCFSA-N 1 1 494.643 4.881 20 0 JJADMO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)s1 ZINC001164740565 720850768 /nfs/dbraw/zinc/85/07/68/720850768.db2.gz CTOJXHHKDSTBHH-PQNGQFLHSA-N 1 1 485.661 4.638 20 0 JJADMO CC(C)c1cc2c(ncnc2N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)s1 ZINC001164754362 720869196 /nfs/dbraw/zinc/86/91/96/720869196.db2.gz RMKLMEOOXBIARB-AJTFRIOCSA-N 1 1 477.678 4.965 20 0 JJADMO Fc1c(Cl)nccc1C(F)(F)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752899 720872472 /nfs/dbraw/zinc/87/24/72/720872472.db2.gz NJMNZAIAMYYYSG-WMZHIEFXSA-N 1 1 480.962 4.569 20 0 JJADMO CSc1nc2sccc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754837 720874088 /nfs/dbraw/zinc/87/40/88/720874088.db2.gz TXHHRKBHZXESMF-CPJSRVTESA-N 1 1 481.691 4.563 20 0 JJADMO Clc1cc(-c2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2)ccn1 ZINC001164752460 720880151 /nfs/dbraw/zinc/88/01/51/720880151.db2.gz NBDZKCMYWDOFOY-LBNVMWSVSA-N 1 1 490.051 4.947 20 0 JJADMO c1ccc(-c2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2)cc1 ZINC001164748417 720880928 /nfs/dbraw/zinc/88/09/28/720880928.db2.gz DRCONFLDLLWKDM-XRKRLSELSA-N 1 1 454.618 4.899 20 0 JJADMO COCC[N@H+]1CCO[C@H]2CN(c3nnc(-c4ccc(Cl)c(Cl)c4)c4ccccc43)CC[C@H]2C1 ZINC001164863932 720882475 /nfs/dbraw/zinc/88/24/75/720882475.db2.gz UYOFKQAVFUDSKM-MBSDFSHPSA-N 1 1 487.431 4.777 20 0 JJADMO Cc1cccc2c1nc(Cl)nc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754431 720882981 /nfs/dbraw/zinc/88/29/81/720882981.db2.gz IWBTZJRZVZZSHZ-AJTFRIOCSA-N 1 1 478.040 4.742 20 0 JJADMO Fc1cccc2nc(Cl)nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164758826 720883511 /nfs/dbraw/zinc/88/35/11/720883511.db2.gz ZRHMTUJLRJBWNF-IBVKSMDESA-N 1 1 482.003 4.572 20 0 JJADMO CSc1cc(Cl)ncc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757504 720884719 /nfs/dbraw/zinc/88/47/19/720884719.db2.gz VIWLVPNFLKMKCD-HYBUGGRVSA-N 1 1 459.059 4.607 20 0 JJADMO Fc1cccc2c1nc(Cl)nc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758792 720886078 /nfs/dbraw/zinc/88/60/78/720886078.db2.gz ZMMBKYORSBJLKI-RXFWQSSRSA-N 1 1 482.003 4.572 20 0 JJADMO Fc1cc(C(F)(F)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cnc1Cl ZINC001164756824 720887031 /nfs/dbraw/zinc/88/70/31/720887031.db2.gz RFGNJTZADZSSRI-NZQKXSOJSA-N 1 1 480.962 4.569 20 0 JJADMO Cc1cc(Cl)ncc1C(F)(F)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757203 720890432 /nfs/dbraw/zinc/89/04/32/720890432.db2.gz UIUTWJIVLVYXIM-QPPBQGQZSA-N 1 1 476.999 4.738 20 0 JJADMO COc1ccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cc(C)c2c1 ZINC001164757176 720890568 /nfs/dbraw/zinc/89/05/68/720890568.db2.gz UCLRIZVQUXRIMI-GIGWZHCTSA-N 1 1 472.633 4.702 20 0 JJADMO Cc1nc2cc(Cl)ccc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753293 720891125 /nfs/dbraw/zinc/89/11/25/720891125.db2.gz GKAZGIYECRRPJG-AMGIVPHBSA-N 1 1 478.040 4.742 20 0 JJADMO Cc1cc(Cl)nc(C(F)(F)N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164749802 720894995 /nfs/dbraw/zinc/89/49/95/720894995.db2.gz AQRAJWDUGYPLKT-URXFXBBRSA-N 1 1 476.999 4.738 20 0 JJADMO Cc1cc(Cl)nc(C(F)(F)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164749806 720895131 /nfs/dbraw/zinc/89/51/31/720895131.db2.gz AQRAJWDUGYPLKT-XUZZJYLKSA-N 1 1 476.999 4.738 20 0 JJADMO Cc1c(Cl)cnc(Cl)c1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749496 720904112 /nfs/dbraw/zinc/90/41/12/720904112.db2.gz AFOYLAGHJSNUHA-YKSBVNFPSA-N 1 1 461.437 4.847 20 0 JJADMO Cc1c[nH]c2nc(Cl)cc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164754666 720907347 /nfs/dbraw/zinc/90/73/47/720907347.db2.gz WWCJPVUVIFFCKJ-RLWLMLJZSA-N 1 1 466.029 4.675 20 0 JJADMO Cc1ccc(-c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)cc1 ZINC001164746517 720908081 /nfs/dbraw/zinc/90/80/81/720908081.db2.gz BGZAYQOTFREOFB-GGXMVOPNSA-N 1 1 469.633 4.602 20 0 JJADMO FC(F)c1nc2ccccc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755181 720918833 /nfs/dbraw/zinc/91/88/33/720918833.db2.gz ZJGVTNCFWDPXGC-IDISGSTGSA-N 1 1 479.575 4.718 20 0 JJADMO Clc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(-c2ccccc2)n1 ZINC001164748086 720920663 /nfs/dbraw/zinc/92/06/63/720920663.db2.gz FUUCLUPMTJEEDV-RBJSKKJNSA-N 1 1 490.051 4.947 20 0 JJADMO Fc1cccc(F)c1-c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164753767 720921322 /nfs/dbraw/zinc/92/13/22/720921322.db2.gz SMMNCTFIPBUMJA-SKCUWOTOSA-N 1 1 491.586 4.572 20 0 JJADMO Cc1cc(-c2ccccc2F)nnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755172 720932481 /nfs/dbraw/zinc/93/24/81/720932481.db2.gz ZHOBSEUNZAJXPT-PWUYWRBVSA-N 1 1 487.623 4.741 20 0 JJADMO CSc1ccc2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164751325 720933115 /nfs/dbraw/zinc/93/31/15/720933115.db2.gz LIHPBWSWCQRLDF-WXVAWEFUSA-N 1 1 475.662 4.502 20 0 JJADMO COc1cc2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2cc1F ZINC001164749092 720934968 /nfs/dbraw/zinc/93/49/68/720934968.db2.gz HROGDUJBBKXPJQ-QDPGVEIFSA-N 1 1 476.596 4.533 20 0 JJADMO CC[C@H](C)c1nc2[nH]ccc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164749950 720939460 /nfs/dbraw/zinc/93/94/60/720939460.db2.gz IOJJOSJCTNTSEP-JMFZDZGDSA-N 1 1 474.653 4.622 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)[C@H]2C ZINC001164860641 720959107 /nfs/dbraw/zinc/95/91/07/720959107.db2.gz QPXPWHHSJAYMCC-ZDUSSCGKSA-N 1 1 452.912 4.585 20 0 JJADMO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c12 ZINC001164857146 721002848 /nfs/dbraw/zinc/00/28/48/721002848.db2.gz CNCAYEOCAGGRBL-NRFANRHFSA-N 1 1 457.626 4.714 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccccn3)c(-c3ccccn3)nc1Cl)[C@@H]2C ZINC001164864829 721020702 /nfs/dbraw/zinc/02/07/02/721020702.db2.gz ZUVGBAHWUCOAFY-GOSISDBHSA-N 1 1 489.027 4.872 20 0 JJADMO Cc1cccc(-c2cc(C(F)(F)N3CCc4[nH+]cc(Cn5cccn5)n4CC3)cnc2Cl)c1 ZINC001164864449 721034225 /nfs/dbraw/zinc/03/42/25/721034225.db2.gz ZPMHLXBNYSDZGZ-UHFFFAOYSA-N 1 1 468.939 4.759 20 0 JJADMO FC(F)(c1cnc(Cl)c(C2CCCCC2)c1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164862005 721034730 /nfs/dbraw/zinc/03/47/30/721034730.db2.gz JTNAHGYYWDYFAT-UHFFFAOYSA-N 1 1 460.960 4.832 20 0 JJADMO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)n1 ZINC001164773704 721055773 /nfs/dbraw/zinc/05/57/73/721055773.db2.gz SWAMVRUMEYXYHU-XZOQPEGZSA-N 1 1 498.656 4.503 20 0 JJADMO Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)n1 ZINC001164773694 721056065 /nfs/dbraw/zinc/05/60/65/721056065.db2.gz SWAMVRUMEYXYHU-GOTSBHOMSA-N 1 1 498.656 4.503 20 0 JJADMO Fc1ccc(-c2nc3ccc(Cl)cc3c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164867391 721068529 /nfs/dbraw/zinc/06/85/29/721068529.db2.gz IRIAXSLYVUMIRG-XZOQPEGZSA-N 1 1 489.982 4.964 20 0 JJADMO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866642 721078123 /nfs/dbraw/zinc/07/81/23/721078123.db2.gz UKFIPFWYPBJUTA-MSOLQXFVSA-N 1 1 479.358 4.961 20 0 JJADMO Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164865428 721090024 /nfs/dbraw/zinc/09/00/24/721090024.db2.gz LHAVSQPDGDGGOR-LOSJGSFVSA-N 1 1 499.018 4.734 20 0 JJADMO Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164865426 721090042 /nfs/dbraw/zinc/09/00/42/721090042.db2.gz LHAVSQPDGDGGOR-DQEYMECFSA-N 1 1 499.018 4.734 20 0 JJADMO Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164865427 721090813 /nfs/dbraw/zinc/09/08/13/721090813.db2.gz LHAVSQPDGDGGOR-JWQCQUIFSA-N 1 1 499.018 4.734 20 0 JJADMO Clc1ccc2c(c1)nc(-c1ccccc1)nc2N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864872 721105226 /nfs/dbraw/zinc/10/52/26/721105226.db2.gz GZTVSJMYJQKDIS-GOTSBHOMSA-N 1 1 471.992 4.825 20 0 JJADMO Cc1ccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)s1 ZINC001164871483 721158390 /nfs/dbraw/zinc/15/83/90/721158390.db2.gz DWVFHNFGHQGSHN-NHCUHLMSSA-N 1 1 457.603 4.541 20 0 JJADMO Cc1ccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)s1 ZINC001164871486 721159491 /nfs/dbraw/zinc/15/94/91/721159491.db2.gz DWVFHNFGHQGSHN-RTWAWAEBSA-N 1 1 457.603 4.541 20 0 JJADMO Fc1ccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)cnc2Cl)cc1 ZINC001164871078 721169441 /nfs/dbraw/zinc/16/94/41/721169441.db2.gz DIBUTTQHHTVRBF-FGZHOGPDSA-N 1 1 488.941 4.961 20 0 JJADMO Fc1ccccc1-c1cc(C(F)(F)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)cnc1Cl ZINC001164881003 721169894 /nfs/dbraw/zinc/16/98/94/721169894.db2.gz YTTRMDRGJSPZHU-PMACEKPBSA-N 1 1 488.941 4.961 20 0 JJADMO c1ccc(Oc2ccc(-c3ccc(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)nn3)cc2)cc1 ZINC001164881094 721172197 /nfs/dbraw/zinc/17/21/97/721172197.db2.gz ZAAVGBHCQKQJOO-SQHAQQRYSA-N 1 1 479.584 4.811 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc5ccc(Cl)cc5c(-c5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164764982 721195604 /nfs/dbraw/zinc/19/56/04/721195604.db2.gz HJYXHVHCABCTJV-LEWJYISDSA-N 1 1 458.997 4.642 20 0 JJADMO COc1ccc2c(c1)nc(N1C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C1)cc2-c1ccccc1 ZINC001164767569 721200257 /nfs/dbraw/zinc/20/02/57/721200257.db2.gz JZUHTFUJIYZFBZ-PKTZIBPZSA-N 1 1 453.590 4.602 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(F)cc5)c4)C[C@H]3C2)cn1 ZINC001164770800 721225563 /nfs/dbraw/zinc/22/55/63/721225563.db2.gz OMBPSBFESVQETO-RTBURBONSA-N 1 1 475.946 4.778 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4O[C@@H](COc5cccnc5)CC[C@@H]43)c2c1C ZINC001164875006 721250797 /nfs/dbraw/zinc/25/07/97/721250797.db2.gz LGVOSHWUWJVIMY-FSSWDIPSSA-N 1 1 479.650 4.504 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)nc1 ZINC001164875822 721259881 /nfs/dbraw/zinc/25/98/81/721259881.db2.gz MKRIWIWWHWFPFB-HFASVGIHSA-N 1 1 476.665 4.967 20 0 JJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)nc1 ZINC001164879784 721260098 /nfs/dbraw/zinc/26/00/98/721260098.db2.gz YXPVPXKZOPTIBC-SKVJQKLOSA-N 1 1 462.638 4.577 20 0 JJADMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1nc3cc(Cl)c(Cl)cc3nc1Cl)CC2 ZINC001164873685 721325788 /nfs/dbraw/zinc/32/57/88/721325788.db2.gz ADIADDVNYUTABR-UHFFFAOYSA-N 1 1 464.731 4.769 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CCN(C(=O)c4cscn4)C3)CC2)n1 ZINC001164876739 721328993 /nfs/dbraw/zinc/32/89/93/721328993.db2.gz PTQAZCWTIQWPGD-UHFFFAOYSA-N 1 1 498.722 4.739 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(Cl)nc3Cl)C2)C1 ZINC001164776562 721334107 /nfs/dbraw/zinc/33/41/07/721334107.db2.gz GKPCRBVHEHNUKE-HXUWFJFHSA-N 1 1 475.367 4.657 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(Cl)nc3Cl)C2)C1 ZINC001164776562 721334110 /nfs/dbraw/zinc/33/41/10/721334110.db2.gz GKPCRBVHEHNUKE-HXUWFJFHSA-N 1 1 475.367 4.657 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c(Cl)cccc43)C2)C1 ZINC001164777697 721347261 /nfs/dbraw/zinc/34/72/61/721347261.db2.gz HOJWUIVNCRXNRF-QHCPKHFHSA-N 1 1 476.408 4.660 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c(Cl)cccc43)C2)C1 ZINC001164777694 721347440 /nfs/dbraw/zinc/34/74/40/721347440.db2.gz HOJWUIVNCRXNRF-HSZRJFAPSA-N 1 1 476.408 4.660 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4cnc(Cl)nc4c3)C2)C1 ZINC001164786124 721356632 /nfs/dbraw/zinc/35/66/32/721356632.db2.gz WJBRLENRBMDMJQ-QHCPKHFHSA-N 1 1 491.970 4.552 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4cnc(Cl)nc4c3)C2)C1 ZINC001164786124 721356633 /nfs/dbraw/zinc/35/66/33/721356633.db2.gz WJBRLENRBMDMJQ-QHCPKHFHSA-N 1 1 491.970 4.552 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4[C@@H]3CC(=O)N4c3ccsc3)c2c1C ZINC001164885837 721357975 /nfs/dbraw/zinc/35/79/75/721357975.db2.gz ZVVOOLCJKKGQST-MOPGFXCFSA-N 1 1 467.664 4.740 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@H]2CC(=O)N3c2ccsc2)n1 ZINC001164885273 721358772 /nfs/dbraw/zinc/35/87/72/721358772.db2.gz XRJRLZCRBVNBCK-QZTJIDSGSA-N 1 1 455.653 4.596 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc4ccc(C)cc43)C2)C1 ZINC001164780758 721359683 /nfs/dbraw/zinc/35/96/83/721359683.db2.gz HCCGEVWGPZALAU-VWLOTQADSA-N 1 1 455.002 4.920 20 0 JJADMO Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3[nH+]c(N4CCCC4)cc4ccccc43)C2)C1 ZINC001164786021 721368634 /nfs/dbraw/zinc/36/86/34/721368634.db2.gz UMCJUOOZCCMZSY-MUUNZHRXSA-N 1 1 475.637 4.559 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(F)ccc3-c3ccc(Cl)nn3)C2)C1 ZINC001164786144 721369550 /nfs/dbraw/zinc/36/95/50/721369550.db2.gz WOAYYJYMQXHVCZ-RUZDIDTESA-N 1 1 485.991 4.660 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nnc(Cl)c4ccc(Cl)cc43)C2)C1 ZINC001164785204 721370732 /nfs/dbraw/zinc/37/07/32/721370732.db2.gz SJKFDGONGKNRCF-QHCPKHFHSA-N 1 1 476.408 4.660 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C(F)F)nc4ccc(Cl)cc43)C2)C1 ZINC001164786055 721371903 /nfs/dbraw/zinc/37/19/03/721371903.db2.gz VFDRMMQZLLQNTC-DEOSSOPVSA-N 1 1 491.970 4.945 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(C4CCCCC4)n3)C2)C1 ZINC001164782547 721375117 /nfs/dbraw/zinc/37/51/17/721375117.db2.gz MELRUMLBHKKLGX-VWLOTQADSA-N 1 1 474.049 4.902 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(C4CCCCC4)n3)C2)C1 ZINC001164782547 721375119 /nfs/dbraw/zinc/37/51/19/721375119.db2.gz MELRUMLBHKKLGX-VWLOTQADSA-N 1 1 474.049 4.902 20 0 JJADMO c1ccc(C[N@H+]2CCc3nc(N4CCO[C@]5(CCC[C@H]5COCc5ccncc5)C4)ccc3C2)cc1 ZINC001164780355 721383701 /nfs/dbraw/zinc/38/37/01/721383701.db2.gz GKNHROBAIZHETE-BHBYDHKZSA-N 1 1 484.644 4.627 20 0 JJADMO c1ccc(C[N@H+]2CCc3nc(N4CCO[C@@]5(CCC[C@@H]5COCc5ccncc5)C4)ccc3C2)cc1 ZINC001164780357 721383938 /nfs/dbraw/zinc/38/39/38/721383938.db2.gz GKNHROBAIZHETE-OFSOJUDTSA-N 1 1 484.644 4.627 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(-c5ccccc5)cc(-c5ccccc5)n4)C3)O2)CC1 ZINC001164886792 721398365 /nfs/dbraw/zinc/39/83/65/721398365.db2.gz GIBPXZDIGQBJBJ-VIZCGCQYSA-N 1 1 483.660 4.576 20 0 JJADMO Cc1ccc2nc(-c3ccccc3F)nc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2c1 ZINC001164890533 721419868 /nfs/dbraw/zinc/41/98/68/721419868.db2.gz SZCZRXQPTNONJE-MNNSJKJDSA-N 1 1 489.639 4.510 20 0 JJADMO FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164783357 721431535 /nfs/dbraw/zinc/43/15/35/721431535.db2.gz IKNQVLQDJOLTFK-QZTJIDSGSA-N 1 1 476.980 4.884 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(-c5ccccc5)c5ccccc5n4)C3)O2)CC1 ZINC001164899164 721432188 /nfs/dbraw/zinc/43/21/88/721432188.db2.gz YAAZWXULUYYXPW-GIGWZHCTSA-N 1 1 456.634 4.667 20 0 JJADMO c1csc(C[N@H+]2C[C@H]3CN(c4ccc(-c5ccc(Oc6ccccc6)cc5)nn4)C[C@H]3C2)n1 ZINC001164781228 721433593 /nfs/dbraw/zinc/43/35/93/721433593.db2.gz CNKVQYFGIDUZAX-OYRHEFFESA-N 1 1 455.587 4.961 20 0 JJADMO c1csc(C[N@@H+]2C[C@H]3CN(c4ccc(-c5ccc(Oc6ccccc6)cc5)nn4)C[C@H]3C2)n1 ZINC001164781228 721433594 /nfs/dbraw/zinc/43/35/94/721433594.db2.gz CNKVQYFGIDUZAX-OYRHEFFESA-N 1 1 455.587 4.961 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncnc5cc(-c6ccc(Cl)cc6)sc54)C3)O2)CC1 ZINC001164896854 721434703 /nfs/dbraw/zinc/43/47/03/721434703.db2.gz SFYZLHSYWGXBAA-RLWLMLJZSA-N 1 1 498.096 4.777 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3sc(C(C)C)cc31)CC2 ZINC001164788726 721448356 /nfs/dbraw/zinc/44/83/56/721448356.db2.gz TUNYEWGNAODHMG-FQEVSTJZSA-N 1 1 458.672 4.549 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)nc(Cl)c1)CC2 ZINC001164785991 721451589 /nfs/dbraw/zinc/45/15/89/721451589.db2.gz LFKYOALFQRFBMD-SFHVURJKSA-N 1 1 478.411 4.667 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1ccc3ncc(Cl)nc3c1)CC2 ZINC001164789408 721453884 /nfs/dbraw/zinc/45/38/84/721453884.db2.gz VNTVMTQKOJZELY-FQEVSTJZSA-N 1 1 495.014 4.562 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)nc3ccsc31)CC2 ZINC001164785297 721456104 /nfs/dbraw/zinc/45/61/04/721456104.db2.gz IIJVSCATFHWQHF-GOSISDBHSA-N 1 1 450.048 4.684 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3ccc(Cl)cc3nc1Cl)CC2 ZINC001164786901 721457436 /nfs/dbraw/zinc/45/74/36/721457436.db2.gz OPMCBBRFFKMXPS-LJQANCHMSA-N 1 1 479.452 4.671 20 0 JJADMO CC(C)C(=O)N1CC[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CC[C@@H](C)C5)CC[C@@H]21 ZINC001164887618 721465423 /nfs/dbraw/zinc/46/54/23/721465423.db2.gz CYGIMMVWWQMWQP-SJBKTWHCSA-N 1 1 495.737 4.885 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(-c3cccc(Cl)c3)ncn1)CC2 ZINC001164788774 721467962 /nfs/dbraw/zinc/46/79/62/721467962.db2.gz KHINXWTYUARURE-HSZRJFAPSA-N 1 1 471.045 4.531 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(-c3cccc(Cl)c3)ncn1)CC2 ZINC001164788775 721468153 /nfs/dbraw/zinc/46/81/53/721468153.db2.gz KHINXWTYUARURE-QHCPKHFHSA-N 1 1 471.045 4.531 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(-c3ccc(Cl)nn3)ccc1F)CC2 ZINC001164787487 721469167 /nfs/dbraw/zinc/46/91/67/721469167.db2.gz GCKQMZYFRFSJEE-OAQYLSRUSA-N 1 1 489.035 4.670 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(SCc3ccccc3)ncn1)CC2 ZINC001164786267 721469799 /nfs/dbraw/zinc/46/97/99/721469799.db2.gz AEGHSIRRZSJALZ-XMMPIXPASA-N 1 1 482.694 4.503 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc3cc(F)c(Cl)cc31)CC2 ZINC001164788740 721470949 /nfs/dbraw/zinc/47/09/49/721470949.db2.gz JGRZOUAKBCISAE-HXUWFJFHSA-N 1 1 462.009 4.761 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1c(Cl)ccc3c(Cl)ncnc31)CC2 ZINC001164791255 721474123 /nfs/dbraw/zinc/47/41/23/721474123.db2.gz WCWVTUZOAYPBJG-SFHVURJKSA-N 1 1 479.452 4.671 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)CC2 ZINC001164787958 721474153 /nfs/dbraw/zinc/47/41/53/721474153.db2.gz GSFFSIQAPGWNGU-OAQYLSRUSA-N 1 1 484.031 4.891 20 0 JJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(C(=O)N3CCCCC3)cc(Cl)n1)CC2 ZINC001164793113 721491889 /nfs/dbraw/zinc/49/18/89/721491889.db2.gz NYLYXPRPOBBCIZ-UHFFFAOYSA-N 1 1 468.045 4.637 20 0 JJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3c1ccn3Cc1cccc(F)c1)CC2 ZINC001164792271 721496817 /nfs/dbraw/zinc/49/68/17/721496817.db2.gz MNPGCYIRPBCSLM-UHFFFAOYSA-N 1 1 470.596 4.895 20 0 JJADMO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164795908 721498655 /nfs/dbraw/zinc/49/86/55/721498655.db2.gz MRYMSCHOTCKIAP-UHFFFAOYSA-N 1 1 495.668 4.634 20 0 JJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)COC(=O)Nc1cccnc1Cl)CC2 ZINC001164794486 721503045 /nfs/dbraw/zinc/50/30/45/721503045.db2.gz ABHMQVRRUSMAIY-UHFFFAOYSA-N 1 1 479.959 4.648 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4cccs4)c32)[C@@H]2CCCO[C@H]12 ZINC001164807170 721540786 /nfs/dbraw/zinc/54/07/86/721540786.db2.gz PWGDOIAASNJTGR-KNKQGSTJSA-N 1 1 463.632 4.683 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4cccs4)c32)[C@@H]2CCCO[C@H]12 ZINC001164807170 721540790 /nfs/dbraw/zinc/54/07/90/721540790.db2.gz PWGDOIAASNJTGR-KNKQGSTJSA-N 1 1 463.632 4.683 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(-c3cc(Cl)ncn3)cc2)[C@@H]2CCCO[C@H]12 ZINC001164799860 721542264 /nfs/dbraw/zinc/54/22/64/721542264.db2.gz BJYIQTSKOLVULN-AKFKNWHVSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(-c3cc(Cl)ncn3)cc2)[C@@H]2CCCO[C@H]12 ZINC001164799860 721542266 /nfs/dbraw/zinc/54/22/66/721542266.db2.gz BJYIQTSKOLVULN-AKFKNWHVSA-N 1 1 485.966 4.605 20 0 JJADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4ccc(-c5ccc(C6OCCCO6)cc5)cn4)CC[N@H+]3C2)c1 ZINC001164911932 721547399 /nfs/dbraw/zinc/54/73/99/721547399.db2.gz XORSCQCUODHQEA-AHWVRZQESA-N 1 1 475.564 4.665 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ccnc(Cl)c3c2)[C@@H]2CCCO[C@H]12 ZINC001164804453 721548154 /nfs/dbraw/zinc/54/81/54/721548154.db2.gz JRGZZKHHJAEUDZ-VSKRKVRLSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ccnc(Cl)c3c2)[C@@H]2CCCO[C@H]12 ZINC001164804453 721548156 /nfs/dbraw/zinc/54/81/56/721548156.db2.gz JRGZZKHHJAEUDZ-VSKRKVRLSA-N 1 1 458.940 4.696 20 0 JJADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc(F)ccc4Oc4ccc(Cl)nn4)CC[N@H+]3C2)c1 ZINC001164906583 721553304 /nfs/dbraw/zinc/55/33/04/721553304.db2.gz KDFXYNJRRHPSJX-IEBWSBKVSA-N 1 1 458.896 4.542 20 0 JJADMO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccnc5)c4)CC[N@H+]3C2)c1 ZINC001164910229 721561866 /nfs/dbraw/zinc/56/18/66/721561866.db2.gz WBHRVMZMWQTPHQ-PZJWPPBQSA-N 1 1 474.914 4.823 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(OCc3ccccc3)cc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164801171 721571959 /nfs/dbraw/zinc/57/19/59/721571959.db2.gz GJQBIIOKPPQPMG-SDHSZQHLSA-N 1 1 464.997 4.577 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccc(F)cc3)nc3ccccc32)[C@@H]2CCCO[C@H]21 ZINC001164810790 721577954 /nfs/dbraw/zinc/57/79/54/721577954.db2.gz WEIVLNVKZTZMKV-TWJOJJKGSA-N 1 1 469.564 4.699 20 0 JJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3cnn(CC4CCOCC4)c3[C@@H]2COCC)nc1 ZINC001164902193 721579020 /nfs/dbraw/zinc/57/90/20/721579020.db2.gz CHIVIIRJFHJNFE-UIOOFZCWSA-N 1 1 481.685 4.782 20 0 JJADMO Cc1sc2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2c1-c1ccccc1 ZINC001164808067 721579014 /nfs/dbraw/zinc/57/90/14/721579014.db2.gz PTUOSKRPUMXUEW-OTNCWRBYSA-N 1 1 471.630 4.930 20 0 JJADMO Cc1sc2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2c1-c1ccccc1 ZINC001164808067 721579015 /nfs/dbraw/zinc/57/90/15/721579015.db2.gz PTUOSKRPUMXUEW-OTNCWRBYSA-N 1 1 471.630 4.930 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(-c3ccccc3)nnc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164810756 721580114 /nfs/dbraw/zinc/58/01/14/721580114.db2.gz WBNXHVPKUCCPMS-ZLNRFVROSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(-c3ccccc3)nnc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164810756 721580116 /nfs/dbraw/zinc/58/01/16/721580116.db2.gz WBNXHVPKUCCPMS-ZLNRFVROSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc(-c3ccc(Cl)nn3)c2)[C@H]2CCCO[C@H]12 ZINC001164799279 721584159 /nfs/dbraw/zinc/58/41/59/721584159.db2.gz AJASNGZFYZYVFH-ZDXQCDESSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc(-c3ccc(Cl)nn3)c2)[C@H]2CCCO[C@H]12 ZINC001164799279 721584163 /nfs/dbraw/zinc/58/41/63/721584163.db2.gz AJASNGZFYZYVFH-ZDXQCDESSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3cccc4ccccc43)nn2)[C@H]2CCCO[C@@H]12 ZINC001164804341 721584235 /nfs/dbraw/zinc/58/42/35/721584235.db2.gz JMUPEPWWLAJXRL-ZRRKCSAHSA-N 1 1 451.574 4.560 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3cccc4ccccc43)nn2)[C@H]2CCCO[C@@H]12 ZINC001164804341 721584238 /nfs/dbraw/zinc/58/42/38/721584238.db2.gz JMUPEPWWLAJXRL-ZRRKCSAHSA-N 1 1 451.574 4.560 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3cccc4ccccc43)nn2)[C@@H]2CCCO[C@H]12 ZINC001164804333 721584660 /nfs/dbraw/zinc/58/46/60/721584660.db2.gz JMUPEPWWLAJXRL-GTNKKZTPSA-N 1 1 451.574 4.560 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3cccc4ccccc43)nn2)[C@@H]2CCCO[C@H]12 ZINC001164804333 721584663 /nfs/dbraw/zinc/58/46/63/721584663.db2.gz JMUPEPWWLAJXRL-GTNKKZTPSA-N 1 1 451.574 4.560 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3c(ccnc3Cl)c2)[C@@H]2CCCO[C@@H]12 ZINC001164808234 721585463 /nfs/dbraw/zinc/58/54/63/721585463.db2.gz QBYVVEGGOICOAJ-YPAWHYETSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3c(ccnc3Cl)c2)[C@@H]2CCCO[C@@H]12 ZINC001164808234 721585465 /nfs/dbraw/zinc/58/54/65/721585465.db2.gz QBYVVEGGOICOAJ-YPAWHYETSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccc(Cl)s3)nc3c2CCC3)[C@@H]2CCCO[C@@H]12 ZINC001164804133 721585833 /nfs/dbraw/zinc/58/58/33/721585833.db2.gz IXPVHWBNIXLIRU-TXTKFYIRSA-N 1 1 482.053 4.610 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)[C@H]2CCCO[C@@H]12 ZINC001164806282 721586619 /nfs/dbraw/zinc/58/66/19/721586619.db2.gz MTWYSLJPYBWZKJ-YTFSRNRJSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)[C@H]2CCCO[C@@H]12 ZINC001164806282 721586621 /nfs/dbraw/zinc/58/66/21/721586621.db2.gz MTWYSLJPYBWZKJ-YTFSRNRJSA-N 1 1 485.966 4.605 20 0 JJADMO Cc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164802607 721588066 /nfs/dbraw/zinc/58/80/66/721588066.db2.gz HBENBHQIVDRIJJ-KKUQBAQOSA-N 1 1 478.040 4.601 20 0 JJADMO Cc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164802607 721588067 /nfs/dbraw/zinc/58/80/67/721588067.db2.gz HBENBHQIVDRIJJ-KKUQBAQOSA-N 1 1 478.040 4.601 20 0 JJADMO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164810095 721589201 /nfs/dbraw/zinc/58/92/01/721589201.db2.gz UJGKVFZOMJJNGE-JTAQYXEDSA-N 1 1 458.940 4.738 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccccc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164808905 721589573 /nfs/dbraw/zinc/58/95/73/721589573.db2.gz ROCIHFSYCCHAMY-CZTZKLFOSA-N 1 1 486.403 4.839 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccccc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164808905 721589575 /nfs/dbraw/zinc/58/95/75/721589575.db2.gz ROCIHFSYCCHAMY-CZTZKLFOSA-N 1 1 486.403 4.839 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccco3)c2)[C@H]2CCCO[C@@H]12 ZINC001164806826 721591617 /nfs/dbraw/zinc/59/16/17/721591617.db2.gz NBSQAEDVMCUGHQ-TUNNFDKTSA-N 1 1 474.939 4.803 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccco3)c2)[C@H]2CCCO[C@@H]12 ZINC001164806826 721591620 /nfs/dbraw/zinc/59/16/20/721591620.db2.gz NBSQAEDVMCUGHQ-TUNNFDKTSA-N 1 1 474.939 4.803 20 0 JJADMO FC1(F)CCN(c2cc(Cl)nc(Cc3ccccc3)n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906652 721699710 /nfs/dbraw/zinc/69/97/10/721699710.db2.gz NZFJKTKIPWRDSM-XMMPIXPASA-N 1 1 469.967 4.854 20 0 JJADMO CCOc1cc2ncnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2cc1OCC ZINC001164908132 721705249 /nfs/dbraw/zinc/70/52/49/721705249.db2.gz VWQXHTYAVYYGKS-RUZDIDTESA-N 1 1 483.563 4.560 20 0 JJADMO FC1(F)CCN(c2nc(Cl)ncc2OCc2ccccc2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907839 721707454 /nfs/dbraw/zinc/70/74/54/721707454.db2.gz UNGIBBGIDSCIEZ-DEOSSOPVSA-N 1 1 485.966 4.842 20 0 JJADMO FC(F)(c1nc2ccccc2nc1Cl)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908781 721712271 /nfs/dbraw/zinc/71/22/71/721712271.db2.gz ZCGLNZSKGNJZQF-OAQYLSRUSA-N 1 1 479.909 4.961 20 0 JJADMO CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908595 721712666 /nfs/dbraw/zinc/71/26/66/721712666.db2.gz YGVSTFSDSAIGHY-HSZRJFAPSA-N 1 1 478.971 4.823 20 0 JJADMO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906199 721717310 /nfs/dbraw/zinc/71/73/10/721717310.db2.gz KWVCERMXNPTIEQ-OAQYLSRUSA-N 1 1 495.908 4.841 20 0 JJADMO FC1(F)CCN(c2ccc(-c3cccc(Cl)c3)nn2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164911779 721723986 /nfs/dbraw/zinc/72/39/86/721723986.db2.gz KJDGOONLDKCUKI-HSZRJFAPSA-N 1 1 455.940 4.930 20 0 JJADMO Cc1ccc(-c2nc3c(ncnc3N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)o2)cc1 ZINC001164909765 721725799 /nfs/dbraw/zinc/72/57/99/721725799.db2.gz DMSVPDHVRZBXHP-RUZDIDTESA-N 1 1 476.531 4.726 20 0 JJADMO CC(C)C(=O)N1CCC[C@]12CCN(c1nc(C[NH+](C)C)nc3scc(-c4ccccc4)c31)C2 ZINC001165009507 721727380 /nfs/dbraw/zinc/72/73/80/721727380.db2.gz YDCRXOHJWIOZME-AREMUKBSSA-N 1 1 463.651 4.647 20 0 JJADMO Cc1cc(-c2ccccc2F)nnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164913834 721734391 /nfs/dbraw/zinc/73/43/91/721734391.db2.gz YSZAZDFNDWUKMU-DEOSSOPVSA-N 1 1 453.512 4.724 20 0 JJADMO FC1(F)CCN(c2cncc(OCc3cccc(Cl)c3)n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164910568 721734865 /nfs/dbraw/zinc/73/48/65/721734865.db2.gz GITXLEUHHVPWRZ-XMMPIXPASA-N 1 1 485.966 4.842 20 0 JJADMO FC(F)(N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164913722 721738704 /nfs/dbraw/zinc/73/87/04/721738704.db2.gz XBDXNTGSXQEZMH-FQEVSTJZSA-N 1 1 468.926 4.988 20 0 JJADMO O=C1N(c2cccnc2)CC[C@@]12CN(c1nc(Cl)ccc1C[NH+]1CCCC1)C[C@@H]2c1ccccc1 ZINC001164912191 721741410 /nfs/dbraw/zinc/74/14/10/721741410.db2.gz MLYWCIVSTXSIGP-YWEHKCAJSA-N 1 1 488.035 4.753 20 0 JJADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164910175 721753723 /nfs/dbraw/zinc/75/37/23/721753723.db2.gz PIPYQLMRKPFVAE-UHFFFAOYSA-N 1 1 491.979 4.643 20 0 JJADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164910175 721753726 /nfs/dbraw/zinc/75/37/26/721753726.db2.gz PIPYQLMRKPFVAE-UHFFFAOYSA-N 1 1 491.979 4.643 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)C2 ZINC001164909581 721757840 /nfs/dbraw/zinc/75/78/40/721757840.db2.gz IQPUOIINILYGMS-UHFFFAOYSA-N 1 1 480.931 4.639 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)C2 ZINC001164909581 721757845 /nfs/dbraw/zinc/75/78/45/721757845.db2.gz IQPUOIINILYGMS-UHFFFAOYSA-N 1 1 480.931 4.639 20 0 JJADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCc5ncnc(C6CC6)c5CC4)c23)C1 ZINC001164914802 721804061 /nfs/dbraw/zinc/80/40/61/721804061.db2.gz GPURTBBGJHSZOI-QGZVFWFLSA-N 1 1 474.678 4.685 20 0 JJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCc3ncnc(C4CC4)c3CC2)n1 ZINC001164917651 721804250 /nfs/dbraw/zinc/80/42/50/721804250.db2.gz WOXZACLBURFHQQ-UHFFFAOYSA-N 1 1 456.619 4.693 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c(Cl)nc(Cl)nc43)C[C@@H]21 ZINC001165019559 721806013 /nfs/dbraw/zinc/80/60/13/721806013.db2.gz DCIGXMZHEWCPBX-AEGPPILISA-N 1 1 478.815 4.512 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c(Cl)nc(Cl)nc43)C[C@H]21 ZINC001165019562 721806104 /nfs/dbraw/zinc/80/61/04/721806104.db2.gz DCIGXMZHEWCPBX-BPLDGKMQSA-N 1 1 478.815 4.512 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)C[C@@H]21 ZINC001165027229 721807083 /nfs/dbraw/zinc/80/70/83/721807083.db2.gz UOAIHIPZTUHPDE-RZPFDVGOSA-N 1 1 489.067 4.778 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3ccc4ncnc(Cl)c4c3)C[C@H]21 ZINC001165024542 721808404 /nfs/dbraw/zinc/80/84/04/721808404.db2.gz LUVBEFCGACJCKG-SAWYMBPVSA-N 1 1 457.956 4.960 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccc4ncnc(Cl)c4c3)C[C@@H]21 ZINC001165024539 721808560 /nfs/dbraw/zinc/80/85/60/721808560.db2.gz LUVBEFCGACJCKG-QGCDCVKKSA-N 1 1 457.956 4.960 20 0 JJADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165026856 721810691 /nfs/dbraw/zinc/81/06/91/721810691.db2.gz RTWJNIDWHMDGJN-RBDMOPTHSA-N 1 1 480.012 4.592 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)nc1 ZINC001164915494 721811521 /nfs/dbraw/zinc/81/15/21/721811521.db2.gz BDPBZWMYDIQSEI-ILSIFQBBSA-N 1 1 456.656 4.676 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ncc3OCc3ccccc3)C[C@@H]21 ZINC001165026800 721813740 /nfs/dbraw/zinc/81/37/40/721813740.db2.gz RFZAWXFWZDMAGZ-ACIOBRDBSA-N 1 1 464.013 4.841 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc(Oc4ccc(F)cc4)n3)C[C@@H]21 ZINC001165022764 721817118 /nfs/dbraw/zinc/81/71/18/721817118.db2.gz HDBZWQYGIMMYJQ-TYCQWZJGSA-N 1 1 468.964 4.588 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4ccn(C(=O)c5ccccc5)c4n3)C[C@H]21 ZINC001165030149 721821091 /nfs/dbraw/zinc/82/10/91/721821091.db2.gz YBKUSONOENEDNK-LGPLSSKUSA-N 1 1 465.601 4.857 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(-c4cccnc4)n3)C[C@H]21 ZINC001165020677 721822583 /nfs/dbraw/zinc/82/25/83/721822583.db2.gz DDUZCDNBPWYKHU-HMXCVIKNSA-N 1 1 484.982 4.869 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)C[C@@H]21 ZINC001165026769 721826315 /nfs/dbraw/zinc/82/63/15/721826315.db2.gz QCYDLXUVWRGMDS-SLYNCCJLSA-N 1 1 484.982 4.869 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(C(=O)OC(C)(C)C)cc3Cl)C[C@@H]21 ZINC001165022258 721829685 /nfs/dbraw/zinc/82/96/85/721829685.db2.gz GVCCNCBUQPCALS-RBDMOPTHSA-N 1 1 457.018 4.822 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)C[C@@H]21 ZINC001165027823 721832579 /nfs/dbraw/zinc/83/25/79/721832579.db2.gz UCZFXGINUQKXLY-BHYGNILZSA-N 1 1 479.000 4.503 20 0 JJADMO Clc1ncc2c(c1N1CCN(C3CCCC3)CC1)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001165032627 721859212 /nfs/dbraw/zinc/85/92/12/721859212.db2.gz VBJXOPYJAUFIDF-UHFFFAOYSA-N 1 1 467.057 4.821 20 0 JJADMO COc1cc(Oc2ccnc(N3CC[C@H]4[C@@H]3CC[N@@H+]4CCN(C)C)c2)ccc1OCc1ccccc1 ZINC001164925966 721874402 /nfs/dbraw/zinc/87/44/02/721874402.db2.gz PHVZCFDGWSSWRJ-UIOOFZCWSA-N 1 1 488.632 4.676 20 0 JJADMO COc1cc(Oc2ccnc(N3CC[C@H]4[C@@H]3CC[N@H+]4CCN(C)C)c2)ccc1OCc1ccccc1 ZINC001164925966 721874404 /nfs/dbraw/zinc/87/44/04/721874404.db2.gz PHVZCFDGWSSWRJ-UIOOFZCWSA-N 1 1 488.632 4.676 20 0 JJADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(-c2cccnc2)nc2scc(-c3ccccc3)c21 ZINC001164933570 721878957 /nfs/dbraw/zinc/87/89/57/721878957.db2.gz MYMLUDMBTJBXPQ-PKTZIBPZSA-N 1 1 470.646 4.635 20 0 JJADMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(-c2cccnc2)nc2scc(-c3ccccc3)c21 ZINC001164933570 721878959 /nfs/dbraw/zinc/87/89/59/721878959.db2.gz MYMLUDMBTJBXPQ-PKTZIBPZSA-N 1 1 470.646 4.635 20 0 JJADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(-c2cccnc2)nc2scc(-c3ccccc3)c21 ZINC001164933566 721879045 /nfs/dbraw/zinc/87/90/45/721879045.db2.gz MYMLUDMBTJBXPQ-DHIUTWEWSA-N 1 1 470.646 4.635 20 0 JJADMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(-c2cccnc2)nc2scc(-c3ccccc3)c21 ZINC001164933566 721879046 /nfs/dbraw/zinc/87/90/46/721879046.db2.gz MYMLUDMBTJBXPQ-DHIUTWEWSA-N 1 1 470.646 4.635 20 0 JJADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(CSc2ccccc2)nc2sc3c(c21)CCC3 ZINC001164934412 721879345 /nfs/dbraw/zinc/87/93/45/721879345.db2.gz RLNLGODVTXKLMM-SFTDATJTSA-N 1 1 479.719 4.687 20 0 JJADMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(CSc2ccccc2)nc2sc3c(c21)CCC3 ZINC001164934412 721879347 /nfs/dbraw/zinc/87/93/47/721879347.db2.gz RLNLGODVTXKLMM-SFTDATJTSA-N 1 1 479.719 4.687 20 0 JJADMO Cc1ccc(-c2csc3nc(-c4ccncc4)nc(N4CC[C@@H]5[C@H]4CC[N@@H+]5CCN(C)C)c23)cc1 ZINC001164935058 721880275 /nfs/dbraw/zinc/88/02/75/721880275.db2.gz VERRTMCQHVIRBY-DNQXCXABSA-N 1 1 484.673 4.943 20 0 JJADMO Cc1ccc(-c2csc3nc(-c4ccncc4)nc(N4CC[C@@H]5[C@H]4CCN5CC[NH+](C)C)c23)cc1 ZINC001164935058 721880277 /nfs/dbraw/zinc/88/02/77/721880277.db2.gz VERRTMCQHVIRBY-DNQXCXABSA-N 1 1 484.673 4.943 20 0 JJADMO CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3CC[C@@H]4[C@H]3CCC(=O)N4C)n2)CC1 ZINC001164934936 721893458 /nfs/dbraw/zinc/89/34/58/721893458.db2.gz UMCROLHWDMDEFB-RTBURBONSA-N 1 1 481.691 4.851 20 0 JJADMO c1ccc(C[N@H+]2CCc3nc(N4CC[C@@]5(C4)COCc4cnc(-c6ccccc6)nc45)ccc3C2)cc1 ZINC001164928943 721898561 /nfs/dbraw/zinc/89/85/61/721898561.db2.gz SPKUMEANWTZKCD-WJOKGBTCSA-N 1 1 489.623 4.775 20 0 JJADMO CCOC(=O)c1cnc(Cl)c(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1Cl ZINC001164939376 721923230 /nfs/dbraw/zinc/92/32/30/721923230.db2.gz KPYVWXRZBUBRJD-UHFFFAOYSA-N 1 1 478.420 4.745 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncnc5c4ccn5Cc4cccc(F)c4)CC3)C2)cc1 ZINC001164940587 721927303 /nfs/dbraw/zinc/92/73/03/721927303.db2.gz ULVMMBWEFJVFEB-UHFFFAOYSA-N 1 1 485.607 4.799 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4cc(Cl)nc(-c5cccnc5)n4)CC3)C2)cc1 ZINC001164938698 721930585 /nfs/dbraw/zinc/93/05/85/721930585.db2.gz DVMWZOPVDLXILB-UHFFFAOYSA-N 1 1 499.993 4.917 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(-c5cccnc5)nc5ccccc54)CC3)C2)cc1 ZINC001164938737 721930672 /nfs/dbraw/zinc/93/06/72/721930672.db2.gz FXYVJWJHXNKREN-UHFFFAOYSA-N 1 1 465.601 4.872 20 0 JJADMO CC(C)(C)C(=O)Nc1ccnc(N2CCC(CCc3ccccc3)CC2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001165045150 721939977 /nfs/dbraw/zinc/93/99/77/721939977.db2.gz VZODZYKJGCMTKI-DEOSSOPVSA-N 1 1 478.681 4.730 20 0 JJADMO CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)C[C@@H]12 ZINC001164942806 721967433 /nfs/dbraw/zinc/96/74/33/721967433.db2.gz CXZVEFOXURWOBH-QDPGVEIFSA-N 1 1 489.689 4.673 20 0 JJADMO COC[C@]12COC[C@H]1CN(c1nc(C[NH+]3CCCCC3)nc3scc(-c4cccs4)c31)C2 ZINC001164952890 721994776 /nfs/dbraw/zinc/99/47/76/721994776.db2.gz QUIGITXYXGYZFZ-MZNJEOGPSA-N 1 1 470.664 4.505 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCCn3cnc(COc4cccnc4)c3C2)n1 ZINC001164948702 721998267 /nfs/dbraw/zinc/99/82/67/721998267.db2.gz AMKQHNJHKWWNMV-UHFFFAOYSA-N 1 1 491.665 4.731 20 0 JJADMO Fc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1 ZINC001164955908 722022526 /nfs/dbraw/zinc/02/25/26/722022526.db2.gz SBIAGQOEBWKNMJ-UHFFFAOYSA-N 1 1 453.949 4.949 20 0 JJADMO Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(c2ccc4c(n2)CC[N@H+](Cc2ccccc2)C4)C3)n1 ZINC001164959060 722026173 /nfs/dbraw/zinc/02/61/73/722026173.db2.gz HQFXISUUOSVPDQ-VEEOACQBSA-N 1 1 498.671 4.936 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCO[C@@H]4[C@H](Oc5ncccc5F)CC[C@H]43)c2c1C ZINC001164958346 722029491 /nfs/dbraw/zinc/02/94/91/722029491.db2.gz ONOCDIHZWYNKRT-VIZSFHNOSA-N 1 1 497.640 4.643 20 0 JJADMO Cc1ccc(N2C[C@]3(CCN(c4nc(C[NH+]5CCCC5)nc5sc(C)c(C)c54)C3)CC2=O)s1 ZINC001164963539 722044509 /nfs/dbraw/zinc/04/45/09/722044509.db2.gz RWHFPCMGAPFEDE-RUZDIDTESA-N 1 1 481.691 4.907 20 0 JJADMO Clc1cc(OCc2ccccc2)cnc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164959975 722058575 /nfs/dbraw/zinc/05/85/75/722058575.db2.gz BEEHMMQZRDPODH-UHFFFAOYSA-N 1 1 479.024 4.828 20 0 JJADMO c1ccc(COc2ccc3c(c2)ncnc3N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc1 ZINC001164964306 722061785 /nfs/dbraw/zinc/06/17/85/722061785.db2.gz FSXIUVZVIPJIFG-UHFFFAOYSA-N 1 1 495.627 4.723 20 0 JJADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCn3c(COCc4cncc(C)c4)cnc3[C@H]2C)nc1 ZINC001164965021 722063359 /nfs/dbraw/zinc/06/33/59/722063359.db2.gz IDFHEYPJQSAJIF-BWKNWUBXSA-N 1 1 460.626 4.826 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CC2)Cc2ccccc2CNC3=O)n1 ZINC001164967885 722078411 /nfs/dbraw/zinc/07/84/11/722078411.db2.gz MIFQUHHJYFBSEK-UHFFFAOYSA-N 1 1 477.678 4.609 20 0 JJADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@@H]5C[C@@H](C(=O)NC6CCC6)C[C@@H]5C3)n2)CCC4)CC1 ZINC001164976758 722085485 /nfs/dbraw/zinc/08/54/85/722085485.db2.gz WMZTYPYQYSQUQL-ACDBMABISA-N 1 1 493.721 4.543 20 0 JJADMO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984710 722106569 /nfs/dbraw/zinc/10/65/69/722106569.db2.gz UDGMJYSBFYJBHA-JXFKEZNVSA-N 1 1 494.373 4.604 20 0 JJADMO FC(F)(c1ccc2ccc(Cl)nc2c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971021 722111840 /nfs/dbraw/zinc/11/18/40/722111840.db2.gz BBZIBHHGUCJEMW-DENIHFKCSA-N 1 1 458.940 4.555 20 0 JJADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975172 722130057 /nfs/dbraw/zinc/13/00/57/722130057.db2.gz FGAAFGPKTTZEDL-UTKZUKDTSA-N 1 1 473.404 4.673 20 0 JJADMO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973416 722137936 /nfs/dbraw/zinc/13/79/36/722137936.db2.gz CDQAKWSADZUXQM-PBHICJAKSA-N 1 1 477.770 4.709 20 0 JJADMO Fc1ccc(-c2nnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c3ccccc32)cc1F ZINC001164980270 722140473 /nfs/dbraw/zinc/14/04/73/722140473.db2.gz MJLXAUFQQAJQHH-QFQXNSOFSA-N 1 1 487.554 4.697 20 0 JJADMO Fc1ccc(-c2nnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c3ccccc32)cc1F ZINC001164980271 722140837 /nfs/dbraw/zinc/14/08/37/722140837.db2.gz MJLXAUFQQAJQHH-RLWLMLJZSA-N 1 1 487.554 4.697 20 0 JJADMO Fc1ccc(-c2nc3ccccc3c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164980267 722141874 /nfs/dbraw/zinc/14/18/74/722141874.db2.gz MITYTUGLKATBKA-NVQXNPDNSA-N 1 1 469.564 4.558 20 0 JJADMO Cc1ccc(-c2nc3ccccc3c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)s1 ZINC001164984256 722145918 /nfs/dbraw/zinc/14/59/18/722145918.db2.gz XATMAUYURSOCBL-URXFXBBRSA-N 1 1 471.630 4.789 20 0 JJADMO c1ccc(-c2ccc(-c3ccc(N4CC[C@@H]5C[N@@H+](Cc6cccnc6)CCO[C@@H]5C4)nn3)cc2)cc1 ZINC001164978116 722147816 /nfs/dbraw/zinc/14/78/16/722147816.db2.gz JZJLZSSKCGMBHN-XRKRLSELSA-N 1 1 477.612 4.933 20 0 JJADMO Cc1nc(-c2ccccc2Cl)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1C ZINC001164980915 722149066 /nfs/dbraw/zinc/14/90/66/722149066.db2.gz NTQXWRVMVLDZLT-QPPBQGQZSA-N 1 1 464.013 4.536 20 0 JJADMO Fc1ccc(-c2nc(Cl)cc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1Cl ZINC001164972147 722152450 /nfs/dbraw/zinc/15/24/50/722152450.db2.gz GAPOIMGERAVSBL-GHTZIAJQSA-N 1 1 488.394 4.712 20 0 JJADMO Clc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977145 722154772 /nfs/dbraw/zinc/15/47/72/722154772.db2.gz XOJLNBVONLENNE-PGRDOPGGSA-N 1 1 486.403 4.698 20 0 JJADMO CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164973003 722155657 /nfs/dbraw/zinc/15/56/57/722155657.db2.gz JRXNCSQAYWFLEC-QPPBQGQZSA-N 1 1 480.012 4.607 20 0 JJADMO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971574 722158826 /nfs/dbraw/zinc/15/88/26/722158826.db2.gz BSTRDMCODGEIMK-XXBNENTESA-N 1 1 476.999 4.671 20 0 JJADMO CN1c2ccccc2[C@]2(CCN(c3nc(C[NH+](C)C)nc4scc(-c5ccccc5)c43)C2)C1=O ZINC001164981136 722162790 /nfs/dbraw/zinc/16/27/90/722162790.db2.gz OQWRVIKKNMDEIA-HHHXNRCGSA-N 1 1 469.614 4.544 20 0 JJADMO c1ccc(C[N@H+]2CCc3nc(N4CCC[C@]5(C[C@H](OCC6CCCC6)CO5)C4)ccc3C2)cc1 ZINC001164976777 722164428 /nfs/dbraw/zinc/16/44/28/722164428.db2.gz CVSMJZYNSCLKPF-WNJJXGMVSA-N 1 1 461.650 4.975 20 0 JJADMO c1ccc(C[N@H+]2CCc3nc(N4CCC[C@]5(C[C@@H](OCC6CCCC6)CO5)C4)ccc3C2)cc1 ZINC001164976772 722164595 /nfs/dbraw/zinc/16/45/95/722164595.db2.gz CVSMJZYNSCLKPF-UHSQPCAPSA-N 1 1 461.650 4.975 20 0 JJADMO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994310 722197790 /nfs/dbraw/zinc/19/77/90/722197790.db2.gz MWXMUBGSXIENEK-QHCPKHFHSA-N 1 1 494.945 4.626 20 0 JJADMO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994310 722197792 /nfs/dbraw/zinc/19/77/92/722197792.db2.gz MWXMUBGSXIENEK-QHCPKHFHSA-N 1 1 494.945 4.626 20 0 JJADMO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995977 722205238 /nfs/dbraw/zinc/20/52/38/722205238.db2.gz QZFQXTIHYDYBJH-LNMUWQJVSA-N 1 1 494.611 4.636 20 0 JJADMO COc1ccc(-c2ccc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nn2)c(OC)c1OC ZINC001164998770 722211619 /nfs/dbraw/zinc/21/16/19/722211619.db2.gz XOPZUXRVIWSMDX-MHZLTWQESA-N 1 1 478.568 4.553 20 0 JJADMO O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001165000348 722221277 /nfs/dbraw/zinc/22/12/77/722221277.db2.gz WPDAOHBZDPEHIX-DEOSSOPVSA-N 1 1 465.041 4.911 20 0 JJADMO O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164998632 722221332 /nfs/dbraw/zinc/22/13/32/722221332.db2.gz KWIWCHKPHQWISB-MUUNZHRXSA-N 1 1 493.655 4.615 20 0 JJADMO O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164998632 722221335 /nfs/dbraw/zinc/22/13/35/722221335.db2.gz KWIWCHKPHQWISB-MUUNZHRXSA-N 1 1 493.655 4.615 20 0 JJADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H](OCc4csc(C)n4)CO3)CC2)nc1 ZINC001165009039 722273295 /nfs/dbraw/zinc/27/32/95/722273295.db2.gz NIXCOXRSQSEIDU-PKTZIBPZSA-N 1 1 456.656 4.738 20 0 JJADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](OCc4csc(C)n4)CO3)CC2)nc1 ZINC001165009037 722273355 /nfs/dbraw/zinc/27/33/55/722273355.db2.gz NIXCOXRSQSEIDU-GOTSBHOMSA-N 1 1 456.656 4.738 20 0 JJADMO CC(C)c1nnc(N2CCCN(c3ncccc3F)CC2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001359712599 1064261602 /nfs/dbraw/zinc/26/16/02/1064261602.db2.gz ZVSMBZAGJBRWDV-JOCHJYFZSA-N 1 1 486.039 4.609 20 0 JJADMO CC(C)c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1Cc1cccc(C(C)(C)O)c1 ZINC001359716104 1064264801 /nfs/dbraw/zinc/26/48/01/1064264801.db2.gz VVACPXOEOZFDTD-IBGZPJMESA-N 1 1 453.656 4.622 20 0 JJADMO CC(C)c1nnc(N2CCN(Cc3cccc(F)c3)CC2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001359719331 1064266630 /nfs/dbraw/zinc/26/66/30/1064266630.db2.gz JIHVZFBOACVYME-UHFFFAOYSA-N 1 1 456.654 4.517 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001545862205 1064270215 /nfs/dbraw/zinc/27/02/15/1064270215.db2.gz CHFNKTSIZYNAML-RTWAWAEBSA-N 1 1 460.711 4.581 20 0 JJADMO CC(C)c1nnc(N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001359723924 1064271738 /nfs/dbraw/zinc/27/17/38/1064271738.db2.gz BWZWNGIKFBNKQB-JOCHJYFZSA-N 1 1 477.600 4.845 20 0 JJADMO CC(C)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001359726960 1064273530 /nfs/dbraw/zinc/27/35/30/1064273530.db2.gz BNNCSXMQNOOYAE-SFHLNBCPSA-N 1 1 488.702 4.650 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(C)(C)CC2)n1C[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001545866080 1064276041 /nfs/dbraw/zinc/27/60/41/1064276041.db2.gz UQYADDRZYXTWTJ-XMMPIXPASA-N 1 1 480.701 4.660 20 0 JJADMO CC(C)[C@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001359729036 1064278001 /nfs/dbraw/zinc/27/80/01/1064278001.db2.gz QXYVYEQOUKKGPJ-KRWDZBQOSA-N 1 1 464.477 4.903 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@@H]2CC)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001545868648 1064280612 /nfs/dbraw/zinc/28/06/12/1064280612.db2.gz UNDBVZULVBADEH-VJBMBRPKSA-N 1 1 458.695 4.618 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1C[C@H]1CC[C@H](C)C1 ZINC001545870144 1064282694 /nfs/dbraw/zinc/28/26/94/1064282694.db2.gz HMNHKGKWNOKNAP-FIXSFTCYSA-N 1 1 480.701 4.734 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3C)C2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001545870634 1064285282 /nfs/dbraw/zinc/28/52/82/1064285282.db2.gz SASGIBNYHXQBIG-UPVQGACJSA-N 1 1 480.701 4.763 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccsc3)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001545872160 1064287637 /nfs/dbraw/zinc/28/76/37/1064287637.db2.gz IRRWSRZOXCMQGK-NRFANRHFSA-N 1 1 484.670 4.538 20 0 JJADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(F)c(F)cc1Br ZINC001545879770 1064295546 /nfs/dbraw/zinc/29/55/46/1064295546.db2.gz FWSUYXUZMVVTHZ-OAHLLOKOSA-N 1 1 453.327 4.560 20 0 JJADMO CC(C)[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001359738801 1064303573 /nfs/dbraw/zinc/30/35/73/1064303573.db2.gz DDJZAFYGKUDWPR-IAGOWNOFSA-N 1 1 496.881 4.564 20 0 JJADMO CC(C)[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001359738801 1064303590 /nfs/dbraw/zinc/30/35/90/1064303590.db2.gz DDJZAFYGKUDWPR-IAGOWNOFSA-N 1 1 496.881 4.564 20 0 JJADMO CC(C)[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001359739276 1064306396 /nfs/dbraw/zinc/30/63/96/1064306396.db2.gz PEHLQOZSJNZTQQ-GJZGRUSLSA-N 1 1 452.466 4.734 20 0 JJADMO CC(C)[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@@H+](C)Cc2ccccc2)C1 ZINC001359740295 1064309697 /nfs/dbraw/zinc/30/96/97/1064309697.db2.gz RICUSCSZOHQAKX-QFIPXVFZSA-N 1 1 453.034 4.998 20 0 JJADMO CCCN1CCN(c2ccc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc2Cl)CC1 ZINC001434880225 1064312210 /nfs/dbraw/zinc/31/22/10/1064312210.db2.gz DRKDWEKYUNBVEU-JOCHJYFZSA-N 1 1 455.046 4.723 20 0 JJADMO CCCN1CCN(c2ccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2Cl)CC1 ZINC001434880225 1064312220 /nfs/dbraw/zinc/31/22/20/1064312220.db2.gz DRKDWEKYUNBVEU-JOCHJYFZSA-N 1 1 455.046 4.723 20 0 JJADMO CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(C)(C)[NH+]2CCOCC2)CCS1 ZINC001359747624 1064330410 /nfs/dbraw/zinc/33/04/10/1064330410.db2.gz FOGYEXAZZZJKDA-HXUWFJFHSA-N 1 1 498.524 4.941 20 0 JJADMO CC(C)[C@H]1CN(c2nnc(-c3cccnc3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)CCS1 ZINC001359749451 1064338034 /nfs/dbraw/zinc/33/80/34/1064338034.db2.gz RBBICGTUORKYMZ-XUZZJYLKSA-N 1 1 464.683 4.829 20 0 JJADMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C(=O)NCCc1ccccc1 ZINC001434925145 1064353517 /nfs/dbraw/zinc/35/35/17/1064353517.db2.gz PUJTURDPWIOWET-VWLOTQADSA-N 1 1 455.602 4.818 20 0 JJADMO CC(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001359760764 1064370206 /nfs/dbraw/zinc/37/02/06/1064370206.db2.gz YXKQGTRXUMQQSM-JYFHCDHNSA-N 1 1 471.665 4.626 20 0 JJADMO CC(C)[C@H]1OCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001359761556 1064372302 /nfs/dbraw/zinc/37/23/02/1064372302.db2.gz IRZNOYLKWZATET-ZEQKJWHPSA-N 1 1 483.701 4.519 20 0 JJADMO Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001434963975 1064379012 /nfs/dbraw/zinc/37/90/12/1064379012.db2.gz WPZGUZHTHCKIIM-SFHVURJKSA-N 1 1 451.014 4.556 20 0 JJADMO CCCN(C(=O)c1ccc(NC(=O)N(C)C)cc1Cl)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001434974651 1064389558 /nfs/dbraw/zinc/38/95/58/1064389558.db2.gz GOWMNBMMKPJZBR-OAQYLSRUSA-N 1 1 457.018 4.950 20 0 JJADMO Cc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)nc(-c2ccc(Cl)cc2)n1 ZINC001434995715 1064409960 /nfs/dbraw/zinc/40/99/60/1064409960.db2.gz KKESYAOLKVNBQO-UHFFFAOYSA-N 1 1 456.377 4.763 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001359775133 1064417021 /nfs/dbraw/zinc/41/70/21/1064417021.db2.gz JEJOREFZRSRTAB-UCHAVIOPSA-N 1 1 459.704 4.532 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001359775339 1064418098 /nfs/dbraw/zinc/41/80/98/1064418098.db2.gz NUPSQHSIGCFIBT-MPEABJBUSA-N 1 1 459.704 4.532 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1CCOC1CCCCCC1 ZINC001359777207 1064420471 /nfs/dbraw/zinc/42/04/71/1064420471.db2.gz DNMRXZHGUZYQDJ-XMMPIXPASA-N 1 1 453.675 4.927 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1C[C@H]1CSCCS1 ZINC001359777495 1064421451 /nfs/dbraw/zinc/42/14/51/1064421451.db2.gz LIVYECBNHCEBLR-WWNPGLIZSA-N 1 1 473.756 4.815 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CCC[C@H]1CCCCO1 ZINC001359777827 1064422200 /nfs/dbraw/zinc/42/22/00/1064422200.db2.gz RUWGVSJBOXEJSY-JWQCQUIFSA-N 1 1 453.675 4.927 20 0 JJADMO CC(C)Cc1nnc(N(C)Cc2ccc(C(F)(F)F)cc2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001359780249 1064428735 /nfs/dbraw/zinc/42/87/35/1064428735.db2.gz OSIAJUJGBOKVSX-IBGZPJMESA-N 1 1 467.580 4.633 20 0 JJADMO CC(C)Cc1nnc(N(C)C[C@@H]2CCCCO2)n1CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001359783442 1064435199 /nfs/dbraw/zinc/43/51/99/1064435199.db2.gz ZAOARQFJDITUIG-GPXOXTDOSA-N 1 1 453.675 4.783 20 0 JJADMO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)[C@@H]1CCCn2cc(C(F)(F)F)nc21 ZINC001435048011 1064464344 /nfs/dbraw/zinc/46/43/44/1064464344.db2.gz VIOGIHHRGAZAII-QZTJIDSGSA-N 1 1 454.924 4.604 20 0 JJADMO O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)[C@@H]1CCCn2cc(C(F)(F)F)nc21 ZINC001435048011 1064464354 /nfs/dbraw/zinc/46/43/54/1064464354.db2.gz VIOGIHHRGAZAII-QZTJIDSGSA-N 1 1 454.924 4.604 20 0 JJADMO O=C(CCCNC(=O)OCc1ccccc1)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001435048148 1064464506 /nfs/dbraw/zinc/46/45/06/1064464506.db2.gz VZXJHWNAPPAHFW-HSZRJFAPSA-N 1 1 458.002 4.517 20 0 JJADMO CC(C)Cc1nnc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001359800509 1064467778 /nfs/dbraw/zinc/46/77/78/1064467778.db2.gz HPIMBASIFMSBCA-CYFREDJKSA-N 1 1 460.066 4.564 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1Cc1cccnc1OCC(F)F ZINC001359802441 1064470785 /nfs/dbraw/zinc/47/07/85/1064470785.db2.gz OEBXCTPZBNVPLE-OAQYLSRUSA-N 1 1 498.622 4.665 20 0 JJADMO CC(C)Cc1nnc(N2CCC(c3ccnn3C)CC2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001359804907 1064473471 /nfs/dbraw/zinc/47/34/71/1064473471.db2.gz HMJQXXCTXNNAMB-JOCHJYFZSA-N 1 1 463.674 4.505 20 0 JJADMO CC(C)Cc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCOc1cccc(Cl)c1 ZINC001359809099 1064482541 /nfs/dbraw/zinc/48/25/41/1064482541.db2.gz GRMPGVUBHCRKGH-OYRHEFFESA-N 1 1 490.092 4.535 20 0 JJADMO CC(C)Cc1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001359811303 1064486673 /nfs/dbraw/zinc/48/66/73/1064486673.db2.gz KEWMQIKNCHZLKE-FQEVSTJZSA-N 1 1 462.086 4.536 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359831744 1064515001 /nfs/dbraw/zinc/51/50/01/1064515001.db2.gz BBUKFELSLXCGJC-XPWALMASSA-N 1 1 488.765 4.612 20 0 JJADMO CC1(C)C[N@H+](C2(CNC(=O)c3ccc(-c4cccc(Cl)c4)[nH]c3=O)CCCCC2)CCO1 ZINC001435105742 1064515879 /nfs/dbraw/zinc/51/58/79/1064515879.db2.gz YVKFDYMYYRMRHT-UHFFFAOYSA-N 1 1 458.002 4.651 20 0 JJADMO C[NH+](C)[C@H](C(=O)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21)c1cccc(Cl)c1 ZINC001435109827 1064519283 /nfs/dbraw/zinc/51/92/83/1064519283.db2.gz STOMDRBDFNVWMN-QFIPXVFZSA-N 1 1 458.002 4.947 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359834323 1064520299 /nfs/dbraw/zinc/52/02/99/1064520299.db2.gz APTJHMRKUJPXTF-ZCNNSNEGSA-N 1 1 473.628 4.781 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001359834995 1064521868 /nfs/dbraw/zinc/52/18/68/1064521868.db2.gz PQRANFCRMSNMEX-RCZVLFRGSA-N 1 1 483.701 4.530 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001359834995 1064521880 /nfs/dbraw/zinc/52/18/80/1064521880.db2.gz PQRANFCRMSNMEX-RCZVLFRGSA-N 1 1 483.701 4.530 20 0 JJADMO CC(C)Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1cccc(NC(=O)C2CCCC2)c1 ZINC001359841339 1064528271 /nfs/dbraw/zinc/52/82/71/1064528271.db2.gz LAQTYZSSOWKAGH-UHFFFAOYSA-N 1 1 480.701 4.964 20 0 JJADMO CC(C)Cc1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CCc1csc(C(C)(C)C)n1 ZINC001359860671 1064550179 /nfs/dbraw/zinc/55/01/79/1064550179.db2.gz KUKPURMOPBJPIE-UHFFFAOYSA-N 1 1 472.728 4.857 20 0 JJADMO CC(C)Cc1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001359861261 1064551332 /nfs/dbraw/zinc/55/13/32/1064551332.db2.gz PPNGCALBTRUKBP-UHFFFAOYSA-N 1 1 498.663 4.525 20 0 JJADMO CC(C)Cc1nnc(N2CCN(Cc3cccc(Cl)c3)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001359861491 1064552368 /nfs/dbraw/zinc/55/23/68/1064552368.db2.gz XLGPXFAURIOUEY-QHCPKHFHSA-N 1 1 473.109 4.573 20 0 JJADMO CC(C)Cc1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001359861577 1064552839 /nfs/dbraw/zinc/55/28/39/1064552839.db2.gz ZOEDTTLRLHITLK-GMAHTHKFSA-N 1 1 466.699 4.552 20 0 JJADMO CC(C)Cc1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001359864176 1064554139 /nfs/dbraw/zinc/55/41/39/1064554139.db2.gz HOLMCBBRGOSAGZ-QHCPKHFHSA-N 1 1 482.673 4.741 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@@H](c3ccco3)C2)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001359869193 1064561628 /nfs/dbraw/zinc/56/16/28/1064561628.db2.gz UFYXMNDQZAURHE-XUZZJYLKSA-N 1 1 451.615 4.558 20 0 JJADMO CC(C)C[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001359878733 1064570338 /nfs/dbraw/zinc/57/03/38/1064570338.db2.gz MNISABLYMLWHTB-HWBMXIPRSA-N 1 1 487.664 4.786 20 0 JJADMO CC(C)C[C@H]1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001359881808 1064576216 /nfs/dbraw/zinc/57/62/16/1064576216.db2.gz SKPLLBJJIDXYFX-QHAWAJNXSA-N 1 1 457.638 4.844 20 0 JJADMO Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001435195243 1064583677 /nfs/dbraw/zinc/58/36/77/1064583677.db2.gz OPZCFFKTHDUQSE-HSZRJFAPSA-N 1 1 451.014 4.774 20 0 JJADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NCC3(c4cccc(Br)c4)CC3)cc2)C[C@@H](C)O1 ZINC001435200470 1064587781 /nfs/dbraw/zinc/58/77/81/1064587781.db2.gz WGITWVPUDYLNLC-QZTJIDSGSA-N 1 1 457.412 4.520 20 0 JJADMO C[C@@H]1C[C@H](N(C)C(=O)COc2ccccc2OCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001435204609 1064590543 /nfs/dbraw/zinc/59/05/43/1064590543.db2.gz RLXFHCGCAFNEJJ-UYAOXDASSA-N 1 1 450.501 4.518 20 0 JJADMO CC(C)CC[C@](C)(O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001359894753 1064596155 /nfs/dbraw/zinc/59/61/55/1064596155.db2.gz QUVNUZKJWGJSHB-SANMLTNESA-N 1 1 452.647 4.534 20 0 JJADMO CC(C)CC[C@@](C)(O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001359894752 1064596192 /nfs/dbraw/zinc/59/61/92/1064596192.db2.gz QUVNUZKJWGJSHB-AREMUKBSSA-N 1 1 452.647 4.534 20 0 JJADMO CC(C)CC[C@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001359895024 1064596902 /nfs/dbraw/zinc/59/69/02/1064596902.db2.gz WBCHVDDNTGDARA-OARDWFSCSA-N 1 1 483.701 4.808 20 0 JJADMO CC(C)CC[C@](C)(O)Cn1c(CC(C)C)nnc1N1CCC[C@@]2(C1)C[N@H+](Cc1ccccc1)CCO2 ZINC001359895646 1064597253 /nfs/dbraw/zinc/59/72/53/1064597253.db2.gz GFVFTOGBXBAYCX-VMPREFPWSA-N 1 1 497.728 4.535 20 0 JJADMO CC(C)CC[C@](C)(O)Cn1c(CC(C)C)nnc1N1CCC[C@@]2(C1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001359895646 1064597268 /nfs/dbraw/zinc/59/72/68/1064597268.db2.gz GFVFTOGBXBAYCX-VMPREFPWSA-N 1 1 497.728 4.535 20 0 JJADMO CC(C)CCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001359902304 1064613957 /nfs/dbraw/zinc/61/39/57/1064613957.db2.gz MXKGNBNZQYDSFQ-JTAQYXEDSA-N 1 1 476.065 4.665 20 0 JJADMO CC(C)CCCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001359907971 1064623717 /nfs/dbraw/zinc/62/37/17/1064623717.db2.gz QLVZIUAVLRSDHY-UHFFFAOYSA-N 1 1 459.610 4.967 20 0 JJADMO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC001435252607 1064629297 /nfs/dbraw/zinc/62/92/97/1064629297.db2.gz BACJHZNFMBNPHZ-QGZVFWFLSA-N 1 1 455.027 4.712 20 0 JJADMO C[N@H+]1CCC[C@H](CNC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)[C@@H]1c1cccs1 ZINC001435261633 1064637546 /nfs/dbraw/zinc/63/75/46/1064637546.db2.gz PLWYUOXGIZPQML-WTHKRRKVSA-N 1 1 459.700 4.893 20 0 JJADMO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001435262173 1064638348 /nfs/dbraw/zinc/63/83/48/1064638348.db2.gz SPLBVIGRMKJFLX-UUOWRZLLSA-N 1 1 457.043 4.946 20 0 JJADMO CC(C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001359933407 1064673616 /nfs/dbraw/zinc/67/36/16/1064673616.db2.gz RRMKFNRPVBCHPP-PMACEKPBSA-N 1 1 476.065 4.807 20 0 JJADMO CC(C)CC[NH+]1CCC(Cn2c(CC(C)C)nnc2N2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC001359949162 1064702227 /nfs/dbraw/zinc/70/22/27/1064702227.db2.gz XLLHIVUTLASEKI-RUZDIDTESA-N 1 1 480.745 4.945 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC001359950685 1064706714 /nfs/dbraw/zinc/70/67/14/1064706714.db2.gz MQRVPKNJLFYFTB-LEWJYISDSA-N 1 1 469.674 4.856 20 0 JJADMO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c2cc(Br)ccc2n1 ZINC001435337010 1064708256 /nfs/dbraw/zinc/70/82/56/1064708256.db2.gz CAHHMKLEZNABIP-AOMKIAJQSA-N 1 1 452.396 4.946 20 0 JJADMO COc1ccc(-c2nc(C)c(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)s2)c(F)c1 ZINC001435339264 1064709514 /nfs/dbraw/zinc/70/95/14/1064709514.db2.gz MFCSUICILNUBFV-AOMKIAJQSA-N 1 1 453.583 4.907 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC2=CCCOC2)cc1 ZINC001359952654 1064716306 /nfs/dbraw/zinc/71/63/06/1064716306.db2.gz ZHWZLNYYFVVJIU-UHFFFAOYSA-N 1 1 467.658 4.637 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H]2CC=CCO2)cc1 ZINC001359952653 1064716419 /nfs/dbraw/zinc/71/64/19/1064716419.db2.gz ZHFGIPQBDZHAMJ-VWLOTQADSA-N 1 1 467.658 4.636 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[N@H+]2CCC[C@H]2C)cc1 ZINC001359955054 1064722638 /nfs/dbraw/zinc/72/26/38/1064722638.db2.gz PRUVHRVUVJFEAQ-DENIHFKCSA-N 1 1 495.590 4.622 20 0 JJADMO Cc1nc(CC(F)(F)F)sc1CC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001435360551 1064723660 /nfs/dbraw/zinc/72/36/60/1064723660.db2.gz MDSDWRBBTFTUBK-JOCHJYFZSA-N 1 1 451.558 4.614 20 0 JJADMO CC(C)(C)C(=O)NCc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)cc1 ZINC001359957066 1064725121 /nfs/dbraw/zinc/72/51/21/1064725121.db2.gz IKNPXWNEMWCBEH-QHCPKHFHSA-N 1 1 456.030 4.787 20 0 JJADMO CC(C)(C)C(=O)NCc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)cc1 ZINC001359957066 1064725134 /nfs/dbraw/zinc/72/51/34/1064725134.db2.gz IKNPXWNEMWCBEH-QHCPKHFHSA-N 1 1 456.030 4.787 20 0 JJADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)c3ccc(F)cc3C(F)(F)F)CC2)c1C ZINC001359972069 1064748635 /nfs/dbraw/zinc/74/86/35/1064748635.db2.gz HYDFBVSQRIPHMK-UHFFFAOYSA-N 1 1 453.480 4.602 20 0 JJADMO Cc1ccc2nc(COc3ccccc3C(=O)NCC[C@@H](C)[N@@H+](C)Cc3ccccc3)cn2c1 ZINC001435426174 1064751140 /nfs/dbraw/zinc/75/11/40/1064751140.db2.gz YVDHLIZSNSHBSH-JOCHJYFZSA-N 1 1 456.590 4.862 20 0 JJADMO CC(C)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001359982391 1064757505 /nfs/dbraw/zinc/75/75/05/1064757505.db2.gz BSIGTCMOPSSHSD-TUACAJSNSA-N 1 1 453.675 4.736 20 0 JJADMO C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)c3ccc(-c4ccc(C(C)(C)C)cc4)o3)c2)CC1 ZINC001435442957 1064759914 /nfs/dbraw/zinc/75/99/14/1064759914.db2.gz NJXONTLAZZLFOD-UHFFFAOYSA-N 1 1 459.590 4.813 20 0 JJADMO CC[C@@H](NC(=O)c1c(C)cc(C)c(Br)c1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435453928 1064765735 /nfs/dbraw/zinc/76/57/35/1064765735.db2.gz BDVPMOHCBFLXPF-RTWAWAEBSA-N 1 1 459.428 4.784 20 0 JJADMO CC[C@@H](NC(=O)c1c(C)cc(C)c(Br)c1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435453928 1064765746 /nfs/dbraw/zinc/76/57/46/1064765746.db2.gz BDVPMOHCBFLXPF-RTWAWAEBSA-N 1 1 459.428 4.784 20 0 JJADMO CC[C@H](NC(=O)C1(c2ccc(C)c(OC)c2)CCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435457056 1064767968 /nfs/dbraw/zinc/76/79/68/1064767968.db2.gz WBFZEFHDORFBKO-AZGAKELHSA-N 1 1 450.623 4.611 20 0 JJADMO CC[C@H](NC(=O)C1(c2ccc(C)c(OC)c2)CCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435457056 1064767983 /nfs/dbraw/zinc/76/79/83/1064767983.db2.gz WBFZEFHDORFBKO-AZGAKELHSA-N 1 1 450.623 4.611 20 0 JJADMO CC(C)CN(c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccccc1Cl)[NH+](C)C)C1CCCC1 ZINC001359989430 1064770266 /nfs/dbraw/zinc/77/02/66/1064770266.db2.gz LPKCVZILZAINOE-FGZHOGPDSA-N 1 1 473.065 4.591 20 0 JJADMO CC(C)CN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(C)C ZINC001359989543 1064770940 /nfs/dbraw/zinc/77/09/40/1064770940.db2.gz OBQMXZQYERIGSJ-LOSJGSFVSA-N 1 1 453.675 4.608 20 0 JJADMO CC(C)CN(c1nnc(COc2ccc(F)cc2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC001359993301 1064776664 /nfs/dbraw/zinc/77/66/64/1064776664.db2.gz QHUSFQPNLQJFKO-OYRHEFFESA-N 1 1 475.653 4.755 20 0 JJADMO CC(C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001359995424 1064780839 /nfs/dbraw/zinc/78/08/39/1064780839.db2.gz QGMAZACAPGQDTM-UHFFFAOYSA-N 1 1 466.474 4.809 20 0 JJADMO CC(C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001360006073 1064792891 /nfs/dbraw/zinc/79/28/91/1064792891.db2.gz JYCNOQYFCNOQDW-TZRRMPRUSA-N 1 1 496.700 4.806 20 0 JJADMO CC(C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001360006074 1064793056 /nfs/dbraw/zinc/79/30/56/1064793056.db2.gz JYCNOQYFCNOQDW-VXNXHJTFSA-N 1 1 496.700 4.806 20 0 JJADMO CC(C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001360006939 1064793913 /nfs/dbraw/zinc/79/39/13/1064793913.db2.gz YUZNDDHUEKWRBD-GSPCLOLRSA-N 1 1 488.721 4.796 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)CC(F)(F)F)C1 ZINC001360008213 1064796708 /nfs/dbraw/zinc/79/67/08/1064796708.db2.gz NCVYEAJIQVGUMM-MSOLQXFVSA-N 1 1 471.543 4.924 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3ccc(Br)cc3)nnc2N(C)CC2CC2)C1 ZINC001360008280 1064797639 /nfs/dbraw/zinc/79/76/39/1064797639.db2.gz OLNGJKNLPZKTQA-LJQANCHMSA-N 1 1 460.464 4.922 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CCC(F)(F)CC2)C1 ZINC001360008803 1064798234 /nfs/dbraw/zinc/79/82/34/1064798234.db2.gz YERIRNLXJJLQAX-KRWDZBQOSA-N 1 1 499.448 4.650 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCCOCC2)C1 ZINC001360008502 1064798397 /nfs/dbraw/zinc/79/83/97/1064798397.db2.gz SBXZUQPNKTZNET-SFHVURJKSA-N 1 1 466.457 4.847 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccccc3Br)nnc2N(C)CC2CC2)C1 ZINC001360009518 1064798805 /nfs/dbraw/zinc/79/88/05/1064798805.db2.gz BOJYWLDUQARWQZ-IBGZPJMESA-N 1 1 460.464 4.922 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CCC(F)(F)CC2)C1 ZINC001360008804 1064799105 /nfs/dbraw/zinc/79/91/05/1064799105.db2.gz YERIRNLXJJLQAX-QGZVFWFLSA-N 1 1 499.448 4.650 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccccc3Br)nnc2N2CCCO[C@@H](C)C2)C1 ZINC001360009900 1064799988 /nfs/dbraw/zinc/79/99/88/1064799988.db2.gz HIKCWYDPEACOMG-PMACEKPBSA-N 1 1 490.490 4.691 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccccn3)nnc2N(C)Cc2ccc(Br)o2)C1 ZINC001360010237 1064801513 /nfs/dbraw/zinc/80/15/13/1064801513.db2.gz MYNJWVYBFNAFGN-SFHVURJKSA-N 1 1 487.446 4.700 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2ccc(OC(F)F)cc2)C1 ZINC001360010721 1064803426 /nfs/dbraw/zinc/80/34/26/1064803426.db2.gz VEORLLFLGHJQPW-FGZHOGPDSA-N 1 1 491.627 4.778 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@H]3CCCCO3)nnc2N2CCC(C(F)(F)F)CC2)C1 ZINC001360010935 1064805457 /nfs/dbraw/zinc/80/54/57/1064805457.db2.gz YNAARUWKYLGYIG-UYAOXDASSA-N 1 1 457.585 4.666 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(N3CCO[C@H](c4ccc(F)c(F)c4)C3)nnc2C(C)(C)C)C1 ZINC001360011817 1064807233 /nfs/dbraw/zinc/80/72/33/1064807233.db2.gz IVIZOHDULAIXKS-XXBNENTESA-N 1 1 475.628 4.800 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(CCOc3ccccc3)nnc2N2CCC[C@@H](C)CC2)C1 ZINC001360011906 1064807362 /nfs/dbraw/zinc/80/73/62/1064807362.db2.gz KBXCGNABLNBIIB-DNQXCXABSA-N 1 1 453.675 4.894 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(N3C[C@H](C)O[C@@H](c4ccsc4)C3)nnc2C(C)(C)C)C1 ZINC001360012398 1064809331 /nfs/dbraw/zinc/80/93/31/1064809331.db2.gz REGGGRUBJVWYCP-JAXLGGSGSA-N 1 1 459.704 4.972 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(N3C[C@@H](C)O[C@@H](c4ccsc4)C3)nnc2C(C)(C)C)C1 ZINC001360012400 1064810402 /nfs/dbraw/zinc/81/04/02/1064810402.db2.gz REGGGRUBJVWYCP-RZUBCFFCSA-N 1 1 459.704 4.972 20 0 JJADMO Cc1oc(-c2ccccc2)nc1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001435529532 1064810441 /nfs/dbraw/zinc/81/04/41/1064810441.db2.gz IJILNHCTGIBFQK-UHFFFAOYSA-N 1 1 454.368 4.807 20 0 JJADMO COc1cc(Cl)c(F)c(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)c1 ZINC001435529277 1064810569 /nfs/dbraw/zinc/81/05/69/1064810569.db2.gz REFGEZFNXBUELR-UHFFFAOYSA-N 1 1 455.755 4.645 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(F)(F)CC2)C1 ZINC001360012806 1064811350 /nfs/dbraw/zinc/81/13/50/1064811350.db2.gz WOBFNFVXGBQGPG-PWRODBHTSA-N 1 1 467.649 4.800 20 0 JJADMO Cc1ccccc1-n1ncc(C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)c1C(C)C ZINC001360027036 1064828462 /nfs/dbraw/zinc/82/84/62/1064828462.db2.gz LSPYLEQBHDXXCW-UHFFFAOYSA-N 1 1 452.643 4.848 20 0 JJADMO CC[C@@H](C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)c1ccc(Br)cc1 ZINC001360027555 1064829332 /nfs/dbraw/zinc/82/93/32/1064829332.db2.gz VSDKNTVRMZYFAF-HXUWFJFHSA-N 1 1 451.449 4.873 20 0 JJADMO Cc1cccc(CNC(=O)c2ccc(C(=O)N3C[C@@H](C)[N@@H+](Cc4ccccc4)C[C@@H]3C)cc2)c1 ZINC001435563364 1064835245 /nfs/dbraw/zinc/83/52/45/1064835245.db2.gz BKYFGJBGGSIMGA-PKTZIBPZSA-N 1 1 455.602 4.660 20 0 JJADMO Cc1cccc(CNC(=O)c2ccc(C(=O)N3C[C@@H](C)[N@H+](Cc4ccccc4)C[C@@H]3C)cc2)c1 ZINC001435563364 1064835250 /nfs/dbraw/zinc/83/52/50/1064835250.db2.gz BKYFGJBGGSIMGA-PKTZIBPZSA-N 1 1 455.602 4.660 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@H](C(C)(C)C)C2)C1 ZINC001360033943 1064837138 /nfs/dbraw/zinc/83/71/38/1064837138.db2.gz ANJJRHFJIYALFZ-HFMPRLQTSA-N 1 1 487.664 4.786 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)Cc2ccsc2)C1 ZINC001360034162 1064838106 /nfs/dbraw/zinc/83/81/06/1064838106.db2.gz BUQRXCNJBQQAHW-FPOVZHCZSA-N 1 1 487.645 4.612 20 0 JJADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2C[C@H](C)CC(C)(C)C2)C1 ZINC001360034695 1064839401 /nfs/dbraw/zinc/83/94/01/1064839401.db2.gz GXNDIZGTPWNKKF-DENIHFKCSA-N 1 1 460.066 4.828 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2CC[C@H](C)[C@H](C)C2)C1 ZINC001360035144 1064839799 /nfs/dbraw/zinc/83/97/99/1064839799.db2.gz KKWHFNDUTANDAS-KSZLIROESA-N 1 1 496.519 4.608 20 0 JJADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC[C@@H](C)C2)C1 ZINC001360035922 1064842447 /nfs/dbraw/zinc/84/24/47/1064842447.db2.gz RCHOPLMKVMLFHX-IEBWSBKVSA-N 1 1 466.457 4.845 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccccc3Cl)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)C1 ZINC001360036046 1064843208 /nfs/dbraw/zinc/84/32/08/1064843208.db2.gz RSRVTENZPWXMIE-NJYVYQBISA-N 1 1 460.066 4.970 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@@H](C(C)C)C2)C1 ZINC001360036264 1064844456 /nfs/dbraw/zinc/84/44/56/1064844456.db2.gz WXYMJDYHQPZEST-ZRBLBEILSA-N 1 1 487.664 4.786 20 0 JJADMO 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CC(C)COc1cccc(Cn2c(CC(C)C)nnc2N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC001360051324 1064878001 /nfs/dbraw/zinc/87/80/01/1064878001.db2.gz AVYZHONSRLGXKE-JOCHJYFZSA-N 1 1 453.675 4.870 20 0 JJADMO CC(C)CO[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC001360055407 1064885058 /nfs/dbraw/zinc/88/50/58/1064885058.db2.gz SRRLBHGISIGKRB-KCZVDYSFSA-N 1 1 459.704 4.972 20 0 JJADMO CC(C)CO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001360056412 1064887138 /nfs/dbraw/zinc/88/71/38/1064887138.db2.gz CJIMLRJWNLOXAF-FCHUYYIVSA-N 1 1 487.664 4.931 20 0 JJADMO CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001360056630 1064888528 /nfs/dbraw/zinc/88/85/28/1064888528.db2.gz DQCQSJBMVOZAIJ-QFIPXVFZSA-N 1 1 487.023 4.516 20 0 JJADMO CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001360056635 1064888619 /nfs/dbraw/zinc/88/86/19/1064888619.db2.gz DSFDCESFSQZYLL-XMMPIXPASA-N 1 1 483.701 4.605 20 0 JJADMO CC(C)CO[C@@H]1CCN(c2nnc(CC(C)C)n2C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC001360061701 1064901189 /nfs/dbraw/zinc/90/11/89/1064901189.db2.gz AKNBZHNQBWQLBB-LGVFNWMJSA-N 1 1 459.704 4.873 20 0 JJADMO CC(C)CO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC001360061978 1064901729 /nfs/dbraw/zinc/90/17/29/1064901729.db2.gz FCMKDBSRYZMNLU-JWQCQUIFSA-N 1 1 467.702 4.683 20 0 JJADMO CC(C)CO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC001360066261 1064909506 /nfs/dbraw/zinc/90/95/06/1064909506.db2.gz LZVZTNUBJIECAO-ZYQDXHPFSA-N 1 1 489.749 4.960 20 0 JJADMO C[C@H](Oc1ccccc1Br)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001435658312 1064913530 /nfs/dbraw/zinc/91/35/30/1064913530.db2.gz YIXGNIGPSDOEQV-WCCBULMPSA-N 1 1 457.412 4.633 20 0 JJADMO C[C@H](Oc1cccc(Br)c1)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001435658470 1064913637 /nfs/dbraw/zinc/91/36/37/1064913637.db2.gz ZKQDYOKZIWFACQ-KMGZYFLFSA-N 1 1 457.412 4.633 20 0 JJADMO CC(C)(C)OC(=O)/C=C/c1cc(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)co1 ZINC001435661948 1064916443 /nfs/dbraw/zinc/91/64/43/1064916443.db2.gz KTZGYDXPDZCUAH-REKPFMLQSA-N 1 1 450.579 4.665 20 0 JJADMO CC(C)CC(=O)N1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001435669798 1064922889 /nfs/dbraw/zinc/92/28/89/1064922889.db2.gz SKWUTOMSSVCNDC-OAQYLSRUSA-N 1 1 454.442 4.501 20 0 JJADMO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC001435670189 1064923857 /nfs/dbraw/zinc/92/38/57/1064923857.db2.gz YCHKZWMZICTLQA-ROUUACIJSA-N 1 1 453.332 4.822 20 0 JJADMO CC(C)CSCCCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001360076601 1064926956 /nfs/dbraw/zinc/92/69/56/1064926956.db2.gz BSFSVZQYXYQTRM-NHCUHLMSSA-N 1 1 477.744 4.896 20 0 JJADMO CC(C)CSCCCn1c([C@H]2CCCOC2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001360076605 1064927023 /nfs/dbraw/zinc/92/70/23/1064927023.db2.gz BSFSVZQYXYQTRM-SFTDATJTSA-N 1 1 477.744 4.896 20 0 JJADMO CC(C)CSCCCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001360076600 1064927170 /nfs/dbraw/zinc/92/71/70/1064927170.db2.gz BSFSVZQYXYQTRM-LEWJYISDSA-N 1 1 477.744 4.896 20 0 JJADMO CC(C)CSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001360080097 1064936705 /nfs/dbraw/zinc/93/67/05/1064936705.db2.gz AFMHOPFGMCGKRS-UXHICEINSA-N 1 1 461.651 4.621 20 0 JJADMO CC(C)CSCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001360083005 1064944236 /nfs/dbraw/zinc/94/42/36/1064944236.db2.gz SYDORVMSSJETES-VXKWHMMOSA-N 1 1 458.720 4.764 20 0 JJADMO C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001435699446 1064945653 /nfs/dbraw/zinc/94/56/53/1064945653.db2.gz BJEHUPKIEBBXMT-ZTCOLXNVSA-N 1 1 457.659 4.877 20 0 JJADMO C[C@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001435705795 1064948507 /nfs/dbraw/zinc/94/85/07/1064948507.db2.gz QVCBXQQJLCUQBK-NKKJXINNSA-N 1 1 451.611 4.669 20 0 JJADMO CC(C)CSCCn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001360086011 1064948987 /nfs/dbraw/zinc/94/89/87/1064948987.db2.gz OAKWPKAWRVUXHP-JRFVFWCSSA-N 1 1 471.715 4.661 20 0 JJADMO COc1ccc(Br)cc1C1(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001435707782 1064949784 /nfs/dbraw/zinc/94/97/84/1064949784.db2.gz WFAQKACLBDGYTO-HKUYNNGSSA-N 1 1 457.412 4.516 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2Br)CC1 ZINC001360092418 1064961372 /nfs/dbraw/zinc/96/13/72/1064961372.db2.gz FHJSRNFSNGCLTD-UHFFFAOYSA-N 1 1 462.480 4.943 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(C2CCC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001360092500 1064961440 /nfs/dbraw/zinc/96/14/40/1064961440.db2.gz HTLWHCGSNXPPAJ-JOCHJYFZSA-N 1 1 494.728 4.813 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001360092568 1064962273 /nfs/dbraw/zinc/96/22/73/1064962273.db2.gz KEOUQEWQEMIPDZ-UHFFFAOYSA-N 1 1 491.080 4.680 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(N2CCOC[C@H](C3CCC3)C2)nnc1C(C)(C)C ZINC001360092580 1064962352 /nfs/dbraw/zinc/96/23/52/1064962352.db2.gz KQNLCRHYCMUPCU-XMMPIXPASA-N 1 1 453.675 4.717 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccsc1 ZINC001360092837 1064963948 /nfs/dbraw/zinc/96/39/48/1064963948.db2.gz UWCDOBBWVUTSPD-UHFFFAOYSA-N 1 1 460.651 4.850 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1cccs1 ZINC001360092886 1064964671 /nfs/dbraw/zinc/96/46/71/1064964671.db2.gz WFCOMLHNXPGXMX-QFIPXVFZSA-N 1 1 453.656 4.759 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001360092933 1064964721 /nfs/dbraw/zinc/96/47/21/1064964721.db2.gz XUYWPJANRHUZNK-AUSIDOKSSA-N 1 1 486.586 4.787 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(Cc2ccsc2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001360092924 1064964795 /nfs/dbraw/zinc/96/47/95/1064964795.db2.gz XQGRDLSIMVLXHR-DEOSSOPVSA-N 1 1 467.683 4.824 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccccc3Br)n2CCc2ccncc2)CC1 ZINC001360094577 1064966186 /nfs/dbraw/zinc/96/61/86/1064966186.db2.gz FEQIITDLSVOTAP-UHFFFAOYSA-N 1 1 497.485 4.902 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCOC3)n2CCCSc2ccccc2)CC1 ZINC001360094808 1064966584 /nfs/dbraw/zinc/96/65/84/1064966584.db2.gz MKDIFRPLYIFDIV-QFIPXVFZSA-N 1 1 457.688 4.521 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cccnc3)n2CCCc2cccc(F)c2)CC1 ZINC001360094890 1064967354 /nfs/dbraw/zinc/96/73/54/1064967354.db2.gz OWNAQURVRKXOPF-UHFFFAOYSA-N 1 1 450.606 4.669 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCSC2)CC1 ZINC001360095240 1064968210 /nfs/dbraw/zinc/96/82/10/1064968210.db2.gz BRQVNRKOGUOIOI-OAQYLSRUSA-N 1 1 475.678 4.696 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccccn3)n2CCc2ccc(F)cc2Cl)CC1 ZINC001360095161 1064968312 /nfs/dbraw/zinc/96/83/12/1064968312.db2.gz YUSYSNSJPCGTMY-UHFFFAOYSA-N 1 1 471.024 4.932 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC2CC2)CC1 ZINC001360095037 1064968558 /nfs/dbraw/zinc/96/85/58/1064968558.db2.gz UTLYJOHKEGCCJR-HSZRJFAPSA-N 1 1 488.721 4.749 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(CC3CC3)n2Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC001360095267 1064968607 /nfs/dbraw/zinc/96/86/07/1064968607.db2.gz CNVKKZPWCZUSOF-UHFFFAOYSA-N 1 1 479.591 4.777 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(CC(C)(C)C)n2Cc2cc(COC(C)(C)C)on2)CC1 ZINC001360095306 1064969258 /nfs/dbraw/zinc/96/92/58/1064969258.db2.gz DZZWMKYZMBHIDS-UHFFFAOYSA-N 1 1 474.694 4.775 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CC=CCC2)CC1 ZINC001360095417 1064969931 /nfs/dbraw/zinc/96/99/31/1064969931.db2.gz IHZLXPXNWKBHAO-OAQYLSRUSA-N 1 1 455.622 4.909 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2cc(C(C)(C)C)no2)CC1 ZINC001360095426 1064969969 /nfs/dbraw/zinc/96/99/69/1064969969.db2.gz INOJUZJTANGCCB-UHFFFAOYSA-N 1 1 498.647 4.887 20 0 JJADMO C[N@H+]1CC[C@H](CNC(=O)Cc2csc(Cc3ccccc3)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435749534 1064973338 /nfs/dbraw/zinc/97/33/38/1064973338.db2.gz NSWDWOJUALHIMO-KOSHJBKYSA-N 1 1 458.002 4.878 20 0 JJADMO C[N@H+]1CC[C@@H](CNC(=O)Cc2csc(Cc3ccccc3)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435749539 1064973373 /nfs/dbraw/zinc/97/33/73/1064973373.db2.gz NSWDWOJUALHIMO-MHECFPHRSA-N 1 1 458.002 4.878 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001360097316 1064973886 /nfs/dbraw/zinc/97/38/86/1064973886.db2.gz CQMVISLZHGOQHR-UHFFFAOYSA-N 1 1 487.983 4.836 20 0 JJADMO C[N@@H+]1CC[C@@H](CNC(=O)c2cn3cc(Cl)cc(Cl)c3n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435749982 1064973943 /nfs/dbraw/zinc/97/39/43/1064973943.db2.gz PKWJYLJYTNBIDJ-SGTLLEGYSA-N 1 1 455.748 4.856 20 0 JJADMO C[N@H+]1CC[C@@H](CNC(=O)c2cn3cc(Cl)cc(Cl)c3n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435749982 1064973953 /nfs/dbraw/zinc/97/39/53/1064973953.db2.gz PKWJYLJYTNBIDJ-SGTLLEGYSA-N 1 1 455.748 4.856 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001360097261 1064973985 /nfs/dbraw/zinc/97/39/85/1064973985.db2.gz BEYRJTIIYNJSSP-HXUWFJFHSA-N 1 1 478.479 4.689 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001360097448 1064974969 /nfs/dbraw/zinc/97/49/69/1064974969.db2.gz HYRAFCOVTMBTKY-IBGZPJMESA-N 1 1 491.080 4.680 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001360097730 1064976469 /nfs/dbraw/zinc/97/64/69/1064976469.db2.gz AMXUHJFFLIRQJR-LJQANCHMSA-N 1 1 491.080 4.680 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccccc2Br)nnc1N(C)CC1CC(F)C1 ZINC001360098237 1064977106 /nfs/dbraw/zinc/97/71/06/1064977106.db2.gz LOPAQARZMCLYPO-UHFFFAOYSA-N 1 1 452.416 4.622 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccccn2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC001360098140 1064977416 /nfs/dbraw/zinc/97/74/16/1064977416.db2.gz HXNSKGDEDRSVRF-DEOSSOPVSA-N 1 1 483.060 4.674 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1CCN(Cc2ccsc2)CC1 ZINC001360098194 1064977429 /nfs/dbraw/zinc/97/74/29/1064977429.db2.gz KAGVFSNAVJFZCY-UHFFFAOYSA-N 1 1 473.090 4.713 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC001360099853 1064979319 /nfs/dbraw/zinc/97/93/19/1064979319.db2.gz CSYABFOAEHLYHC-MSOLQXFVSA-N 1 1 468.067 4.543 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001360100855 1064979881 /nfs/dbraw/zinc/97/98/81/1064979881.db2.gz WVAZZMIIKBVFFH-SFHVURJKSA-N 1 1 471.543 4.697 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)c1ccco1 ZINC001360100451 1064980291 /nfs/dbraw/zinc/98/02/91/1064980291.db2.gz MUODJUBLXLTQJF-SFTDATJTSA-N 1 1 488.677 4.913 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 ZINC001360101067 1064981082 /nfs/dbraw/zinc/98/10/82/1064981082.db2.gz DLXKIWKGTWCXEC-UHFFFAOYSA-N 1 1 499.585 4.902 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC001360101740 1064981955 /nfs/dbraw/zinc/98/19/55/1064981955.db2.gz YVWUEBDOGVMIHU-GOSISDBHSA-N 1 1 480.103 4.954 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)c1ccccc1 ZINC001360103861 1064984161 /nfs/dbraw/zinc/98/41/61/1064984161.db2.gz AULZOSSJDLAJME-QGZVFWFLSA-N 1 1 459.436 4.584 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)c1ccc(F)cc1 ZINC001360104200 1064984790 /nfs/dbraw/zinc/98/47/90/1064984790.db2.gz MRKKMGVKOIRNBO-OAHLLOKOSA-N 1 1 463.399 4.712 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC([C@H]2CCCO2)CC1 ZINC001360104132 1064984891 /nfs/dbraw/zinc/98/48/91/1064984891.db2.gz KOWWGRQSOXWQTQ-OAQYLSRUSA-N 1 1 494.453 4.582 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC001360106446 1064987817 /nfs/dbraw/zinc/98/78/17/1064987817.db2.gz DALKEURCFLTFAW-HXUWFJFHSA-N 1 1 485.007 4.572 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 ZINC001360106476 1064987914 /nfs/dbraw/zinc/98/79/14/1064987914.db2.gz DONPIWZPIRSERC-IBGZPJMESA-N 1 1 473.090 4.883 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC001360106828 1064989007 /nfs/dbraw/zinc/98/90/07/1064989007.db2.gz SPGQFPWDUYTRPX-LJQANCHMSA-N 1 1 495.981 4.996 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001360106965 1064989089 /nfs/dbraw/zinc/98/90/89/1064989089.db2.gz XWIYURZYSLNKJE-NRFANRHFSA-N 1 1 468.671 4.617 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(CC2CCCC2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC001360112981 1064994057 /nfs/dbraw/zinc/99/40/57/1064994057.db2.gz PHNITNNNGQTWPW-QFIPXVFZSA-N 1 1 455.622 4.589 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001360112873 1064994189 /nfs/dbraw/zinc/99/41/89/1064994189.db2.gz MXQZNVRDPRYWEJ-UHFFFAOYSA-N 1 1 457.516 4.505 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccc[nH]3)cc2)C[C@H](C)O1 ZINC001435798655 1064996307 /nfs/dbraw/zinc/99/63/07/1064996307.db2.gz OMFQMUNPZQQTFX-CALCHBBNSA-N 1 1 451.954 4.761 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccc[nH]3)cc2)C[C@H](C)O1 ZINC001435798655 1064996318 /nfs/dbraw/zinc/99/63/18/1064996318.db2.gz OMFQMUNPZQQTFX-CALCHBBNSA-N 1 1 451.954 4.761 20 0 JJADMO CC[NH+](CC)[C@H](C(=O)Nc1ccc(CN(C)C(=O)OC)cc1)c1cccc(C(F)(F)F)c1 ZINC001360114766 1064997191 /nfs/dbraw/zinc/99/71/91/1064997191.db2.gz WUNOVPGEXFYRLS-FQEVSTJZSA-N 1 1 451.489 4.925 20 0 JJADMO CCCN(C(=O)c1cc2c(cc1Br)OCO2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001360129233 1065024943 /nfs/dbraw/zinc/02/49/43/1065024943.db2.gz HLZOOPDHTWCAOW-SFHVURJKSA-N 1 1 459.384 4.695 20 0 JJADMO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)c1 ZINC001360132876 1065027842 /nfs/dbraw/zinc/02/78/42/1065027842.db2.gz YKLXGWBKLHAMJC-BJKOFHAPSA-N 1 1 457.659 4.939 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cc(Br)cn3C)nnc2N(C)C2CCCCC2)C1 ZINC001360138500 1065034037 /nfs/dbraw/zinc/03/40/37/1065034037.db2.gz HDYJEKUKRVLFEV-GOSISDBHSA-N 1 1 477.495 4.935 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)CCC2CCOCC2)C1 ZINC001360138474 1065034403 /nfs/dbraw/zinc/03/44/03/1065034403.db2.gz GUQMGQXZWDVEFK-NRFANRHFSA-N 1 1 491.627 4.920 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3ccccc3Br)nnc2N2CCC(F)(F)C2)C1 ZINC001360139244 1065035420 /nfs/dbraw/zinc/03/54/20/1065035420.db2.gz PLKKRFREJCAXQY-INIZCTEOSA-N 1 1 468.390 4.673 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cccnc3)nnc2N(C)Cc2ccc(Cl)c(F)c2)C1 ZINC001360139873 1065036742 /nfs/dbraw/zinc/03/67/42/1065036742.db2.gz VSLYMTIYCNEIBN-IBGZPJMESA-N 1 1 456.997 4.889 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)C1 ZINC001360140644 1065038081 /nfs/dbraw/zinc/03/80/81/1065038081.db2.gz HZIYHPQUBYZJPA-PVQFMVPOSA-N 1 1 499.750 4.986 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCSCC2)C1 ZINC001360140603 1065038301 /nfs/dbraw/zinc/03/83/01/1065038301.db2.gz HIMWGDJWXGJZQI-QGZVFWFLSA-N 1 1 484.497 4.838 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@@H](C)c2ccccc2)C1 ZINC001360140545 1065038413 /nfs/dbraw/zinc/03/84/13/1065038413.db2.gz GHARBGUMTYDFTH-SFTDATJTSA-N 1 1 480.682 4.587 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(COc3ccccc3F)nnc2N(C)CC2CC(F)(F)C2)C1 ZINC001360141094 1065039718 /nfs/dbraw/zinc/03/97/18/1065039718.db2.gz MEMZBOKDFOYAPH-GOSISDBHSA-N 1 1 465.564 4.598 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2cccc(OC(F)F)c2)C1 ZINC001360141561 1065040158 /nfs/dbraw/zinc/04/01/58/1065040158.db2.gz QJKWQBPMKPBRQS-SFTDATJTSA-N 1 1 477.600 4.530 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(Cc3cccnc3)nnc2N(C)[C@H](C)c2cc(F)ccc2F)C1 ZINC001360141916 1065040767 /nfs/dbraw/zinc/04/07/67/1065040767.db2.gz STZZKTHOXIKTNV-TZIWHRDSSA-N 1 1 468.596 4.860 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(N3CCC(CO)(Cc4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001360141666 1065041016 /nfs/dbraw/zinc/04/10/16/1065041016.db2.gz RFMBCRXVRNOHML-XMMPIXPASA-N 1 1 467.702 4.518 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(N3CCC(CO)(Cc4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001360141664 1065041227 /nfs/dbraw/zinc/04/12/27/1065041227.db2.gz RFMBCRXVRNOHML-DEOSSOPVSA-N 1 1 467.702 4.518 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)C1 ZINC001360142233 1065041756 /nfs/dbraw/zinc/04/17/56/1065041756.db2.gz VOTWSVOOPZPGPK-WXVAWEFUSA-N 1 1 488.120 4.824 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCCCO3)nnc2N(C)CCCOc2ccccc2)C1 ZINC001360142451 1065042274 /nfs/dbraw/zinc/04/22/74/1065042274.db2.gz WNEBXHAYJNMEQJ-VWNXMTODSA-N 1 1 455.647 4.545 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@@H]3CCCCO3)nnc2N(C)CCCOc2ccccc2)C1 ZINC001360142450 1065042474 /nfs/dbraw/zinc/04/24/74/1065042474.db2.gz WNEBXHAYJNMEQJ-UPVQGACJSA-N 1 1 455.647 4.545 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(COc3ccc(Br)cc3)nnc2N2CCC[C@@H]2C)C1 ZINC001360142486 1065042614 /nfs/dbraw/zinc/04/26/14/1065042614.db2.gz XIWDEIJYZYBJTF-RBUKOAKNSA-N 1 1 476.463 4.729 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001360143256 1065043108 /nfs/dbraw/zinc/04/31/08/1065043108.db2.gz CJHVBVHVMRWUIV-GOSISDBHSA-N 1 1 452.981 4.740 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Br)s3)n2CCCC2CCOCC2)CC1 ZINC001360143868 1065044520 /nfs/dbraw/zinc/04/45/20/1065044520.db2.gz ORGXWZANFYFTAH-UHFFFAOYSA-N 1 1 496.519 4.896 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccccc2Br)CC1 ZINC001360144193 1065045227 /nfs/dbraw/zinc/04/52/27/1065045227.db2.gz WLBGHLURKBTAMI-UHFFFAOYSA-N 1 1 489.849 4.725 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cccn3C)n2Cc2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC001360144424 1065046232 /nfs/dbraw/zinc/04/62/32/1065046232.db2.gz HYAOZJYJHKAEKD-UHFFFAOYSA-N 1 1 493.656 4.599 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(C3CC3)n2C[C@H](F)c2ccc(Br)cc2)CC1 ZINC001360144274 1065046312 /nfs/dbraw/zinc/04/63/12/1065046312.db2.gz DPLLACZOGNTNCV-IBGZPJMESA-N 1 1 450.400 4.549 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CC=CCC2)CC1 ZINC001360146209 1065048074 /nfs/dbraw/zinc/04/80/74/1065048074.db2.gz GNJWSCQOIJAWPC-GOTSBHOMSA-N 1 1 486.705 4.669 20 0 JJADMO CC(C)[N@@H+]1CCCN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccco2)N2CCCCC2)CC1 ZINC001360146741 1065048517 /nfs/dbraw/zinc/04/85/17/1065048517.db2.gz USRDAWYNSMVQAA-JOCHJYFZSA-N 1 1 456.679 4.607 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccco2)N2CCCCC2)CC1 ZINC001360146741 1065048530 /nfs/dbraw/zinc/04/85/30/1065048530.db2.gz USRDAWYNSMVQAA-JOCHJYFZSA-N 1 1 456.679 4.607 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCCCO3)n2Cc2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC001360146696 1065048944 /nfs/dbraw/zinc/04/89/44/1065048944.db2.gz SWUKQZDUMOIACN-HSZRJFAPSA-N 1 1 498.672 4.836 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(Cc3ccsc3)n2CCSCc2ccccc2F)CC1 ZINC001360146936 1065049435 /nfs/dbraw/zinc/04/94/35/1065049435.db2.gz ASDDIUCCAPTQIE-UHFFFAOYSA-N 1 1 473.687 4.923 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(O)CCC[C@@H]2C)CC1 ZINC001360147305 1065050039 /nfs/dbraw/zinc/05/00/39/1065050039.db2.gz PSHVFSZVPKMKJJ-UUOWRZLLSA-N 1 1 496.483 4.636 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(CC3CC3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CC1 ZINC001360147288 1065050385 /nfs/dbraw/zinc/05/03/85/1065050385.db2.gz PCCRBMDRDYPOBM-OAQYLSRUSA-N 1 1 453.528 4.772 20 0 JJADMO CC(C)N1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001360149373 1065052392 /nfs/dbraw/zinc/05/23/92/1065052392.db2.gz MFPPSFSQOGLSPQ-UHFFFAOYSA-N 1 1 484.689 4.931 20 0 JJADMO CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2cccs2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001360163097 1065061824 /nfs/dbraw/zinc/06/18/24/1065061824.db2.gz ZFZQJXYTIJZIHC-APWZRJJASA-N 1 1 475.062 4.632 20 0 JJADMO Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001435933520 1065070048 /nfs/dbraw/zinc/07/00/48/1065070048.db2.gz HTABHMAGILPZFM-XMMPIXPASA-N 1 1 459.512 4.528 20 0 JJADMO C[NH+](C)[C@@H](C(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)c1cccc(Cl)c1 ZINC001435935582 1065071380 /nfs/dbraw/zinc/07/13/80/1065071380.db2.gz YLNBHSSHHPMTGG-DNQXCXABSA-N 1 1 450.966 4.586 20 0 JJADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001360215254 1065083893 /nfs/dbraw/zinc/08/38/93/1065083893.db2.gz YCLNSOUHEYEITQ-QHCPKHFHSA-N 1 1 451.611 4.696 20 0 JJADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001360222553 1065087022 /nfs/dbraw/zinc/08/70/22/1065087022.db2.gz UGFSMKVBSLVYDK-JSXRDJHFSA-N 1 1 498.638 4.801 20 0 JJADMO CC(C)NC(=O)c1nnc(N2CCC[C@H]2c2cccs2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001360226096 1065089007 /nfs/dbraw/zinc/08/90/07/1065089007.db2.gz GQXRYRMWTWYHHI-VQTJNVASSA-N 1 1 487.073 4.776 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)C1CC1 ZINC001435989965 1065095532 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NJCKCPOCFIQKQF-KCWPFWIISA-N 1 1 475.722 4.846 20 0 JJADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2oc3c(cc(Br)cc3C)c2C)[C@@H](C)C1 ZINC001360358378 1065210543 /nfs/dbraw/zinc/21/05/43/1065210543.db2.gz DVNIQGXFULMPAZ-HNAYVOBHSA-N 1 1 451.405 4.679 20 0 JJADMO CC(C)Oc1cccc(CN(C)c2nnc(CC(C)(C)C)n2C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC001360360643 1065214307 /nfs/dbraw/zinc/21/43/07/1065214307.db2.gz YAJRSRRBUKCJMR-NRFANRHFSA-N 1 1 450.631 4.749 20 0 JJADMO CC(C)OC[C@@H]1CN(c2nnc(C(C)(C)C)n2CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCO1 ZINC001360367348 1065226097 /nfs/dbraw/zinc/22/60/97/1065226097.db2.gz HERZQYQYALSWOD-CAOCKLPOSA-N 1 1 483.701 4.507 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C)CC2)n1C[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001545895914 1065231657 /nfs/dbraw/zinc/23/16/57/1065231657.db2.gz HYJZMIQDMQQTSU-PXDATVDWSA-N 1 1 480.701 4.660 20 0 JJADMO CCC[N@@H+](C)[C@H](CNC(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC001436197534 1065244719 /nfs/dbraw/zinc/24/47/19/1065244719.db2.gz 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CN(c1nc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)cs1)c1ccccc1 ZINC001439272773 1065809058 /nfs/dbraw/zinc/80/90/58/1065809058.db2.gz KTUXQQQSXLZEDQ-RTBURBONSA-N 1 1 460.525 4.704 20 0 JJADMO CN(c1nc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)cs1)c1ccccc1 ZINC001439272773 1065809072 /nfs/dbraw/zinc/80/90/72/1065809072.db2.gz KTUXQQQSXLZEDQ-RTBURBONSA-N 1 1 460.525 4.704 20 0 JJADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCCCCO ZINC001360757419 1065818664 /nfs/dbraw/zinc/81/86/64/1065818664.db2.gz AYBCWAFEUZRFPX-IBGZPJMESA-N 1 1 464.054 4.545 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2=CCCOC2)CC1 ZINC001360758355 1065824034 /nfs/dbraw/zinc/82/40/34/1065824034.db2.gz QXEPNANAJMORDL-FQEVSTJZSA-N 1 1 488.076 4.975 20 0 JJADMO CC(C)[NH+](CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2CCCC[C@@H]2C1)C(C)C ZINC001360761172 1065836227 /nfs/dbraw/zinc/83/62/27/1065836227.db2.gz ZVRFWBWOIQEVAU-FYYLOGMGSA-N 1 1 489.108 4.865 20 0 JJADMO CC(C)[NH+](CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2CCCC[C@H]2C1)C(C)C ZINC001360761174 1065837231 /nfs/dbraw/zinc/83/72/31/1065837231.db2.gz ZVRFWBWOIQEVAU-GMAHTHKFSA-N 1 1 489.108 4.865 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001360763533 1065843515 /nfs/dbraw/zinc/84/35/15/1065843515.db2.gz XSLOQZIHBXEWOG-PLACYPQZSA-N 1 1 476.065 4.806 20 0 JJADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2cccc(-c3cccc(Br)c3)c2)cn1 ZINC001439601969 1065846948 /nfs/dbraw/zinc/84/69/48/1065846948.db2.gz WHVBABQOCUBHMY-FGZHOGPDSA-N 1 1 453.384 4.524 20 0 JJADMO CC(C)[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CC1CCCCC1)[NH+]1CCOCC1 ZINC001360765620 1065850439 /nfs/dbraw/zinc/85/04/39/1065850439.db2.gz VMCFFHTUGXQBSZ-QPPBQGQZSA-N 1 1 487.664 4.931 20 0 JJADMO C[C@H](Oc1ccccc1F)c1nnc(N(C)CCOC(C)(C)C)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001360767950 1065858210 /nfs/dbraw/zinc/85/82/10/1065858210.db2.gz WCSUIHPWCLKIPR-OALUTQOASA-N 1 1 470.593 4.583 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CC(F)(F)CO2)CC1 ZINC001360769011 1065859600 /nfs/dbraw/zinc/85/96/00/1065859600.db2.gz BYNWGXSBGFLQAB-UYAOXDASSA-N 1 1 495.590 4.538 20 0 JJADMO CC(C)[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C)C(C)(C)C1)[NH+]1CCOCC1 ZINC001360769696 1065862762 /nfs/dbraw/zinc/86/27/62/1065862762.db2.gz MAVOCOUPDQQENP-FUDKSRODSA-N 1 1 487.664 4.786 20 0 JJADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCCC(C)(C)C ZINC001360769646 1065862784 /nfs/dbraw/zinc/86/27/84/1065862784.db2.gz LNMYJONHCUKTKB-RTWAWAEBSA-N 1 1 473.637 4.542 20 0 JJADMO CC(C)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001360770060 1065864643 /nfs/dbraw/zinc/86/46/43/1065864643.db2.gz SFLIGTWAKVHHSH-FQEVSTJZSA-N 1 1 473.637 4.540 20 0 JJADMO CC(C)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001360770060 1065864653 /nfs/dbraw/zinc/86/46/53/1065864653.db2.gz SFLIGTWAKVHHSH-FQEVSTJZSA-N 1 1 473.637 4.540 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(O)CCCCCC2)CC1 ZINC001360773186 1065871205 /nfs/dbraw/zinc/87/12/05/1065871205.db2.gz HHKHPIWMCKDGTP-NRFANRHFSA-N 1 1 473.637 4.563 20 0 JJADMO C[C@H]1[C@@H](C(=O)N[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001439758851 1065871938 /nfs/dbraw/zinc/87/19/38/1065871938.db2.gz VRVXSBSPHOPYTP-HTBDAHHQSA-N 1 1 477.649 4.806 20 0 JJADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC(C)(C)O)CC1 ZINC001360774801 1065874617 /nfs/dbraw/zinc/87/46/17/1065874617.db2.gz TZSGPOJCLBMJEW-MOPGFXCFSA-N 1 1 487.645 4.663 20 0 JJADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCSC[C@@H]2C)n1CC[N@@H+](C)C1CCCCC1 ZINC001360778205 1065883817 /nfs/dbraw/zinc/88/38/17/1065883817.db2.gz LTLNWAZMNPQCGL-RBUKOAKNSA-N 1 1 461.651 4.763 20 0 JJADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCSC[C@H]2C)n1CC[N@@H+](C)C1CCCCC1 ZINC001360778203 1065883879 /nfs/dbraw/zinc/88/38/79/1065883879.db2.gz LTLNWAZMNPQCGL-MOPGFXCFSA-N 1 1 461.651 4.763 20 0 JJADMO Cc1nn(C)c(Cl)c1COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001360787607 1065900392 /nfs/dbraw/zinc/90/03/92/1065900392.db2.gz YBWGJPBNDHODKK-LEWJYISDSA-N 1 1 458.389 4.994 20 0 JJADMO CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001440048068 1065906409 /nfs/dbraw/zinc/90/64/09/1065906409.db2.gz RZEPJQFGWIOPLN-HVWQDESWSA-N 1 1 477.649 4.744 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCCCCC3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001360808049 1065920047 /nfs/dbraw/zinc/92/00/47/1065920047.db2.gz DKJPDYFNIDOLBH-QFIPXVFZSA-N 1 1 488.721 4.895 20 0 JJADMO CC(C)(C)c1nnc(N(Cc2ccccc2)C[C@H]2CCCO2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360808525 1065921404 /nfs/dbraw/zinc/92/14/04/1065921404.db2.gz OPELFMNBTWIGSV-HSZRJFAPSA-N 1 1 453.675 4.883 20 0 JJADMO CC(C)(C)c1nnc(N2CC[C@@H](COCc3ccccc3)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360808703 1065922241 /nfs/dbraw/zinc/92/22/41/1065922241.db2.gz RQLUMXIMOVDRKS-HSZRJFAPSA-N 1 1 453.675 4.741 20 0 JJADMO Cc1cccc(-c2nc(CC(=O)N[C@]3(C(F)(F)F)CC[N@H+](Cc4ccccc4)C3)cs2)c1 ZINC001440294875 1065928540 /nfs/dbraw/zinc/92/85/40/1065928540.db2.gz HQOTVUNPVDDSJY-HSZRJFAPSA-N 1 1 459.537 4.984 20 0 JJADMO Cc1cccc(-c2nc(CC(=O)N[C@]3(C(F)(F)F)CC[N@@H+](Cc4ccccc4)C3)cs2)c1 ZINC001440294875 1065928553 /nfs/dbraw/zinc/92/85/53/1065928553.db2.gz HQOTVUNPVDDSJY-HSZRJFAPSA-N 1 1 459.537 4.984 20 0 JJADMO CC(C)(C)c1ccc(OCc2nnc(N3CCC(C)(C)CC3)n2CC(C)(C)[NH+]2CCOCC2)cc1 ZINC001360816993 1065929484 /nfs/dbraw/zinc/92/94/84/1065929484.db2.gz BDQQRAILAZRNPO-UHFFFAOYSA-N 1 1 483.701 4.892 20 0 JJADMO O=C(N[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1cccc(OCc2cccnc2)c1 ZINC001440301426 1065929562 /nfs/dbraw/zinc/92/95/62/1065929562.db2.gz STDPCQAPZSCLJQ-XMMPIXPASA-N 1 1 455.480 4.597 20 0 JJADMO O=C(N[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1cccc(OCc2cccnc2)c1 ZINC001440301426 1065929575 /nfs/dbraw/zinc/92/95/75/1065929575.db2.gz STDPCQAPZSCLJQ-XMMPIXPASA-N 1 1 455.480 4.597 20 0 JJADMO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(-c3ccc(Br)cc3)n2C)CC1 ZINC001440440528 1065941436 /nfs/dbraw/zinc/94/14/36/1065941436.db2.gz ZSPLAMNMKKUWPQ-UHFFFAOYSA-N 1 1 452.396 4.721 20 0 JJADMO COc1ccc(CN(C)C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)cc1OC ZINC001440510400 1065945928 /nfs/dbraw/zinc/94/59/28/1065945928.db2.gz MECFLBZMTOEJMW-FGZHOGPDSA-N 1 1 450.604 4.640 20 0 JJADMO CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001440554784 1065949148 /nfs/dbraw/zinc/94/91/48/1065949148.db2.gz HAPMTSBTWORFKO-BJKOFHAPSA-N 1 1 453.508 4.975 20 0 JJADMO O=C(c1ccc(OCC(F)(F)F)cn1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC001440563766 1065949983 /nfs/dbraw/zinc/94/99/83/1065949983.db2.gz CUYGZLMXAOSIBU-UHFFFAOYSA-N 1 1 455.480 4.570 20 0 JJADMO CC1=C(Br)CN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001360852006 1065966877 /nfs/dbraw/zinc/96/68/77/1065966877.db2.gz VDHNYJWLDORBSC-UHFFFAOYSA-N 1 1 479.854 4.747 20 0 JJADMO Cc1cccc(-c2nnc(N3CCC(C)=C(Br)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC001360853235 1065968951 /nfs/dbraw/zinc/96/89/51/1065968951.db2.gz HHKQZFFBFFWREU-FQEVSTJZSA-N 1 1 473.463 4.648 20 0 JJADMO CC1=C(Br)CN(c2nnc([C@H]3CCCCO3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001360854461 1065973405 /nfs/dbraw/zinc/97/34/05/1065973405.db2.gz ZSYYBYOATUHRSV-UYAOXDASSA-N 1 1 466.468 4.663 20 0 JJADMO Cc1ccccc1Cc1nnc(N2CCC(C)=C(Br)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001360854476 1065974101 /nfs/dbraw/zinc/97/41/01/1065974101.db2.gz WUNVMICMCNTHHL-LJQANCHMSA-N 1 1 458.448 4.541 20 0 JJADMO Cc1cccc(OCc2nnc(N3CCC(C)=C(Br)C3)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001360858029 1065976847 /nfs/dbraw/zinc/97/68/47/1065976847.db2.gz WAKQGPAZTOQDLF-IBGZPJMESA-N 1 1 474.447 4.529 20 0 JJADMO Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCCC[N@@H+]2CCCC[C@H]2C)c1C ZINC001360862106 1065979902 /nfs/dbraw/zinc/97/99/02/1065979902.db2.gz FTRSJZCWJUYCFM-JOCHJYFZSA-N 1 1 489.668 4.686 20 0 JJADMO Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCCC[C@H]2C)c1C ZINC001360862428 1065980646 /nfs/dbraw/zinc/98/06/46/1065980646.db2.gz QNEGHFFBDUXYGA-HXUWFJFHSA-N 1 1 454.663 4.532 20 0 JJADMO C[C@@H]1C[N@H+](CCCNC(=O)[C@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)C[C@H](C)O1 ZINC001440830339 1065982379 /nfs/dbraw/zinc/98/23/79/1065982379.db2.gz TVEGAAOFNPXZRN-HYFFOGBASA-N 1 1 451.394 4.729 20 0 JJADMO Cc1ccc(C2(C(=O)NCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CCCCC2)c(Br)c1 ZINC001440830483 1065982578 /nfs/dbraw/zinc/98/25/78/1065982578.db2.gz URTHZVDLGLHSNG-KDURUIRLSA-N 1 1 451.449 4.575 20 0 JJADMO Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCCC[N@@H+]2CCCC[C@H]2C)c1C ZINC001360864779 1065983265 /nfs/dbraw/zinc/98/32/65/1065983265.db2.gz IHJJGCMTMUSQJW-RDGATRHJSA-N 1 1 496.700 4.866 20 0 JJADMO O=C(CCc1cc(Br)ccc1F)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC001440862551 1065984229 /nfs/dbraw/zinc/98/42/29/1065984229.db2.gz BUUJXKWPZOBFCQ-UHFFFAOYSA-N 1 1 453.783 4.909 20 0 JJADMO O=C(CCc1cc(Br)ccc1F)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC001440862551 1065984238 /nfs/dbraw/zinc/98/42/38/1065984238.db2.gz BUUJXKWPZOBFCQ-UHFFFAOYSA-N 1 1 453.783 4.909 20 0 JJADMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(C(=O)NCc4cccc(C)c4)cc3)CC2)cc1 ZINC001440862638 1065984330 /nfs/dbraw/zinc/98/43/30/1065984330.db2.gz CNOVEMMFEDEFMT-UHFFFAOYSA-N 1 1 455.602 4.582 20 0 JJADMO CCC(CC)(C(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1)c1ccc(OC)c(OC)c1 ZINC001440870224 1065986132 /nfs/dbraw/zinc/98/61/32/1065986132.db2.gz GFNDKFQYWPHEQU-UHFFFAOYSA-N 1 1 454.611 4.505 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC001440869304 1065986273 /nfs/dbraw/zinc/98/62/73/1065986273.db2.gz AXIALZJXIYCNHV-QFIPXVFZSA-N 1 1 458.002 4.640 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC001440869304 1065986283 /nfs/dbraw/zinc/98/62/83/1065986283.db2.gz AXIALZJXIYCNHV-QFIPXVFZSA-N 1 1 458.002 4.640 20 0 JJADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(Sc3ccc(C)c(C)c3)cc2)CC1=O ZINC001440911677 1065993408 /nfs/dbraw/zinc/99/34/08/1065993408.db2.gz DAVFBJMFNDWWJB-IFMALSPDSA-N 1 1 451.636 4.726 20 0 JJADMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(Sc3ccc(C)c(C)c3)cc2)CC1=O ZINC001440911692 1065993481 /nfs/dbraw/zinc/99/34/81/1065993481.db2.gz DAVFBJMFNDWWJB-UNMCSNQZSA-N 1 1 451.636 4.726 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3C[C@@H](C)OC4(CCOCC4)C3)n2CCC[N@H+](C)C(C)C)c1C ZINC001360868925 1065994945 /nfs/dbraw/zinc/99/49/45/1065994945.db2.gz CGLDXYOREJFFGX-VWNXMTODSA-N 1 1 499.700 4.540 20 0 JJADMO CCOc1cc(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c(OCC)cc1NC(=O)c1ccccc1 ZINC001440954323 1065996801 /nfs/dbraw/zinc/99/68/01/1065996801.db2.gz PFNLWEOFWSGXFD-CEXWTWQISA-N 1 1 453.583 4.936 20 0 JJADMO CCOc1cc(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c(OCC)cc1NC(=O)c1ccccc1 ZINC001440954330 1065996897 /nfs/dbraw/zinc/99/68/97/1065996897.db2.gz PFNLWEOFWSGXFD-OTWHNJEPSA-N 1 1 453.583 4.936 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CC[N@H+](C)C(C)C)c1C ZINC001360869783 1065999113 /nfs/dbraw/zinc/99/91/13/1065999113.db2.gz JZIOXOGHEKWZEE-YFVAEKQCSA-N 1 1 483.579 4.531 20 0 JJADMO CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC001441062079 1066004675 /nfs/dbraw/zinc/00/46/75/1066004675.db2.gz RTUZOUWCBXGEIX-CYFREDJKSA-N 1 1 454.590 4.520 20 0 JJADMO CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC001441062089 1066005260 /nfs/dbraw/zinc/00/52/60/1066005260.db2.gz RTUZOUWCBXGEIX-YADARESESA-N 1 1 454.590 4.520 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C(C)C)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545937958 1066005604 /nfs/dbraw/zinc/00/56/04/1066005604.db2.gz FZSCLZFDCOMYKX-VWPQPMDRSA-N 1 1 492.778 4.531 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCCC[C@H](C)C3)n2CCCC[N@H+]2CCC[C@H]2CO)c1C ZINC001360873971 1066011238 /nfs/dbraw/zinc/01/12/38/1066011238.db2.gz IYLUDAMJTIMILT-GPUOULLFSA-N 1 1 483.701 4.898 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H]3C(C)C)n2C[C@H](C)C[NH+]2CCOCC2)c1C ZINC001360873966 1066011345 /nfs/dbraw/zinc/01/13/45/1066011345.db2.gz IVLRUSBSOJQYNZ-AGILITTLSA-N 1 1 469.674 4.628 20 0 JJADMO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc(Oc2ccccc2Cl)cc1 ZINC001441187728 1066012943 /nfs/dbraw/zinc/01/29/43/1066012943.db2.gz NRWRYSPDLIXANA-UHFFFAOYSA-N 1 1 453.945 4.823 20 0 JJADMO COc1ccc(C(NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)c2ccc(OC)cc2)cc1 ZINC001441186041 1066013067 /nfs/dbraw/zinc/01/30/67/1066013067.db2.gz BXSVBJBHTHEGLI-VWLOTQADSA-N 1 1 458.602 4.864 20 0 JJADMO O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001441191047 1066014012 /nfs/dbraw/zinc/01/40/12/1066014012.db2.gz CANCRIHNLBLFCJ-BENRWUELSA-N 1 1 453.558 4.645 20 0 JJADMO CCc1nc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nn1-c1c(Cl)cccc1Cl ZINC001441225340 1066016870 /nfs/dbraw/zinc/01/68/70/1066016870.db2.gz LINZFFSKDDXUDO-QGZVFWFLSA-N 1 1 458.393 4.531 20 0 JJADMO CCN1CC[NH+](Cc2ccc(NC(=O)CCCOc3ccc(Cl)cc3Cl)cc2)CC1 ZINC001441302375 1066023926 /nfs/dbraw/zinc/02/39/26/1066023926.db2.gz AJGNKFPIVYTKLN-UHFFFAOYSA-N 1 1 450.410 4.929 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CC[N@H+](C4CCC4)C[C@H](C)C3)n2CC(F)(F)F)c1C ZINC001360877676 1066024060 /nfs/dbraw/zinc/02/40/60/1066024060.db2.gz NNSLTELOCNOOIJ-QFBILLFUSA-N 1 1 465.564 4.908 20 0 JJADMO CCN1CC[NH+](Cc2ccc(NC(=O)c3csc(Nc4cc(F)cc(F)c4)n3)cc2)CC1 ZINC001441307714 1066024145 /nfs/dbraw/zinc/02/41/45/1066024145.db2.gz HCMLDYACZUGJFJ-UHFFFAOYSA-N 1 1 457.550 4.555 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCCOCC3)n2CCC[N@@H+](C)C2CCCCC2)c1C ZINC001360878600 1066026549 /nfs/dbraw/zinc/02/65/49/1066026549.db2.gz WOTUIWVHAMYHOC-QHCPKHFHSA-N 1 1 469.674 4.916 20 0 JJADMO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cnc2ncc(Br)cc2c1 ZINC001441345692 1066031339 /nfs/dbraw/zinc/03/13/39/1066031339.db2.gz ZZCVRKCRTCANQI-IBGZPJMESA-N 1 1 459.775 4.613 20 0 JJADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@]2(C)CC(c3cccc(Cl)c3F)=NO2)C1 ZINC001441355476 1066033245 /nfs/dbraw/zinc/03/32/45/1066033245.db2.gz NKLOJKCQADBFLU-GKVSMKOHSA-N 1 1 457.977 4.911 20 0 JJADMO Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)O2 ZINC001441358282 1066033570 /nfs/dbraw/zinc/03/35/70/1066033570.db2.gz SQSODEUGEDRLRU-JMQGSBJISA-N 1 1 450.623 4.949 20 0 JJADMO CN1CC[NH+](Cc2ccc(CNC(=O)c3ccc(Sc4ccc(Cl)cc4)o3)cc2)CC1 ZINC001441365825 1066034983 /nfs/dbraw/zinc/03/49/83/1066034983.db2.gz LETJFVQATONPKB-UHFFFAOYSA-N 1 1 456.011 4.762 20 0 JJADMO CC1=C(C)CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001360882824 1066036251 /nfs/dbraw/zinc/03/62/51/1066036251.db2.gz AIHQAHAZGMMSNA-SANMLTNESA-N 1 1 459.679 4.520 20 0 JJADMO C[N@@H+](CC(=O)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1)C1CCC1 ZINC001441462978 1066043009 /nfs/dbraw/zinc/04/30/09/1066043009.db2.gz HJTCDGLGUWSJDF-FQEVSTJZSA-N 1 1 452.451 4.755 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)C1 ZINC001441469799 1066044017 /nfs/dbraw/zinc/04/40/17/1066044017.db2.gz XKNGOLGLWZUOBQ-VNHKHXMHSA-N 1 1 457.659 4.720 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3cnn4cccc(Br)c34)cc2)C1 ZINC001441475874 1066044974 /nfs/dbraw/zinc/04/49/74/1066044974.db2.gz BBTHQXBQGPGDGG-CALCHBBNSA-N 1 1 455.400 4.505 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(C)(C)[C@@H](O)c2ccc(OCc3ccccc3)cc2)C1 ZINC001441512793 1066047797 /nfs/dbraw/zinc/04/77/97/1066047797.db2.gz POLBZPHFVNAMKZ-VRUMLPLGSA-N 1 1 452.639 4.809 20 0 JJADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001441518816 1066048004 /nfs/dbraw/zinc/04/80/04/1066048004.db2.gz CFVYUJZIZNOKMX-PTUXOGIPSA-N 1 1 478.077 4.919 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](F)[C@@H](c3ccccc3)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001545942655 1066048379 /nfs/dbraw/zinc/04/83/79/1066048379.db2.gz BQOPPNZUUFUNEI-AGILITTLSA-N 1 1 498.691 4.649 20 0 JJADMO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC(F)(F)F)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001360908413 1066064175 /nfs/dbraw/zinc/06/41/75/1066064175.db2.gz KBKJGOFQJZENSF-CQSZACIVSA-N 1 1 464.561 4.858 20 0 JJADMO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CCC(F)F)n1CCn1cc[nH+]c1C ZINC001360908981 1066064812 /nfs/dbraw/zinc/06/48/12/1066064812.db2.gz UEBCQFQIIQBRSM-UHFFFAOYSA-N 1 1 457.554 4.674 20 0 JJADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)[C@@H](C)C1 ZINC001360913831 1066070386 /nfs/dbraw/zinc/07/03/86/1066070386.db2.gz KDTVIPOSRKRAKB-HRAATJIYSA-N 1 1 458.400 4.504 20 0 JJADMO CC[N@H+]1CC[C@H](CNC(=O)CCc2c3cccc(Br)c3[nH]c2-c2ccccc2)C1 ZINC001441957175 1066082994 /nfs/dbraw/zinc/08/29/94/1066082994.db2.gz MDAMGZXCZOMKRL-QGZVFWFLSA-N 1 1 454.412 4.988 20 0 JJADMO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2cnn(-c3ccccc3)c2Br)CC1 ZINC001360928356 1066084317 /nfs/dbraw/zinc/08/43/17/1066084317.db2.gz FQNUZZZSCBEDHM-NRFANRHFSA-N 1 1 453.384 4.544 20 0 JJADMO Cc1occc1CN(C)c1nnc(-c2ccc(Br)cc2)n1CCCn1cc[nH+]c1C ZINC001360933192 1066091025 /nfs/dbraw/zinc/09/10/25/1066091025.db2.gz XVVABDLGBFKJNS-UHFFFAOYSA-N 1 1 469.387 4.841 20 0 JJADMO C[C@@H]1C[C@H](N(C)C(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)CC[N@H+]1C ZINC001360933776 1066091973 /nfs/dbraw/zinc/09/19/73/1066091973.db2.gz MKZGGXVSWSPWNC-VQIMIIECSA-N 1 1 457.500 4.508 20 0 JJADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)c3csc(Cc4ccc(Cl)cc4)n3)c2)CCO1 ZINC001442111646 1066095048 /nfs/dbraw/zinc/09/50/48/1066095048.db2.gz JNLIZSQPTXFHSL-QGZVFWFLSA-N 1 1 456.011 4.538 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)c3csc(Cc4ccc(Cl)cc4)n3)c2)CCO1 ZINC001442111646 1066095058 /nfs/dbraw/zinc/09/50/58/1066095058.db2.gz JNLIZSQPTXFHSL-QGZVFWFLSA-N 1 1 456.011 4.538 20 0 JJADMO O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001360951824 1066108497 /nfs/dbraw/zinc/10/84/97/1066108497.db2.gz KNTKIOXLTHVYRE-MISYRCLQSA-N 1 1 452.467 4.981 20 0 JJADMO O=C(CSCc1ccc(F)cc1)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001360951765 1066108612 /nfs/dbraw/zinc/10/86/12/1066108612.db2.gz IVUPNIVWWHDPMO-FQEVSTJZSA-N 1 1 454.533 4.972 20 0 JJADMO Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)N2CC[NH+](CCc3cccs3)CC2)cs1 ZINC001442261622 1066109528 /nfs/dbraw/zinc/10/95/28/1066109528.db2.gz JVMCDFUMOLVQCC-UHFFFAOYSA-N 1 1 457.640 4.984 20 0 JJADMO CCOc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1OCC ZINC001442284126 1066111242 /nfs/dbraw/zinc/11/12/42/1066111242.db2.gz ALINOZDXIUJNSP-UXHICEINSA-N 1 1 452.595 4.565 20 0 JJADMO CC(C)(CNC(=O)c1cc(-c2cccc(Br)c2)no1)[N@H+]1CCc2ccccc2C1 ZINC001442332306 1066116947 /nfs/dbraw/zinc/11/69/47/1066116947.db2.gz NZCHKKPEFKEWNZ-UHFFFAOYSA-N 1 1 454.368 4.671 20 0 JJADMO C[N@@H+](CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC001442336660 1066118282 /nfs/dbraw/zinc/11/82/82/1066118282.db2.gz LDLUGRDPJIAMDP-IBGZPJMESA-N 1 1 457.537 4.652 20 0 JJADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCOc1ccc(C)cc1Br ZINC001360961975 1066121242 /nfs/dbraw/zinc/12/12/42/1066121242.db2.gz WBDOQDDGRQBYSH-NRFANRHFSA-N 1 1 459.428 4.897 20 0 JJADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC001360962166 1066121732 /nfs/dbraw/zinc/12/17/32/1066121732.db2.gz YVZRJVRDYJWCPF-UWJYYQICSA-N 1 1 450.549 4.536 20 0 JJADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC001360962159 1066121754 /nfs/dbraw/zinc/12/17/54/1066121754.db2.gz YVZRJVRDYJWCPF-DYESRHJHSA-N 1 1 450.549 4.536 20 0 JJADMO O=C(NCCNc1ccc(C(F)(F)F)cn1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001442423681 1066126773 /nfs/dbraw/zinc/12/67/73/1066126773.db2.gz CGYCRYFQIAANSV-WOJBJXKFSA-N 1 1 474.552 4.606 20 0 JJADMO CC[N@H+]1CCC[C@H](CNC(=O)[C@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)C1 ZINC001442427254 1066126879 /nfs/dbraw/zinc/12/68/79/1066126879.db2.gz GITPVHZPPZIDAZ-BEFAXECRSA-N 1 1 458.430 4.750 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC001442447301 1066127315 /nfs/dbraw/zinc/12/73/15/1066127315.db2.gz LNHPUBVFXHIAQE-DEOSSOPVSA-N 1 1 451.014 4.972 20 0 JJADMO Cc1c(Cn2c(CCc3ccccc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cnn1CC(C)C ZINC001360973827 1066130603 /nfs/dbraw/zinc/13/06/03/1066130603.db2.gz QGYKMDDHWUBZOO-UHFFFAOYSA-N 1 1 477.701 4.583 20 0 JJADMO CC[C@@H](C)c1nnc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)n1C[C@@H](CC)NC(=O)OC(C)(C)C ZINC001545950381 1066143345 /nfs/dbraw/zinc/14/33/45/1066143345.db2.gz PKANYMWFQJRUIR-YMPZKCBVSA-N 1 1 484.689 4.806 20 0 JJADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CC[N@@H+](C)C1CCCC1 ZINC001360986175 1066150284 /nfs/dbraw/zinc/15/02/84/1066150284.db2.gz WIHWSHLCJAPSPM-UHFFFAOYSA-N 1 1 496.059 4.560 20 0 JJADMO Cc1[nH+]ccn1CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@H]1CCCCO1 ZINC001360986461 1066152085 /nfs/dbraw/zinc/15/20/85/1066152085.db2.gz DIVULVRGYHJQBT-SIKLNZKXSA-N 1 1 487.048 4.899 20 0 JJADMO CC[C@H](Cn1c(C(C)C)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC001545950961 1066153127 /nfs/dbraw/zinc/15/31/27/1066153127.db2.gz ZGFMDXFJAAFRJB-SDUSCBPUSA-N 1 1 453.675 4.880 20 0 JJADMO COc1ccc(C[C@@H](C)NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)cc1OC ZINC001360988191 1066158730 /nfs/dbraw/zinc/15/87/30/1066158730.db2.gz XJLJLOUVWYMWRP-DCEDVJGZSA-N 1 1 450.623 4.689 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@H](C)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001360989299 1066160495 /nfs/dbraw/zinc/16/04/95/1066160495.db2.gz CGUVVNUJKVLQHS-QTGUNEKASA-N 1 1 490.092 4.771 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001360990199 1066166314 /nfs/dbraw/zinc/16/63/14/1066166314.db2.gz QYDPZJVUQPTWRX-IVAOSVALSA-N 1 1 476.065 4.786 20 0 JJADMO CCN(CC)c1ccc2cc(C(=O)NC[C@@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)c(=O)oc2c1 ZINC001360996376 1066175160 /nfs/dbraw/zinc/17/51/60/1066175160.db2.gz INIHZIKGWMKHCF-MBSDFSHPSA-N 1 1 453.608 4.514 20 0 JJADMO Cc1cc([C@](C)(O)Cn2c(C(C)C)nnc2N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C)o1 ZINC001360998271 1066177525 /nfs/dbraw/zinc/17/75/25/1066177525.db2.gz YGAMXJMCCMRCNF-IATMXGELSA-N 1 1 457.663 4.610 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@@H](C)c2cccc(C)c2)n1 ZINC001361008576 1066189804 /nfs/dbraw/zinc/18/98/04/1066189804.db2.gz YODUBABKJAPRRY-JOCHJYFZSA-N 1 1 477.701 4.808 20 0 JJADMO C[N@@H+](CCN(Cc1ccccc1)C(=O)c1ccc(OCC(F)(F)F)nc1)Cc1ccccc1 ZINC001361013654 1066198896 /nfs/dbraw/zinc/19/88/96/1066198896.db2.gz RDBZTIMBNQOBIW-UHFFFAOYSA-N 1 1 457.496 4.797 20 0 JJADMO Cc1cc(C)cc(CCn2c([C@@H]3CCCCO3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC001361017126 1066205667 /nfs/dbraw/zinc/20/56/67/1066205667.db2.gz KDDORSRWKXBTRQ-VWLOTQADSA-N 1 1 453.675 4.936 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N(C)[C@@H]3CCSC3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361017978 1066207484 /nfs/dbraw/zinc/20/74/84/1066207484.db2.gz HEPZGQPFFGLVEQ-XPWALMASSA-N 1 1 471.715 4.784 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC001361020175 1066209819 /nfs/dbraw/zinc/20/98/19/1066209819.db2.gz QJVNRGXQBQUZAB-AKFKNWHVSA-N 1 1 468.041 4.746 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N(C)Cc3cc(Cl)ccn3)n2CC[N@@H+]2CCC[C@H]2C)c1 ZINC001361020815 1066211919 /nfs/dbraw/zinc/21/19/19/1066211919.db2.gz IUURWEHVLUFSCY-HXUWFJFHSA-N 1 1 469.033 4.643 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CC[N@H+]2CCC[C@H]2C)c1 ZINC001361021124 1066213198 /nfs/dbraw/zinc/21/31/98/1066213198.db2.gz QTGKUHZFMDPJFB-JOCHJYFZSA-N 1 1 477.657 4.508 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N(C)Cc3nccs3)n2CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001361021396 1066215042 /nfs/dbraw/zinc/21/50/42/1066215042.db2.gz WUVPPXUERFVWDX-OAQYLSRUSA-N 1 1 468.671 4.831 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N(C)CC3CCOCC3)n2CC[N@@H+](C)C2CCCCC2)c1 ZINC001361022638 1066218822 /nfs/dbraw/zinc/21/88/22/1066218822.db2.gz XMNGHQSTRMGEAH-UHFFFAOYSA-N 1 1 469.674 4.601 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CC[C@H](CC(C)C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001361026831 1066227344 /nfs/dbraw/zinc/22/73/44/1066227344.db2.gz IANPXHDRDNRNMK-AOYPEHQESA-N 1 1 483.701 4.703 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](CC(C)C)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001361026830 1066227527 /nfs/dbraw/zinc/22/75/27/1066227527.db2.gz IANPXHDRDNRNMK-AHWVRZQESA-N 1 1 483.701 4.703 20 0 JJADMO C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC001442834602 1066228921 /nfs/dbraw/zinc/22/89/21/1066228921.db2.gz CUVKKMDQLHAROK-ILBGXUMGSA-N 1 1 455.440 4.894 20 0 JJADMO CC[C@]1(C)CC[C@H](Cn2c(Cc3csc(C)n3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)O1 ZINC001546056914 1066229747 /nfs/dbraw/zinc/22/97/47/1066229747.db2.gz LJJIOXVZZRMOBV-RCZVLFRGSA-N 1 1 474.719 4.538 20 0 JJADMO O=C(COc1ccccc1OCc1ccccc1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC001442838163 1066230115 /nfs/dbraw/zinc/23/01/15/1066230115.db2.gz JTCMHWGOMIPVAP-UHFFFAOYSA-N 1 1 458.602 4.812 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CC[C@](C)([NH+]4CCOCC4)C3)n2CCCC(C)(C)C)c1 ZINC001361028343 1066232588 /nfs/dbraw/zinc/23/25/88/1066232588.db2.gz YFVZEAHGCLNGSR-MHZLTWQESA-N 1 1 469.674 4.601 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@H](C)[N@@H+](C)C2CC2)c1 ZINC001361031951 1066244331 /nfs/dbraw/zinc/24/43/31/1066244331.db2.gz GKWCKJODEQDMMO-PZJWPPBQSA-N 1 1 495.590 4.504 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001361032649 1066246805 /nfs/dbraw/zinc/24/68/05/1066246805.db2.gz SYJRZPKJZOFTML-GOTSBHOMSA-N 1 1 469.674 4.742 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001361032653 1066247110 /nfs/dbraw/zinc/24/71/10/1066247110.db2.gz SYJRZPKJZOFTML-XZOQPEGZSA-N 1 1 469.674 4.742 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCCO[C@@H](C)C3)n2CCC[N@@H+](C)C2CCCCC2)c1 ZINC001361035157 1066252991 /nfs/dbraw/zinc/25/29/91/1066252991.db2.gz RKZHGTJOBUPKNH-QHCPKHFHSA-N 1 1 469.674 4.744 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2CCCC(C)(C)C)c1 ZINC001361035563 1066254666 /nfs/dbraw/zinc/25/46/66/1066254666.db2.gz FXUFUSXNNMJOCY-QHCPKHFHSA-N 1 1 469.674 4.601 20 0 JJADMO CC[C@]1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001546059132 1066261153 /nfs/dbraw/zinc/26/11/53/1066261153.db2.gz FNUHZCJYZCUIEZ-RXYILKCJSA-N 1 1 496.700 4.661 20 0 JJADMO CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC001454270917 1066262485 /nfs/dbraw/zinc/26/24/85/1066262485.db2.gz ZTUGJMNXGBRHHZ-UHFFFAOYSA-N 1 1 456.578 4.890 20 0 JJADMO CC[C@]1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001546060285 1066273740 /nfs/dbraw/zinc/27/37/40/1066273740.db2.gz XTFRVYJQNDJDDY-QNXIHNPRSA-N 1 1 466.674 4.894 20 0 JJADMO CC[C@]1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001546060283 1066273987 /nfs/dbraw/zinc/27/39/87/1066273987.db2.gz XTFRVYJQNDJDDY-FBIATWESSA-N 1 1 466.674 4.894 20 0 JJADMO Cc1cc(-c2nnc(N(C)CC(F)(F)F)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c2ccccc2n1 ZINC001361046093 1066274463 /nfs/dbraw/zinc/27/44/63/1066274463.db2.gz VFOZDIRGQIKMPD-SJLPKXTDSA-N 1 1 460.548 4.921 20 0 JJADMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC001454396048 1066277765 /nfs/dbraw/zinc/27/77/65/1066277765.db2.gz BGETZDSLOJZXBZ-KXBFYZLASA-N 1 1 454.924 4.583 20 0 JJADMO CCOc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)ccc1OCc1cccnc1 ZINC001454400448 1066278320 /nfs/dbraw/zinc/27/83/20/1066278320.db2.gz LCQOKTWVANUIOQ-SQJMNOBHSA-N 1 1 459.590 4.700 20 0 JJADMO CCOc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)ccc1OCc1cccnc1 ZINC001454400442 1066278403 /nfs/dbraw/zinc/27/84/03/1066278403.db2.gz LCQOKTWVANUIOQ-PXDATVDWSA-N 1 1 459.590 4.700 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001454402727 1066278542 /nfs/dbraw/zinc/27/85/42/1066278542.db2.gz LAVBJVDDSMOIRU-WDDWZANVSA-N 1 1 455.643 4.537 20 0 JJADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 ZINC001454404494 1066279400 /nfs/dbraw/zinc/27/94/00/1066279400.db2.gz UNGSSKOJUCPHIE-DMDCLOPFSA-N 1 1 453.671 4.659 20 0 JJADMO Cc1cc(-c2nnc(N(C)CCOC(C)(C)C)n2CCC[N@H+]2CCCO[C@@H](C)C2)c2ccccc2n1 ZINC001361049218 1066280822 /nfs/dbraw/zinc/28/08/22/1066280822.db2.gz WOZQNWHPMRXKLA-QFIPXVFZSA-N 1 1 494.684 4.554 20 0 JJADMO CC[C@]1(C)CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC001546061538 1066281393 /nfs/dbraw/zinc/28/13/93/1066281393.db2.gz BQQDBUQIVOPIST-FOTFPPMPSA-N 1 1 475.703 4.773 20 0 JJADMO CC[C@]1(C)CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546061582 1066282152 /nfs/dbraw/zinc/28/21/52/1066282152.db2.gz BZILEZGXMLIHRI-SBZFUYPRSA-N 1 1 473.637 4.683 20 0 JJADMO COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)N1CC[NH2+][C@@H](c2ccccc2C)C1 ZINC001454463235 1066285907 /nfs/dbraw/zinc/28/59/07/1066285907.db2.gz QOSYZSPEGGHDIW-HXUWFJFHSA-N 1 1 459.974 4.791 20 0 JJADMO CCn1ncc2cc(C(=O)N3CCC([N@@H+](C)Cc4cccc(C(F)(F)F)c4)CC3)c(C)nc21 ZINC001443259981 1066285827 /nfs/dbraw/zinc/28/58/27/1066285827.db2.gz DBWBXPMKDASWJR-UHFFFAOYSA-N 1 1 459.516 4.515 20 0 JJADMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C[C@@H]2CC(=O)Nc3ccccc32)CC1 ZINC001443259976 1066285915 /nfs/dbraw/zinc/28/59/15/1066285915.db2.gz DBUVDARKNXZFGN-SFHVURJKSA-N 1 1 459.512 4.644 20 0 JJADMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2csc([C@H]3CCCO3)n2)CC1 ZINC001443270944 1066288618 /nfs/dbraw/zinc/28/86/18/1066288618.db2.gz ZTYQZCRNXVRERI-LJQANCHMSA-N 1 1 453.530 4.750 20 0 JJADMO Cc1cccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001361053477 1066288914 /nfs/dbraw/zinc/28/89/14/1066288914.db2.gz JJFWPTXGQVGEJE-LEAFIULHSA-N 1 1 483.701 4.632 20 0 JJADMO O=C(N[C@H](CCO)c1cc(Cl)cc(Cl)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC001454480623 1066290475 /nfs/dbraw/zinc/29/04/75/1066290475.db2.gz QGRWAXUOKHIGPU-VQTJNVASSA-N 1 1 457.348 4.691 20 0 JJADMO Cc1cc(CN(C)c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)no1 ZINC001361054860 1066291358 /nfs/dbraw/zinc/29/13/58/1066291358.db2.gz IXNTUQCDPOJECY-LSDHHAIUSA-N 1 1 493.475 4.822 20 0 JJADMO Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C3)cc1 ZINC001443301872 1066292364 /nfs/dbraw/zinc/29/23/64/1066292364.db2.gz GDNUXOAFHVOFCP-AREMUKBSSA-N 1 1 452.574 4.736 20 0 JJADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)CCOc3ccccc3C(C)C)CC2)c1C ZINC001443406947 1066306519 /nfs/dbraw/zinc/30/65/19/1066306519.db2.gz KQLFXZVUWQZHTL-UHFFFAOYSA-N 1 1 453.627 4.722 20 0 JJADMO CC[NH+]1CCN(CCCCNC(=O)c2c(C)n(C3CCCCC3)c3ccc(OC)cc32)CC1 ZINC001443420053 1066309378 /nfs/dbraw/zinc/30/93/78/1066309378.db2.gz DGMTWFYMZBIMEG-UHFFFAOYSA-N 1 1 454.659 4.611 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)C(C)(C)Cc2ccc(O)cc2)cc1 ZINC001454635418 1066313049 /nfs/dbraw/zinc/31/30/49/1066313049.db2.gz YFGHDRAXWOQNCW-RRPNLBNLSA-N 1 1 458.602 4.754 20 0 JJADMO Cc1cc(Cn2c(-c3ccccc3Br)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)no1 ZINC001361073122 1066314100 /nfs/dbraw/zinc/31/41/00/1066314100.db2.gz CVYHUMKWORFWDH-UHFFFAOYSA-N 1 1 487.446 4.609 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N(C)CC(C)(C)C)n1CC(C)(C)[NH+]1CCOCC1 ZINC001361087325 1066326142 /nfs/dbraw/zinc/32/61/42/1066326142.db2.gz GXZVSXHSTPERMY-UHFFFAOYSA-N 1 1 492.108 4.845 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N(C)[C@@H]2CCSC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001361087305 1066326367 /nfs/dbraw/zinc/32/63/67/1066326367.db2.gz GHAFGVUJAFWPLR-TZIWHRDSSA-N 1 1 478.106 4.678 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CCC(C)C ZINC001361088035 1066328924 /nfs/dbraw/zinc/32/89/24/1066328924.db2.gz FFRCZHDEUGTZDT-RBBKRZOGSA-N 1 1 460.066 4.971 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC=CCC1 ZINC001361088268 1066330315 /nfs/dbraw/zinc/33/03/15/1066330315.db2.gz HDDPMVZMLPLMHE-UHFFFAOYSA-N 1 1 455.006 4.613 20 0 JJADMO CC(C)c1[nH+]ccn1CCNC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F ZINC001443602151 1066335535 /nfs/dbraw/zinc/33/55/35/1066335535.db2.gz SGZUFQGPMQPMIG-UHFFFAOYSA-N 1 1 459.394 4.660 20 0 JJADMO CC[C@]1(C)CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001546066092 1066339213 /nfs/dbraw/zinc/33/92/13/1066339213.db2.gz GTOABWWCIJIQQM-AFMDSPMNSA-N 1 1 455.647 4.850 20 0 JJADMO COc1ccccc1/C=C(/C(=O)NC[C@H]1C[N@H+](Cc2ccccc2C)CCO1)c1ccccc1 ZINC001454918689 1066341890 /nfs/dbraw/zinc/34/18/90/1066341890.db2.gz IOOKHTICOHRWSO-UPJKQUEQSA-N 1 1 456.586 4.561 20 0 JJADMO COc1ccccc1/C=C(/C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2C)CCO1)c1ccccc1 ZINC001454918689 1066341908 /nfs/dbraw/zinc/34/19/08/1066341908.db2.gz IOOKHTICOHRWSO-UPJKQUEQSA-N 1 1 456.586 4.561 20 0 JJADMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3NC(=O)OC(C)(C)C)c1 ZINC001443647840 1066344359 /nfs/dbraw/zinc/34/43/59/1066344359.db2.gz UHDKEMWNTCDSQQ-KFGJODCASA-N 1 1 457.659 4.863 20 0 JJADMO Cc1cc(F)ccc1CCn1c(CC(C)(C)C)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001361094704 1066345191 /nfs/dbraw/zinc/34/51/91/1066345191.db2.gz IFNLZMVSWZDFAY-ZRZAMGCNSA-N 1 1 484.708 4.552 20 0 JJADMO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC(c3nc(C)c(C(=O)OCC)s3)CC2)cc1 ZINC001455056946 1066356144 /nfs/dbraw/zinc/35/61/44/1066356144.db2.gz MXYMSOPBVMDQST-UHFFFAOYSA-N 1 1 457.640 4.880 20 0 JJADMO CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC001455070366 1066357088 /nfs/dbraw/zinc/35/70/88/1066357088.db2.gz GZSKTDNVXACXLA-RBBMRSRYSA-N 1 1 457.574 4.564 20 0 JJADMO CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001455082431 1066358610 /nfs/dbraw/zinc/35/86/10/1066358610.db2.gz OBXMEACWKZZJQL-BJKOFHAPSA-N 1 1 454.586 4.607 20 0 JJADMO Cc1cccc(O[C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCC[N@H+](C(C)C)CC2)c1 ZINC001361110334 1066359243 /nfs/dbraw/zinc/35/92/43/1066359243.db2.gz MXXCEENSELLMOA-OAQYLSRUSA-N 1 1 453.656 4.627 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCOc3cccc(C)c3)n2CC[N@@H+](C)C2CCCCC2)o1 ZINC001361111939 1066362571 /nfs/dbraw/zinc/36/25/71/1066362571.db2.gz GIZLYGOCPQBNBX-UHFFFAOYSA-N 1 1 451.615 4.935 20 0 JJADMO Nc1cc(Br)ccc1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001443763332 1066363674 /nfs/dbraw/zinc/36/36/74/1066363674.db2.gz DMXZFOSGZBHAND-UHFFFAOYSA-N 1 1 457.199 4.733 20 0 JJADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC001443795096 1066369513 /nfs/dbraw/zinc/36/95/13/1066369513.db2.gz AKJHVGVLCSCSJK-QFIPXVFZSA-N 1 1 452.986 4.836 20 0 JJADMO C[N@@H+](CCCOc1ccccc1CNC(=O)[C@H]1CCN(c2ccccc2F)C1)C1CCCC1 ZINC001361118962 1066370282 /nfs/dbraw/zinc/37/02/82/1066370282.db2.gz LJXKLXJTBXMZQD-QFIPXVFZSA-N 1 1 453.602 4.612 20 0 JJADMO CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1)NC(=O)OC(C)(C)C ZINC001545962549 1066373406 /nfs/dbraw/zinc/37/34/06/1066373406.db2.gz FNPDHSPFEINJQH-NRFANRHFSA-N 1 1 488.677 4.706 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](C)[C@@H](C)C3)n2C[C@H]2CCC[N@H+]2CCCO)c1 ZINC001361125916 1066380741 /nfs/dbraw/zinc/38/07/41/1066380741.db2.gz HHDIWYPWJYQCKM-KMDXXIMOSA-N 1 1 483.701 4.618 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2CC[N@H+]2CCC[C@H]2C)c1 ZINC001361126266 1066383765 /nfs/dbraw/zinc/38/37/65/1066383765.db2.gz PDVJBGPGAYSQEA-YADHBBJMSA-N 1 1 469.674 4.777 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N(C)CCOC(C)(C)C)n2C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC001361126386 1066383980 /nfs/dbraw/zinc/38/39/80/1066383980.db2.gz RBFBUCDZUHUGSX-JOCHJYFZSA-N 1 1 494.684 4.999 20 0 JJADMO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)CN(C(=O)c2ccccc2)c2ccccc2)CC1 ZINC001455451318 1066392148 /nfs/dbraw/zinc/39/21/48/1066392148.db2.gz AHTVSKOJUPIHLD-AREMUKBSSA-N 1 1 459.565 4.768 20 0 JJADMO CCc1nc(C[NH+]2CCC(CNC(=O)c3cc(OCc4ccccc4)cs3)CC2)cs1 ZINC001444033424 1066396909 /nfs/dbraw/zinc/39/69/09/1066396909.db2.gz MWBFTZRZWDIJCU-UHFFFAOYSA-N 1 1 455.649 4.988 20 0 JJADMO COc1cccc(Cc2cnc(NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)s2)c1 ZINC001455506440 1066399188 /nfs/dbraw/zinc/39/91/88/1066399188.db2.gz YAIMQFYPCBERDN-NRFANRHFSA-N 1 1 457.546 4.838 20 0 JJADMO Cc1ccc([C@@H](C)Cn2c(N3CCC([NH+]4CCN(C(C)C)CC4)CC3)nnc2C(C)(C)C)cc1 ZINC001361134063 1066405624 /nfs/dbraw/zinc/40/56/24/1066405624.db2.gz ACBXHXHYZAUUFD-QHCPKHFHSA-N 1 1 466.718 4.683 20 0 JJADMO Cc1nc(Cc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@@H](C)c2ccc(C)cc2)cs1 ZINC001361135874 1066410364 /nfs/dbraw/zinc/41/03/64/1066410364.db2.gz UFJBQKCERBIWAG-OAQYLSRUSA-N 1 1 496.725 4.541 20 0 JJADMO Cc1ccc([C@H](C)Cn2c(CC(C)C)nnc2N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC001361136740 1066410870 /nfs/dbraw/zinc/41/08/70/1066410870.db2.gz ZCPKQZCBPYFMCH-SMIHKQSGSA-N 1 1 467.702 4.914 20 0 JJADMO O=C(Cc1csc(-c2cccs2)n1)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001444136069 1066412477 /nfs/dbraw/zinc/41/24/77/1066412477.db2.gz LZTUSBYGSXMBEC-INIZCTEOSA-N 1 1 451.539 4.824 20 0 JJADMO CCOc1ccccc1OCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001444138538 1066413098 /nfs/dbraw/zinc/41/30/98/1066413098.db2.gz PFIVJTMSPYSKQU-HXUWFJFHSA-N 1 1 450.501 4.654 20 0 JJADMO C[C@H]1CN(C(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)CC[N@H+]1C1CCCC1 ZINC001455686569 1066424339 /nfs/dbraw/zinc/42/43/39/1066424339.db2.gz IGYLSRSEVRXHGE-FQEVSTJZSA-N 1 1 457.684 4.659 20 0 JJADMO C[C@@H]1CN(C(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)CC[N@H+]1C1CCCC1 ZINC001455702722 1066424894 /nfs/dbraw/zinc/42/48/94/1066424894.db2.gz OAZDDWXOXAMKKS-OAHLLOKOSA-N 1 1 454.924 4.693 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)[C@@H](C)c3cccs3)n2CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC001361144574 1066426853 /nfs/dbraw/zinc/42/68/53/1066426853.db2.gz JPDLTEHIFJORAL-QFIPXVFZSA-N 1 1 496.725 4.759 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)Cc3nccs3)n2CC[N@@H+](C)C2CCCCC2)c1 ZINC001361148701 1066436584 /nfs/dbraw/zinc/43/65/84/1066436584.db2.gz SYTQPTJJAWZXBR-UHFFFAOYSA-N 1 1 468.671 4.831 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)C[C@H]3CCCOC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361148767 1066436607 /nfs/dbraw/zinc/43/66/07/1066436607.db2.gz WBNJEUOSXDMWBD-ISKFKSNPSA-N 1 1 483.701 4.847 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H]3CCCOC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361148770 1066436699 /nfs/dbraw/zinc/43/66/99/1066436699.db2.gz WBNJEUOSXDMWBD-VWNXMTODSA-N 1 1 483.701 4.847 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)C[C@H]3CCCOC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001361148768 1066436770 /nfs/dbraw/zinc/43/67/70/1066436770.db2.gz WBNJEUOSXDMWBD-LADGPHEKSA-N 1 1 483.701 4.847 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001444258848 1066436709 /nfs/dbraw/zinc/43/67/09/1066436709.db2.gz KLDWQYXKSQOTLN-UARRHKHWSA-N 1 1 455.643 4.583 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)CC3COC(C)(C)OC3)n2CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001361149353 1066439346 /nfs/dbraw/zinc/43/93/46/1066439346.db2.gz SAPMXDXBRQMIFG-HSZRJFAPSA-N 1 1 499.700 4.574 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361151312 1066442683 /nfs/dbraw/zinc/44/26/83/1066442683.db2.gz GZWNYUFIIZFKAB-GXSHZHGVSA-N 1 1 483.701 4.844 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361151709 1066443916 /nfs/dbraw/zinc/44/39/16/1066443916.db2.gz DWLTYNYJBMORKB-VXNXHJTFSA-N 1 1 483.701 4.846 20 0 JJADMO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2N(C(=O)OC(C)(C)C)CC23CCCC3)CC[N@H+]1Cc1ccccc1 ZINC001444300353 1066445369 /nfs/dbraw/zinc/44/53/69/1066445369.db2.gz QIASISMJRTXHSX-AKIFATBCSA-N 1 1 455.643 4.678 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC(F)(F)CC1 ZINC001361155507 1066455158 /nfs/dbraw/zinc/45/51/58/1066455158.db2.gz VSVBLYUSZFLCJB-UHFFFAOYSA-N 1 1 458.557 4.695 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](C)CC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361156303 1066458160 /nfs/dbraw/zinc/45/81/60/1066458160.db2.gz SEWNOJPHAFKQFY-NKKJXINNSA-N 1 1 469.674 4.600 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCO[C@H]2CCCC[C@H]2C)c1 ZINC001361159231 1066463884 /nfs/dbraw/zinc/46/38/84/1066463884.db2.gz SXPAOIOWPQIODV-NOZRDPDXSA-N 1 1 483.701 4.990 20 0 JJADMO C[NH+]1CCN(c2nc3ccc(NC(=O)c4cc(Cl)cc(C(F)(F)F)c4)cc3s2)CC1 ZINC001455995197 1066469235 /nfs/dbraw/zinc/46/92/35/1066469235.db2.gz WUHVKIYVECQRKT-UHFFFAOYSA-N 1 1 454.905 4.973 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCSC(C)(C)C3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361164045 1066473981 /nfs/dbraw/zinc/47/39/81/1066473981.db2.gz UFILFCMVLJRUDT-IFMALSPDSA-N 1 1 471.715 4.926 20 0 JJADMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2CCNC(=O)OC(C)(C)C)[C@@H]1c1cccs1 ZINC001444566659 1066477188 /nfs/dbraw/zinc/47/71/88/1066477188.db2.gz LSRBPZSPCNIPJF-SIKLNZKXSA-N 1 1 457.640 4.628 20 0 JJADMO CC(C)(C)OC(=O)NCC1(CC(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1 ZINC001456033111 1066484174 /nfs/dbraw/zinc/48/41/74/1066484174.db2.gz YGSLGXPUSSPFFW-HXUWFJFHSA-N 1 1 450.023 4.506 20 0 JJADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)C3(Cc4ccccc4Cl)CC3)CC2)c1C ZINC001456037538 1066486359 /nfs/dbraw/zinc/48/63/59/1066486359.db2.gz IDFMCNLIZJQNOR-UHFFFAOYSA-N 1 1 456.030 4.806 20 0 JJADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cc(Br)cn(C3CC3)c2=O)c1 ZINC001456046397 1066491118 /nfs/dbraw/zinc/49/11/18/1066491118.db2.gz HESOJOHWMHEBDF-UHFFFAOYSA-N 1 1 455.356 4.566 20 0 JJADMO Cc1ccc(-c2nnc(N(C)C[C@H](C)c3nccs3)n2CC[N@@H+](C)Cc2ccc(F)cc2)o1 ZINC001361175075 1066491443 /nfs/dbraw/zinc/49/14/43/1066491443.db2.gz BKOAXPNBKXJVMA-KRWDZBQOSA-N 1 1 468.602 4.814 20 0 JJADMO C[C@H](CNC(=O)c1cccc(CSc2c(Cl)cccc2Cl)c1)C[NH+]1CCOCC1 ZINC001444686575 1066492960 /nfs/dbraw/zinc/49/29/60/1066492960.db2.gz ODQNWHOFWQSRHL-MRXNPFEDSA-N 1 1 453.435 4.984 20 0 JJADMO COC(=O)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccc(C(C)(C)C)cc1 ZINC001444692824 1066493953 /nfs/dbraw/zinc/49/39/53/1066493953.db2.gz XJOHLXKIRQQWPR-ILBGXUMGSA-N 1 1 450.623 4.659 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3ccon3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cc1Br ZINC001361182855 1066505110 /nfs/dbraw/zinc/50/51/10/1066505110.db2.gz CLKDEJRMXQIJOZ-GOSISDBHSA-N 1 1 487.446 4.761 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC1CC1 ZINC001361184071 1066506550 /nfs/dbraw/zinc/50/65/50/1066506550.db2.gz XQKAWALPWINSGE-UHFFFAOYSA-N 1 1 457.420 4.848 20 0 JJADMO Cc1ccc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1Br ZINC001361184284 1066507191 /nfs/dbraw/zinc/50/71/91/1066507191.db2.gz FAGVDRDLOOXYBP-QUCCMNQESA-N 1 1 490.490 4.611 20 0 JJADMO CC[C@@]1(C)CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCC[NH+]2CCOCC2)C1 ZINC001546079391 1066509324 /nfs/dbraw/zinc/50/93/24/1066509324.db2.gz LDXNWTCLLPNKBI-QHCPKHFHSA-N 1 1 464.079 4.573 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCN(C)c3ccccc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)o1 ZINC001361188780 1066514083 /nfs/dbraw/zinc/51/40/83/1066514083.db2.gz YJDPJWTUDNVLTH-RTWAWAEBSA-N 1 1 450.631 4.540 20 0 JJADMO CC[C@@H](c1ccccc1)N1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001361192144 1066519545 /nfs/dbraw/zinc/51/95/45/1066519545.db2.gz HZWFIICPBAUOLH-ZCYQVOJMSA-N 1 1 459.556 4.737 20 0 JJADMO CC[C@@H](c1ccccc1)N1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001361192144 1066519556 /nfs/dbraw/zinc/51/95/56/1066519556.db2.gz HZWFIICPBAUOLH-ZCYQVOJMSA-N 1 1 459.556 4.737 20 0 JJADMO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc(Br)ccc2OC(F)F)CC1 ZINC001361193807 1066520772 /nfs/dbraw/zinc/52/07/72/1066520772.db2.gz ZHXRWLXTANYZKR-GOSISDBHSA-N 1 1 453.327 4.960 20 0 JJADMO Cc1ccc(-c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1Br ZINC001361196229 1066523417 /nfs/dbraw/zinc/52/34/17/1066523417.db2.gz MESZAINUYBGGSS-LMMKCTJWSA-N 1 1 460.464 4.983 20 0 JJADMO C[C@H](c1ccc(NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)cc1)N1CCOCC1 ZINC001456158955 1066525661 /nfs/dbraw/zinc/52/56/61/1066525661.db2.gz XOOMEDKHPKDMPT-FCHUYYIVSA-N 1 1 451.611 4.585 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCC[NH+]2CCOCC2)cc1Br ZINC001361199462 1066528092 /nfs/dbraw/zinc/52/80/92/1066528092.db2.gz DYQUZHCWLSSPRM-HXUWFJFHSA-N 1 1 490.490 4.611 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC([C@H](C)NC(=O)OC(C)(C)C)CC3)n2CCCn2cc[nH+]c2C)o1 ZINC001361200189 1066529874 /nfs/dbraw/zinc/52/98/74/1066529874.db2.gz PFEWNGFZZBCCHY-IBGZPJMESA-N 1 1 497.644 4.571 20 0 JJADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Oc3cccc(CNC(=O)OC(C)(C)C)c3)cc2)C[C@@H](C)O1 ZINC001456177882 1066529975 /nfs/dbraw/zinc/52/99/75/1066529975.db2.gz HCZKILUROCXBQL-RTBURBONSA-N 1 1 454.567 4.540 20 0 JJADMO C[C@]1(c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCOc1ccc(F)c(F)c1 ZINC001456181837 1066532027 /nfs/dbraw/zinc/53/20/27/1066532027.db2.gz XEXJHMNBMVGXFS-YIXXDRMTSA-N 1 1 450.529 4.550 20 0 JJADMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3N(C(=O)OC(C)(C)C)CCCC3(C)C)cc2)C1 ZINC001445040947 1066532026 /nfs/dbraw/zinc/53/20/26/1066532026.db2.gz AOHWQGNMQCTOGD-DENIHFKCSA-N 1 1 459.631 4.771 20 0 JJADMO C[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001445038746 1066532145 /nfs/dbraw/zinc/53/21/45/1066532145.db2.gz XQKNYOSEGCUDMF-ZTCOLXNVSA-N 1 1 451.611 4.621 20 0 JJADMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cc(Br)cc4cccnc43)cc2)C1 ZINC001445051448 1066534363 /nfs/dbraw/zinc/53/43/63/1066534363.db2.gz UJJQYSGOUQYFSA-MRXNPFEDSA-N 1 1 454.368 4.970 20 0 JJADMO C[C@]1(c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCc1ccc(C(F)(F)F)cn1 ZINC001456200100 1066536296 /nfs/dbraw/zinc/53/62/96/1066536296.db2.gz QXUWLGPTURVOGM-AOYPEHQESA-N 1 1 467.535 4.849 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)o1 ZINC001361205248 1066536528 /nfs/dbraw/zinc/53/65/28/1066536528.db2.gz GXTILMOVORHXRL-IBGZPJMESA-N 1 1 488.677 4.659 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[C@H](C[NH+]4CCOCC4)C3)n2CCCC(C)C)cc1Br ZINC001361205414 1066536967 /nfs/dbraw/zinc/53/69/67/1066536967.db2.gz IPDQYWZYDASFRS-HXUWFJFHSA-N 1 1 490.490 4.611 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001445086799 1066537995 /nfs/dbraw/zinc/53/79/95/1066537995.db2.gz YAYATGGDLGLZAG-NOTUOJBMSA-N 1 1 455.643 4.585 20 0 JJADMO CCC[N@@H+](CC)CCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 ZINC001445160280 1066541076 /nfs/dbraw/zinc/54/10/76/1066541076.db2.gz NHFPDKGOHGHQMV-UHFFFAOYSA-N 1 1 459.569 4.747 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC=C(Br)C3)n2CC[N@H+](C)Cc2ccc(F)cc2)o1 ZINC001361210423 1066543795 /nfs/dbraw/zinc/54/37/95/1066543795.db2.gz JYQKEGYJCDSDTC-UHFFFAOYSA-N 1 1 474.378 4.607 20 0 JJADMO CC(C)N1CC[NH+](CCC(=O)N(CC2(c3ccc(Cl)c(Cl)c3)CCC2)C2CC2)CC1 ZINC001445259850 1066549527 /nfs/dbraw/zinc/54/95/27/1066549527.db2.gz JISQQQHKWLVKDL-UHFFFAOYSA-N 1 1 452.470 4.822 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CC[N@H+](C)C2CCCCC2)o1 ZINC001361214286 1066550038 /nfs/dbraw/zinc/55/00/38/1066550038.db2.gz LZDXXTCLAJUYSI-IBGZPJMESA-N 1 1 469.552 4.659 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2Cc2nccs2)cc1Br ZINC001361217451 1066553010 /nfs/dbraw/zinc/55/30/10/1066553010.db2.gz KOPMNNZTSSZLPN-UHFFFAOYSA-N 1 1 489.487 4.831 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2Cc2ccccc2OC(C)C)o1 ZINC001361219023 1066555614 /nfs/dbraw/zinc/55/56/14/1066555614.db2.gz ZDMQBSRBMWQQTA-UHFFFAOYSA-N 1 1 451.615 4.993 20 0 JJADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Cl)[C@H](C)C1 ZINC001456298164 1066557454 /nfs/dbraw/zinc/55/74/54/1066557454.db2.gz FYBYDWHQPKBXBX-UZLBHIALSA-N 1 1 454.011 4.554 20 0 JJADMO COc1cccc2[nH]cc(CC(=O)N(C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC(F)(F)F)c21 ZINC001361220464 1066557581 /nfs/dbraw/zinc/55/75/81/1066557581.db2.gz QVSQSYMKCPSKNZ-LJQANCHMSA-N 1 1 459.512 4.632 20 0 JJADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)[C@H](C)C1 ZINC001456300291 1066557884 /nfs/dbraw/zinc/55/78/84/1066557884.db2.gz JTHGLMOOMOVXQC-RHSMWYFYSA-N 1 1 456.439 4.984 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[NH+]([C@@H](C)c4ccsc4)CC3)n2C[C@@](C)(O)CCC(C)C)o1 ZINC001361220842 1066558590 /nfs/dbraw/zinc/55/85/90/1066558590.db2.gz GKDFKJSFDDHUMY-CPJSRVTESA-N 1 1 471.671 4.978 20 0 JJADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)[C@@H](C)C1 ZINC001456304175 1066559527 /nfs/dbraw/zinc/55/95/27/1066559527.db2.gz ROKABWIWYWNWNU-PGRDOPGGSA-N 1 1 455.002 4.546 20 0 JJADMO C[C@@H]1C[N@H+](CCCCNC(=O)C2(c3ccccc3Br)CCCCC2)C[C@H](C)O1 ZINC001445345678 1066560684 /nfs/dbraw/zinc/56/06/84/1066560684.db2.gz JARJGNNZMGTRKB-KDURUIRLSA-N 1 1 451.449 4.657 20 0 JJADMO COC(=O)c1cc(C)nc2nc(NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3CC(C)C)sc21 ZINC001456356215 1066568974 /nfs/dbraw/zinc/56/89/74/1066568974.db2.gz NVNGYQFZYURMKE-UYAOXDASSA-N 1 1 466.607 4.519 20 0 JJADMO COc1ccc(COC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c(OC(F)F)c1 ZINC001456362990 1066571295 /nfs/dbraw/zinc/57/12/95/1066571295.db2.gz CYEACSYZUHZOFA-OAQYLSRUSA-N 1 1 459.411 4.794 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001456399263 1066578529 /nfs/dbraw/zinc/57/85/29/1066578529.db2.gz MTKAJWDCSVDKBR-CBJLPSGESA-N 1 1 457.659 4.637 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001456399265 1066578647 /nfs/dbraw/zinc/57/86/47/1066578647.db2.gz MTKAJWDCSVDKBR-NEUULRRLSA-N 1 1 457.659 4.637 20 0 JJADMO C[C@@H](CNC(=O)c1ccc(NC(=O)CSc2cccs2)cc1)[N@@H+](C)Cc1ccccc1 ZINC001456400600 1066578815 /nfs/dbraw/zinc/57/88/15/1066578815.db2.gz KPPITAKPNHWHBQ-SFHVURJKSA-N 1 1 453.633 4.729 20 0 JJADMO COCCc1ccc(OCCCC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001445523111 1066581014 /nfs/dbraw/zinc/58/10/14/1066581014.db2.gz JHPWFTOLDCWVOI-XNMGPUDCSA-N 1 1 450.623 4.548 20 0 JJADMO Cc1c(C(=O)Nc2cc(-c3cc(Br)ccc3Cl)[nH]n2)cnn1-c1cc[nH+]cc1 ZINC001445536408 1066584447 /nfs/dbraw/zinc/58/44/47/1066584447.db2.gz OLTUMHONBJHHGO-UHFFFAOYSA-N 1 1 457.719 4.634 20 0 JJADMO Cc1ccc(CCn2c(CC(C)(C)C)nnc2N2CCC([NH+]3CCN(C(C)C)CC3)CC2)c(C)c1 ZINC001361243033 1066584758 /nfs/dbraw/zinc/58/47/58/1066584758.db2.gz HULFXGANHRWYPI-UHFFFAOYSA-N 1 1 480.745 4.721 20 0 JJADMO COc1cc(Cl)c(Br)cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001361243122 1066584823 /nfs/dbraw/zinc/58/48/23/1066584823.db2.gz VIRQIFSGVAKDGU-GOEBONIOSA-N 1 1 451.792 4.894 20 0 JJADMO Cc1onc(-c2cccc(Cl)c2)c1C(=O)N1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001456436460 1066585416 /nfs/dbraw/zinc/58/54/16/1066585416.db2.gz IPDSTFJGPWJMMR-UHFFFAOYSA-N 1 1 453.970 4.668 20 0 JJADMO CC(C)(C)c1ccc([C@@H](O)CCC(=O)N2CCC[N@@H+](Cc3ccccc3)CCOCC2)cc1 ZINC001456437380 1066586049 /nfs/dbraw/zinc/58/60/49/1066586049.db2.gz NCPLHWKUQXOWQP-SANMLTNESA-N 1 1 452.639 4.549 20 0 JJADMO Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)C2)c1 ZINC001445567002 1066588608 /nfs/dbraw/zinc/58/86/08/1066588608.db2.gz KXYPDCRJCCXPHN-NOZRDPDXSA-N 1 1 453.671 4.659 20 0 JJADMO CCn1nc(C(F)(F)F)c(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1C(F)F ZINC001445568852 1066588943 /nfs/dbraw/zinc/58/89/43/1066588943.db2.gz QWOBUXLSANJBES-CQSZACIVSA-N 1 1 450.496 4.976 20 0 JJADMO Cc1ccc(CN(C)c2nnc(-c3cccc(OC(F)F)c3)n2CC(C)(C)[NH+]2CCOCC2)s1 ZINC001361250329 1066596832 /nfs/dbraw/zinc/59/68/32/1066596832.db2.gz VXJRQYBVRSLHHP-UHFFFAOYSA-N 1 1 491.608 4.664 20 0 JJADMO COc1ccc2cc(/C=C\C(=O)Nc3ccc(C(=O)N(C)[C@H]4CCC[N@@H+](C)C4)cc3)ccc2c1 ZINC001456489885 1066597298 /nfs/dbraw/zinc/59/72/98/1066597298.db2.gz NEBSKPBUCCTUDP-FDYWPOKOSA-N 1 1 457.574 4.667 20 0 JJADMO Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+](C)Cc2ccccc2)o1 ZINC001361251221 1066598191 /nfs/dbraw/zinc/59/81/91/1066598191.db2.gz JQLUPRNRVRTQTE-UHFFFAOYSA-N 1 1 450.974 4.663 20 0 JJADMO CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)N(C)[C@@H]4CCC[N@@H+](C)C4)cc3)o2)cc1 ZINC001456501090 1066602481 /nfs/dbraw/zinc/60/24/81/1066602481.db2.gz RLYPAGXLIIWFQX-HSZRJFAPSA-N 1 1 459.546 4.568 20 0 JJADMO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)c1 ZINC001456512572 1066607568 /nfs/dbraw/zinc/60/75/68/1066607568.db2.gz XOQKWAQVDQHRTF-OFNKIYASSA-N 1 1 456.428 4.507 20 0 JJADMO Cc1ccc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CC[N@@H+]2CCC[C@H]2C)s1 ZINC001361261062 1066611718 /nfs/dbraw/zinc/61/17/18/1066611718.db2.gz FVDKNRVSEKELLX-HXUWFJFHSA-N 1 1 453.656 4.965 20 0 JJADMO Cc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CCCC(C)(C)C2)o1 ZINC001361261136 1066612490 /nfs/dbraw/zinc/61/24/90/1066612490.db2.gz IUMTWERFJADVHL-FGZHOGPDSA-N 1 1 457.663 4.857 20 0 JJADMO C[C@@H]1C[C@H](NC(=O)CCc2nc3cc(Br)ccc3s2)C[N@H+]1Cc1ccccc1 ZINC001445789401 1066617601 /nfs/dbraw/zinc/61/76/01/1066617601.db2.gz JSADIXUMCZJYIN-QAPCUYQASA-N 1 1 458.425 4.771 20 0 JJADMO Cc1ccc(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCC[N@H+](C(C)C)CC2)cn1 ZINC001361267614 1066619866 /nfs/dbraw/zinc/61/98/66/1066619866.db2.gz NVTNJGJOOICOEN-QHCPKHFHSA-N 1 1 462.642 4.707 20 0 JJADMO C[C@H]1C[C@H](N(C)C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)CC[N@H+]1Cc1ccccc1 ZINC001456553929 1066623748 /nfs/dbraw/zinc/62/37/48/1066623748.db2.gz QQSQWQONPIFDEH-PGRDOPGGSA-N 1 1 452.986 4.834 20 0 JJADMO C[C@@]1(NC(=O)c2cc(Br)ccc2O)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001456558365 1066624416 /nfs/dbraw/zinc/62/44/16/1066624416.db2.gz ZHOCWXPQYGYANV-WIOPSUGQSA-N 1 1 465.391 4.943 20 0 JJADMO Cc1ccccc1OCCCN(C)c1nnc(C(C)C)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001492599598 1066650533 /nfs/dbraw/zinc/65/05/33/1066650533.db2.gz ZFBRRHZZGQWQFD-SZPZYZBQSA-N 1 1 457.663 4.503 20 0 JJADMO CC(C)C[C@H](C)Oc1cc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)ccn1 ZINC001456636115 1066653521 /nfs/dbraw/zinc/65/35/21/1066653521.db2.gz BRUZHLFNNZGNSU-WDDWZANVSA-N 1 1 472.633 4.822 20 0 JJADMO Cc1ccccc1OCCN(C)c1nnc(Cc2ccsc2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001492601862 1066657086 /nfs/dbraw/zinc/65/70/86/1066657086.db2.gz JFUKEZCWUVWFTN-IFMALSPDSA-N 1 1 467.683 4.874 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001456646938 1066657416 /nfs/dbraw/zinc/65/74/16/1066657416.db2.gz DIWVZFAZXBVQQH-BOCWGRARSA-N 1 1 477.649 4.808 20 0 JJADMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC001456647686 1066657500 /nfs/dbraw/zinc/65/75/00/1066657500.db2.gz GFOIOFGWPHSVOW-VXNXHJTFSA-N 1 1 454.492 4.523 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001456646945 1066657523 /nfs/dbraw/zinc/65/75/23/1066657523.db2.gz DIWVZFAZXBVQQH-FVVBACEJSA-N 1 1 477.649 4.808 20 0 JJADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)[C@H](C)C1 ZINC001456707748 1066671442 /nfs/dbraw/zinc/67/14/42/1066671442.db2.gz UFRKRMOMVZNQHM-IERDGZPVSA-N 1 1 458.400 4.504 20 0 JJADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001456737052 1066678220 /nfs/dbraw/zinc/67/82/20/1066678220.db2.gz OOEGNEKKBKLHDJ-BJKOFHAPSA-N 1 1 457.659 4.784 20 0 JJADMO Cc1cc(F)ccc1-c1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1F ZINC001446277973 1066683944 /nfs/dbraw/zinc/68/39/44/1066683944.db2.gz AZNKPXLOPGUWSC-LVXARBLLSA-N 1 1 450.529 4.553 20 0 JJADMO CCCc1c(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nnn1-c1cccc(Cl)c1 ZINC001456774112 1066686976 /nfs/dbraw/zinc/68/69/76/1066686976.db2.gz WIMADDPDDMUVDJ-KSFYIVLOSA-N 1 1 458.031 4.748 20 0 JJADMO Cc1cnn([C@H]2CCCN(c3nnc([C@@H](C)Oc4ccccc4F)n3CCC[N@H+](C)C(C)C)C2)c1 ZINC001492620371 1066689958 /nfs/dbraw/zinc/68/99/58/1066689958.db2.gz DGTDRRVZRHRTQH-YADHBBJMSA-N 1 1 483.636 4.634 20 0 JJADMO Cc1coc(C)c1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001492637184 1066722934 /nfs/dbraw/zinc/72/29/34/1066722934.db2.gz MGGMEESKOMNMEP-QFIPXVFZSA-N 1 1 486.661 4.529 20 0 JJADMO Cc1csc([C@@H](C)Cn2c(N3CC[N@@H+](Cc4ccccc4)C[C@H]3C)nnc2C(C)(C)C)n1 ZINC001492638436 1066726635 /nfs/dbraw/zinc/72/66/35/1066726635.db2.gz HMJUBBUWJCFXGJ-AZUAARDMSA-N 1 1 452.672 4.855 20 0 JJADMO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2cccnc2SCc2c(C)noc2C)CC1 ZINC001456963334 1066730856 /nfs/dbraw/zinc/73/08/56/1066730856.db2.gz GCGYOBMJLIGFDP-QHCPKHFHSA-N 1 1 450.608 4.888 20 0 JJADMO Cc1csc([C@H]2CN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CC[N@H+](C)C(C)C)CCO2)n1 ZINC001492641512 1066734212 /nfs/dbraw/zinc/73/42/12/1066734212.db2.gz MACWQPIRJGRKPJ-JOCHJYFZSA-N 1 1 482.698 4.926 20 0 JJADMO CC(C)(Oc1ccc(F)cc1)C(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456988720 1066736484 /nfs/dbraw/zinc/73/64/84/1066736484.db2.gz VDRUXGFTZFTLFK-IBGZPJMESA-N 1 1 452.492 4.896 20 0 JJADMO CCC[C@H]1CN(C(=O)c2cccc(C)c2NC(=O)c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC001446812323 1066743954 /nfs/dbraw/zinc/74/39/54/1066743954.db2.gz FVRJSKFDNKBUKJ-DEOSSOPVSA-N 1 1 456.590 4.769 20 0 JJADMO CCC[C@@H]1CN(C(=O)c2cccc(C)c2NC(=O)c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC001446812329 1066744054 /nfs/dbraw/zinc/74/40/54/1066744054.db2.gz FVRJSKFDNKBUKJ-XMMPIXPASA-N 1 1 456.590 4.769 20 0 JJADMO Cc1csc(CN(C)c2nnc(-c3ccccc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001492645868 1066747572 /nfs/dbraw/zinc/74/75/72/1066747572.db2.gz LUMBHMYXKKGPHP-BGYRXZFFSA-N 1 1 453.656 4.839 20 0 JJADMO Cc1csc(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)[NH+]2CCOCC2)c1 ZINC001492646108 1066748417 /nfs/dbraw/zinc/74/84/17/1066748417.db2.gz VVNSJRWYBFMOBY-MRXNPFEDSA-N 1 1 480.465 4.979 20 0 JJADMO Cc1csc(CN(C)c2nnc(Cc3ccncc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001492647036 1066751035 /nfs/dbraw/zinc/75/10/35/1066751035.db2.gz DLHBAEOJAPBQTN-BGYRXZFFSA-N 1 1 452.672 4.638 20 0 JJADMO Cc1csc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCC[N@H+](C(C)C)CC2)n1 ZINC001492649363 1066756463 /nfs/dbraw/zinc/75/64/63/1066756463.db2.gz ZHVHKALFRJIDJH-SFHVURJKSA-N 1 1 475.062 4.805 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC001457103171 1066762978 /nfs/dbraw/zinc/76/29/78/1066762978.db2.gz RSFMGWHJSWVZCR-OXJNMPFZSA-N 1 1 454.368 4.745 20 0 JJADMO C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001457103060 1066763127 /nfs/dbraw/zinc/76/31/27/1066763127.db2.gz RNJDZKMDPBYNDH-MZLICYQSSA-N 1 1 451.611 4.913 20 0 JJADMO COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001457128471 1066768286 /nfs/dbraw/zinc/76/82/86/1066768286.db2.gz XJZBXUOGSFQLTG-MRXNPFEDSA-N 1 1 451.995 4.690 20 0 JJADMO Cc1nc(Cc2nnc(N(C)[C@H](C)c3cc4ccccc4o3)n2CC[N@H+](C)C(C)C)cs1 ZINC001492662820 1066782737 /nfs/dbraw/zinc/78/27/37/1066782737.db2.gz XVCHVCRZNJPMLJ-QGZVFWFLSA-N 1 1 452.628 4.918 20 0 JJADMO Cc1nc(Cc2nnc(N(C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)n2CC(C)C)cs1 ZINC001492663766 1066783862 /nfs/dbraw/zinc/78/38/62/1066783862.db2.gz JFZRTJIIRNLVKQ-WMZHIEFXSA-N 1 1 452.672 4.779 20 0 JJADMO COc1ccc(O[C@H](C)CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)cc1 ZINC001457195248 1066785083 /nfs/dbraw/zinc/78/50/83/1066785083.db2.gz IBGALZMTSAWAND-KKVCJECGSA-N 1 1 458.602 4.803 20 0 JJADMO CC(C)C[C@@H](CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)NC(=O)OC(C)(C)C ZINC001447269190 1066786262 /nfs/dbraw/zinc/78/62/62/1066786262.db2.gz ZNWASVAWIFIZII-QHCPKHFHSA-N 1 1 457.659 4.831 20 0 JJADMO Cc1nc(Cc2nnc(N(C)Cc3ccc(F)c(F)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cs1 ZINC001492666004 1066789087 /nfs/dbraw/zinc/78/90/87/1066789087.db2.gz DNSPVVRSIFPUDO-NRFANRHFSA-N 1 1 474.625 4.669 20 0 JJADMO Cc1nc(Cc2nnc(N(C)Cc3ccc(F)cc3F)n2CC[N@@H+](C)C2CCCCC2)cs1 ZINC001492666115 1066789852 /nfs/dbraw/zinc/78/98/52/1066789852.db2.gz HQAGIDFDINMMCP-UHFFFAOYSA-N 1 1 474.625 4.813 20 0 JJADMO Cc1ncc(CN(C)c2nnc(Cc3csc(C)n3)n2CCCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC001492666731 1066794097 /nfs/dbraw/zinc/79/40/97/1066794097.db2.gz GDOGFUMCIMUCOS-KRWDZBQOSA-N 1 1 473.716 4.690 20 0 JJADMO C[C@H]1C[C@H](NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001457237560 1066796538 /nfs/dbraw/zinc/79/65/38/1066796538.db2.gz JDKAPOBMRYAYCB-GINFMSJVSA-N 1 1 453.671 4.801 20 0 JJADMO C[C@@H]1C[C@H](NC(=O)COc2ccc(Br)cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC001457237225 1066796586 /nfs/dbraw/zinc/79/65/86/1066796586.db2.gz HLPNYDDOIIHUBF-CRAIPNDOSA-N 1 1 451.792 4.651 20 0 JJADMO Cc1nc(Cc2nnc(N(C)CCc3ccccc3F)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cs1 ZINC001492668760 1066796885 /nfs/dbraw/zinc/79/68/85/1066796885.db2.gz WVDPREKVPWEZFX-QFIPXVFZSA-N 1 1 470.662 4.572 20 0 JJADMO O=C(Nc1ccc([S@@](=O)C(F)(F)F)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001457254899 1066798145 /nfs/dbraw/zinc/79/81/45/1066798145.db2.gz XJKHZCYAWGNTDE-HMBVCUQOSA-N 1 1 479.549 4.625 20 0 JJADMO Cc1nc(Cc2nnc(N(C)OC3CCCC3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001492670492 1066800646 /nfs/dbraw/zinc/80/06/46/1066800646.db2.gz VVBIGANZKZUQGF-KDURUIRLSA-N 1 1 460.692 4.702 20 0 JJADMO Cc1nc(Cc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)cs1 ZINC001492670869 1066800809 /nfs/dbraw/zinc/80/08/09/1066800809.db2.gz LYWYZOLQXNJNCH-UXHICEINSA-N 1 1 482.698 4.548 20 0 JJADMO O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC001447399304 1066804067 /nfs/dbraw/zinc/80/40/67/1066804067.db2.gz HTHFHLXVHDVOPV-NRFANRHFSA-N 1 1 450.385 4.836 20 0 JJADMO O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC001447399304 1066804075 /nfs/dbraw/zinc/80/40/75/1066804075.db2.gz HTHFHLXVHDVOPV-NRFANRHFSA-N 1 1 450.385 4.836 20 0 JJADMO Cc1nc(Cc2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001492673618 1066807345 /nfs/dbraw/zinc/80/73/45/1066807345.db2.gz YFIVSTVVCVDEPW-ZCNNSNEGSA-N 1 1 458.720 4.874 20 0 JJADMO CC[C@]1(C)CN(c2nnc(-c3ccccc3Br)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001546089519 1066812467 /nfs/dbraw/zinc/81/24/67/1066812467.db2.gz QSCKACYTBSQDPK-AXHZCLLHSA-N 1 1 490.490 4.833 20 0 JJADMO CC[C@@H]1CN(C(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC001447499930 1066815899 /nfs/dbraw/zinc/81/58/99/1066815899.db2.gz OXKUHSAGVRKNKT-LJQANCHMSA-N 1 1 458.484 4.712 20 0 JJADMO CC[C@@H]1CN(C(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)n[nH]2)CC[N@H+]1Cc1ccccc1 ZINC001447499930 1066815910 /nfs/dbraw/zinc/81/59/10/1066815910.db2.gz OXKUHSAGVRKNKT-LJQANCHMSA-N 1 1 458.484 4.712 20 0 JJADMO CC[C@@H]1CN(C(=O)[C@](C)(NC(=O)OC(C)(C)C)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001447498681 1066816036 /nfs/dbraw/zinc/81/60/36/1066816036.db2.gz MACCZYOHGMNCJO-YIXXDRMTSA-N 1 1 451.611 4.550 20 0 JJADMO CC[C@@H]1CN(C(=O)[C@](C)(NC(=O)OC(C)(C)C)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001447498681 1066816046 /nfs/dbraw/zinc/81/60/46/1066816046.db2.gz MACCZYOHGMNCJO-YIXXDRMTSA-N 1 1 451.611 4.550 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC(F)(F)c2ccccc2)cs1 ZINC001492678238 1066817653 /nfs/dbraw/zinc/81/76/53/1066817653.db2.gz UUFDWDSIEMNGAY-UHFFFAOYSA-N 1 1 474.625 4.736 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@H](C)Oc2ccccc2F)cs1 ZINC001492678579 1066818719 /nfs/dbraw/zinc/81/87/19/1066818719.db2.gz ZOCAVJSZWAQFSB-SFHVURJKSA-N 1 1 486.661 4.551 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[C@@H]3C(C)C)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)cs1 ZINC001492678471 1066818790 /nfs/dbraw/zinc/81/87/90/1066818790.db2.gz YDKMZOCVDBWKCG-AUSIDOKSSA-N 1 1 452.672 4.779 20 0 JJADMO Cc1cc(Br)c(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)cc1Br ZINC001457393008 1066821417 /nfs/dbraw/zinc/82/14/17/1066821417.db2.gz DXFQJGMDVORLOK-UHFFFAOYSA-N 1 1 458.169 4.521 20 0 JJADMO CCCOc1nc2ccccc2cc1/C=C\C(=O)Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC001447569345 1066823317 /nfs/dbraw/zinc/82/33/17/1066823317.db2.gz RGDZLANNARPSPX-SEYXRHQNSA-N 1 1 459.590 4.805 20 0 JJADMO Cc1nc(Cc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)cs1 ZINC001492682325 1066824745 /nfs/dbraw/zinc/82/47/45/1066824745.db2.gz VEOSBILXRLXSBY-GBXCKJPGSA-N 1 1 496.725 4.796 20 0 JJADMO Cc1nc(Cc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)cs1 ZINC001492682328 1066824935 /nfs/dbraw/zinc/82/49/35/1066824935.db2.gz VEOSBILXRLXSBY-YKSBVNFPSA-N 1 1 496.725 4.796 20 0 JJADMO C[C@H](CCNC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)[N@@H+](C)Cc1ccccc1 ZINC001457420554 1066827294 /nfs/dbraw/zinc/82/72/94/1066827294.db2.gz DSDSNIXOFJEGPR-JOCHJYFZSA-N 1 1 457.618 4.719 20 0 JJADMO COc1ccc(C(=O)Nc2ccc(C(=O)NCC[C@@H](C)[N@@H+](C)Cc3ccccc3)s2)cc1 ZINC001457421181 1066828113 /nfs/dbraw/zinc/82/81/13/1066828113.db2.gz HPSFMMANOWMFTB-GOSISDBHSA-N 1 1 451.592 4.649 20 0 JJADMO C[C@H](CCNC(=O)[C@@H]1[C@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001457424955 1066829178 /nfs/dbraw/zinc/82/91/78/1066829178.db2.gz VVSZPRHFEGNZSM-AZOUXBGGSA-N 1 1 457.659 4.829 20 0 JJADMO Cc1nc([C@H]2CCCN2c2nnc(CC(C)C)n2CC[N@@H+](C)Cc2ccc(F)cc2)cs1 ZINC001492694164 1066839930 /nfs/dbraw/zinc/83/99/30/1066839930.db2.gz BRRFTLZZPYDAOS-JOCHJYFZSA-N 1 1 456.635 4.854 20 0 JJADMO Cc1nc([C@H]2CCCN2c2nnc(COc3ccc(Cl)cc3)n2CC[N@H+](C)C(C)C)cs1 ZINC001492694319 1066839990 /nfs/dbraw/zinc/83/99/90/1066839990.db2.gz IXZYOCIVWJSHCS-OAQYLSRUSA-N 1 1 475.062 4.957 20 0 JJADMO Cc1ncc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCCC(C)(C)C2)s1 ZINC001492695774 1066843536 /nfs/dbraw/zinc/84/35/36/1066843536.db2.gz NCFVRQXNTKSPNA-UHFFFAOYSA-N 1 1 460.051 4.517 20 0 JJADMO Cc1ncc(CN(C)c2nnc(Cc3ccccc3C)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)s1 ZINC001492697619 1066849773 /nfs/dbraw/zinc/84/97/73/1066849773.db2.gz ANICCLWSQMAPMZ-QUCCMNQESA-N 1 1 452.672 4.699 20 0 JJADMO Cc1ncc(CN(C)c2nnc(Cc3ccccc3F)n2C[C@H]2[N@@H+](C)CCCC2(C)C)s1 ZINC001492698452 1066851836 /nfs/dbraw/zinc/85/18/36/1066851836.db2.gz XZDDNMUDJJMOEH-OAQYLSRUSA-N 1 1 456.635 4.530 20 0 JJADMO CC[C@@H](NC(=O)c1ccccc1COCc1ccccc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001457540813 1066855808 /nfs/dbraw/zinc/85/58/08/1066855808.db2.gz LKJWSJQZXLFFIX-IZLXSDGUSA-N 1 1 458.602 4.813 20 0 JJADMO CC[C@@H](NC(=O)c1ccccc1COCc1ccccc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001457540813 1066855826 /nfs/dbraw/zinc/85/58/26/1066855826.db2.gz LKJWSJQZXLFFIX-IZLXSDGUSA-N 1 1 458.602 4.813 20 0 JJADMO CC[C@H](NC(=O)c1ccccc1COCc1ccccc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001457540820 1066855855 /nfs/dbraw/zinc/85/58/55/1066855855.db2.gz LKJWSJQZXLFFIX-WUFINQPMSA-N 1 1 458.602 4.813 20 0 JJADMO CC[C@H](NC(=O)c1ccccc1COCc1ccccc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001457540820 1066855856 /nfs/dbraw/zinc/85/58/56/1066855856.db2.gz LKJWSJQZXLFFIX-WUFINQPMSA-N 1 1 458.602 4.813 20 0 JJADMO CC[C@@H](NC(=O)CCCCc1nc2ccccc2s1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001457546720 1066857812 /nfs/dbraw/zinc/85/78/12/1066857812.db2.gz SSJJQCIFFKECOE-GGAORHGYSA-N 1 1 451.636 4.805 20 0 JJADMO CC[C@@H](NC(=O)CCCCc1nc2ccccc2s1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001457546720 1066857817 /nfs/dbraw/zinc/85/78/17/1066857817.db2.gz SSJJQCIFFKECOE-GGAORHGYSA-N 1 1 451.636 4.805 20 0 JJADMO CC[C@@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001457552305 1066859267 /nfs/dbraw/zinc/85/92/67/1066859267.db2.gz YFVNIKALWPUWNF-CTNGQTDRSA-N 1 1 458.027 4.678 20 0 JJADMO CC[C@@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001457552305 1066859275 /nfs/dbraw/zinc/85/92/75/1066859275.db2.gz YFVNIKALWPUWNF-CTNGQTDRSA-N 1 1 458.027 4.678 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c(CC(C)C)nnc2N(C)[C@@H](C)CCc2ccc(O)cc2)cn1 ZINC001492704146 1066862398 /nfs/dbraw/zinc/86/23/98/1066862398.db2.gz RNIDJOBJMFGTDA-FQEVSTJZSA-N 1 1 473.625 4.577 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c(C(C)C)nnc2N(C)Cc2cnc(C(C)C)nc2)cc1F ZINC001492703860 1066862413 /nfs/dbraw/zinc/86/24/13/1066862413.db2.gz HNZRDELFHRSQPF-UHFFFAOYSA-N 1 1 462.577 4.633 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001492704469 1066863050 /nfs/dbraw/zinc/86/30/50/1066863050.db2.gz DFVQBBBZXNNKPJ-UHFFFAOYSA-N 1 1 468.403 4.657 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCS[C@@H](C)[C@@H]2C)cc1F ZINC001492704335 1066863069 /nfs/dbraw/zinc/86/30/69/1066863069.db2.gz ZEQJIFXWHBZGNE-IRXDYDNUSA-N 1 1 456.635 4.878 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(C)C)C1 ZINC001492704384 1066863092 /nfs/dbraw/zinc/86/30/92/1066863092.db2.gz AMTCQJMYSNLEDL-XZOQPEGZSA-N 1 1 499.704 4.860 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccco1 ZINC001492704488 1066863258 /nfs/dbraw/zinc/86/32/58/1066863258.db2.gz FFMUUKISVTVHHY-OAQYLSRUSA-N 1 1 497.644 4.607 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2cccn2C)nnc1N(C)Cc1cccc(Br)c1 ZINC001492704478 1066863277 /nfs/dbraw/zinc/86/32/77/1066863277.db2.gz DRCUOFZHBNHVCD-UHFFFAOYSA-N 1 1 482.430 4.668 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2ccccc2F)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001492704727 1066863866 /nfs/dbraw/zinc/86/38/66/1066863866.db2.gz LMYYTXPPLYDBTN-CRAIPNDOSA-N 1 1 450.484 4.704 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(C2CCCC2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001492704817 1066863929 /nfs/dbraw/zinc/86/39/29/1066863929.db2.gz NUXJRRXCIZVBMX-KNQAVFIVSA-N 1 1 485.677 4.661 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2cnccn2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001492705011 1066864039 /nfs/dbraw/zinc/86/40/39/1066864039.db2.gz SNFPTLWMLDIBLK-UHFFFAOYSA-N 1 1 488.493 4.515 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001492705319 1066864767 /nfs/dbraw/zinc/86/47/67/1066864767.db2.gz BTLQXHYGVXWVNH-UHFFFAOYSA-N 1 1 466.804 4.878 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@@H]1CCCCO1 ZINC001492705320 1066864822 /nfs/dbraw/zinc/86/48/22/1066864822.db2.gz BVGLMDGAPYXTNC-IBGZPJMESA-N 1 1 460.985 4.728 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001492705451 1066865008 /nfs/dbraw/zinc/86/50/08/1066865008.db2.gz GHXCVGZCENLEJO-WMZHIEFXSA-N 1 1 484.620 4.794 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H]1CCSC1 ZINC001492705461 1066865483 /nfs/dbraw/zinc/86/54/83/1066865483.db2.gz GQPALHXAUWLUQG-LJQANCHMSA-N 1 1 475.460 4.635 20 0 JJADMO Cc1nccn1-c1ccc(Cn2c(N3CCC(C[N@H+](C)C(C)C)CC3)nnc2C(C)(C)C)cc1F ZINC001492705903 1066866906 /nfs/dbraw/zinc/86/69/06/1066866906.db2.gz VWMVITQZTBSXGS-UHFFFAOYSA-N 1 1 481.664 4.814 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(F)cc1 ZINC001492706164 1066867577 /nfs/dbraw/zinc/86/75/77/1066867577.db2.gz FCZBVTHEFIDPOE-DHIUTWEWSA-N 1 1 468.621 4.958 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(COc2ccccc2F)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001492706487 1066868392 /nfs/dbraw/zinc/86/83/92/1066868392.db2.gz ONOHSINSPBUWFF-UHFFFAOYSA-N 1 1 478.494 4.680 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)C1CCCCC1 ZINC001492706523 1066868956 /nfs/dbraw/zinc/86/89/56/1066868956.db2.gz QDQLAIVFJVDVCL-OYRHEFFESA-N 1 1 485.677 4.803 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(Br)s2)nnc1N1CCCC(C)(C)C1 ZINC001492706801 1066868975 /nfs/dbraw/zinc/86/89/75/1066868975.db2.gz AJHBHVPKRJYZRM-UHFFFAOYSA-N 1 1 463.449 4.991 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(Nc2cnn(C)c2)nnc1-c1ccc(Br)cc1Cl ZINC001492706702 1066869084 /nfs/dbraw/zinc/86/90/84/1066869084.db2.gz XBQWNJRVCFPFFS-UHFFFAOYSA-N 1 1 489.809 4.823 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(Nc2ccn(C)n2)nnc1-c1ccc(Br)cc1Cl ZINC001492706726 1066869119 /nfs/dbraw/zinc/86/91/19/1066869119.db2.gz YFHLKQNBTADZQV-UHFFFAOYSA-N 1 1 489.809 4.823 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001492707167 1066869966 /nfs/dbraw/zinc/86/99/66/1066869966.db2.gz NCXILHRPCDGAIL-IBGZPJMESA-N 1 1 450.631 4.842 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCOC(C)(C)C1 ZINC001492707448 1066870946 /nfs/dbraw/zinc/87/09/46/1066870946.db2.gz VRVOFFQOTWOWDH-UHFFFAOYSA-N 1 1 466.630 4.580 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)CC[C@H]1C ZINC001492707751 1066871605 /nfs/dbraw/zinc/87/16/05/1066871605.db2.gz GQCPHPBSEDNNIH-WOJBJXKFSA-N 1 1 485.677 4.613 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(CC(C)(C)C)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC001492708558 1066872392 /nfs/dbraw/zinc/87/23/92/1066872392.db2.gz DWLZWYYAFBYHPC-LJQANCHMSA-N 1 1 479.629 4.616 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCS[C@H](C)C1 ZINC001492708736 1066872439 /nfs/dbraw/zinc/87/24/39/1066872439.db2.gz KLGSNWWGEUZQBX-LJQANCHMSA-N 1 1 468.671 4.692 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 ZINC001492708579 1066872452 /nfs/dbraw/zinc/87/24/52/1066872452.db2.gz FIVRSWPRZDWTSQ-UHFFFAOYSA-N 1 1 469.515 4.514 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001492708388 1066872486 /nfs/dbraw/zinc/87/24/86/1066872486.db2.gz YMBUFBSQTBRFQQ-CALCHBBNSA-N 1 1 457.420 4.785 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(CC(C)C)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001492708855 1066873024 /nfs/dbraw/zinc/87/30/24/1066873024.db2.gz NWPSBKNFPTWQGH-NRFANRHFSA-N 1 1 476.547 4.669 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOC(C)(C)[C@H]1C ZINC001492710025 1066874443 /nfs/dbraw/zinc/87/44/43/1066874443.db2.gz ARUMNUFMHZGPHU-CQSZACIVSA-N 1 1 493.837 4.570 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Br)s2)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001492710073 1066874474 /nfs/dbraw/zinc/87/44/74/1066874474.db2.gz CBYUAHXYOGHOAP-MRXNPFEDSA-N 1 1 481.489 4.552 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001492710035 1066874540 /nfs/dbraw/zinc/87/45/40/1066874540.db2.gz AZFQXFXKECKENW-UHFFFAOYSA-N 1 1 492.834 4.659 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001492710563 1066875783 /nfs/dbraw/zinc/87/57/83/1066875783.db2.gz UNLMDPQKHDBXEZ-OKILXGFUSA-N 1 1 451.427 4.787 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC(C)CC1 ZINC001492710420 1066875916 /nfs/dbraw/zinc/87/59/16/1066875916.db2.gz ONXKVDZMXTXQEA-UHFFFAOYSA-N 1 1 463.811 4.802 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2cccc(Br)c2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001492710698 1066875928 /nfs/dbraw/zinc/87/59/28/1066875928.db2.gz YSJRSMJVLPQKLQ-UHFFFAOYSA-N 1 1 481.320 4.612 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001492710506 1066876072 /nfs/dbraw/zinc/87/60/72/1066876072.db2.gz RHRCVXZFCJGEND-HXUWFJFHSA-N 1 1 466.630 4.579 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)Cc1cscn1 ZINC001492710652 1066876160 /nfs/dbraw/zinc/87/61/60/1066876160.db2.gz XKSRCHQATBPWHT-UHFFFAOYSA-N 1 1 492.834 4.659 20 0 JJADMO Cc1[nH+]ccn1CCn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001492712021 1066877637 /nfs/dbraw/zinc/87/76/37/1066877637.db2.gz PEUFOKFKFODLNJ-UHFFFAOYSA-N 1 1 478.519 4.930 20 0 JJADMO Cc1[nH+]ccn1CCn1c(CCCc2ccccc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001492712290 1066877787 /nfs/dbraw/zinc/87/77/87/1066877787.db2.gz YEPLZCLGXPEHOO-UHFFFAOYSA-N 1 1 489.571 4.770 20 0 JJADMO Cc1[nH+]ccn1CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001492712772 1066878596 /nfs/dbraw/zinc/87/85/96/1066878596.db2.gz NRGIHHAWIGMLGQ-MRXNPFEDSA-N 1 1 466.989 4.910 20 0 JJADMO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC001457646311 1066890378 /nfs/dbraw/zinc/89/03/78/1066890378.db2.gz IHKAKNRSVFUDAC-NRFANRHFSA-N 1 1 456.030 4.551 20 0 JJADMO C[NH+]1CCN(c2cc(C(=O)Nc3cccc(Oc4cccc(C(F)(F)F)c4)c3)ccn2)CC1 ZINC001448031315 1066892796 /nfs/dbraw/zinc/89/27/96/1066892796.db2.gz OGOJVWOWEZROTF-UHFFFAOYSA-N 1 1 456.468 4.897 20 0 JJADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CC3CCCC3)n2CCCC(C)(C)C)CC1 ZINC001492723389 1066894395 /nfs/dbraw/zinc/89/43/95/1066894395.db2.gz MHPQRZNIWGAXIX-UHFFFAOYSA-N 1 1 455.695 4.510 20 0 JJADMO CN(C)[C@@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cccc(C(F)(F)F)c1 ZINC001448059200 1066894543 /nfs/dbraw/zinc/89/45/43/1066894543.db2.gz BZFZQDAEIYVSHB-PKTZIBPZSA-N 1 1 459.556 4.727 20 0 JJADMO CN(C)[C@@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cccc(C(F)(F)F)c1 ZINC001448059200 1066894553 /nfs/dbraw/zinc/89/45/53/1066894553.db2.gz BZFZQDAEIYVSHB-PKTZIBPZSA-N 1 1 459.556 4.727 20 0 JJADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)Sc2ccccc2)CC1 ZINC001492723517 1066894878 /nfs/dbraw/zinc/89/48/78/1066894878.db2.gz QBJIGKBSVGZPAX-FQEVSTJZSA-N 1 1 495.741 4.720 20 0 JJADMO C[N@H+](CCO)Cc1cc(NC(=O)C2(c3cccc(OC(F)(F)F)c3)CCC2)ccc1Cl ZINC001448225133 1066910913 /nfs/dbraw/zinc/91/09/13/1066910913.db2.gz GWNXBSGAZZIQBR-UHFFFAOYSA-N 1 1 456.892 4.723 20 0 JJADMO C[N@@H+](CCO)Cc1cc(NC(=O)C2(c3cccc(OC(F)(F)F)c3)CCC2)ccc1Cl ZINC001448225133 1066910920 /nfs/dbraw/zinc/91/09/20/1066910920.db2.gz GWNXBSGAZZIQBR-UHFFFAOYSA-N 1 1 456.892 4.723 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3F)n2CCC[N@@H+](C)C2CCCCC2)n1 ZINC001492736899 1066912093 /nfs/dbraw/zinc/91/20/93/1066912093.db2.gz XSRMKDUSYSDVJU-UHFFFAOYSA-N 1 1 467.637 4.570 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)CCC[C@H]12 ZINC001448232597 1066912305 /nfs/dbraw/zinc/91/23/05/1066912305.db2.gz CDHCLSCSBDCCHU-UMTXDNHDSA-N 1 1 455.643 4.583 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)C[C@H]3CC=CCC3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492737678 1066912872 /nfs/dbraw/zinc/91/28/72/1066912872.db2.gz BCHDLVDJLYDNED-FBLLAGFSSA-N 1 1 467.706 4.690 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCC(Cl)=C(Cl)C3)n2CCC[N@H+](C)C2CCCCC2)n1 ZINC001492746107 1066921689 /nfs/dbraw/zinc/92/16/89/1066921689.db2.gz HWSXKSYCIAVVAN-UHFFFAOYSA-N 1 1 480.488 4.694 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@@H](c2cccnc2)C(C)C)n1 ZINC001492746524 1066922094 /nfs/dbraw/zinc/92/20/94/1066922094.db2.gz VUMONMHCDDBNIB-AREMUKBSSA-N 1 1 492.716 4.531 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCCC(C)(C)C3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001492749159 1066923919 /nfs/dbraw/zinc/92/39/19/1066923919.db2.gz VKYNYHGDALAZRT-QFIPXVFZSA-N 1 1 463.674 4.677 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCC[C@H]3C(C)C)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC001492749726 1066924597 /nfs/dbraw/zinc/92/45/97/1066924597.db2.gz HOWQUIFQOQDMQA-GOTSBHOMSA-N 1 1 470.065 4.721 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H]3C(C)C)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC001492749727 1066924718 /nfs/dbraw/zinc/92/47/18/1066924718.db2.gz HOWQUIFQOQDMQA-PKTZIBPZSA-N 1 1 470.065 4.721 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC001492751234 1066925864 /nfs/dbraw/zinc/92/58/64/1066925864.db2.gz VGIRZPRJUWNFNF-UXHICEINSA-N 1 1 481.611 4.744 20 0 JJADMO CC[C@H](Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)OC ZINC001546005939 1066926204 /nfs/dbraw/zinc/92/62/04/1066926204.db2.gz MBVAREGNIRWBNP-QLBJFCOMSA-N 1 1 453.675 4.579 20 0 JJADMO CC[C@H](Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)OC ZINC001546005940 1066926404 /nfs/dbraw/zinc/92/64/04/1066926404.db2.gz MBVAREGNIRWBNP-ZKMPZPQNSA-N 1 1 453.675 4.579 20 0 JJADMO CCc1cccc2c(CC(=O)NC3CC[NH+](Cc4ccc(Br)cc4)CC3)c[nH]c21 ZINC001457832482 1066930318 /nfs/dbraw/zinc/93/03/18/1066930318.db2.gz LMJOWBADXRQSAQ-UHFFFAOYSA-N 1 1 454.412 4.816 20 0 JJADMO Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC001448465233 1066930359 /nfs/dbraw/zinc/93/03/59/1066930359.db2.gz LORWCKCBNHSEKQ-QPPBQGQZSA-N 1 1 451.517 4.568 20 0 JJADMO Cc1cc(C)n(CC2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3[N@@H+](C)CCCC3(C)C)CC2)n1 ZINC001492759111 1066930458 /nfs/dbraw/zinc/93/04/58/1066930458.db2.gz WNCLKNYTCNBPSO-QHCPKHFHSA-N 1 1 469.722 4.717 20 0 JJADMO Cc1cc(C)n(CC2CCN(c3nnc(CC(C)C)n3CC(C)(C)[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)n1 ZINC001492758717 1066931324 /nfs/dbraw/zinc/93/13/24/1066931324.db2.gz LJQMAXINLIMDRZ-SZPZYZBQSA-N 1 1 483.749 4.963 20 0 JJADMO O=C(Nc1cccc(NCC(F)(F)F)c1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001448488365 1066932267 /nfs/dbraw/zinc/93/22/67/1066932267.db2.gz UGWQHHWZRIZFMY-WOJBJXKFSA-N 1 1 460.525 4.972 20 0 JJADMO C[N@H+]1CCC[C@H](c2cccc(C(=O)NCc3c(F)c(F)c(Br)c(F)c3F)c2)C1 ZINC001457881557 1066935330 /nfs/dbraw/zinc/93/53/30/1066935330.db2.gz WQXNPSMSDYHWAR-ZDUSSCGKSA-N 1 1 459.281 4.745 20 0 JJADMO Cc1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001492776877 1066947020 /nfs/dbraw/zinc/94/70/20/1066947020.db2.gz JASLSULXDZHFOY-QAPCUYQASA-N 1 1 495.981 4.530 20 0 JJADMO Cc1nnc(N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492783474 1066948688 /nfs/dbraw/zinc/94/86/88/1066948688.db2.gz FASJQYHXMAXWKN-JQOLTRQRSA-N 1 1 453.675 4.947 20 0 JJADMO Cc1nnc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1CCc1csc(C(C)(C)C)n1 ZINC001492803572 1066952941 /nfs/dbraw/zinc/95/29/41/1066952941.db2.gz FPKHZWJPJIPDJF-UHFFFAOYSA-N 1 1 466.699 4.932 20 0 JJADMO Cc1nnc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001492803634 1066953011 /nfs/dbraw/zinc/95/30/11/1066953011.db2.gz HOLMTEKJJIZCAV-UHFFFAOYSA-N 1 1 475.685 4.655 20 0 JJADMO Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1Cc1ccsc1Br ZINC001492804232 1066953354 /nfs/dbraw/zinc/95/33/54/1066953354.db2.gz GTQYNVJNHHFWIF-MRXNPFEDSA-N 1 1 466.493 4.940 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)COc1ccc(Cl)cc1Br ZINC001457991573 1066953618 /nfs/dbraw/zinc/95/36/18/1066953618.db2.gz HDMRYBIUCWJRGB-HZPDHXFCSA-N 1 1 451.792 4.603 20 0 JJADMO Cc1nnc(N2CCc3cc(NC(=O)OC(C)(C)C)ccc3C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001492832073 1066955364 /nfs/dbraw/zinc/95/53/64/1066955364.db2.gz YWJHJKMWZPXQTG-NRFANRHFSA-N 1 1 482.673 4.864 20 0 JJADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC001448786647 1066957944 /nfs/dbraw/zinc/95/79/44/1066957944.db2.gz PVLDTSSISRSZQY-UHFFFAOYSA-N 1 1 455.649 4.771 20 0 JJADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC001448786647 1066957952 /nfs/dbraw/zinc/95/79/52/1066957952.db2.gz PVLDTSSISRSZQY-UHFFFAOYSA-N 1 1 455.649 4.771 20 0 JJADMO COC(=O)c1cc(F)c(C)c(OC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)c1 ZINC001458045126 1066959950 /nfs/dbraw/zinc/95/99/50/1066959950.db2.gz QMVINEMKWFMQRQ-WOJBJXKFSA-N 1 1 453.535 4.803 20 0 JJADMO CC[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)c1ccccc1 ZINC001546009891 1066960430 /nfs/dbraw/zinc/96/04/30/1066960430.db2.gz AZDJNVJGEOQKIR-NRFANRHFSA-N 1 1 494.709 4.774 20 0 JJADMO C[C@@H]1C[C@@H](CCNC(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)C[N@H+]1Cc1ccccc1 ZINC001458054310 1066962621 /nfs/dbraw/zinc/96/26/21/1066962621.db2.gz BOXJGIBKCFDOTR-UYAOXDASSA-N 1 1 456.512 4.922 20 0 JJADMO O=C(Nc1ccc(F)cc1)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1 ZINC001545697213 1066963533 /nfs/dbraw/zinc/96/35/33/1066963533.db2.gz FKMKWYURTAFFLI-XMMPIXPASA-N 1 1 459.565 4.649 20 0 JJADMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N(CC)[C@H](C)c2ccc(-c3cccc(OC)c3)cc2)C1 ZINC001545702468 1066965180 /nfs/dbraw/zinc/96/51/80/1066965180.db2.gz DADDWUBJKSBORR-YKSBVNFPSA-N 1 1 452.595 4.547 20 0 JJADMO O=C(NCCOc1ncccc1C(F)(F)F)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001458094073 1066972881 /nfs/dbraw/zinc/97/28/81/1066972881.db2.gz SWYJYDVUMBNMGL-LEWJYISDSA-N 1 1 461.528 4.534 20 0 JJADMO Cc1ccc(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)cc1Oc1ncccc1Br ZINC001448962736 1066973482 /nfs/dbraw/zinc/97/34/82/1066973482.db2.gz HKSBLWZNIGLLMH-SFHVURJKSA-N 1 1 456.344 4.687 20 0 JJADMO Cc1ccc(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)cc1Oc1ncccc1Br ZINC001448962736 1066973489 /nfs/dbraw/zinc/97/34/89/1066973489.db2.gz HKSBLWZNIGLLMH-SFHVURJKSA-N 1 1 456.344 4.687 20 0 JJADMO CC[C@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC001545719818 1066973954 /nfs/dbraw/zinc/97/39/54/1066973954.db2.gz MVIZUSARJWUZTF-NGKAZNDSSA-N 1 1 494.728 4.968 20 0 JJADMO CC[C@@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC001545719819 1066973984 /nfs/dbraw/zinc/97/39/84/1066973984.db2.gz MVIZUSARJWUZTF-YLKGPAFFSA-N 1 1 494.728 4.968 20 0 JJADMO CC[C@@H](c1nnc(N(C)C[C@H](C)c2nccs2)n1CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC001545722606 1066978671 /nfs/dbraw/zinc/97/86/71/1066978671.db2.gz XISNXZMQXNJQTC-JTHBVZDNSA-N 1 1 495.741 4.542 20 0 JJADMO CC[C@@H](c1nnc(N(C)C[C@H](C)c2nccs2)n1CC[N@@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001545722606 1066978679 /nfs/dbraw/zinc/97/86/79/1066978679.db2.gz XISNXZMQXNJQTC-JTHBVZDNSA-N 1 1 495.741 4.542 20 0 JJADMO CC[C@@H](c1nnc(N(C)C[C@H](C)c2nccs2)n1CC[N@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001545722606 1066978693 /nfs/dbraw/zinc/97/86/93/1066978693.db2.gz XISNXZMQXNJQTC-JTHBVZDNSA-N 1 1 495.741 4.542 20 0 JJADMO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(NCCOc3ccc(C(C)C)cc3)c2c1C ZINC001458111410 1066978888 /nfs/dbraw/zinc/97/88/88/1066978888.db2.gz JCULYOFTWHWKHI-UHFFFAOYSA-N 1 1 456.612 4.852 20 0 JJADMO Cc1ccc(-c2noc([C@H](C)NC(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)n2)cc1F ZINC001545725580 1066982223 /nfs/dbraw/zinc/98/22/23/1066982223.db2.gz YTBKYFSUPJLLHT-QFBILLFUSA-N 1 1 458.484 4.519 20 0 JJADMO CC[C@H](c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@H](C)c1c(C)noc1C)c1ccccc1 ZINC001545725976 1066982801 /nfs/dbraw/zinc/98/28/01/1066982801.db2.gz HFORPMRPGHNQAG-RDPSFJRHSA-N 1 1 494.684 4.776 20 0 JJADMO CC[C@H](c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@H](C)c1c(C)noc1C)c1ccccc1 ZINC001545725976 1066982810 /nfs/dbraw/zinc/98/28/10/1066982810.db2.gz HFORPMRPGHNQAG-RDPSFJRHSA-N 1 1 494.684 4.776 20 0 JJADMO CC[C@@H](c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1c(C)coc1C)c1ccccc1 ZINC001545725953 1066983052 /nfs/dbraw/zinc/98/30/52/1066983052.db2.gz GVWIQUMJUXVEKO-ZFGGDYGUSA-N 1 1 465.642 4.624 20 0 JJADMO CC[C@@H](c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1c(C)coc1C)c1ccccc1 ZINC001545725953 1066983063 /nfs/dbraw/zinc/98/30/63/1066983063.db2.gz GVWIQUMJUXVEKO-ZFGGDYGUSA-N 1 1 465.642 4.624 20 0 JJADMO CC[C@@H](c1nnc(N(CC)C[C@H]2CCCO2)n1CC[N@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001545728070 1066985081 /nfs/dbraw/zinc/98/50/81/1066985081.db2.gz FJJGPPDCRQACIJ-DNQXCXABSA-N 1 1 453.675 4.947 20 0 JJADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C2)s1 ZINC001449178099 1066987881 /nfs/dbraw/zinc/98/78/81/1066987881.db2.gz SGQALRKFHNIOIF-KNQAVFIVSA-N 1 1 457.640 4.603 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CC(C)(C)C(F)(F)F)c1ccccc1 ZINC001545731066 1066989604 /nfs/dbraw/zinc/98/96/04/1066989604.db2.gz JLHZLZSEZNBFCX-HMXCVIKNSA-N 1 1 479.591 4.565 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](C)S[C@@H](C)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC001545731153 1066989693 /nfs/dbraw/zinc/98/96/93/1066989693.db2.gz KVQNTSRGPOKKLP-GRSYGWAWSA-N 1 1 471.715 4.651 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+](C)[C@@H](C)CC)c1ccccc1 ZINC001545731333 1066990629 /nfs/dbraw/zinc/99/06/29/1066990629.db2.gz MVXHLOYAQAANLV-NEUULRRLSA-N 1 1 498.716 4.900 20 0 JJADMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1csc(-c2ccc(C)o2)n1 ZINC001458158313 1066992340 /nfs/dbraw/zinc/99/23/40/1066992340.db2.gz ZZGWEWSGRHZJNE-HTAPYJJXSA-N 1 1 452.624 4.717 20 0 JJADMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1csc(-c2ccc(C)o2)n1 ZINC001458158313 1066992352 /nfs/dbraw/zinc/99/23/52/1066992352.db2.gz ZZGWEWSGRHZJNE-HTAPYJJXSA-N 1 1 452.624 4.717 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1Cc1csc([C@@H](C)OC)n1)c1ccccc1 ZINC001545731951 1066992599 /nfs/dbraw/zinc/99/25/99/1066992599.db2.gz VOQOHMGISFNWMM-XFGYDDDFSA-N 1 1 482.698 4.951 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)n1CCCNc1ccccn1)c1ccccc1 ZINC001545731966 1066992664 /nfs/dbraw/zinc/99/26/64/1066992664.db2.gz VSJSNBRKSCFLEJ-AOHZBQACSA-N 1 1 461.658 4.636 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1C[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1 ZINC001545732040 1066993254 /nfs/dbraw/zinc/99/32/54/1066993254.db2.gz WQFHMWPQQPNIFT-NNXSRULWSA-N 1 1 492.634 4.623 20 0 JJADMO CCC[N@@H+](C)[C@H](CNC(=O)CSc1nc(-c2cccc(C)c2)no1)c1ccc(Cl)cc1 ZINC001449263559 1066993666 /nfs/dbraw/zinc/99/36/66/1066993666.db2.gz KAWTXLRFZXFNDI-HXUWFJFHSA-N 1 1 459.015 4.990 20 0 JJADMO C/C(=C/C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1C(F)(F)F ZINC001449285793 1066995865 /nfs/dbraw/zinc/99/58/65/1066995865.db2.gz OSVDADIUZWWPKK-DBJZRZIFSA-N 1 1 457.540 4.527 20 0 JJADMO CC[C@@H](c1nnc(N2CC[C@H](C(C)C)C2)n1CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC001545734425 1066997660 /nfs/dbraw/zinc/99/76/60/1066997660.db2.gz SGWXPMXMCGPLQG-PZUNEJSGSA-N 1 1 453.675 4.803 20 0 JJADMO C[NH+](C)[C@@H](C(=O)NC[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001449310684 1066998052 /nfs/dbraw/zinc/99/80/52/1066998052.db2.gz MTVDBSONOPAEKC-FCHUYYIVSA-N 1 1 458.002 4.593 20 0 JJADMO CC[C@@H](c1nnc(N2CC[C@@H](C)C(C)(C)C2)n1CCC[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001545736182 1066999865 /nfs/dbraw/zinc/99/98/65/1066999865.db2.gz LRXBGJZERZBTDT-ILBGXUMGSA-N 1 1 466.718 4.720 20 0 JJADMO CC[C@H](c1nnc(N2CCC(C(F)(F)F)CC2)n1CCC[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001545736341 1067000173 /nfs/dbraw/zinc/00/01/73/1067000173.db2.gz PCXAJQHAZMFLEF-QHCPKHFHSA-N 1 1 492.634 4.626 20 0 JJADMO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N3C[C@H](c4ccccc4C)C[C@@H]3C)c2c1C ZINC001458197796 1067001877 /nfs/dbraw/zinc/00/18/77/1067001877.db2.gz LPFYINPGLYABRG-FUHWJXTLSA-N 1 1 452.624 4.929 20 0 JJADMO CC[C@H](c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CCn1cc(C)cn1)c1ccccc1 ZINC001545738452 1067003048 /nfs/dbraw/zinc/00/30/48/1067003048.db2.gz IIKDCYSPPLHEOR-VWLOTQADSA-N 1 1 463.674 4.582 20 0 JJADMO C[NH+]1CCN(Cc2ccc(C(=O)N3CCC[C@@H](c4cccc(C(F)(F)F)c4)C3)s2)CC1 ZINC001449365067 1067004541 /nfs/dbraw/zinc/00/45/41/1067004541.db2.gz CLYOQJCXJKZFSO-GOSISDBHSA-N 1 1 451.558 4.534 20 0 JJADMO CC[C@H](c1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC001545739057 1067004478 /nfs/dbraw/zinc/00/44/78/1067004478.db2.gz SDQGSZYFTYCJCZ-OFNKIYASSA-N 1 1 493.618 4.957 20 0 JJADMO CN(C)c1cc(Br)cc(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001458230951 1067008664 /nfs/dbraw/zinc/00/86/64/1067008664.db2.gz OVWCKXRHZJZQPP-SXSPYAJSSA-N 1 1 456.428 4.546 20 0 JJADMO CC[C@@H](c1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)C(C)C)c1ccccc1 ZINC001545741838 1067008857 /nfs/dbraw/zinc/00/88/57/1067008857.db2.gz XNVUTCTYBBTUEQ-XZOQPEGZSA-N 1 1 484.689 4.606 20 0 JJADMO CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001458234343 1067008873 /nfs/dbraw/zinc/00/88/73/1067008873.db2.gz VJYRJBHPNQCYRP-YCAMKHIRSA-N 1 1 457.659 4.733 20 0 JJADMO CC[C@H](c1nnc(N2CC[C@@]3(CCOC3)C2)n1CC[N@@H+](CC)CCC(F)(F)F)c1ccccc1 ZINC001545743056 1067009256 /nfs/dbraw/zinc/00/92/56/1067009256.db2.gz CTZQGHWSKRPXLY-XUZZJYLKSA-N 1 1 479.591 4.711 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(OC(C)(C)C)CC2)n1CCC[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001545743374 1067009297 /nfs/dbraw/zinc/00/92/97/1067009297.db2.gz IVHYBVXQBOSOHJ-AREMUKBSSA-N 1 1 496.744 4.632 20 0 JJADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001545743889 1067010548 /nfs/dbraw/zinc/01/05/48/1067010548.db2.gz SLNYTXSCZGOBSA-ZJSXRUAMSA-N 1 1 475.685 4.574 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC001545746745 1067015810 /nfs/dbraw/zinc/01/58/10/1067015810.db2.gz UJOMZHQAYJRDFT-LEWJYISDSA-N 1 1 479.591 4.710 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC001545748488 1067016976 /nfs/dbraw/zinc/01/69/76/1067016976.db2.gz BDQCBYBJPITTPC-UBFVSLLYSA-N 1 1 494.728 4.681 20 0 JJADMO CC[C@H](c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CC[N@@H+]1CC=CCC1)c1ccccc1 ZINC001545748495 1067017464 /nfs/dbraw/zinc/01/74/64/1067017464.db2.gz BFFTUXXLNICPAR-RPWUZVMVSA-N 1 1 451.659 4.866 20 0 JJADMO CCC[C@@H]1CN(C(=O)[C@@H](OC)c2ccc(Br)s2)CC[N@H+]1Cc1ccccc1 ZINC001458273333 1067018134 /nfs/dbraw/zinc/01/81/34/1067018134.db2.gz CHFZUGPKNQEWOU-XLIONFOSSA-N 1 1 451.430 4.711 20 0 JJADMO CC(C)[N@H+](Cc1ccc(NC(=O)c2cnc(-c3ncccn3)s2)cc1)C[C@H]1CCCCO1 ZINC001458273998 1067018495 /nfs/dbraw/zinc/01/84/95/1067018495.db2.gz FVYVLJKXUINMPB-HXUWFJFHSA-N 1 1 451.596 4.632 20 0 JJADMO CC[C@@H](C)[NH+]1CCN(C(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC001449628667 1067018540 /nfs/dbraw/zinc/01/85/40/1067018540.db2.gz WSIIVOISFGTUQS-QGZVFWFLSA-N 1 1 457.500 4.509 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@H](n3nc(C)nc3C)C2)n1CC[N@H+](C)[C@@H](C)CC)c1ccccc1 ZINC001545749557 1067020621 /nfs/dbraw/zinc/02/06/21/1067020621.db2.gz PPNBXOFKPYTTSB-KSNOWIBYSA-N 1 1 478.689 4.600 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@@H]2C(C)C)n1C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001545750046 1067022129 /nfs/dbraw/zinc/02/21/29/1067022129.db2.gz XJUZITTXFRDXNG-SKBVVQJISA-N 1 1 466.718 4.718 20 0 JJADMO CC[C@@H](c1nnc(N2CCCN(C(C)=O)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC001545751698 1067025077 /nfs/dbraw/zinc/02/50/77/1067025077.db2.gz KBIDFTSRBYYGJY-JYFHCDHNSA-N 1 1 480.701 4.533 20 0 JJADMO CSc1nc2ncnc(NC3CC[NH+](Cc4ccc(Br)cc4)CC3)c2s1 ZINC001458299982 1067025148 /nfs/dbraw/zinc/02/51/48/1067025148.db2.gz WNBIECCESSZKNA-UHFFFAOYSA-N 1 1 450.431 4.647 20 0 JJADMO CC[C@H](c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCCOC1CCOCC1)c1ccccc1 ZINC001545752014 1067026139 /nfs/dbraw/zinc/02/61/39/1067026139.db2.gz PFLDBUCGJAIDMA-VWLOTQADSA-N 1 1 483.701 4.716 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC1CCC(OC)CC1)c1ccccc1 ZINC001545752260 1067027304 /nfs/dbraw/zinc/02/73/04/1067027304.db2.gz UBSATDCFDLCREN-PUOLSWATSA-N 1 1 453.675 4.946 20 0 JJADMO CC[C@@H](c1nnc(N2CCCC[C@@H](SC)C2)n1CC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC001545752421 1067027972 /nfs/dbraw/zinc/02/79/72/1067027972.db2.gz XHZCBSVKLXYUBA-DHIUTWEWSA-N 1 1 471.715 4.653 20 0 JJADMO CC[C@H](c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC001545752550 1067028996 /nfs/dbraw/zinc/02/89/96/1067028996.db2.gz ZAKBIAORTOLDEM-RSXGOPAZSA-N 1 1 494.728 4.635 20 0 JJADMO CC[C@@H](Cn1c(N2CCC[N@H+](C(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 ZINC001546017494 1067030403 /nfs/dbraw/zinc/03/04/03/1067030403.db2.gz VRGWNPILWRTZIB-NEKDWFFYSA-N 1 1 483.701 4.823 20 0 JJADMO CC[C@]1(C)CN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCCn2cc[nH+]c2C)CCO1 ZINC001546099552 1067034194 /nfs/dbraw/zinc/03/41/94/1067034194.db2.gz HMYILUXYRUOXIJ-HHHXNRCGSA-N 1 1 480.657 4.889 20 0 JJADMO Cn1c(C(=O)N2CC[N@@H+](C)C3(CCCCC3)C2)ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001449886194 1067034432 /nfs/dbraw/zinc/03/44/32/1067034432.db2.gz AUJSIQFRBAMIPY-OAQYLSRUSA-N 1 1 458.647 4.578 20 0 JJADMO C[C@H](NC(=O)CCc1ccccc1NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001458345956 1067037397 /nfs/dbraw/zinc/03/73/97/1067037397.db2.gz DEIDIOSVLLKNQG-NZQKXSOJSA-N 1 1 451.611 4.993 20 0 JJADMO CC[C@H](c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1CC1CCC(F)(F)CC1)c1ccccc1 ZINC001545758352 1067037579 /nfs/dbraw/zinc/03/75/79/1067037579.db2.gz FDQRHYSJEJUSLE-OFNKIYASSA-N 1 1 475.628 4.802 20 0 JJADMO CC[C@H](c1nnc(N2CCN(CC)[C@H](C)C2)n1CC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC001545758415 1067037818 /nfs/dbraw/zinc/03/78/18/1067037818.db2.gz GSTSANMXHYERRQ-VWNXMTODSA-N 1 1 452.691 4.615 20 0 JJADMO Cc1cccc(CNC(=O)c2ccc(C(=O)N[C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)c1 ZINC001458349585 1067039060 /nfs/dbraw/zinc/03/90/60/1067039060.db2.gz MYAJZLQKCSSOLF-AMGIVPHBSA-N 1 1 455.602 4.565 20 0 JJADMO CC[C@H](c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CC[N@@H+](CC)C(C)C)c1ccccc1 ZINC001545758643 1067039380 /nfs/dbraw/zinc/03/93/80/1067039380.db2.gz KIXXVHJJTULBQJ-VWLOTQADSA-N 1 1 480.701 4.532 20 0 JJADMO CC[C@H](c1nnc(N2CC[N@@H+](CCOC)[C@@H](CC)C2)n1CC1(C)CCCC1)c1ccccc1 ZINC001545758765 1067039784 /nfs/dbraw/zinc/03/97/84/1067039784.db2.gz MILWMVTXBXSJAP-ZEQRLZLVSA-N 1 1 453.675 4.947 20 0 JJADMO CC[C@@H](c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@@H](C)SC)c1ccccc1 ZINC001545759444 1067042622 /nfs/dbraw/zinc/04/26/22/1067042622.db2.gz XZSWSBPCESOKQB-DENIHFKCSA-N 1 1 455.697 4.955 20 0 JJADMO O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC001450046618 1067044228 /nfs/dbraw/zinc/04/42/28/1067044228.db2.gz JPKSVVYYSBCQIV-LEWJYISDSA-N 1 1 459.403 4.891 20 0 JJADMO CC[C@]1(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](C)[N@@H+](C)C2CC2)CCO1 ZINC001546099843 1067044925 /nfs/dbraw/zinc/04/49/25/1067044925.db2.gz NTCJTOWDORCVRU-NFQMXDRXSA-N 1 1 469.674 4.643 20 0 JJADMO CC[C@H](c1nnc(N2CCN3CCCC[C@@H]3C2)n1CC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC001545761438 1067045402 /nfs/dbraw/zinc/04/54/02/1067045402.db2.gz RLHAATUZAPCWPI-RPBOFIJWSA-N 1 1 452.691 4.613 20 0 JJADMO CC[C@@H](c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC001545761759 1067045823 /nfs/dbraw/zinc/04/58/23/1067045823.db2.gz WQDXMHLQNJYJOG-KSEOMHKRSA-N 1 1 479.591 4.708 20 0 JJADMO CC[C@@H](c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC001545761760 1067045980 /nfs/dbraw/zinc/04/59/80/1067045980.db2.gz WQDXMHLQNJYJOG-NNWRFLSQSA-N 1 1 479.591 4.708 20 0 JJADMO CC[C@H](c1nnc(N2CCSC(CC)(CC)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC001545765403 1067050350 /nfs/dbraw/zinc/05/03/50/1067050350.db2.gz AQROXLUWWNWIAX-DEOSSOPVSA-N 1 1 498.785 4.958 20 0 JJADMO CC[C@H](c1nnc(N2CCSC(CC)(CC)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001545765403 1067050367 /nfs/dbraw/zinc/05/03/67/1067050367.db2.gz AQROXLUWWNWIAX-DEOSSOPVSA-N 1 1 498.785 4.958 20 0 JJADMO CC[C@H](c1nnc(N2CCSC(CC)(CC)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001545765403 1067050374 /nfs/dbraw/zinc/05/03/74/1067050374.db2.gz AQROXLUWWNWIAX-DEOSSOPVSA-N 1 1 498.785 4.958 20 0 JJADMO O=C(NCCc1cccc(C(F)(F)F)n1)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001450122878 1067050872 /nfs/dbraw/zinc/05/08/72/1067050872.db2.gz ULOUQQZCXLPHQA-QFIPXVFZSA-N 1 1 459.487 4.800 20 0 JJADMO Cc1c(C(=O)N(Cc2ccncc2)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cnn1CCC(C)C ZINC001450131987 1067051859 /nfs/dbraw/zinc/05/18/59/1067051859.db2.gz CLECQCJIGKUZSH-SANMLTNESA-N 1 1 459.638 4.940 20 0 JJADMO CC[C@@H](c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC001545766559 1067052147 /nfs/dbraw/zinc/05/21/47/1067052147.db2.gz VIESRWYIWZGRJT-SDUSCBPUSA-N 1 1 453.675 4.682 20 0 JJADMO C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)C3(c4cccc(F)c4)CCCC3)cc2)C[C@H]1C ZINC001458398371 1067052040 /nfs/dbraw/zinc/05/20/40/1067052040.db2.gz RXWJVXONQQMYGS-SZPZYZBQSA-N 1 1 452.614 4.963 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCC[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001545767881 1067053129 /nfs/dbraw/zinc/05/31/29/1067053129.db2.gz ISFNAPBDGHVERH-AOHZBQACSA-N 1 1 488.671 4.575 20 0 JJADMO CCC(CC)(Cn1c(C(C)C)nnc1N1CCC[N@H+](C(C)(C)C)CC1)NC(=O)OC(C)(C)C ZINC001545770031 1067055735 /nfs/dbraw/zinc/05/57/35/1067055735.db2.gz SCQHLZJKVNYRAT-UHFFFAOYSA-N 1 1 464.699 4.796 20 0 JJADMO CCC(CC)(Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C)SC ZINC001545770942 1067056724 /nfs/dbraw/zinc/05/67/24/1067056724.db2.gz AISSJLZQGXLTRD-SJLPKXTDSA-N 1 1 495.535 4.641 20 0 JJADMO COc1ccc([C@H](O)C2CCN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3CC(C)C)CC2)cc1 ZINC001450193238 1067058288 /nfs/dbraw/zinc/05/82/88/1067058288.db2.gz HNHYJXVNKWEXLZ-KZQOYIJHSA-N 1 1 464.650 4.762 20 0 JJADMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)C[C@H]1C ZINC001458431122 1067058865 /nfs/dbraw/zinc/05/88/65/1067058865.db2.gz PDDNFNCYIUNFIL-SJORKVTESA-N 1 1 458.400 4.565 20 0 JJADMO CCC(CC)(Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)SC ZINC001545771696 1067059757 /nfs/dbraw/zinc/05/97/57/1067059757.db2.gz XECPCJVXVJHXAX-QUCCMNQESA-N 1 1 494.105 4.514 20 0 JJADMO CCC(CC)(Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)SC ZINC001545771696 1067059771 /nfs/dbraw/zinc/05/97/71/1067059771.db2.gz XECPCJVXVJHXAX-QUCCMNQESA-N 1 1 494.105 4.514 20 0 JJADMO CCC(CC)(Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)SC ZINC001545771694 1067059962 /nfs/dbraw/zinc/05/99/62/1067059962.db2.gz XECPCJVXVJHXAX-AZUAARDMSA-N 1 1 494.105 4.514 20 0 JJADMO CCC(CC)(Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)SC ZINC001545771694 1067059969 /nfs/dbraw/zinc/05/99/69/1067059969.db2.gz XECPCJVXVJHXAX-AZUAARDMSA-N 1 1 494.105 4.514 20 0 JJADMO CCC(CC)(Cn1c(-c2cccc(Cl)c2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1)SC ZINC001545772690 1067061303 /nfs/dbraw/zinc/06/13/03/1067061303.db2.gz JAZOCYZUODMDCA-SFHVURJKSA-N 1 1 466.095 4.677 20 0 JJADMO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(Cl)nc2C(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458445836 1067062451 /nfs/dbraw/zinc/06/24/51/1067062451.db2.gz FEFADERTNZNQNX-BDJLRTHQSA-N 1 1 450.263 4.969 20 0 JJADMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(Cl)nc2C(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458445836 1067062466 /nfs/dbraw/zinc/06/24/66/1067062466.db2.gz FEFADERTNZNQNX-BDJLRTHQSA-N 1 1 450.263 4.969 20 0 JJADMO COc1ccc(Br)cc1C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458447255 1067063365 /nfs/dbraw/zinc/06/33/65/1067063365.db2.gz KPYREPLZYHWMJK-BFUOFWGJSA-N 1 1 455.755 4.673 20 0 JJADMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458448239 1067063667 /nfs/dbraw/zinc/06/36/67/1067063667.db2.gz NOGCCJLWHBAHSS-KNQAVFIVSA-N 1 1 459.993 4.564 20 0 JJADMO CCC(CC)(Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](Cc2ccccc2OC)CC1)OC ZINC001545774005 1067064289 /nfs/dbraw/zinc/06/42/89/1067064289.db2.gz ASYBZFITYKMOQU-UHFFFAOYSA-N 1 1 499.059 4.530 20 0 JJADMO CCC(CC)(Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)OC ZINC001545774562 1067067344 /nfs/dbraw/zinc/06/73/44/1067067344.db2.gz TVSHTLPTPMKYNF-QFIPXVFZSA-N 1 1 485.673 4.621 20 0 JJADMO CCC(CC)(Cn1c(-c2ccccc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545775755 1067069400 /nfs/dbraw/zinc/06/94/00/1067069400.db2.gz JPEVKESPCHRZFL-UNMCSNQZSA-N 1 1 482.673 4.702 20 0 JJADMO CN(C)c1cc(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(Cl)ccc2Cl)C3=O)cc[nH+]1 ZINC001458490200 1067073902 /nfs/dbraw/zinc/07/39/02/1067073902.db2.gz FKWZQDRZQNCTKR-UHFFFAOYSA-N 1 1 455.301 4.507 20 0 JJADMO COc1ccccc1[C@@H]1[C@@H](C(=O)Nc2cc[nH+]c(N(C)C)c2)CCC(=O)N1c1ccc(C)cc1 ZINC001458493053 1067074524 /nfs/dbraw/zinc/07/45/24/1067074524.db2.gz UWANLVMLCDPDQB-BKMJKUGQSA-N 1 1 458.562 4.588 20 0 JJADMO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)NCc2cccnc2OCC(F)F)c1 ZINC001458522411 1067080433 /nfs/dbraw/zinc/08/04/33/1067080433.db2.gz ZVNOLLYTIBUEPP-BJKOFHAPSA-N 1 1 465.544 4.566 20 0 JJADMO CC[C@]1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2CCC[N@H+]2CCCC[C@H]2C)CCO1 ZINC001546101703 1067080948 /nfs/dbraw/zinc/08/09/48/1067080948.db2.gz JJJSXLCDOWVZTL-CJFMBICVSA-N 1 1 476.065 4.780 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2Nc2nc(OC)cc(C(F)(F)F)n2)cc1 ZINC001458529729 1067082313 /nfs/dbraw/zinc/08/23/13/1067082313.db2.gz HWOVKGAKNAAZDH-VQTJNVASSA-N 1 1 458.484 4.593 20 0 JJADMO CC[C@]1(C)CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCCn2cc[nH+]c2C)CCO1 ZINC001546101797 1067082732 /nfs/dbraw/zinc/08/27/32/1067082732.db2.gz LOIQHEFZJJELRE-HSZRJFAPSA-N 1 1 493.439 4.764 20 0 JJADMO CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)OC ZINC001545789787 1067086542 /nfs/dbraw/zinc/08/65/42/1067086542.db2.gz TVWSNZHFSNRCNJ-VWNXMTODSA-N 1 1 468.690 4.560 20 0 JJADMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)[C@@H](Oc2cccc(Br)c2)c2ccccc2)C1 ZINC001458586441 1067090697 /nfs/dbraw/zinc/09/06/97/1067090697.db2.gz KGCKIOMNBUZJQX-PKTZIBPZSA-N 1 1 451.364 4.872 20 0 JJADMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)[C@@H](Oc2cccc(Br)c2)c2ccccc2)C1 ZINC001458586441 1067090709 /nfs/dbraw/zinc/09/07/09/1067090709.db2.gz KGCKIOMNBUZJQX-PKTZIBPZSA-N 1 1 451.364 4.872 20 0 JJADMO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N[C@H]3CC(C)(C)Oc4ccc(NC(=O)OC(C)(C)C)cc43)C[N@H+]2C1 ZINC001450555131 1067091490 /nfs/dbraw/zinc/09/14/90/1067091490.db2.gz OHJIDHFBZAIEOZ-REHHDOPLSA-N 1 1 457.615 4.872 20 0 JJADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCC[C@@H](COc4ccccc4Cl)C3)cc2)C[C@@H](C)O1 ZINC001458593445 1067091562 /nfs/dbraw/zinc/09/15/62/1067091562.db2.gz MOXPPDHTWDTEBL-KCZVDYSFSA-N 1 1 457.014 4.880 20 0 JJADMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](Oc1ccc(F)cc1Br)c1ccccc1 ZINC001450604391 1067094113 /nfs/dbraw/zinc/09/41/13/1067094113.db2.gz GKYOOUXTOJZYFO-IERDGZPVSA-N 1 1 451.380 4.945 20 0 JJADMO COc1ccc(CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[C@H](C)C2CC2)c(OC)c1 ZINC001450710032 1067108867 /nfs/dbraw/zinc/10/88/67/1067108867.db2.gz ILNJFFCQZPOIQD-XXBNENTESA-N 1 1 454.586 4.882 20 0 JJADMO CCC(CC)[C@H](CCn1c(Cc2ccccc2F)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C)OC ZINC001545803005 1067111252 /nfs/dbraw/zinc/11/12/52/1067111252.db2.gz GFKSUQUZXYSDAN-UCFCWBNQSA-N 1 1 457.638 4.522 20 0 JJADMO CCC(CC)[C@H](CCn1c(Cc2ccccc2F)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C)OC ZINC001545803003 1067111353 /nfs/dbraw/zinc/11/13/53/1067111353.db2.gz GFKSUQUZXYSDAN-CKUXNOBLSA-N 1 1 457.638 4.522 20 0 JJADMO COc1ccc(-c2nc(C)c(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C)s2)cc1OC ZINC001450807638 1067123990 /nfs/dbraw/zinc/12/39/90/1067123990.db2.gz XHFYANGYVIISPI-FXAWDEMLSA-N 1 1 451.592 4.529 20 0 JJADMO CC[C@H](c1nnc(S[C@H]2CCO[C@H](c3cccnc3)C2)n1-c1ccc(OC)cc1)[NH+](C)C ZINC001458738186 1067126926 /nfs/dbraw/zinc/12/69/26/1067126926.db2.gz RXLLMDDALBNOHZ-BDTNDASRSA-N 1 1 453.612 4.696 20 0 JJADMO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CCC2)CC1)[NH+](C)C ZINC001545807738 1067128202 /nfs/dbraw/zinc/12/82/02/1067128202.db2.gz NLCKXQXAZYZWSK-QHCPKHFHSA-N 1 1 459.082 4.639 20 0 JJADMO CCOc1ccc(-n2c(SC[C@H](C)C[NH+]3CCOCC3)nnc2-c2cccc(C)c2)cc1 ZINC001458744739 1067129613 /nfs/dbraw/zinc/12/96/13/1067129613.db2.gz FIQWLYGWTWMNJF-HXUWFJFHSA-N 1 1 452.624 4.702 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC[C@H]1c1ccc(F)cc1 ZINC001451050054 1067144219 /nfs/dbraw/zinc/14/42/19/1067144219.db2.gz TWQNJKHKNOQSNI-GVAUOCQISA-N 1 1 481.612 4.700 20 0 JJADMO CC(C)(C)OC(=O)c1ccc(Br)c(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001458785738 1067146564 /nfs/dbraw/zinc/14/65/64/1067146564.db2.gz XWIVJXKXRKMMAP-SFHVURJKSA-N 1 1 459.384 4.865 20 0 JJADMO Cc1[nH]c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)c(C)c1C(=O)OC(C)C ZINC001451109047 1067146674 /nfs/dbraw/zinc/14/66/74/1067146674.db2.gz JQUNBAVNDIRVKV-BJKOFHAPSA-N 1 1 477.580 4.734 20 0 JJADMO C[C@H](CC(=O)c1ccccc1F)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001451110422 1067147534 /nfs/dbraw/zinc/14/75/34/1067147534.db2.gz NVGSRLZLNRBBEG-YZXAJQSBSA-N 1 1 462.540 4.958 20 0 JJADMO C[C@H](CC(=O)c1ccccc1F)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001451110422 1067147538 /nfs/dbraw/zinc/14/75/38/1067147538.db2.gz NVGSRLZLNRBBEG-YZXAJQSBSA-N 1 1 462.540 4.958 20 0 JJADMO CCC(CC)[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN2CCCC[C@@H]2C1)[NH+](C)C ZINC001545819684 1067155578 /nfs/dbraw/zinc/15/55/78/1067155578.db2.gz KJNYRRMMZYWDGK-VWNXMTODSA-N 1 1 489.108 4.551 20 0 JJADMO Cc1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)nc(C)c1Br ZINC001458824894 1067158079 /nfs/dbraw/zinc/15/80/79/1067158079.db2.gz YKBTYRLDHIZQES-QZTJIDSGSA-N 1 1 471.424 4.772 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545830406 1067181656 /nfs/dbraw/zinc/18/16/56/1067181656.db2.gz UFQJIHGUOSTEFK-CUDBPUKSSA-N 1 1 460.711 4.579 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2C)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001545836128 1067188542 /nfs/dbraw/zinc/18/85/42/1067188542.db2.gz CIGNSTRUKKYNCW-HXUWFJFHSA-N 1 1 468.690 4.652 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001451879780 1067195872 /nfs/dbraw/zinc/19/58/72/1067195872.db2.gz VEDFDQZITNDPEE-SGNDLWITSA-N 1 1 455.643 4.583 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H](C)C2)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001545848525 1067199980 /nfs/dbraw/zinc/19/99/80/1067199980.db2.gz CASVQVXISFREJK-GBAAUQCPSA-N 1 1 480.701 4.589 20 0 JJADMO COCC[N@H+]1CCC[C@@H](NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1 ZINC001451966725 1067201232 /nfs/dbraw/zinc/20/12/32/1067201232.db2.gz IUJJLIFLOSKXCN-HSZRJFAPSA-N 1 1 454.014 4.503 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001545848905 1067201796 /nfs/dbraw/zinc/20/17/96/1067201796.db2.gz HVJZRBAESWJNCM-ONTNHIFESA-N 1 1 494.728 4.980 20 0 JJADMO CCC1(CC)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001546105107 1067208075 /nfs/dbraw/zinc/20/80/75/1067208075.db2.gz VEKJVLZKOWXSFP-QFIPXVFZSA-N 1 1 491.627 4.920 20 0 JJADMO CCc1onc(-c2ccc(Br)cc2)c1C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC001452180961 1067212716 /nfs/dbraw/zinc/21/27/16/1067212716.db2.gz XUEWBMNAFVNQMH-QUCCMNQESA-N 1 1 468.395 4.742 20 0 JJADMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cc(F)c(Oc2ccccc2)c(F)c1 ZINC001458970700 1067213138 /nfs/dbraw/zinc/21/31/38/1067213138.db2.gz CXHMRCYAHRIOQH-QFIPXVFZSA-N 1 1 452.501 4.778 20 0 JJADMO CCC(O)(CC)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001546039577 1067230004 /nfs/dbraw/zinc/23/00/04/1067230004.db2.gz DQMSKUKNYSVBRF-QFIPXVFZSA-N 1 1 497.709 4.970 20 0 JJADMO COC(=O)c1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)c(OC)c1 ZINC001459047962 1067238742 /nfs/dbraw/zinc/23/87/42/1067238742.db2.gz HREXJLXQWHPMBD-XZOQPEGZSA-N 1 1 478.976 4.990 20 0 JJADMO Cc1cc(C)c(C(=O)N(C)Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1Br ZINC001452690656 1067244312 /nfs/dbraw/zinc/24/43/12/1067244312.db2.gz JVDNPXZILRBULB-KDURUIRLSA-N 1 1 459.428 4.947 20 0 JJADMO CCC(O)(CC)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001546042871 1067248168 /nfs/dbraw/zinc/24/81/68/1067248168.db2.gz AHHOWBMABZWQAY-QLBJFCOMSA-N 1 1 497.728 4.849 20 0 JJADMO Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N3C[C@H](C)[N@H+](Cc4ccccc4)[C@@H](C)[C@@H]3C)c2)n1 ZINC001452767970 1067250098 /nfs/dbraw/zinc/25/00/98/1067250098.db2.gz HHTOXNDSSBQGIL-ACRUOGEOSA-N 1 1 459.594 4.666 20 0 JJADMO Cc1cccc(-c2noc(SCC(=O)N3C[C@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)[C@@H]3C)n2)c1 ZINC001452777950 1067251231 /nfs/dbraw/zinc/25/12/31/1067251231.db2.gz SGODDXOQDSVUSN-UFYCRDLUSA-N 1 1 450.608 4.647 20 0 JJADMO Cc1cccc(-c2noc(SCC(=O)N3C[C@H](C)[N@H+](Cc4ccccc4)[C@@H](C)[C@@H]3C)n2)c1 ZINC001452777950 1067251239 /nfs/dbraw/zinc/25/12/39/1067251239.db2.gz SGODDXOQDSVUSN-UFYCRDLUSA-N 1 1 450.608 4.647 20 0 JJADMO CCC1(CC)CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001546106353 1067252097 /nfs/dbraw/zinc/25/20/97/1067252097.db2.gz UCCUJHGGCMPTFA-QGZVFWFLSA-N 1 1 466.457 4.989 20 0 JJADMO CCC1(CC)CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001546106353 1067252101 /nfs/dbraw/zinc/25/21/01/1067252101.db2.gz UCCUJHGGCMPTFA-QGZVFWFLSA-N 1 1 466.457 4.989 20 0 JJADMO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1C(=O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001452946668 1067266695 /nfs/dbraw/zinc/26/66/95/1067266695.db2.gz HBKDPUNGJWTAGJ-FGCOXFRFSA-N 1 1 454.586 4.748 20 0 JJADMO O=C(NC[C@@H](c1ccccc1)C(F)(F)F)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001459186311 1067268277 /nfs/dbraw/zinc/26/82/77/1067268277.db2.gz QZGQHEYAFCZWSU-VXNXHJTFSA-N 1 1 453.508 4.760 20 0 JJADMO CC[N@@H+](Cc1ccc(C(=O)N(CC(=O)OC)Cc2ccc(C(F)(F)F)cc2)cc1)C(C)C ZINC001459278235 1067281408 /nfs/dbraw/zinc/28/14/08/1067281408.db2.gz INNNAGAMLRXHKA-UHFFFAOYSA-N 1 1 450.501 4.751 20 0 JJADMO Cc1nc(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)nn1-c1c(Cl)cccc1Cl ZINC001459317556 1067292808 /nfs/dbraw/zinc/29/28/08/1067292808.db2.gz XHWHFFZGFXGUSH-FQEVSTJZSA-N 1 1 458.393 4.523 20 0 JJADMO CCOC(=O)c1c(NC(=O)C[N@H+](C)CCCOc2ccccc2C)sc2c1CC[C@H](C)C2 ZINC001459331896 1067296887 /nfs/dbraw/zinc/29/68/87/1067296887.db2.gz HWJDXQYPKKSIPZ-KRWDZBQOSA-N 1 1 458.624 4.697 20 0 JJADMO CCOC(=O)c1c(NC(=O)C[N@@H+](C)CCCOc2ccccc2C)sc2c1CC[C@H](C)C2 ZINC001459331896 1067296893 /nfs/dbraw/zinc/29/68/93/1067296893.db2.gz HWJDXQYPKKSIPZ-KRWDZBQOSA-N 1 1 458.624 4.697 20 0 JJADMO CCOC(=O)c1c(NC(=O)C[N@@H+](C)CCCc2ccc(OC)cc2)sc2c1CC[C@H](C)C2 ZINC001459348403 1067300129 /nfs/dbraw/zinc/30/01/29/1067300129.db2.gz JHMAAXWINIZTLQ-KRWDZBQOSA-N 1 1 458.624 4.561 20 0 JJADMO CCOC(=O)c1c(NC(=O)C[N@@H+](C)CCCc2ccc(OC)cc2)sc2c1CC[C@@H](C)C2 ZINC001459348407 1067300243 /nfs/dbraw/zinc/30/02/43/1067300243.db2.gz JHMAAXWINIZTLQ-QGZVFWFLSA-N 1 1 458.624 4.561 20 0 JJADMO Cc1ccc(S(=O)(=O)N[C@@H](C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c2ccccc2)cc1 ZINC001459350432 1067300665 /nfs/dbraw/zinc/30/06/65/1067300665.db2.gz XQGGRMHTCNVDBP-RSXGOPAZSA-N 1 1 452.595 4.861 20 0 JJADMO CC[N@H+](C)[C@H](C(=O)Nc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1)c1ccccc1 ZINC001453395330 1067303580 /nfs/dbraw/zinc/30/35/80/1067303580.db2.gz GVERJWIKJPQOJY-PKTZIBPZSA-N 1 1 453.583 4.627 20 0 JJADMO CC[N@@H+](C)[C@H](C(=O)Nc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1)c1ccccc1 ZINC001453395330 1067303591 /nfs/dbraw/zinc/30/35/91/1067303591.db2.gz GVERJWIKJPQOJY-PKTZIBPZSA-N 1 1 453.583 4.627 20 0 JJADMO CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)cc2)C1 ZINC001453400568 1067304454 /nfs/dbraw/zinc/30/44/54/1067304454.db2.gz NRRGLWZONFIKJT-NZQKXSOJSA-N 1 1 457.615 4.588 20 0 JJADMO COCC[N@H+](CC(=O)N[C@@H](C)Cc1c(F)cccc1F)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001459373354 1067306164 /nfs/dbraw/zinc/30/61/64/1067306164.db2.gz BEOAVSMRQLMKAD-HOTGVXAUSA-N 1 1 458.471 4.740 20 0 JJADMO COCC[N@@H+](CC(=O)N[C@@H](C)Cc1c(F)cccc1F)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001459373354 1067306170 /nfs/dbraw/zinc/30/61/70/1067306170.db2.gz BEOAVSMRQLMKAD-HOTGVXAUSA-N 1 1 458.471 4.740 20 0 JJADMO CC(C)[C@H]1CN(C(=O)Cc2ccccc2NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001453496722 1067309584 /nfs/dbraw/zinc/30/95/84/1067309584.db2.gz NVIALTXBMLWMRQ-XMMPIXPASA-N 1 1 451.611 4.945 20 0 JJADMO CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)C[N@@H+](CC)[C@@H](C)C(C)C ZINC001459385212 1067309509 /nfs/dbraw/zinc/30/95/09/1067309509.db2.gz WXVYKQPUSXBQFL-KRWDZBQOSA-N 1 1 459.612 4.790 20 0 JJADMO CC(C)[C@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001453495256 1067309656 /nfs/dbraw/zinc/30/96/56/1067309656.db2.gz KSIMVKDXFHIUBT-RPWUZVMVSA-N 1 1 451.611 4.621 20 0 JJADMO CC(C)[C@@H]1CN(C(=O)Cn2c3ccccc3nc2SC(F)F)CC[N@H+]1Cc1ccccc1 ZINC001453498374 1067309811 /nfs/dbraw/zinc/30/98/11/1067309811.db2.gz SVNCYKFYAUVAJW-NRFANRHFSA-N 1 1 458.578 4.720 20 0 JJADMO C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 ZINC001453575090 1067315395 /nfs/dbraw/zinc/31/53/95/1067315395.db2.gz GHNKUAFNVSSAHM-LJQANCHMSA-N 1 1 456.662 4.780 20 0 JJADMO COc1ccc(OC)c(-c2csc(NC(=O)C[NH+]3CCC(n4c(C)ccc4C)CC3)n2)c1 ZINC001459411478 1067315977 /nfs/dbraw/zinc/31/59/77/1067315977.db2.gz IPTAIGBQJGVKJU-UHFFFAOYSA-N 1 1 454.596 4.521 20 0 JJADMO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC001459411854 1067316466 /nfs/dbraw/zinc/31/64/66/1067316466.db2.gz BTMXIVGCGXDCQS-OAHLLOKOSA-N 1 1 459.363 4.870 20 0 JJADMO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1 ZINC001459439659 1067325655 /nfs/dbraw/zinc/32/56/55/1067325655.db2.gz IIIUTQFPLDDHHE-FDDCHVKYSA-N 1 1 450.501 4.862 20 0 JJADMO CC(C)[N@@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)C[C@H](O)COc1cccc2ccccc21 ZINC001459444711 1067325931 /nfs/dbraw/zinc/32/59/31/1067325931.db2.gz CXXJOAWASRSYGW-IBGZPJMESA-N 1 1 453.489 4.818 20 0 JJADMO CC(C)[N@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)C[C@H](O)COc1cccc2ccccc21 ZINC001459444711 1067325943 /nfs/dbraw/zinc/32/59/43/1067325943.db2.gz CXXJOAWASRSYGW-IBGZPJMESA-N 1 1 453.489 4.818 20 0 JJADMO COc1cccc(OC)c1OC[C@H](O)C[N@@H+](Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC001459451679 1067327220 /nfs/dbraw/zinc/32/72/20/1067327220.db2.gz SDKQVJVHDXWBCC-LJQANCHMSA-N 1 1 453.501 4.907 20 0 JJADMO COC(=O)c1ccc(Br)c(C[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC001459457669 1067328651 /nfs/dbraw/zinc/32/86/51/1067328651.db2.gz RWGMYYNPAFATJZ-FQEVSTJZSA-N 1 1 452.776 4.835 20 0 JJADMO C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC001459458962 1067329031 /nfs/dbraw/zinc/32/90/31/1067329031.db2.gz VGTCZKUHDGRWEQ-VLIAUNLRSA-N 1 1 451.792 4.875 20 0 JJADMO CC(C)(CC[NH+]1CCOCC1)NC(=O)Cc1sc(-c2cccs2)nc1-c1ccccc1 ZINC001453832284 1067331902 /nfs/dbraw/zinc/33/19/02/1067331902.db2.gz SBEZMCFTWQQRHI-UHFFFAOYSA-N 1 1 455.649 4.698 20 0 JJADMO Cc1cccc(O[C@@H](C)C(=O)N2CC[NH+](CC/C=C\c3ccc(Br)cc3)CC2)c1 ZINC001459493890 1067338699 /nfs/dbraw/zinc/33/86/99/1067338699.db2.gz YJWOTCQMIGNQKZ-CTKIROQKSA-N 1 1 457.412 4.773 20 0 JJADMO CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)C[N@H+]1C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001459510689 1067341743 /nfs/dbraw/zinc/34/17/43/1067341743.db2.gz DARJFHJTTSHQBM-ZRBLBEILSA-N 1 1 459.631 4.755 20 0 JJADMO COc1cccc(C[N@H+](CC(=O)Nc2nc(-c3cccs3)cs2)C2CCC(O)CC2)c1 ZINC001459527681 1067344970 /nfs/dbraw/zinc/34/49/70/1067344970.db2.gz MQZDZRNZJGNNLE-UHFFFAOYSA-N 1 1 457.621 4.624 20 0 JJADMO COc1cccc(C[N@@H+](CC(=O)Nc2nc(-c3cccs3)cs2)C2CCC(O)CC2)c1 ZINC001459527681 1067344980 /nfs/dbraw/zinc/34/49/80/1067344980.db2.gz MQZDZRNZJGNNLE-UHFFFAOYSA-N 1 1 457.621 4.624 20 0 JJADMO COc1cccc(C[N@@H+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)C2CCC(O)CC2)c1 ZINC001459529254 1067345855 /nfs/dbraw/zinc/34/58/55/1067345855.db2.gz OTVIGBDHVQEWAD-CBNMVNINSA-N 1 1 454.394 4.547 20 0 JJADMO CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001459538322 1067347354 /nfs/dbraw/zinc/34/73/54/1067347354.db2.gz DVVMCFQGUUQONJ-LJQANCHMSA-N 1 1 451.592 4.593 20 0 JJADMO CC(C)(C)OC(=O)N1C[C@H]([N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)[C@H](O)c2ccccc21 ZINC001459546342 1067348673 /nfs/dbraw/zinc/34/86/73/1067348673.db2.gz WANUUDOIPFUZIT-JKFKMHIGSA-N 1 1 454.542 4.578 20 0 JJADMO CC(C)(C)OC(=O)N1C[C@H]([N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)[C@@H](O)c2ccccc21 ZINC001459546346 1067348713 /nfs/dbraw/zinc/34/87/13/1067348713.db2.gz WANUUDOIPFUZIT-OEOAZWSVSA-N 1 1 454.542 4.578 20 0 JJADMO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC001459561071 1067351859 /nfs/dbraw/zinc/35/18/59/1067351859.db2.gz CEYSZFLXEUSPCS-FYYLOGMGSA-N 1 1 456.428 4.507 20 0 JJADMO Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)cc1 ZINC001459567320 1067354177 /nfs/dbraw/zinc/35/41/77/1067354177.db2.gz VBIIOGMAPHRXKL-CZTZKLFOSA-N 1 1 459.512 4.869 20 0 JJADMO CCC[N@@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC001459574309 1067355292 /nfs/dbraw/zinc/35/52/92/1067355292.db2.gz DWHRILHEANXWSS-LOSJGSFVSA-N 1 1 457.659 4.692 20 0 JJADMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC001459582207 1067356251 /nfs/dbraw/zinc/35/62/51/1067356251.db2.gz MPJCRVJWIWUVOX-DOTOQJQBSA-N 1 1 456.484 4.758 20 0 JJADMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C1 ZINC001459581696 1067356768 /nfs/dbraw/zinc/35/67/68/1067356768.db2.gz UMPIXCHLFRLSPB-QGZVFWFLSA-N 1 1 454.924 4.728 20 0 JJADMO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC001459605928 1067361054 /nfs/dbraw/zinc/36/10/54/1067361054.db2.gz DWLLZZFTSVJMSB-DEOSSOPVSA-N 1 1 451.014 4.986 20 0 JJADMO CCC[N@@H+](C)C[C@H]1CCN(CC(=O)Nc2cc(-c3cc(C)cc(C)c3)nn2-c2ccccc2)C1 ZINC001459606778 1067361671 /nfs/dbraw/zinc/36/16/71/1067361671.db2.gz HJVUPLFGNLYLDT-HSZRJFAPSA-N 1 1 459.638 4.758 20 0 JJADMO Cc1cc(NC(=O)C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)n(-c2ccc(F)cc2)n1 ZINC001459611886 1067363545 /nfs/dbraw/zinc/36/35/45/1067363545.db2.gz YTSTVFXNNKGQGR-LEWJYISDSA-N 1 1 456.587 4.688 20 0 JJADMO CCc1ccc(-c2cc(NC(=O)CN(C)[C@@H]3CC[N@H+](CC)[C@H](C)C3)n(-c3ccccc3)n2)cc1 ZINC001459612447 1067364272 /nfs/dbraw/zinc/36/42/72/1067364272.db2.gz FOSLFPJFTDHEMJ-PXDATVDWSA-N 1 1 459.638 4.845 20 0 JJADMO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cc3ccccc3[nH]2)cc1 ZINC001459626249 1067367296 /nfs/dbraw/zinc/36/72/96/1067367296.db2.gz ZZXZQRSLXWUPPX-SFHVURJKSA-N 1 1 456.546 4.888 20 0 JJADMO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cc3ccccc3[nH]2)cc1 ZINC001459626249 1067367309 /nfs/dbraw/zinc/36/73/09/1067367309.db2.gz ZZXZQRSLXWUPPX-SFHVURJKSA-N 1 1 456.546 4.888 20 0 JJADMO CC[C@@H]1C[N@@H+](Cc2nc3cc(S(=O)(=O)N(CC)CC)ccc3[nH]2)CC[C@@H]1c1ccccc1 ZINC001459627877 1067367899 /nfs/dbraw/zinc/36/78/99/1067367899.db2.gz PPVUYANZXZJFEY-KNQAVFIVSA-N 1 1 454.640 4.609 20 0 JJADMO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc(C(=O)N(C)Cc3ccccc3)cn2)c1 ZINC001459664285 1067375767 /nfs/dbraw/zinc/37/57/67/1067375767.db2.gz PPIYBOYQZJPEGP-RUZDIDTESA-N 1 1 456.590 4.655 20 0 JJADMO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(C(=O)N(C)Cc3ccccc3)cn2)c1 ZINC001459664285 1067375779 /nfs/dbraw/zinc/37/57/79/1067375779.db2.gz PPIYBOYQZJPEGP-RUZDIDTESA-N 1 1 456.590 4.655 20 0 JJADMO CCOc1ccc([C@H](C)NC(=O)C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)cc1OC ZINC001459664548 1067375983 /nfs/dbraw/zinc/37/59/83/1067375983.db2.gz AFQIBKRKXCLXPN-TUACAJSNSA-N 1 1 454.611 4.639 20 0 JJADMO CCc1ccc(NC(=O)c2nnc(CN3CCC(CC[N@H+]4CCCC[C@H]4C)CC3)s2)cc1 ZINC001459667504 1067377067 /nfs/dbraw/zinc/37/70/67/1067377067.db2.gz GANUZGITACNBRK-LJQANCHMSA-N 1 1 455.672 4.829 20 0 JJADMO CCc1ccc(NC(=O)c2nnc(CN3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)s2)cc1 ZINC001459667502 1067377184 /nfs/dbraw/zinc/37/71/84/1067377184.db2.gz GANUZGITACNBRK-IBGZPJMESA-N 1 1 455.672 4.829 20 0 JJADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001459668474 1067377807 /nfs/dbraw/zinc/37/78/07/1067377807.db2.gz HFUBJRNMRLICNO-OFNKIYASSA-N 1 1 451.659 4.793 20 0 JJADMO COc1cccc([C@@H](O)C[N@H+](Cc2ccccc2)C[C@H](O)c2ccccc2Br)c1 ZINC001459673896 1067379942 /nfs/dbraw/zinc/37/99/42/1067379942.db2.gz VQMKLQAJVBPTON-ZEQRLZLVSA-N 1 1 456.380 4.727 20 0 JJADMO Cc1ccc(CN(C(=O)C[N@H+]2CCCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)cc1 ZINC001459687414 1067383930 /nfs/dbraw/zinc/38/39/30/1067383930.db2.gz PUQMHQVPYDKXRA-ZEQRLZLVSA-N 1 1 455.643 4.740 20 0 JJADMO CCc1nc2c(s1)[C@H]([N@H+](C)CC(=O)NCc1cccc(COCc3ccco3)c1)CCC2 ZINC001459693341 1067385709 /nfs/dbraw/zinc/38/57/09/1067385709.db2.gz GWZQTWBSQDPRSC-JOCHJYFZSA-N 1 1 453.608 4.641 20 0 JJADMO CCc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)NCc1cccc(COCc3ccco3)c1)CCC2 ZINC001459693341 1067385722 /nfs/dbraw/zinc/38/57/22/1067385722.db2.gz GWZQTWBSQDPRSC-JOCHJYFZSA-N 1 1 453.608 4.641 20 0 JJADMO C[C@@]1(CNC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001459705280 1067388932 /nfs/dbraw/zinc/38/89/32/1067388932.db2.gz FZCUBGQWSSDBPV-KBMIILLGSA-N 1 1 453.671 4.660 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NC[C@@]3(C)CC[N@@H+](Cc4ccccc4)C3)CCCC[C@H]12 ZINC001459708556 1067390282 /nfs/dbraw/zinc/39/02/82/1067390282.db2.gz QSHPUZUBVVBDNC-ZDJNHPEVSA-N 1 1 455.643 4.585 20 0 JJADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccccc1Oc1cccc(Br)c1 ZINC001459709344 1067390944 /nfs/dbraw/zinc/39/09/44/1067390944.db2.gz IGHOEPXYGZABNU-KRWDZBQOSA-N 1 1 459.384 4.567 20 0 JJADMO CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001459710100 1067391193 /nfs/dbraw/zinc/39/11/93/1067391193.db2.gz XYJNJZCWYGUURN-VMODYCNZSA-N 1 1 457.659 4.879 20 0 JJADMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC001459712334 1067392084 /nfs/dbraw/zinc/39/20/84/1067392084.db2.gz BJVHNDBEFGPQPL-GDBMZVCRSA-N 1 1 458.921 4.744 20 0 JJADMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC001459712334 1067392097 /nfs/dbraw/zinc/39/20/97/1067392097.db2.gz BJVHNDBEFGPQPL-GDBMZVCRSA-N 1 1 458.921 4.744 20 0 JJADMO CC(=O)N(c1nc(C[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)cs1)c1ccc(C)cc1 ZINC001459724139 1067396237 /nfs/dbraw/zinc/39/62/37/1067396237.db2.gz WEBLWEXNTAFJMF-DEOSSOPVSA-N 1 1 458.628 4.919 20 0 JJADMO CC[N@H+](CC(=O)NCc1ccc(N2CCCC2=O)cc1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC001459735813 1067399736 /nfs/dbraw/zinc/39/97/36/1067399736.db2.gz TZMRGQAVYAIEEW-MUUNZHRXSA-N 1 1 459.565 4.680 20 0 JJADMO CC[N@@H+](CC(=O)NCc1ccc(N2CCCC2=O)cc1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC001459735813 1067399744 /nfs/dbraw/zinc/39/97/44/1067399744.db2.gz TZMRGQAVYAIEEW-MUUNZHRXSA-N 1 1 459.565 4.680 20 0 JJADMO COc1ccc(-c2nc(C[N@@H+](C)C3CCN(C(=O)c4ccccc4)CC3)cs2)c(OC)c1 ZINC001459736923 1067399842 /nfs/dbraw/zinc/39/98/42/1067399842.db2.gz OXISKEVPOXZVOH-UHFFFAOYSA-N 1 1 451.592 4.564 20 0 JJADMO O=C(C[N@H+](Cc1cccc(F)c1)C1CCCC1)Nc1ccc(I)cc1 ZINC001459739497 1067400393 /nfs/dbraw/zinc/40/03/93/1067400393.db2.gz IXUPTDYBTYXPRC-UHFFFAOYSA-N 1 1 452.311 4.814 20 0 JJADMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ncc(-c4ccc(Br)cc4)o3)C2)n1 ZINC001459741136 1067401568 /nfs/dbraw/zinc/40/15/68/1067401568.db2.gz ITIZUYLUWFOIDW-KRWDZBQOSA-N 1 1 455.356 4.658 20 0 JJADMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ncc(-c4ccc(Br)cc4)o3)C2)n1 ZINC001459741136 1067401575 /nfs/dbraw/zinc/40/15/75/1067401575.db2.gz ITIZUYLUWFOIDW-KRWDZBQOSA-N 1 1 455.356 4.658 20 0 JJADMO Cc1cccc(C[NH+](CCC(=O)Nc2cccc(Br)c2)Cc2cccc(C)n2)n1 ZINC001459746388 1067404002 /nfs/dbraw/zinc/40/40/02/1067404002.db2.gz KCBAJFSQAPBDGG-UHFFFAOYSA-N 1 1 453.384 4.887 20 0 JJADMO COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001459750004 1067405309 /nfs/dbraw/zinc/40/53/09/1067405309.db2.gz YKGXAASYZZGWFO-UHFFFAOYSA-N 1 1 452.595 4.935 20 0 JJADMO C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC001459749866 1067405342 /nfs/dbraw/zinc/40/53/42/1067405342.db2.gz XKILKQHNKTWPEG-IBGZPJMESA-N 1 1 459.546 4.862 20 0 JJADMO COc1ccc(Cl)cc1CNC(=O)C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc(C)c1 ZINC001459754350 1067407476 /nfs/dbraw/zinc/40/74/76/1067407476.db2.gz FIGNKUYSYCAJAF-DEOSSOPVSA-N 1 1 452.982 4.509 20 0 JJADMO COc1ccc(Cl)cc1CNC(=O)C[N@H+](Cc1ccccc1)C[C@H](O)c1cccc(C)c1 ZINC001459754350 1067407481 /nfs/dbraw/zinc/40/74/81/1067407481.db2.gz FIGNKUYSYCAJAF-DEOSSOPVSA-N 1 1 452.982 4.509 20 0 JJADMO Cc1cccc([C@@H](O)C[N@H+](Cc2ccccc2)C[C@@H](O)COc2cccc(C(F)(F)F)c2)c1 ZINC001459762313 1067412532 /nfs/dbraw/zinc/41/25/32/1067412532.db2.gz IEJJBUTUONQTAJ-NOZRDPDXSA-N 1 1 459.508 4.989 20 0 JJADMO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001459764694 1067413460 /nfs/dbraw/zinc/41/34/60/1067413460.db2.gz MSTYXIMJVYITSV-ZSQFBXSQSA-N 1 1 479.665 4.972 20 0 JJADMO CN(C(=O)CN(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1)c1nc2ccccc2s1 ZINC001459775593 1067417097 /nfs/dbraw/zinc/41/70/97/1067417097.db2.gz TXJXAEGSYXIJNS-UHFFFAOYSA-N 1 1 458.631 4.893 20 0 JJADMO CC(C)NC(=O)c1ccccc1NC(=O)C[N@H+]1CCc2ccccc2[C@H](c2ccccc2)[C@H]1C ZINC001459784849 1067420995 /nfs/dbraw/zinc/42/09/95/1067420995.db2.gz GNZKBFIBXFRYAO-PIKZIKFNSA-N 1 1 455.602 4.842 20 0 JJADMO CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC001459788373 1067422890 /nfs/dbraw/zinc/42/28/90/1067422890.db2.gz BODVOTWSWPFRQT-JPYJTQIMSA-N 1 1 454.018 4.868 20 0 JJADMO O=C1[C@H]([N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CCCN1Cc1ccc(F)cc1F ZINC001459788362 1067422945 /nfs/dbraw/zinc/42/29/45/1067422945.db2.gz PEGKLVWTPVYNDV-RHSMWYFYSA-N 1 1 459.484 4.811 20 0 JJADMO O=C1[C@H]([N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CCCN1Cc1ccc(F)cc1F ZINC001459788362 1067422951 /nfs/dbraw/zinc/42/29/51/1067422951.db2.gz PEGKLVWTPVYNDV-RHSMWYFYSA-N 1 1 459.484 4.811 20 0 JJADMO O[C@@H](COc1ccccc1C(F)(F)F)C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001459790041 1067423304 /nfs/dbraw/zinc/42/33/04/1067423304.db2.gz ZKKJHUSHDZXZJE-CHWSQXEVSA-N 1 1 454.436 4.800 20 0 JJADMO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+](Cc2ccccc2)C[C@]2(O)CCc3ccccc32)c1 ZINC001459795055 1067427185 /nfs/dbraw/zinc/42/71/85/1067427185.db2.gz FFNJFOJRKRWEFQ-YIXXDRMTSA-N 1 1 451.994 4.724 20 0 JJADMO CC(C)CNC(=O)c1ccccc1NC(=O)C[N@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC001459795520 1067427518 /nfs/dbraw/zinc/42/75/18/1067427518.db2.gz GQAFXVMVKROPCQ-UHFFFAOYSA-N 1 1 456.590 4.738 20 0 JJADMO CC(C)CNC(=O)c1ccccc1NC(=O)C[N@@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC001459795520 1067427522 /nfs/dbraw/zinc/42/75/22/1067427522.db2.gz GQAFXVMVKROPCQ-UHFFFAOYSA-N 1 1 456.590 4.738 20 0 JJADMO C[C@@H](O)[C@@H]1CCC[N@H+](CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)C1 ZINC001459799552 1067429200 /nfs/dbraw/zinc/42/92/00/1067429200.db2.gz UAYWYJHQSWTVEU-WIYYLYMNSA-N 1 1 453.583 4.575 20 0 JJADMO C[C@@H](O)[C@@H]1CCC[N@@H+](CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)C1 ZINC001459799552 1067429204 /nfs/dbraw/zinc/42/92/04/1067429204.db2.gz UAYWYJHQSWTVEU-WIYYLYMNSA-N 1 1 453.583 4.575 20 0 JJADMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC001459810988 1067433361 /nfs/dbraw/zinc/43/33/61/1067433361.db2.gz UFHFXAJYACARCO-NFBKMPQASA-N 1 1 454.014 4.759 20 0 JJADMO Cc1ccc(N(C)[C@H]2CCC[N@@H+](CC(=O)NCc3ccccc3COc3ccccc3)C2)cc1 ZINC001459816054 1067435946 /nfs/dbraw/zinc/43/59/46/1067435946.db2.gz FCVSUGFFCNAMFL-MHZLTWQESA-N 1 1 457.618 4.791 20 0 JJADMO CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CC[N@@H+]1[C@@H](C)C(=O)NCc1ccccc1F ZINC001459817428 1067436530 /nfs/dbraw/zinc/43/65/30/1067436530.db2.gz CSMQMUWNBXRBHM-UWJYYQICSA-N 1 1 451.508 4.840 20 0 JJADMO CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CC[N@H+]1[C@@H](C)C(=O)NCc1ccccc1F ZINC001459817428 1067436535 /nfs/dbraw/zinc/43/65/35/1067436535.db2.gz CSMQMUWNBXRBHM-UWJYYQICSA-N 1 1 451.508 4.840 20 0 JJADMO CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CC[N@H+]1C[C@@H](O)c1cc(OC)ccc1OC ZINC001459819661 1067437582 /nfs/dbraw/zinc/43/75/82/1067437582.db2.gz IMZBUSQOPPUMEZ-SIKLNZKXSA-N 1 1 452.517 4.747 20 0 JJADMO CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CC[N@H+]1C[C@H](O)c1cc(OC)ccc1OC ZINC001459819657 1067437693 /nfs/dbraw/zinc/43/76/93/1067437693.db2.gz IMZBUSQOPPUMEZ-KNQAVFIVSA-N 1 1 452.517 4.747 20 0 JJADMO Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001459827104 1067441163 /nfs/dbraw/zinc/44/11/63/1067441163.db2.gz PUHNHXOAIUJCBE-KRWDZBQOSA-N 1 1 451.995 4.952 20 0 JJADMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 ZINC001459827753 1067441715 /nfs/dbraw/zinc/44/17/15/1067441715.db2.gz WEMHUHUWRLTFDL-QHCPKHFHSA-N 1 1 459.700 4.858 20 0 JJADMO COc1ccc(NC(=O)C[N@@H+](Cc2ccc(OC)c(OC)c2)[C@H]2CCCC[C@@H]2C)c(OC)c1 ZINC001459831385 1067444303 /nfs/dbraw/zinc/44/43/03/1067444303.db2.gz CRRDNYPFJXCVGQ-AVRDEDQJSA-N 1 1 456.583 4.740 20 0 JJADMO Cc1ccc(CN2CCCN(C(=O)C[NH2+][C@H](CCc3ccccc3)c3ccccc3)CC2)cc1 ZINC001459839816 1067447518 /nfs/dbraw/zinc/44/75/18/1067447518.db2.gz CVUNXWLWBWCSLJ-GDLZYMKVSA-N 1 1 455.646 4.993 20 0 JJADMO CCOC(=O)C1C(C[NH2+][C@@H](c2ccccc2C)C(C)C)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001459850084 1067454983 /nfs/dbraw/zinc/45/49/83/1067454983.db2.gz NASRGFJXJXYMMQ-DHIUTWEWSA-N 1 1 455.986 4.806 20 0 JJADMO COc1ccc(C[NH2+][C@@H](CNS(=O)(=O)c2ccc(C)cc2C)c2ccccc2)cc1Cl ZINC001459850405 1067455608 /nfs/dbraw/zinc/45/56/08/1067455608.db2.gz JTGCULXUSPFDKS-QFIPXVFZSA-N 1 1 459.011 4.775 20 0 JJADMO COc1cc(F)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1OC ZINC001459860497 1067461335 /nfs/dbraw/zinc/46/13/35/1067461335.db2.gz XYDJFORYSDEKIY-SJORKVTESA-N 1 1 450.510 4.752 20 0 JJADMO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c(Br)c1 ZINC001459862902 1067462439 /nfs/dbraw/zinc/46/24/39/1067462439.db2.gz NRLVLNZEHWRZCW-KPZWWZAWSA-N 1 1 457.290 4.933 20 0 JJADMO COC(=O)c1ccc2c(c1)nc(C[N@@H+](C)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)[nH]c2=O ZINC001459869826 1067466349 /nfs/dbraw/zinc/46/63/49/1067466349.db2.gz MQSVYGILOLWFOH-FXAWDEMLSA-N 1 1 459.468 4.909 20 0 JJADMO C[N@@H+](Cc1ccc(S(=O)(=O)NC2CC2)cc1)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001459870452 1067466790 /nfs/dbraw/zinc/46/67/90/1067466790.db2.gz NMFVYFZNKJULBX-YADHBBJMSA-N 1 1 452.542 4.914 20 0 JJADMO COc1cccc(OC)c1OC[C@H](O)C[N@@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001459871317 1067467830 /nfs/dbraw/zinc/46/78/30/1067467830.db2.gz REVYSOUHTAZJPY-VAMGGRTRSA-N 1 1 453.501 4.730 20 0 JJADMO CCC1(CC)CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001546112419 1067469886 /nfs/dbraw/zinc/46/98/86/1067469886.db2.gz QOAVCNAETUQXRI-QHCPKHFHSA-N 1 1 463.674 4.677 20 0 JJADMO CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC001459891241 1067475246 /nfs/dbraw/zinc/47/52/46/1067475246.db2.gz MOMRCJCLGFGAMX-SQHAQQRYSA-N 1 1 456.590 4.903 20 0 JJADMO CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC001459891241 1067475251 /nfs/dbraw/zinc/47/52/51/1067475251.db2.gz MOMRCJCLGFGAMX-SQHAQQRYSA-N 1 1 456.590 4.903 20 0 JJADMO COc1cc2nc(C[NH2+][C@H](C)c3sc(-c4ccc(F)cc4)nc3C)[nH]c(=O)c2cc1OC ZINC001459901227 1067480444 /nfs/dbraw/zinc/48/04/44/1067480444.db2.gz FTAYDFFJSGVQTP-GFCCVEGCSA-N 1 1 454.527 4.774 20 0 JJADMO COc1cc2nc(C[NH2+][C@H](C)c3sc(-c4ccc(C)cc4)nc3C)[nH]c(=O)c2cc1OC ZINC001459905842 1067483032 /nfs/dbraw/zinc/48/30/32/1067483032.db2.gz RQUGVZAAAQAFOY-CQSZACIVSA-N 1 1 450.564 4.944 20 0 JJADMO Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001459907942 1067484125 /nfs/dbraw/zinc/48/41/25/1067484125.db2.gz FJXVJYYPNWXTPP-NSHDSACASA-N 1 1 455.399 4.728 20 0 JJADMO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001459910001 1067485071 /nfs/dbraw/zinc/48/50/71/1067485071.db2.gz UCPPYOMDCJUSTD-ASHZAFPQSA-N 1 1 451.611 4.738 20 0 JJADMO Cc1ccccc1C([NH2+]CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)c1ccccc1C ZINC001459910054 1067485153 /nfs/dbraw/zinc/48/51/53/1067485153.db2.gz UHGPLIGDIJZUIS-UHFFFAOYSA-N 1 1 458.530 4.617 20 0 JJADMO CC[C@H]1CN([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC[N@H+]1Cc1ccccc1 ZINC001459918253 1067490311 /nfs/dbraw/zinc/49/03/11/1067490311.db2.gz XJLAEZCFRCIOFO-ZEQRLZLVSA-N 1 1 459.556 4.793 20 0 JJADMO CC[C@H]1C[N@@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CCN1Cc1ccccc1 ZINC001459918253 1067490322 /nfs/dbraw/zinc/49/03/22/1067490322.db2.gz XJLAEZCFRCIOFO-ZEQRLZLVSA-N 1 1 459.556 4.793 20 0 JJADMO CC[C@H]1C[N@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CCN1Cc1ccccc1 ZINC001459918253 1067490329 /nfs/dbraw/zinc/49/03/29/1067490329.db2.gz XJLAEZCFRCIOFO-ZEQRLZLVSA-N 1 1 459.556 4.793 20 0 JJADMO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)c1nc(C)cs1 ZINC001459930399 1067495977 /nfs/dbraw/zinc/49/59/77/1067495977.db2.gz YRTBKBUZHJMPKW-LPHOPBHVSA-N 1 1 452.580 4.780 20 0 JJADMO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)c1nc(C)cs1 ZINC001459930403 1067496069 /nfs/dbraw/zinc/49/60/69/1067496069.db2.gz YRTBKBUZHJMPKW-QFBILLFUSA-N 1 1 452.580 4.780 20 0 JJADMO COc1ccccc1-c1nc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccc(Cl)cc3C)CC2)no1 ZINC001459931331 1067496438 /nfs/dbraw/zinc/49/64/38/1067496438.db2.gz MQKWBSSWSGQYGU-INIZCTEOSA-N 1 1 454.958 4.914 20 0 JJADMO COC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC001459932534 1067496923 /nfs/dbraw/zinc/49/69/23/1067496923.db2.gz KPIAFAWXMPCOQA-IBGZPJMESA-N 1 1 457.983 4.712 20 0 JJADMO COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC001459931959 1067496968 /nfs/dbraw/zinc/49/69/68/1067496968.db2.gz IYHKKSPHCPHEJZ-SCLBCKFNSA-N 1 1 457.518 4.563 20 0 JJADMO C[N@H+](Cc1ccccc1)C[C@H](CN[C@H](CO)c1cccc(Br)c1)c1ccccc1 ZINC001459935385 1067497912 /nfs/dbraw/zinc/49/79/12/1067497912.db2.gz UYKJRROYSQYHQF-UKILVPOCSA-N 1 1 453.424 4.988 20 0 JJADMO CC(C)OC(=O)C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccccc1 ZINC001459937710 1067499568 /nfs/dbraw/zinc/49/95/68/1067499568.db2.gz RSJQKGYAOQCCPR-NRFANRHFSA-N 1 1 452.551 4.729 20 0 JJADMO COC(=O)c1scc(C)c1NC(=O)[C@@H](C)[N@H+](C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC001459948609 1067503371 /nfs/dbraw/zinc/50/33/71/1067503371.db2.gz BSYVGLYJLHCGNW-QWHCGFSZSA-N 1 1 459.395 4.876 20 0 JJADMO COC(=O)c1scc(C)c1NC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC001459948609 1067503377 /nfs/dbraw/zinc/50/33/77/1067503377.db2.gz BSYVGLYJLHCGNW-QWHCGFSZSA-N 1 1 459.395 4.876 20 0 JJADMO O=C(C[NH+]1CCC(Oc2ccc(F)nc2)CC1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC001459951609 1067504734 /nfs/dbraw/zinc/50/47/34/1067504734.db2.gz GPVZAAGTGUUYCC-VWLOTQADSA-N 1 1 453.945 4.623 20 0 JJADMO CC(C)(C)OC(=O)NC1(C)CC[NH+](Cc2coc(-c3ccc(Br)cc3)n2)CC1 ZINC001459958646 1067507188 /nfs/dbraw/zinc/50/71/88/1067507188.db2.gz XNUHBAGROUKQAZ-UHFFFAOYSA-N 1 1 450.377 4.983 20 0 JJADMO CO[C@H](C)c1noc(C[N@@H+]2CCCC[C@H]2[C@@H](CNC(=O)OC(C)(C)C)Cc2ccccc2)n1 ZINC001459959517 1067507566 /nfs/dbraw/zinc/50/75/66/1067507566.db2.gz COQQSPNQXYJHTF-NRSPTQNISA-N 1 1 458.603 4.515 20 0 JJADMO CO[C@H](C)c1noc(C[N@H+]2CCCC[C@H]2[C@@H](CNC(=O)OC(C)(C)C)Cc2ccccc2)n1 ZINC001459959517 1067507576 /nfs/dbraw/zinc/50/75/76/1067507576.db2.gz COQQSPNQXYJHTF-NRSPTQNISA-N 1 1 458.603 4.515 20 0 JJADMO Cc1cccc(C)c1OCCC[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC001459968396 1067510381 /nfs/dbraw/zinc/51/03/81/1067510381.db2.gz WKNIYLPFRIITKP-UHFFFAOYSA-N 1 1 451.394 4.602 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1cc(Cl)cc(C(=O)N(C)C)c1OC ZINC001459989477 1067517033 /nfs/dbraw/zinc/51/70/33/1067517033.db2.gz UVDMOOFOQKKMDT-WIYYLYMNSA-N 1 1 458.002 4.537 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC001460009008 1067525705 /nfs/dbraw/zinc/52/57/05/1067525705.db2.gz PCBDVTJTXWEAMO-WIOPSUGQSA-N 1 1 457.640 4.581 20 0 JJADMO Cn1nc(Cl)c(C(=O)NC[C@H](c2ccc(Cl)cc2)[N@H+](C)CCC(F)(F)F)c1Cl ZINC001460013248 1067527325 /nfs/dbraw/zinc/52/73/25/1067527325.db2.gz HAMISVFKRAYFOM-GFCCVEGCSA-N 1 1 457.711 4.736 20 0 JJADMO Cn1nc(Cl)c(C(=O)NC[C@H](c2ccc(Cl)cc2)[N@@H+](C)CCC(F)(F)F)c1Cl ZINC001460013248 1067527327 /nfs/dbraw/zinc/52/73/27/1067527327.db2.gz HAMISVFKRAYFOM-GFCCVEGCSA-N 1 1 457.711 4.736 20 0 JJADMO CC(C)c1ccc(CN(C(=O)C[N@H+]2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)C2CC2)cc1 ZINC001460014509 1067527611 /nfs/dbraw/zinc/52/76/11/1067527611.db2.gz FZSVYSWASCKDED-OAQYLSRUSA-N 1 1 457.659 4.928 20 0 JJADMO O=C1[C@@H]([NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CCN1c1ccc(Cl)c(F)c1 ZINC001460014037 1067527744 /nfs/dbraw/zinc/52/77/44/1067527744.db2.gz ALKXSXDDMLSLNJ-IRXDYDNUSA-N 1 1 451.247 4.580 20 0 JJADMO C[N@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)CC1(CS(C)(=O)=O)CC1 ZINC001460015209 1067528459 /nfs/dbraw/zinc/52/84/59/1067528459.db2.gz IQVDFTVMBDHCRF-NRFANRHFSA-N 1 1 455.542 4.972 20 0 JJADMO C[N@@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)CC1(CS(C)(=O)=O)CC1 ZINC001460015209 1067528468 /nfs/dbraw/zinc/52/84/68/1067528468.db2.gz IQVDFTVMBDHCRF-NRFANRHFSA-N 1 1 455.542 4.972 20 0 JJADMO O=C(C[NH+]1CCC(F)(c2ccccc2C(F)(F)F)CC1)NCCc1cccc2cccnc21 ZINC001460018185 1067529626 /nfs/dbraw/zinc/52/96/26/1067529626.db2.gz JECIFVQVKCOIMU-UHFFFAOYSA-N 1 1 459.487 4.873 20 0 JJADMO CC(C)(C)OC(=O)NCC[C@H]1CCC[N@@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC001460020305 1067530960 /nfs/dbraw/zinc/53/09/60/1067530960.db2.gz VSKMVHJAGWWGKS-OAQYLSRUSA-N 1 1 459.631 4.662 20 0 JJADMO COc1cccc(C2([NH2+]CC(=O)N(Cc3ccc(C(C)C)cc3)C3CC3)CCOCC2)c1F ZINC001460031487 1067534466 /nfs/dbraw/zinc/53/44/66/1067534466.db2.gz UYWQGUCWSHIGHJ-UHFFFAOYSA-N 1 1 454.586 4.744 20 0 JJADMO C[C@H]([NH2+]CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)c1ccc(Br)cn1 ZINC001460042378 1067537162 /nfs/dbraw/zinc/53/71/62/1067537162.db2.gz ZBTRHPKKXCHAGF-HTAPYJJXSA-N 1 1 450.380 4.669 20 0 JJADMO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H](c3ccncc3)C2)cc1 ZINC001460058724 1067541376 /nfs/dbraw/zinc/54/13/76/1067541376.db2.gz BRBLFXOMVYVLIU-JOCHJYFZSA-N 1 1 458.562 4.551 20 0 JJADMO C[C@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)C[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001460073789 1067546801 /nfs/dbraw/zinc/54/68/01/1067546801.db2.gz SYALRJSEMJCGLF-HFJQGTKSSA-N 1 1 456.549 4.984 20 0 JJADMO O=C(CCCc1ccccc1)N[C@H]1CCC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC001460083769 1067549281 /nfs/dbraw/zinc/54/92/81/1067549281.db2.gz VZELAMQVENHJTA-QFIPXVFZSA-N 1 1 452.986 4.536 20 0 JJADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCC([C@@H](F)c3ccccc3F)CC2)CC1 ZINC001460087390 1067550661 /nfs/dbraw/zinc/55/06/61/1067550661.db2.gz ZSITZGICJSPDPF-HHHXNRCGSA-N 1 1 455.593 4.591 20 0 JJADMO COc1ccc(CN2CCCN(C(=O)C[N@@H+](CC(C)C)[C@H](C)c3ccccc3C)CC2)cc1 ZINC001460087703 1067550891 /nfs/dbraw/zinc/55/08/91/1067550891.db2.gz BTSKNOPPBJLJJQ-XMMPIXPASA-N 1 1 451.655 4.757 20 0 JJADMO COc1ccc(N=c2scc(C[N@H+]3CCCCC[C@H]3CCO)n2Cc2ccccc2)cc1 ZINC001460093033 1067552547 /nfs/dbraw/zinc/55/25/47/1067552547.db2.gz HMZDJLBQXPCWJO-QHCPKHFHSA-N 1 1 451.636 4.966 20 0 JJADMO COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2cc(Br)ccc2N2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC001460094667 1067552985 /nfs/dbraw/zinc/55/29/85/1067552985.db2.gz LXYUBSHLFYOUQX-MDKPJZGXSA-N 1 1 472.427 4.730 20 0 JJADMO CC(C)OC(=O)Cc1nc(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cs1 ZINC001460103227 1067555556 /nfs/dbraw/zinc/55/55/56/1067555556.db2.gz WOMONBQXSZTUGH-NRFANRHFSA-N 1 1 456.530 4.914 20 0 JJADMO CC(C)OC(=O)Cc1nc(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cs1 ZINC001460103228 1067555622 /nfs/dbraw/zinc/55/56/22/1067555622.db2.gz WOMONBQXSZTUGH-OAQYLSRUSA-N 1 1 456.530 4.914 20 0 JJADMO CCOc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)cc1 ZINC001460104972 1067556127 /nfs/dbraw/zinc/55/61/27/1067556127.db2.gz JPKZWAJZGFERIM-PGRDOPGGSA-N 1 1 459.631 4.770 20 0 JJADMO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460110534 1067556922 /nfs/dbraw/zinc/55/69/22/1067556922.db2.gz PLWRPNAPQJRLTD-FHWLQOOXSA-N 1 1 450.023 4.944 20 0 JJADMO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460110545 1067557078 /nfs/dbraw/zinc/55/70/78/1067557078.db2.gz PLWRPNAPQJRLTD-OTWHNJEPSA-N 1 1 450.023 4.944 20 0 JJADMO Ic1cccc(C[C@@H]2CC[N@@H+](Cc3nccn3Cc3ccccc3)C2)c1 ZINC001460135751 1067562035 /nfs/dbraw/zinc/56/20/35/1067562035.db2.gz NVLNJHLKIQWQMU-FQEVSTJZSA-N 1 1 457.359 4.601 20 0 JJADMO COc1ccc(C[C@@H]2CCC[N@H+]([C@H]3CN(C(=O)OC(C)(C)C)c4ccccc4[C@@H]3O)C2)cc1 ZINC001460136807 1067562471 /nfs/dbraw/zinc/56/24/71/1067562471.db2.gz SRAHMYOFOHKAJM-OPXMRZJTSA-N 1 1 452.595 4.807 20 0 JJADMO O=C1[C@@H]([N@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)CCN1c1ccc(Cl)c(F)c1 ZINC001460137619 1067562757 /nfs/dbraw/zinc/56/27/57/1067562757.db2.gz HISSHWMGDKCUMY-YWZLYKJASA-N 1 1 451.767 4.912 20 0 JJADMO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC001460139425 1067563180 /nfs/dbraw/zinc/56/31/80/1067563180.db2.gz HXNDYSQUTQKAJR-OAHLLOKOSA-N 1 1 452.546 4.969 20 0 JJADMO COc1ccc([C@H](O)C2CC[NH+](CC(=O)Nc3cccc(-c4csc(C)n4)c3)CC2)cc1 ZINC001460152031 1067565954 /nfs/dbraw/zinc/56/59/54/1067565954.db2.gz SLYWZJJLLQMJHM-VWLOTQADSA-N 1 1 451.592 4.511 20 0 JJADMO COc1ccc([C@H](O)C2CC[NH+](CC(=O)N[C@@H](c3ccccc3)C3CCCCC3)CC2)cc1 ZINC001460152048 1067566107 /nfs/dbraw/zinc/56/61/07/1067566107.db2.gz STWLZRQUVMWLMA-NSOVKSMOSA-N 1 1 450.623 4.878 20 0 JJADMO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460157906 1067566766 /nfs/dbraw/zinc/56/67/66/1067566766.db2.gz NLGVZFCKYRAHPP-RTBURBONSA-N 1 1 450.023 4.946 20 0 JJADMO CCOc1ccc(NC(=O)CC[N@H+]2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001460160993 1067567757 /nfs/dbraw/zinc/56/77/57/1067567757.db2.gz ZDLJMYSTVVODTO-SFTDATJTSA-N 1 1 459.631 4.773 20 0 JJADMO Cc1cccc(C)c1-n1nnnc1CN1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC001460167441 1067568295 /nfs/dbraw/zinc/56/82/95/1067568295.db2.gz GIQAOEJZDQGYSL-HSZRJFAPSA-N 1 1 453.034 4.665 20 0 JJADMO Cc1cccc(C)c1-n1nnnc1CN1CC[N@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC001460167441 1067568303 /nfs/dbraw/zinc/56/83/03/1067568303.db2.gz GIQAOEJZDQGYSL-HSZRJFAPSA-N 1 1 453.034 4.665 20 0 JJADMO CCOC(=O)Nc1ccc2c(C[N@@H+](C)CCc3cccc(Br)c3)cc(=O)oc2c1 ZINC001460170300 1067569254 /nfs/dbraw/zinc/56/92/54/1067569254.db2.gz JINQQSQSRLOVSZ-UHFFFAOYSA-N 1 1 459.340 4.798 20 0 JJADMO Cc1ccc(C2=NN(C(=O)C[NH2+][C@@H](CCO)c3ccc(Cl)cc3)[C@@H](c3ccco3)C2)cc1 ZINC001460172546 1067570051 /nfs/dbraw/zinc/57/00/51/1067570051.db2.gz ONVFYKJRAQCJGU-JTHBVZDNSA-N 1 1 451.954 4.632 20 0 JJADMO COC(=O)c1ccc(Br)c(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC001460173072 1067570121 /nfs/dbraw/zinc/57/01/21/1067570121.db2.gz TWFSYJRCWINDRG-UHFFFAOYSA-N 1 1 457.412 4.724 20 0 JJADMO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1F)C(=O)N(C)Cc1nc2ccccc2s1 ZINC001460175292 1067571048 /nfs/dbraw/zinc/57/10/48/1067571048.db2.gz MKSACPZKJPXDKC-STQMWFEESA-N 1 1 450.377 4.896 20 0 JJADMO CCc1cc2oc(=O)cc(C[NH2+][C@H](CO)c3ccc(Br)c(F)c3)c2cc1Cl ZINC001460177171 1067571553 /nfs/dbraw/zinc/57/15/53/1067571553.db2.gz ZYASYJQLLNVQAS-GOSISDBHSA-N 1 1 454.723 4.734 20 0 JJADMO O=C(C[N@H+]1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1)Nc1ccc2ccccc2c1 ZINC001460179394 1067572250 /nfs/dbraw/zinc/57/22/50/1067572250.db2.gz NENGCMQIWWSWJR-HYBUGGRVSA-N 1 1 453.380 4.986 20 0 JJADMO O=C(C[N@@H+]1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1)Nc1ccc2ccccc2c1 ZINC001460179394 1067572257 /nfs/dbraw/zinc/57/22/57/1067572257.db2.gz NENGCMQIWWSWJR-HYBUGGRVSA-N 1 1 453.380 4.986 20 0 JJADMO O[C@@H](c1ccc(Br)cc1)[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC001460182532 1067573327 /nfs/dbraw/zinc/57/33/27/1067573327.db2.gz AKEUWEQQYOEQLJ-DBVUQKKJSA-N 1 1 458.318 4.947 20 0 JJADMO C[N@@H+](C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001460192926 1067576080 /nfs/dbraw/zinc/57/60/80/1067576080.db2.gz AXKVHWRMFBXXDH-VABKMULXSA-N 1 1 458.643 4.971 20 0 JJADMO C[N@H+](CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001460196276 1067576611 /nfs/dbraw/zinc/57/66/11/1067576611.db2.gz KQETZDZLCHLYKV-YADHBBJMSA-N 1 1 453.583 4.989 20 0 JJADMO C[N@@H+](CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001460196276 1067576619 /nfs/dbraw/zinc/57/66/19/1067576619.db2.gz KQETZDZLCHLYKV-YADHBBJMSA-N 1 1 453.583 4.989 20 0 JJADMO O=C(NC1CCCCC1)OC[C@@H]1CCCC[N@@H+]1CCc1cc(Cl)c2c(c1)OCCCO2 ZINC001460197549 1067576769 /nfs/dbraw/zinc/57/67/69/1067576769.db2.gz NPRMNTQICQNPIQ-FQEVSTJZSA-N 1 1 451.007 4.957 20 0 JJADMO O=C(CC[N@H+]1CCC[C@H]1c1ccc(Br)cn1)Nc1ccccc1Br ZINC001460200626 1067578012 /nfs/dbraw/zinc/57/80/12/1067578012.db2.gz AHHWDQJZPSEAPK-KRWDZBQOSA-N 1 1 453.178 4.772 20 0 JJADMO O=C(CC[N@@H+]1CCC[C@H]1c1ccc(Br)cn1)Nc1ccccc1Br ZINC001460200626 1067578015 /nfs/dbraw/zinc/57/80/15/1067578015.db2.gz AHHWDQJZPSEAPK-KRWDZBQOSA-N 1 1 453.178 4.772 20 0 JJADMO CC(C)(C)OC(=O)N1CC[N@@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@H](c2ccccc2)C1 ZINC001460207308 1067579370 /nfs/dbraw/zinc/57/93/70/1067579370.db2.gz DRTXLNFPAFVLNI-IRLDBZIGSA-N 1 1 459.631 4.928 20 0 JJADMO CC(C)(C)OC(=O)N1CC[N@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@H](c2ccccc2)C1 ZINC001460207308 1067579375 /nfs/dbraw/zinc/57/93/75/1067579375.db2.gz DRTXLNFPAFVLNI-IRLDBZIGSA-N 1 1 459.631 4.928 20 0 JJADMO CCC1(CC)CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+](C)C(C)C)CCS1 ZINC001546114703 1067581901 /nfs/dbraw/zinc/58/19/01/1067581901.db2.gz CILLDUAOJDADFV-UHFFFAOYSA-N 1 1 467.630 4.999 20 0 JJADMO O=C(OCc1ccccc1)N1CCC(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)CC1 ZINC001460220822 1067582821 /nfs/dbraw/zinc/58/28/21/1067582821.db2.gz LXNOVPYQFNQHCK-OAQYLSRUSA-N 1 1 454.533 4.716 20 0 JJADMO COC(=O)[C@H](N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccc(Cl)cc1 ZINC001460221455 1067582991 /nfs/dbraw/zinc/58/29/91/1067582991.db2.gz KICSRKLTVSFZBZ-ISJGIBHGSA-N 1 1 452.957 4.951 20 0 JJADMO C[C@@H]1[C@H](CO)CCC[N@@H+]1CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC001460225893 1067583947 /nfs/dbraw/zinc/58/39/47/1067583947.db2.gz IGWNYXKVYXWOKV-NQIIRXRSSA-N 1 1 453.583 4.575 20 0 JJADMO C[C@@H]1[C@H](CO)CCC[N@H+]1CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC001460225893 1067583955 /nfs/dbraw/zinc/58/39/55/1067583955.db2.gz IGWNYXKVYXWOKV-NQIIRXRSSA-N 1 1 453.583 4.575 20 0 JJADMO C[N@@H+](C[C@@H](O)c1cccc(Br)c1)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC001460237364 1067587344 /nfs/dbraw/zinc/58/73/44/1067587344.db2.gz ALXXHTYYLRGTNJ-MBOZVWFJSA-N 1 1 455.437 4.745 20 0 JJADMO COc1ccc([C@H](O)C[N@@H+](CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)[C@H](C)Cc2ccccc2)cc1 ZINC001460238561 1067587688 /nfs/dbraw/zinc/58/76/88/1067587688.db2.gz IVQJASRLGWDRJY-BVZBTYANSA-N 1 1 452.639 4.699 20 0 JJADMO C[C@@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001460240535 1067589030 /nfs/dbraw/zinc/58/90/30/1067589030.db2.gz LTMXLYJYNHGKRD-SJORKVTESA-N 1 1 456.562 4.622 20 0 JJADMO C[N@H+](C[C@H](O)c1ccccc1Br)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001460245153 1067589821 /nfs/dbraw/zinc/58/98/21/1067589821.db2.gz IJNZBHGZHMVQML-ROUUACIJSA-N 1 1 458.183 4.527 20 0 JJADMO C[N@@H+](C[C@H](O)c1ccccc1Br)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001460245153 1067589827 /nfs/dbraw/zinc/58/98/27/1067589827.db2.gz IJNZBHGZHMVQML-ROUUACIJSA-N 1 1 458.183 4.527 20 0 JJADMO C[N@H+](C[C@H](O)c1ccccc1Br)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001460245136 1067589959 /nfs/dbraw/zinc/58/99/59/1067589959.db2.gz IJNZBHGZHMVQML-MSOLQXFVSA-N 1 1 458.183 4.527 20 0 JJADMO C[N@@H+](C[C@H](O)c1ccccc1Br)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001460245136 1067589967 /nfs/dbraw/zinc/58/99/67/1067589967.db2.gz IJNZBHGZHMVQML-MSOLQXFVSA-N 1 1 458.183 4.527 20 0 JJADMO CN(CCC[N@@H+](C)Cc1ccc(I)c(Cl)c1)C(=O)OC(C)(C)C ZINC001460252373 1067591902 /nfs/dbraw/zinc/59/19/02/1067591902.db2.gz ODTUENLUUUYCTA-UHFFFAOYSA-N 1 1 452.764 4.633 20 0 JJADMO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+]([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC001460260980 1067592829 /nfs/dbraw/zinc/59/28/29/1067592829.db2.gz XLIBBJODNADTBE-QFBILLFUSA-N 1 1 456.505 4.524 20 0 JJADMO CN(C)c1[nH+]ccc2cc(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4NC(=O)OC(C)(C)C)ccc21 ZINC001460270536 1067594617 /nfs/dbraw/zinc/59/46/17/1067594617.db2.gz AEOCQTCETKLSNC-JREAUHRESA-N 1 1 452.599 4.959 20 0 JJADMO CC(C)c1ccc(OCCNC(=O)C[N@@H+]2CCC[C@H]2Cc2ccccc2Br)cc1 ZINC001460273358 1067595493 /nfs/dbraw/zinc/59/54/93/1067595493.db2.gz XFQMKEOPWZIKOA-NRFANRHFSA-N 1 1 459.428 4.775 20 0 JJADMO CC(C)c1ccc(OCCNC(=O)C[N@H+]2CCC[C@H]2Cc2ccccc2Br)cc1 ZINC001460273358 1067595498 /nfs/dbraw/zinc/59/54/98/1067595498.db2.gz XFQMKEOPWZIKOA-NRFANRHFSA-N 1 1 459.428 4.775 20 0 JJADMO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)C[C@H]1c1ccc(F)cc1F ZINC001460279893 1067596992 /nfs/dbraw/zinc/59/69/92/1067596992.db2.gz VGNZVJMPVVLYND-GCRLEYHISA-N 1 1 466.528 4.572 20 0 JJADMO COC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)C[C@H]1c1ccc(F)cc1F ZINC001460279893 1067597000 /nfs/dbraw/zinc/59/70/00/1067597000.db2.gz VGNZVJMPVVLYND-GCRLEYHISA-N 1 1 466.528 4.572 20 0 JJADMO CC(C)(C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1)c1cccs1 ZINC001460302939 1067602763 /nfs/dbraw/zinc/60/27/63/1067602763.db2.gz UNOPBZNRVYAJAZ-YADARESESA-N 1 1 459.631 4.509 20 0 JJADMO CC(C)(C)[C@H](NC(=O)C[N@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1)c1cccs1 ZINC001460302939 1067602766 /nfs/dbraw/zinc/60/27/66/1067602766.db2.gz UNOPBZNRVYAJAZ-YADARESESA-N 1 1 459.631 4.509 20 0 JJADMO CC(C)(C)OC(=O)N1CCC([N@H+](Cc2ccccn2)C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC001460305123 1067603258 /nfs/dbraw/zinc/60/32/58/1067603258.db2.gz NJGXNUUYBBOVFO-VQTJNVASSA-N 1 1 457.537 4.783 20 0 JJADMO CC(C)(C)OC(=O)N1CCC([N@H+](Cc2ccccn2)C[C@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC001460305125 1067603347 /nfs/dbraw/zinc/60/33/47/1067603347.db2.gz NJGXNUUYBBOVFO-WOJBJXKFSA-N 1 1 457.537 4.783 20 0 JJADMO CC(C)c1ccc(CN(C(=O)C[N@@H+](CCC(=O)OC(C)(C)C)C2CCOCC2)C2CC2)cc1 ZINC001460306018 1067603794 /nfs/dbraw/zinc/60/37/94/1067603794.db2.gz SGMFLOXFEYFTFJ-UHFFFAOYSA-N 1 1 458.643 4.514 20 0 JJADMO C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](Cc2cccc(C(=O)NCc3ccco3)c2)[C@H]1C ZINC001460308077 1067604331 /nfs/dbraw/zinc/60/43/31/1067604331.db2.gz MQCQTKHJUDWUEI-DXIQSLLYSA-N 1 1 455.599 4.723 20 0 JJADMO COC(=O)[C@@H]1C[N@H+]([C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)C[C@H]1c1ccc(O)cc1 ZINC001460308763 1067604637 /nfs/dbraw/zinc/60/46/37/1067604637.db2.gz RJGGIFLMZOCKFV-OCBCSQNSSA-N 1 1 462.333 4.699 20 0 JJADMO Cc1ccc(Br)nc1C(=O)N1CC[N@H+](CCCc2ccccc2)C[C@H]1CC(C)C ZINC001460325332 1067608552 /nfs/dbraw/zinc/60/85/52/1067608552.db2.gz MUORHXYJAAQOIN-OAQYLSRUSA-N 1 1 458.444 4.958 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@H]1CCN(c2ccccc2F)C1 ZINC001460327860 1067609464 /nfs/dbraw/zinc/60/94/64/1067609464.db2.gz YVWXQIXKLUKATP-LOSJGSFVSA-N 1 1 451.630 4.844 20 0 JJADMO CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)C[N@@H+]1CCc2ccccc2[C@@H](C)C1 ZINC001460339128 1067611424 /nfs/dbraw/zinc/61/14/24/1067611424.db2.gz GOKUXWNXMMPZLA-INIZCTEOSA-N 1 1 451.592 4.690 20 0 JJADMO CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)C[N@H+]1CCc2ccccc2[C@@H](C)C1 ZINC001460339128 1067611428 /nfs/dbraw/zinc/61/14/28/1067611428.db2.gz GOKUXWNXMMPZLA-INIZCTEOSA-N 1 1 451.592 4.690 20 0 JJADMO CN(C(=O)C[N@@H+]1CCc2ccccc2C(C)(C)C1)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC001460406034 1067628858 /nfs/dbraw/zinc/62/88/58/1067628858.db2.gz MYMPSFZOSBFGTR-MHZLTWQESA-N 1 1 453.026 4.973 20 0 JJADMO CN(C(=O)C[N@H+]1CCc2ccccc2C(C)(C)C1)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC001460406034 1067628861 /nfs/dbraw/zinc/62/88/61/1067628861.db2.gz MYMPSFZOSBFGTR-MHZLTWQESA-N 1 1 453.026 4.973 20 0 JJADMO COc1ccccc1-c1nnc(C[N@H+]2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)o1 ZINC001460411865 1067630104 /nfs/dbraw/zinc/63/01/04/1067630104.db2.gz SGNWZEVXGSPDFS-LJQANCHMSA-N 1 1 456.587 4.604 20 0 JJADMO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001460413015 1067630172 /nfs/dbraw/zinc/63/01/72/1067630172.db2.gz UDOVNMUFFQQLEB-AEFFLSMTSA-N 1 1 451.558 4.651 20 0 JJADMO O=S(=O)(Nc1ccccc1)[C@@H]1CCC[N@H+](CCOc2ccc(Oc3ccccc3)cc2)C1 ZINC001460419635 1067631826 /nfs/dbraw/zinc/63/18/26/1067631826.db2.gz XGJLCTHFSWKXBW-RUZDIDTESA-N 1 1 452.576 4.764 20 0 JJADMO O=S(=O)(Nc1ccccc1)[C@@H]1CCC[N@@H+](CCOc2ccc(Oc3ccccc3)cc2)C1 ZINC001460419635 1067631831 /nfs/dbraw/zinc/63/18/31/1067631831.db2.gz XGJLCTHFSWKXBW-RUZDIDTESA-N 1 1 452.576 4.764 20 0 JJADMO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2cnc(-c3ccccc3)nc2)CC[C@@H]1C(F)(F)F ZINC001460440535 1067635470 /nfs/dbraw/zinc/63/54/70/1067635470.db2.gz AYBSGFLSJVJEBQ-OALUTQOASA-N 1 1 450.505 4.669 20 0 JJADMO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2cnc(-c3ccccc3)nc2)CC[C@@H]1C(F)(F)F ZINC001460440535 1067635472 /nfs/dbraw/zinc/63/54/72/1067635472.db2.gz AYBSGFLSJVJEBQ-OALUTQOASA-N 1 1 450.505 4.669 20 0 JJADMO C[C@@H]1C[N@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)CC[C@H]1C(=O)OC(C)(C)C ZINC001460459897 1067638007 /nfs/dbraw/zinc/63/80/07/1067638007.db2.gz QBRKNDRLBQDQJY-FPGHNAPASA-N 1 1 454.636 4.522 20 0 JJADMO C[C@@H]1C[N@@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)CC[C@H]1C(=O)OC(C)(C)C ZINC001460459897 1067638011 /nfs/dbraw/zinc/63/80/11/1067638011.db2.gz QBRKNDRLBQDQJY-FPGHNAPASA-N 1 1 454.636 4.522 20 0 JJADMO Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+](Cc2ccccc2)[C@@H](C)Cc2ccccc2)c(C)c1 ZINC001460478573 1067641760 /nfs/dbraw/zinc/64/17/60/1067641760.db2.gz MFWNNWQLJLCUOU-DEOSSOPVSA-N 1 1 457.618 4.800 20 0 JJADMO CC(C)(C)OC(=O)N1CCN(c2cc([C@H]3CCC[N@@H+](CC4CCC(C)(C)CC4)C3)[nH]n2)CC1 ZINC001460502439 1067645811 /nfs/dbraw/zinc/64/58/11/1067645811.db2.gz FVIMKCNDXJTGPR-NRFANRHFSA-N 1 1 459.679 4.863 20 0 JJADMO CCOc1ccc([C@@H](C)NC(=O)C[NH2+][C@H](C)c2ccc(C(F)(F)F)nc2Cl)cc1OC ZINC001460534858 1067652646 /nfs/dbraw/zinc/65/26/46/1067652646.db2.gz SSFSUSASBCPJDF-CHWSQXEVSA-N 1 1 459.896 4.689 20 0 JJADMO CCOc1ccc([C@H](C)NC(=O)C[NH2+][C@@H](C)c2ccc(C(F)(F)F)nc2Cl)cc1OC ZINC001460534865 1067652731 /nfs/dbraw/zinc/65/27/31/1067652731.db2.gz SSFSUSASBCPJDF-STQMWFEESA-N 1 1 459.896 4.689 20 0 JJADMO O=C(C[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1)Nc1ccccc1C(=O)c1ccccc1 ZINC001460570733 1067658168 /nfs/dbraw/zinc/65/81/68/1067658168.db2.gz OADMRVRJWDEGKX-NRFANRHFSA-N 1 1 457.357 4.876 20 0 JJADMO C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001460633867 1067679523 /nfs/dbraw/zinc/67/95/23/1067679523.db2.gz NRDWTWDHLIWFIM-HIFRSBDPSA-N 1 1 458.386 4.869 20 0 JJADMO C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001460633867 1067679528 /nfs/dbraw/zinc/67/95/28/1067679528.db2.gz NRDWTWDHLIWFIM-HIFRSBDPSA-N 1 1 458.386 4.869 20 0 JJADMO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001460642543 1067683201 /nfs/dbraw/zinc/68/32/01/1067683201.db2.gz IDYPOWRTLMJWHV-UHFFFAOYSA-N 1 1 458.393 4.780 20 0 JJADMO COc1ccc(NC(=O)C[N@H+]2CCC[C@]2(C)Cc2ccc(F)c(C(F)(F)F)c2)c(OC)c1 ZINC001460643715 1067683745 /nfs/dbraw/zinc/68/37/45/1067683745.db2.gz IBJGUMPNYOATIJ-JOCHJYFZSA-N 1 1 454.464 4.897 20 0 JJADMO COc1cc(-c2noc(C[N@H+]3CCC[C@@]3(C)Cc3ccc(F)c(F)c3)n2)cc(OC)c1OC ZINC001460646776 1067684589 /nfs/dbraw/zinc/68/45/89/1067684589.db2.gz RRULBWVTOGIERB-DEOSSOPVSA-N 1 1 459.493 4.638 20 0 JJADMO COc1cc(-c2noc(C[NH+]3CCC(Cc4ccc(Cl)cc4)CC3)n2)cc(OC)c1OC ZINC001460647032 1067684793 /nfs/dbraw/zinc/68/47/93/1067684793.db2.gz AVSPNYKZOHEQFY-UHFFFAOYSA-N 1 1 457.958 4.871 20 0 JJADMO Cc1ccc(S(=O)(=O)N[C@H](C[N@@H+]2CCC[C@@](F)(c3ccccc3)C2)c2ccccc2)cc1 ZINC001460647634 1067685309 /nfs/dbraw/zinc/68/53/09/1067685309.db2.gz ANFMRAPGFYIENP-FTJBHMTQSA-N 1 1 452.595 4.975 20 0 JJADMO Cc1ccc(S(=O)(=O)N[C@H](C[N@H+]2CCC[C@@](F)(c3ccccc3)C2)c2ccccc2)cc1 ZINC001460647634 1067685313 /nfs/dbraw/zinc/68/53/13/1067685313.db2.gz ANFMRAPGFYIENP-FTJBHMTQSA-N 1 1 452.595 4.975 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccc(-n4nc(C)cc4C)cc3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001460649869 1067686805 /nfs/dbraw/zinc/68/68/05/1067686805.db2.gz HSFDAKVXKQHKDZ-IZZNHLLZSA-N 1 1 476.621 4.990 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccc4c(c3)OC(F)(F)O4)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001460652630 1067687904 /nfs/dbraw/zinc/68/79/04/1067687904.db2.gz VDCXFCZYVBWGBN-RBUKOAKNSA-N 1 1 462.493 4.509 20 0 JJADMO Cn1cc([C@@H]2C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc3cccc(SC(F)(F)F)c3)C2)cn1 ZINC001460654868 1067689360 /nfs/dbraw/zinc/68/93/60/1067689360.db2.gz GYKMFBWMVDVSQL-IAGOWNOFSA-N 1 1 455.546 4.979 20 0 JJADMO CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H]2Cc2cccc(Oc3ccccc3)c2)s1 ZINC001460658996 1067691448 /nfs/dbraw/zinc/69/14/48/1067691448.db2.gz GNCBVKPORZGDJA-HXUWFJFHSA-N 1 1 456.633 4.998 20 0 JJADMO CN(C)S(=O)(=O)c1cccc(C[N@H+]2CCC[C@H]2Cc2cccc(Oc3ccccc3)c2)c1 ZINC001460659865 1067691480 /nfs/dbraw/zinc/69/14/80/1067691480.db2.gz MAAVGPPHCXRWND-QHCPKHFHSA-N 1 1 450.604 4.936 20 0 JJADMO O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001460681830 1067700188 /nfs/dbraw/zinc/70/01/88/1067700188.db2.gz SVEBYFQPBXRHGI-HXUWFJFHSA-N 1 1 452.986 4.741 20 0 JJADMO CC(C)(C)OC(=O)N1c2ccccc2[C@H]([NH2+]CC(=O)Nc2ccnn2C2CCCC2)C1(C)C ZINC001460682291 1067700295 /nfs/dbraw/zinc/70/02/95/1067700295.db2.gz CKWFMMQTLISJAW-QFIPXVFZSA-N 1 1 453.587 4.801 20 0 JJADMO C[C@@H](c1ccc(Oc2ccccc2Cl)cc1Cl)[N@@H+](C)CCC(=O)N1CCN(C)CC1 ZINC001460685132 1067701543 /nfs/dbraw/zinc/70/15/43/1067701543.db2.gz CRHVGTQRKUPBMO-KRWDZBQOSA-N 1 1 450.410 4.943 20 0 JJADMO CCc1ccc(C[NH+]2CCN(C[C@](C)(O)c3ccc(Br)cc3Cl)CC2)cc1 ZINC001460703229 1067704761 /nfs/dbraw/zinc/70/47/61/1067704761.db2.gz WXJKJAYVHXXNHU-QFIPXVFZSA-N 1 1 451.836 4.690 20 0 JJADMO Cc1ccc(Oc2ccccc2NC(=O)C[NH2+][C@H](CO)c2ccc(Br)cc2)cc1 ZINC001460702686 1067704817 /nfs/dbraw/zinc/70/48/17/1067704817.db2.gz GOAATHDURPMKAG-OAQYLSRUSA-N 1 1 455.352 4.812 20 0 JJADMO C[N@@H+](CC(=O)Nc1ccc(Br)cc1)C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001460704395 1067705379 /nfs/dbraw/zinc/70/53/79/1067705379.db2.gz DNWBNWNLTIILBF-UHFFFAOYSA-N 1 1 454.409 4.547 20 0 JJADMO COC(=O)c1scc(C)c1NC(=O)[C@H](C)[N@@H+](C[C@@H](OC)c1ccc(Cl)cc1)C(C)C ZINC001460713939 1067707290 /nfs/dbraw/zinc/70/72/90/1067707290.db2.gz USFFNROARTWBHV-MAUKXSAKSA-N 1 1 453.004 4.922 20 0 JJADMO C[N@@H+](Cc1ccccc1Oc1ccc(F)c(Cl)c1)C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC001460719457 1067708782 /nfs/dbraw/zinc/70/87/82/1067708782.db2.gz PTOXCDIUBRYUOA-HSZRJFAPSA-N 1 1 452.954 4.979 20 0 JJADMO CC[NH+]1CCN(c2ccc(NC(=O)CN3CC[C@@H](c4cccc(Cl)c4)C3(C)C)cc2)CC1 ZINC001460723777 1067709901 /nfs/dbraw/zinc/70/99/01/1067709901.db2.gz FCEULAWDJXRMFB-DEOSSOPVSA-N 1 1 455.046 4.689 20 0 JJADMO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(Cc2csc(CC(=O)Nc3ccccc3)n2)CC1 ZINC001460725703 1067710363 /nfs/dbraw/zinc/71/03/63/1067710363.db2.gz CBEFTIQBDWIKLS-HSZRJFAPSA-N 1 1 452.599 4.732 20 0 JJADMO C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001460726682 1067710758 /nfs/dbraw/zinc/71/07/58/1067710758.db2.gz QZHCATZKJDIHIO-IDISGSTGSA-N 1 1 452.595 4.866 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001460726682 1067710769 /nfs/dbraw/zinc/71/07/69/1067710769.db2.gz QZHCATZKJDIHIO-IDISGSTGSA-N 1 1 452.595 4.866 20 0 JJADMO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C[C@](C)(O)c2ccc(Br)cc2F)CC1 ZINC001460731486 1067711655 /nfs/dbraw/zinc/71/16/55/1067711655.db2.gz OQKWYYDTXZWQRU-YADHBBJMSA-N 1 1 453.371 4.704 20 0 JJADMO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C[C@](C)(O)c2ccc(Br)cc2F)CC1 ZINC001460731483 1067711788 /nfs/dbraw/zinc/71/17/88/1067711788.db2.gz OQKWYYDTXZWQRU-VXKWHMMOSA-N 1 1 453.371 4.704 20 0 JJADMO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(CC(=O)Nc2ccc(N3CCCCCC3)cc2)CC1 ZINC001460735195 1067712104 /nfs/dbraw/zinc/71/21/04/1067712104.db2.gz XOJBVFXHBPHCDI-SANMLTNESA-N 1 1 452.618 4.914 20 0 JJADMO CC(C)(C)C[C@@H](NC(=O)C[N@@H+]1Cc2ccccc2OC2(CCOCC2)C1)c1ccc(F)cc1 ZINC001460757366 1067717686 /nfs/dbraw/zinc/71/76/86/1067717686.db2.gz FGBSMSQHAKYBDI-HSZRJFAPSA-N 1 1 454.586 4.863 20 0 JJADMO CC(C)(C)C[C@@H](NC(=O)C[N@H+]1Cc2ccccc2OC2(CCOCC2)C1)c1ccc(F)cc1 ZINC001460757366 1067717692 /nfs/dbraw/zinc/71/76/92/1067717692.db2.gz FGBSMSQHAKYBDI-HSZRJFAPSA-N 1 1 454.586 4.863 20 0 JJADMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccc(OC(F)F)c(F)c1 ZINC001460758576 1067718009 /nfs/dbraw/zinc/71/80/09/1067718009.db2.gz BABPBQXXXPJULJ-RBBKRZOGSA-N 1 1 458.455 4.964 20 0 JJADMO C[C@@H]1C[N@@H+](CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001460774207 1067721170 /nfs/dbraw/zinc/72/11/70/1067721170.db2.gz HMEAUKAZUZZMIY-SYYKKAFVSA-N 1 1 463.638 4.902 20 0 JJADMO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001460822561 1067729344 /nfs/dbraw/zinc/72/93/44/1067729344.db2.gz VJHBNAGPAHNQKK-KSFYIVLOSA-N 1 1 455.521 4.898 20 0 JJADMO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001460822561 1067729356 /nfs/dbraw/zinc/72/93/56/1067729356.db2.gz VJHBNAGPAHNQKK-KSFYIVLOSA-N 1 1 455.521 4.898 20 0 JJADMO C[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001460844470 1067733452 /nfs/dbraw/zinc/73/34/52/1067733452.db2.gz IYMHQSNPQBWYCG-QFBILLFUSA-N 1 1 456.414 4.598 20 0 JJADMO C[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001460844470 1067733460 /nfs/dbraw/zinc/73/34/60/1067733460.db2.gz IYMHQSNPQBWYCG-QFBILLFUSA-N 1 1 456.414 4.598 20 0 JJADMO C[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001460844468 1067733568 /nfs/dbraw/zinc/73/35/68/1067733568.db2.gz IYMHQSNPQBWYCG-APWZRJJASA-N 1 1 456.414 4.598 20 0 JJADMO C[N@H+](CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001460844468 1067733575 /nfs/dbraw/zinc/73/35/75/1067733575.db2.gz IYMHQSNPQBWYCG-APWZRJJASA-N 1 1 456.414 4.598 20 0 JJADMO O[C@@H](COc1cccc(C(F)(F)F)c1)C[N@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001460874669 1067740011 /nfs/dbraw/zinc/74/00/11/1067740011.db2.gz RPLKNGNHLQCGBA-RBUKOAKNSA-N 1 1 458.318 4.915 20 0 JJADMO O=C(NC1CC[NH+](Cc2cccc(Br)c2)CC1)c1cc(-c2ccc(F)cc2)no1 ZINC001460874060 1067740030 /nfs/dbraw/zinc/74/00/30/1067740030.db2.gz VFAYUMYNHYZJBJ-UHFFFAOYSA-N 1 1 458.331 4.638 20 0 JJADMO Cc1cc(C)c(-c2csc(NC(=O)C[N@@H+]3C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C3)n2)c(C)c1 ZINC001460880722 1067741395 /nfs/dbraw/zinc/74/13/95/1067741395.db2.gz JJRDQWCIBBORRB-RTBURBONSA-N 1 1 472.655 4.766 20 0 JJADMO Cc1cc(C)c(-c2csc(NC(=O)C[N@H+]3C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C3)n2)c(C)c1 ZINC001460880722 1067741400 /nfs/dbraw/zinc/74/14/00/1067741400.db2.gz JJRDQWCIBBORRB-RTBURBONSA-N 1 1 472.655 4.766 20 0 JJADMO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001460889563 1067743831 /nfs/dbraw/zinc/74/38/31/1067743831.db2.gz SZTUEISYUOOTHT-LUZMIZLMSA-N 1 1 451.611 4.594 20 0 JJADMO CCCCOc1ccc(-c2nnc(C[N@@H+]3CC[C@H]4CC[C@]43CNC(=O)OC(C)(C)C)o2)cc1 ZINC001460910340 1067746606 /nfs/dbraw/zinc/74/66/06/1067746606.db2.gz USFSITVBCXNFBM-CLOONOSVSA-N 1 1 456.587 4.795 20 0 JJADMO CCCCOc1ccc(-c2nnc(C[N@H+]3CC[C@H]4CC[C@]43CNC(=O)OC(C)(C)C)o2)cc1 ZINC001460910340 1067746612 /nfs/dbraw/zinc/74/66/12/1067746612.db2.gz USFSITVBCXNFBM-CLOONOSVSA-N 1 1 456.587 4.795 20 0 JJADMO CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)Nc1ccccc1Oc1ccccc1)C2 ZINC001460927686 1067749534 /nfs/dbraw/zinc/74/95/34/1067749534.db2.gz CXPZYUQIANPBIC-UFYCRDLUSA-N 1 1 451.567 4.795 20 0 JJADMO CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)Nc1ccccc1Oc1ccccc1)C2 ZINC001460927686 1067749542 /nfs/dbraw/zinc/74/95/42/1067749542.db2.gz CXPZYUQIANPBIC-UFYCRDLUSA-N 1 1 451.567 4.795 20 0 JJADMO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)[C@H]1C ZINC001460936899 1067750854 /nfs/dbraw/zinc/75/08/54/1067750854.db2.gz HTWIYIBXTSPYQT-SPNRKGSLSA-N 1 1 454.636 4.520 20 0 JJADMO CCCCCCc1ccc(-c2csc(NC(=O)[C@H](C)[N@@H+]3CC[C@]4(CCOC4=O)C3)n2)cc1 ZINC001460971244 1067754786 /nfs/dbraw/zinc/75/47/86/1067754786.db2.gz GOVUDZSROICJCS-BVZFJXPGSA-N 1 1 455.624 4.899 20 0 JJADMO CCCCCCc1ccc(-c2csc(NC(=O)[C@H](C)[N@H+]3CC[C@]4(CCOC4=O)C3)n2)cc1 ZINC001460971244 1067754793 /nfs/dbraw/zinc/75/47/93/1067754793.db2.gz GOVUDZSROICJCS-BVZFJXPGSA-N 1 1 455.624 4.899 20 0 JJADMO CC(C)(C)OC(=O)NC[C@]12C[N@@H+](CCOc3ccccc3Br)C[C@H]1CCCC2 ZINC001460969512 1067754842 /nfs/dbraw/zinc/75/48/42/1067754842.db2.gz CYWXAMMFCIAHPN-VGOFRKELSA-N 1 1 453.421 4.845 20 0 JJADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cnc(-c2cccc(Cl)c2)s1 ZINC001460981222 1067756353 /nfs/dbraw/zinc/75/63/53/1067756353.db2.gz IDVDZWMHKDDDKW-TZIWHRDSSA-N 1 1 456.011 4.730 20 0 JJADMO CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460989523 1067758598 /nfs/dbraw/zinc/75/85/98/1067758598.db2.gz WWIDBGXIGHBQJW-RDJZCZTQSA-N 1 1 458.430 4.892 20 0 JJADMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CNC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001460994900 1067759893 /nfs/dbraw/zinc/75/98/93/1067759893.db2.gz IQGRPKOERFHYCO-XMMPIXPASA-N 1 1 452.574 4.559 20 0 JJADMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH2+]C[C@@H]1CN(CC(C)C)CCO1 ZINC001460994900 1067759900 /nfs/dbraw/zinc/75/99/00/1067759900.db2.gz IQGRPKOERFHYCO-XMMPIXPASA-N 1 1 452.574 4.559 20 0 JJADMO CC[NH+](CC)[C@@H](CNCc1cc(C)c(I)cc1C)Cc1ccccc1 ZINC001461029424 1067765124 /nfs/dbraw/zinc/76/51/24/1067765124.db2.gz GSJSSMNJPXENSE-OAQYLSRUSA-N 1 1 450.408 4.951 20 0 JJADMO CCC1(CC)CN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)[N@@H+](C)C2CC2)CCS1 ZINC001546120980 1067766254 /nfs/dbraw/zinc/76/62/54/1067766254.db2.gz GPLNVXAJFSFJBU-FQEVSTJZSA-N 1 1 457.688 4.760 20 0 JJADMO CCC1(CC)CN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+](C)C(C)C)CCS1 ZINC001546121408 1067776975 /nfs/dbraw/zinc/77/69/75/1067776975.db2.gz WSGDWMCXDRSRGD-UHFFFAOYSA-N 1 1 466.095 4.963 20 0 JJADMO COc1cc(CNc2ccc([NH+]3CCCC3)cc2C)cc(I)c1OC ZINC001461086125 1067778873 /nfs/dbraw/zinc/77/88/73/1067778873.db2.gz ZOMZTGYYTTWKTQ-UHFFFAOYSA-N 1 1 452.336 4.829 20 0 JJADMO O=S(=O)(NCc1cccc(F)c1)c1cccc(C[NH2+]Cc2cc(Cl)ccc2Cl)c1 ZINC001461099137 1067781774 /nfs/dbraw/zinc/78/17/74/1067781774.db2.gz FDZRJFHAVAJTCP-UHFFFAOYSA-N 1 1 453.366 4.901 20 0 JJADMO COc1cc(CNCCC[NH+]2CCC(O)CC2)ccc1OCc1ccc(Cl)cc1Cl ZINC001461102226 1067782464 /nfs/dbraw/zinc/78/24/64/1067782464.db2.gz VLCZTQIPYZGFJK-UHFFFAOYSA-N 1 1 453.410 4.517 20 0 JJADMO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC001461116795 1067784364 /nfs/dbraw/zinc/78/43/64/1067784364.db2.gz XBIVOCYRWRCMCW-UHFFFAOYSA-N 1 1 451.386 4.562 20 0 JJADMO CC(C)N(C(=O)CCCc1nc(-c2ccc(F)cc2)no1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001461115346 1067784421 /nfs/dbraw/zinc/78/44/21/1067784421.db2.gz OKDGYVIGNGIAQJ-HSZRJFAPSA-N 1 1 450.558 4.710 20 0 JJADMO CC(=O)Nc1cc(Cl)c(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c(Cl)c1 ZINC001461179197 1067793335 /nfs/dbraw/zinc/79/33/35/1067793335.db2.gz ODLHACLLEKLVGO-KBPBESRZSA-N 1 1 450.366 4.813 20 0 JJADMO Fc1ccc([C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2I)cc1 ZINC001461202209 1067798659 /nfs/dbraw/zinc/79/86/59/1067798659.db2.gz LEEDLZDFVREHQD-UEXGIBASSA-N 1 1 450.339 4.736 20 0 JJADMO C[C@H](NC1(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)CCOCC1)c1ccccc1 ZINC001461229235 1067804932 /nfs/dbraw/zinc/80/49/32/1067804932.db2.gz LFDKVDQWRNASTH-SFHVURJKSA-N 1 1 457.412 4.715 20 0 JJADMO CCC[N@@H+](Cc1ccccc1)Cc1ccc(NC(=O)Cn2c3ccccc3n(CC)c2=O)cc1 ZINC001461236330 1067806335 /nfs/dbraw/zinc/80/63/35/1067806335.db2.gz BXPACNGLFJMVFM-UHFFFAOYSA-N 1 1 456.590 4.874 20 0 JJADMO CCc1ccc([C@H]([NH2+]Cc2ccc(OC)c(OC)c2C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461250775 1067809925 /nfs/dbraw/zinc/80/99/25/1067809925.db2.gz AJNQYYSIOGGKQS-VWLOTQADSA-N 1 1 453.604 4.857 20 0 JJADMO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)s1 ZINC001461256604 1067811571 /nfs/dbraw/zinc/81/15/71/1067811571.db2.gz VFHXNRLAOVRSLA-QFIPXVFZSA-N 1 1 457.617 4.986 20 0 JJADMO Cc1ccc(C(=O)N[C@H](CC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC001461272362 1067815516 /nfs/dbraw/zinc/81/55/16/1067815516.db2.gz MKEATNJPWMTPER-GGXMVOPNSA-N 1 1 455.602 4.637 20 0 JJADMO Clc1ccc(Br)c(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001461282817 1067817574 /nfs/dbraw/zinc/81/75/74/1067817574.db2.gz BZUVWVHULHEMST-UHFFFAOYSA-N 1 1 452.824 4.658 20 0 JJADMO CC(C)(O)C[N@H+]1CCc2c(cccc2NCc2cccc(Br)c2OC(F)F)C1 ZINC001461425713 1067853655 /nfs/dbraw/zinc/85/36/55/1067853655.db2.gz IQIHISLIYYJKKH-UHFFFAOYSA-N 1 1 455.343 4.792 20 0 JJADMO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CNC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001461429951 1067854059 /nfs/dbraw/zinc/85/40/59/1067854059.db2.gz FOKXKEAQVCDTSS-QFIPXVFZSA-N 1 1 459.421 4.868 20 0 JJADMO Cc1nn(C(C)(C)C)c2nc(Cl)c(CNc3ccc(Cl)c(C[N@@H+](C)CCO)c3)cc12 ZINC001461460459 1067862129 /nfs/dbraw/zinc/86/21/29/1067862129.db2.gz PQAQONUHDWDEKZ-UHFFFAOYSA-N 1 1 450.414 4.838 20 0 JJADMO CCN(C(C)=O)c1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)cn1 ZINC001461505530 1067878255 /nfs/dbraw/zinc/87/82/55/1067878255.db2.gz XAWXHXUXSWWXIH-IZZNHLLZSA-N 1 1 456.590 4.617 20 0 JJADMO C[NH+](C)CCCOc1cnccc1CNCc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC001461543390 1067885236 /nfs/dbraw/zinc/88/52/36/1067885236.db2.gz PWWCLRXEWPIATG-UHFFFAOYSA-N 1 1 456.034 4.974 20 0 JJADMO CN(C(=O)c1ccc(NCc2c(F)ccc(Br)c2F)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001461564070 1067889297 /nfs/dbraw/zinc/88/92/97/1067889297.db2.gz JPRRPKUWDIUEJH-MRXNPFEDSA-N 1 1 452.343 4.506 20 0 JJADMO CCOc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C(C)C)C2)cc(OCC)c1OCC ZINC001461595359 1067896888 /nfs/dbraw/zinc/89/68/88/1067896888.db2.gz GAWNDYVOCJRPLM-QHCPKHFHSA-N 1 1 454.611 4.865 20 0 JJADMO CC(C)[C@H]1CN(C(=O)CCCOc2ccccc2Br)CC[N@H+]1Cc1ccccc1 ZINC001461597291 1067897437 /nfs/dbraw/zinc/89/74/37/1067897437.db2.gz JBEJHVSWQKAFBT-JOCHJYFZSA-N 1 1 459.428 4.977 20 0 JJADMO CCc1c(Br)cc(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)cc1Br ZINC001461632428 1067906014 /nfs/dbraw/zinc/90/60/14/1067906014.db2.gz MNZRBTFRGFABHP-OAHLLOKOSA-N 1 1 458.238 4.911 20 0 JJADMO CCOCCOc1ccc(Br)cc1C[NH2+][C@H]1CCc2ccccc2-n2ccnc21 ZINC001461647578 1067908928 /nfs/dbraw/zinc/90/89/28/1067908928.db2.gz IIFKDIGVSATMKI-FQEVSTJZSA-N 1 1 456.384 4.827 20 0 JJADMO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC001461695882 1067920457 /nfs/dbraw/zinc/92/04/57/1067920457.db2.gz QOBZYCGAAKCCEU-GOSISDBHSA-N 1 1 454.290 4.785 20 0 JJADMO CC[NH+]1CCN(C(=O)c2ccc(NCc3cn(Cc4ccccc4)nc3C(C)(C)C)cc2)CC1 ZINC001461723369 1067925933 /nfs/dbraw/zinc/92/59/33/1067925933.db2.gz BFIGZHYKTSGELF-UHFFFAOYSA-N 1 1 459.638 4.619 20 0 JJADMO Cc1cc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)ccc1NC(=O)OC(C)(C)C ZINC001461770449 1067933396 /nfs/dbraw/zinc/93/33/96/1067933396.db2.gz MLGSREARCUFFIA-NHCUHLMSSA-N 1 1 455.603 4.528 20 0 JJADMO Cc1cc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1NC(=O)OC(C)(C)C ZINC001461770457 1067933433 /nfs/dbraw/zinc/93/34/33/1067933433.db2.gz MLGSREARCUFFIA-SFTDATJTSA-N 1 1 455.603 4.528 20 0 JJADMO CCOCCO[C@H]1CC[N@@H+](Cc2c(-c3ccc(F)cc3)nc3ccc(C(F)(F)F)cn32)C1 ZINC001461863398 1067949684 /nfs/dbraw/zinc/94/96/84/1067949684.db2.gz ONOINSALSRHYGR-IBGZPJMESA-N 1 1 451.464 4.787 20 0 JJADMO CC1(C)C[N@@H+](Cc2ccccc2)C(C)(C)CN1C(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC001461875858 1067952509 /nfs/dbraw/zinc/95/25/09/1067952509.db2.gz YDCFZTGPGMOFDK-NRFANRHFSA-N 1 1 457.412 4.654 20 0 JJADMO Cc1nn(-c2ccccc2Br)cc1CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001461897591 1067957187 /nfs/dbraw/zinc/95/71/87/1067957187.db2.gz LTVDEADULNAAPE-YFHOEESVSA-N 1 1 451.412 4.774 20 0 JJADMO COCc1ccccc1/C=C(\C)C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC001461899206 1067957512 /nfs/dbraw/zinc/95/75/12/1067957512.db2.gz ODOGUCOIWHQIPF-WPNIOXTASA-N 1 1 458.400 4.745 20 0 JJADMO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC001461902900 1067958484 /nfs/dbraw/zinc/95/84/84/1067958484.db2.gz XZJCCMCLTCAVRS-VLIAUNLRSA-N 1 1 451.350 4.537 20 0 JJADMO COC(=O)[C@@H](C)Oc1ccc(C[N@H+]2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC001461902900 1067958490 /nfs/dbraw/zinc/95/84/90/1067958490.db2.gz XZJCCMCLTCAVRS-VLIAUNLRSA-N 1 1 451.350 4.537 20 0 JJADMO CCOc1cc(C[N@@H+]2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc(Br)c1O ZINC001461962022 1067969980 /nfs/dbraw/zinc/96/99/80/1067969980.db2.gz OUMGLCKGYZIIJV-HOCLYGCPSA-N 1 1 457.409 4.679 20 0 JJADMO CCOc1cc(C[N@H+]2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc(Br)c1O ZINC001461962022 1067969987 /nfs/dbraw/zinc/96/99/87/1067969987.db2.gz OUMGLCKGYZIIJV-HOCLYGCPSA-N 1 1 457.409 4.679 20 0 JJADMO C[N@H+](Cc1ccccc1-c1ccccc1)C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC001461971060 1067971819 /nfs/dbraw/zinc/97/18/19/1067971819.db2.gz NUGWQPWJXBULGR-NRFANRHFSA-N 1 1 451.611 4.549 20 0 JJADMO CCOc1cccc(N2CC[NH+](Cc3cn(-c4ccccc4Cl)nc3C(C)(C)C)CC2)n1 ZINC001461972829 1067972490 /nfs/dbraw/zinc/97/24/90/1067972490.db2.gz YTWQSSOFRRKLMN-UHFFFAOYSA-N 1 1 454.018 4.939 20 0 JJADMO Cc1ccc(C(=O)N[C@@H](CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)c2ccccc2)cc1 ZINC001461986814 1067975588 /nfs/dbraw/zinc/97/55/88/1067975588.db2.gz BRKRAQSPVYFXGW-HOFKKMOUSA-N 1 1 455.602 4.762 20 0 JJADMO C[C@H]1C[C@H](N(C)Cc2cccc(F)c2I)CC[N@H+]1Cc1ccccc1 ZINC001461989074 1067975896 /nfs/dbraw/zinc/97/58/96/1067975896.db2.gz ZALZWDNGMCFPHR-QFBILLFUSA-N 1 1 452.355 4.915 20 0 JJADMO CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CC[N@H+]1Cc1ccc(OCC(=O)OC)cc1 ZINC001461999736 1067977620 /nfs/dbraw/zinc/97/76/20/1067977620.db2.gz REIJPVIDGVFKDV-OAQYLSRUSA-N 1 1 450.501 4.748 20 0 JJADMO CCOc1cc(C[N@@H+](C)C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)ccc1OC(F)F ZINC001462013056 1067980299 /nfs/dbraw/zinc/98/02/99/1067980299.db2.gz HGSAAMWYOHHRKL-OAHLLOKOSA-N 1 1 450.473 4.763 20 0 JJADMO CCOc1cc(C[N@@H+](C)C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)ccc1OC(F)F ZINC001462013050 1067980509 /nfs/dbraw/zinc/98/05/09/1067980509.db2.gz HGSAAMWYOHHRKL-HNNXBMFYSA-N 1 1 450.473 4.763 20 0 JJADMO C[C@@]1(c2ccccc2)CC[C@H]([NH+]2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC001462017096 1067981921 /nfs/dbraw/zinc/98/19/21/1067981921.db2.gz GCVCOVQEGQNVCC-PGRDOPGGSA-N 1 1 453.435 4.810 20 0 JJADMO Cc1cc(Br)cc(CN2CC[NH+](CCOc3ccccc3)CC2)c1OC(F)F ZINC001462020356 1067982357 /nfs/dbraw/zinc/98/23/57/1067982357.db2.gz LYAWVJHMWRAZJA-UHFFFAOYSA-N 1 1 455.343 4.556 20 0 JJADMO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)nc2Cl)C1)C1CCCC1 ZINC001462081805 1067998182 /nfs/dbraw/zinc/99/81/82/1067998182.db2.gz HADHSZANXBBSIU-CQSZACIVSA-N 1 1 455.912 4.985 20 0 JJADMO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)nc2Cl)C1)C1CCCC1 ZINC001462081805 1067998191 /nfs/dbraw/zinc/99/81/91/1067998191.db2.gz HADHSZANXBBSIU-CQSZACIVSA-N 1 1 455.912 4.985 20 0 JJADMO CC(C)(C)OC(=O)NCC1(C[N@H+]2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CCC1 ZINC001462093247 1068000788 /nfs/dbraw/zinc/00/07/88/1068000788.db2.gz KWAMVIQYFKVPPD-UHFFFAOYSA-N 1 1 451.652 4.795 20 0 JJADMO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC001462096282 1068001798 /nfs/dbraw/zinc/00/17/98/1068001798.db2.gz NAJFKFHSBGLVEN-UHFFFAOYSA-N 1 1 455.477 4.539 20 0 JJADMO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC001462096282 1068001810 /nfs/dbraw/zinc/00/18/10/1068001810.db2.gz NAJFKFHSBGLVEN-UHFFFAOYSA-N 1 1 455.477 4.539 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)c2cnn(C(C)C)c2Cl)cc1 ZINC001462102635 1068003384 /nfs/dbraw/zinc/00/33/84/1068003384.db2.gz CIPVFXUIAUAWRT-XZOQPEGZSA-N 1 1 452.986 4.524 20 0 JJADMO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)Cc1ccc(N(C)c2ccccc2)nc1 ZINC001462109292 1068005659 /nfs/dbraw/zinc/00/56/59/1068005659.db2.gz HCCPYIWJIWUVRM-HXUWFJFHSA-N 1 1 450.608 4.582 20 0 JJADMO COc1ccc(CCC(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)c(Br)c1 ZINC001462120783 1068008982 /nfs/dbraw/zinc/00/89/82/1068008982.db2.gz TWKBGWLIVVBJOC-NRFANRHFSA-N 1 1 459.428 4.951 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CN(Cc1ccco1)c1cccc(Cl)c1 ZINC001462122592 1068009286 /nfs/dbraw/zinc/00/92/86/1068009286.db2.gz NBABADORLDGUJY-UNMCSNQZSA-N 1 1 451.998 4.824 20 0 JJADMO COc1ccc(C[N@@H+](CC2CCC2)C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)c(OC)c1 ZINC001462149615 1068015788 /nfs/dbraw/zinc/01/57/88/1068015788.db2.gz NBTZTBKLAGRZIO-IBGZPJMESA-N 1 1 454.558 4.951 20 0 JJADMO O=C1C[C@@]2(CC[N@@H+](Cc3ccc(Br)cc3Oc3ccc(F)c(Cl)c3)C2)CN1 ZINC001462180677 1068023257 /nfs/dbraw/zinc/02/32/57/1068023257.db2.gz CQFXAWXBDZLXNY-FQEVSTJZSA-N 1 1 453.739 4.746 20 0 JJADMO O=C1C[C@@]2(CC[N@H+](Cc3ccc(Br)cc3Oc3ccc(F)c(Cl)c3)C2)CN1 ZINC001462180677 1068023268 /nfs/dbraw/zinc/02/32/68/1068023268.db2.gz CQFXAWXBDZLXNY-FQEVSTJZSA-N 1 1 453.739 4.746 20 0 JJADMO COC(=O)[C@]12C[N@@H+](Cc3cc(F)ccc3Oc3ccc(Cl)c(Cl)c3)C[C@H]1COCC2 ZINC001462186385 1068024821 /nfs/dbraw/zinc/02/48/21/1068024821.db2.gz CLJMKESVWPSTOS-OYHNWAKOSA-N 1 1 454.325 4.936 20 0 JJADMO CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccc(Sc4ccccc4)cc3)C2)CC1 ZINC001462225310 1068032220 /nfs/dbraw/zinc/03/22/20/1068032220.db2.gz UBAAXNRMHQBQEC-QFIPXVFZSA-N 1 1 453.652 4.965 20 0 JJADMO CC1CCN(C(=O)OC[C@H]2CCCC[N@@H+]2Cc2cnc(NC(=O)OC(C)(C)C)s2)CC1 ZINC001462231437 1068034441 /nfs/dbraw/zinc/03/44/41/1068034441.db2.gz VYVJUQDGLBSDGQ-QGZVFWFLSA-N 1 1 452.621 4.713 20 0 JJADMO CC1CCN(C(=O)OC[C@H]2CCCC[N@H+]2Cc2cnc(NC(=O)OC(C)(C)C)s2)CC1 ZINC001462231437 1068034452 /nfs/dbraw/zinc/03/44/52/1068034452.db2.gz VYVJUQDGLBSDGQ-QGZVFWFLSA-N 1 1 452.621 4.713 20 0 JJADMO CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001462234281 1068034820 /nfs/dbraw/zinc/03/48/20/1068034820.db2.gz ZIIIMEUQBPKUCO-DHIUTWEWSA-N 1 1 455.643 4.585 20 0 JJADMO O=C(NCc1c(Cl)cccc1OC(F)F)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001462245046 1068037060 /nfs/dbraw/zinc/03/70/60/1068037060.db2.gz NLOBQOIRJSOTLR-QZTJIDSGSA-N 1 1 477.964 4.930 20 0 JJADMO Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)C1 ZINC001462258702 1068040171 /nfs/dbraw/zinc/04/01/71/1068040171.db2.gz JVDYVEMIMITFPG-IBGZPJMESA-N 1 1 458.480 4.905 20 0 JJADMO Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)C1 ZINC001462258702 1068040186 /nfs/dbraw/zinc/04/01/86/1068040186.db2.gz JVDYVEMIMITFPG-IBGZPJMESA-N 1 1 458.480 4.905 20 0 JJADMO CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001462268886 1068041728 /nfs/dbraw/zinc/04/17/28/1068041728.db2.gz GABMIKRDYVQWFC-BVAGGSTKSA-N 1 1 456.696 4.859 20 0 JJADMO COc1cccc(Sc2ccccc2C[N@@H+]2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC001462280632 1068043238 /nfs/dbraw/zinc/04/32/38/1068043238.db2.gz FQMUZRLJGUYZTC-UHFFFAOYSA-N 1 1 456.608 4.668 20 0 JJADMO COc1cccc(Sc2ccccc2C[N@H+]2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC001462280632 1068043255 /nfs/dbraw/zinc/04/32/55/1068043255.db2.gz FQMUZRLJGUYZTC-UHFFFAOYSA-N 1 1 456.608 4.668 20 0 JJADMO COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c(OCc2cccnc2)c1 ZINC001462294332 1068046226 /nfs/dbraw/zinc/04/62/26/1068046226.db2.gz KJIMDJWBRHRFLS-NZQKXSOJSA-N 1 1 453.583 4.501 20 0 JJADMO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[N@@H+]1CC2(CCOCC2)[C@H]1C(C)C ZINC001462348498 1068056564 /nfs/dbraw/zinc/05/65/64/1068056564.db2.gz HMBKGQMNWCAGHJ-HXUWFJFHSA-N 1 1 452.382 4.603 20 0 JJADMO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[N@H+]1CC2(CCOCC2)[C@H]1C(C)C ZINC001462348498 1068056576 /nfs/dbraw/zinc/05/65/76/1068056576.db2.gz HMBKGQMNWCAGHJ-HXUWFJFHSA-N 1 1 452.382 4.603 20 0 JJADMO Cc1cc(Br)ccc1NC(=O)C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC001462359241 1068059214 /nfs/dbraw/zinc/05/92/14/1068059214.db2.gz AXEOAYZXCLKSAR-UHFFFAOYSA-N 1 1 452.599 4.963 20 0 JJADMO COC(=O)[C@@H]1C[N@@H+](Cc2cccc(Br)c2)C[C@H]1c1ccc(Br)cc1 ZINC001462362763 1068060331 /nfs/dbraw/zinc/06/03/31/1068060331.db2.gz RTNVALBPZBDHDU-ZWKOTPCHSA-N 1 1 453.174 4.600 20 0 JJADMO CCC1(Cn2c(-c3ccc(C)c(Br)c3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001546131115 1068060626 /nfs/dbraw/zinc/06/06/26/1068060626.db2.gz PINMYRWTYNFYOL-KDURUIRLSA-N 1 1 490.490 4.752 20 0 JJADMO CCC1(Cn2c(-c3ccc(C)c(Br)c3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001546131115 1068060643 /nfs/dbraw/zinc/06/06/43/1068060643.db2.gz PINMYRWTYNFYOL-KDURUIRLSA-N 1 1 490.490 4.752 20 0 JJADMO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH+]1CCC(C2CCOCC2)CC1 ZINC001462371909 1068061792 /nfs/dbraw/zinc/06/17/92/1068061792.db2.gz SYEDXDZGSPKNHI-UHFFFAOYSA-N 1 1 452.382 4.604 20 0 JJADMO COCC[N@@H+](Cc1nc2ccc(F)cc2s1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001462396143 1068065020 /nfs/dbraw/zinc/06/50/20/1068065020.db2.gz POARBIHLCUJHIY-UHFFFAOYSA-N 1 1 457.571 4.685 20 0 JJADMO COC(=O)[C@H]1C[C@@H](C(F)(F)F)C[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC001462420318 1068070806 /nfs/dbraw/zinc/07/08/06/1068070806.db2.gz DZBMFQXPVAHEJC-QWHCGFSZSA-N 1 1 463.319 4.746 20 0 JJADMO COC(=O)[C@H]1C[C@@H](C(F)(F)F)C[N@@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC001462420318 1068070822 /nfs/dbraw/zinc/07/08/22/1068070822.db2.gz DZBMFQXPVAHEJC-QWHCGFSZSA-N 1 1 463.319 4.746 20 0 JJADMO Cc1ccc(OCCCC(=O)N2CC[C@@]3(C2)C[N@@H+](Cc2ccccc2)C[C@@H](C)O3)c(Cl)c1 ZINC001462436241 1068074271 /nfs/dbraw/zinc/07/42/71/1068074271.db2.gz FHILNNIIOVDMPC-RLWLMLJZSA-N 1 1 457.014 4.699 20 0 JJADMO Cc1ccc(OCCCC(=O)N2CC[C@@]3(C2)C[N@H+](Cc2ccccc2)C[C@@H](C)O3)c(Cl)c1 ZINC001462436241 1068074285 /nfs/dbraw/zinc/07/42/85/1068074285.db2.gz FHILNNIIOVDMPC-RLWLMLJZSA-N 1 1 457.014 4.699 20 0 JJADMO Cc1cc(OCCCC(=O)N2CC[C@@]3(C2)C[N@@H+](Cc2ccccc2)C[C@H](C)O3)ccc1Cl ZINC001462443758 1068075773 /nfs/dbraw/zinc/07/57/73/1068075773.db2.gz OHDUAMWPEYIKIA-LVXARBLLSA-N 1 1 457.014 4.699 20 0 JJADMO Cc1cc(OCCCC(=O)N2CC[C@@]3(C2)C[N@H+](Cc2ccccc2)C[C@H](C)O3)ccc1Cl ZINC001462443758 1068075786 /nfs/dbraw/zinc/07/57/86/1068075786.db2.gz OHDUAMWPEYIKIA-LVXARBLLSA-N 1 1 457.014 4.699 20 0 JJADMO O=C(N1CCC[C@@H](C2CC[NH+](Cc3cccc(Br)c3F)CC2)C1)C(F)(F)F ZINC001462443729 1068075808 /nfs/dbraw/zinc/07/58/08/1068075808.db2.gz UIGJDDDQSJLUMH-CQSZACIVSA-N 1 1 451.302 4.601 20 0 JJADMO CN(CCOCC[N@@H+](C)Cc1cn(Cc2ccccc2)nc1C(C)(C)C)C(=O)OC(C)(C)C ZINC001462443671 1068075910 /nfs/dbraw/zinc/07/59/10/1068075910.db2.gz YTYNWHKXUYTWRX-UHFFFAOYSA-N 1 1 458.647 4.544 20 0 JJADMO C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CC[C@]2(C1)C[N@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC001462447229 1068076279 /nfs/dbraw/zinc/07/62/79/1068076279.db2.gz SCNIZKHKHAKHGO-DQCZWYHMSA-N 1 1 450.623 4.643 20 0 JJADMO C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CC[C@]2(C1)C[N@@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC001462447229 1068076291 /nfs/dbraw/zinc/07/62/91/1068076291.db2.gz SCNIZKHKHAKHGO-DQCZWYHMSA-N 1 1 450.623 4.643 20 0 JJADMO COc1cc(OC)c(C2CC[NH+](Cc3cnn(Cc4ccccc4)c3Cl)CC2)c(OC)c1 ZINC001462452020 1068077400 /nfs/dbraw/zinc/07/74/00/1068077400.db2.gz GGDXWCREVQVXKR-UHFFFAOYSA-N 1 1 455.986 4.990 20 0 JJADMO CC[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@H](c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)n[nH]3)C2)C1 ZINC001462451897 1068077521 /nfs/dbraw/zinc/07/75/21/1068077521.db2.gz LCCOHJADXOGJTR-VSKRKVRLSA-N 1 1 459.679 4.863 20 0 JJADMO CC[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H](c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)n[nH]3)C2)C1 ZINC001462451892 1068077615 /nfs/dbraw/zinc/07/76/15/1068077615.db2.gz LCCOHJADXOGJTR-BHIFYINESA-N 1 1 459.679 4.863 20 0 JJADMO Cc1scc(C[N@H+]2CCC[C@@H](c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)n[nH]3)C2)c1C ZINC001462454897 1068078520 /nfs/dbraw/zinc/07/85/20/1068078520.db2.gz YGVRHJFQBBPXIO-LJQANCHMSA-N 1 1 459.660 4.525 20 0 JJADMO COC(=O)CCc1cccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)c1 ZINC001462470572 1068080927 /nfs/dbraw/zinc/08/09/27/1068080927.db2.gz LPVJCSKBUCLBLD-GGXMVOPNSA-N 1 1 456.586 4.821 20 0 JJADMO CN(C)C(=O)NCCc1ccc(N[C@H]2CC[N@H+](C)[C@H](c3ccc(Br)cc3)C2)cc1 ZINC001462490905 1068084479 /nfs/dbraw/zinc/08/44/79/1068084479.db2.gz KGXSPIQAKCEEKW-VXKWHMMOSA-N 1 1 459.432 4.510 20 0 JJADMO CN(C)C(=O)NCCc1ccc(N[C@H]2CC[N@@H+](C)[C@H](c3ccc(Br)cc3)C2)cc1 ZINC001462490905 1068084493 /nfs/dbraw/zinc/08/44/93/1068084493.db2.gz KGXSPIQAKCEEKW-VXKWHMMOSA-N 1 1 459.432 4.510 20 0 JJADMO CC(C)(C)OC(=O)N1CC(c2cc(CN[C@H]3CCCCC[N@@H+](Cc4ccccc4)C3)on2)C1 ZINC001462500606 1068086860 /nfs/dbraw/zinc/08/68/60/1068086860.db2.gz CYNPRLYQNREOAO-QFIPXVFZSA-N 1 1 454.615 4.543 20 0 JJADMO CC(C)(C)OC(=O)N1CC(c2cc(C[NH2+][C@H]3CCCCCN(Cc4ccccc4)C3)on2)C1 ZINC001462500606 1068086874 /nfs/dbraw/zinc/08/68/74/1068086874.db2.gz CYNPRLYQNREOAO-QFIPXVFZSA-N 1 1 454.615 4.543 20 0 JJADMO C[C@]1(CO)C[N@@H+](Cc2ccc(Br)cc2Oc2cccc(Cl)c2)C[C@@]1(C)CO ZINC001462503158 1068087154 /nfs/dbraw/zinc/08/71/54/1068087154.db2.gz GKAQPZSSGRPQLA-OYRHEFFESA-N 1 1 454.792 4.708 20 0 JJADMO C[C@]1(CO)C[N@H+](Cc2ccc(Br)cc2Oc2cccc(Cl)c2)C[C@@]1(C)CO ZINC001462503158 1068087167 /nfs/dbraw/zinc/08/71/67/1068087167.db2.gz GKAQPZSSGRPQLA-OYRHEFFESA-N 1 1 454.792 4.708 20 0 JJADMO CN(C)c1nc(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)c(Cl)n1-c1ccc(Br)cc1 ZINC001462521922 1068090727 /nfs/dbraw/zinc/09/07/27/1068090727.db2.gz KEZGXWVEIPKEEB-KBPBESRZSA-N 1 1 455.853 4.539 20 0 JJADMO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3cc4c(C)nn(C(C)(C)C)c4nc3Cl)C2)cc1F ZINC001462550451 1068096701 /nfs/dbraw/zinc/09/67/01/1068096701.db2.gz VINGDEHFMJWLLS-MRXNPFEDSA-N 1 1 459.953 4.579 20 0 JJADMO CCOC(=O)c1sc(CC2CC[NH+](Cc3cncc(Br)c3C)CC2)nc1C ZINC001462550948 1068096728 /nfs/dbraw/zinc/09/67/28/1068096728.db2.gz SLAASTRGPPFRII-UHFFFAOYSA-N 1 1 452.418 4.549 20 0 JJADMO FC(F)(F)[C@]12CCC[C@H]1C[N@H+](Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1)C2 ZINC001462586517 1068105224 /nfs/dbraw/zinc/10/52/24/1068105224.db2.gz KVXSIMFVKOUBTO-JXFKEZNVSA-N 1 1 467.359 4.869 20 0 JJADMO FC(F)(F)[C@]12CCC[C@H]1C[N@@H+](Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1)C2 ZINC001462586517 1068105228 /nfs/dbraw/zinc/10/52/28/1068105228.db2.gz KVXSIMFVKOUBTO-JXFKEZNVSA-N 1 1 467.359 4.869 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCC3(c4ccc(Br)cc4)CC3)cc2)C[C@H](C)O1 ZINC001462634275 1068119367 /nfs/dbraw/zinc/11/93/67/1068119367.db2.gz LPLFGMHKPGFYPN-HDICACEKSA-N 1 1 457.412 4.520 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCC3(c4ccc(Br)cc4)CC3)cc2)C[C@H](C)O1 ZINC001462634275 1068119371 /nfs/dbraw/zinc/11/93/71/1068119371.db2.gz LPLFGMHKPGFYPN-HDICACEKSA-N 1 1 457.412 4.520 20 0 JJADMO COC(=O)c1cnc([C@@H](C)[NH2+]C[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)s1 ZINC001462666008 1068127230 /nfs/dbraw/zinc/12/72/30/1068127230.db2.gz ZRXMVVNBMHTDNH-CZUORRHYSA-N 1 1 452.502 4.729 20 0 JJADMO COc1ccccc1[C@H](CNS(=O)(=O)Cc1ccc(C2CCCCC2)cc1)[NH+]1CCCC1 ZINC001462734770 1068147655 /nfs/dbraw/zinc/14/76/55/1068147655.db2.gz SZBMXSOVJHGMFX-VWLOTQADSA-N 1 1 456.652 4.999 20 0 JJADMO CC[N@@H+](Cc1ccc(C(=O)NCc2ccn(-c3ccc(Br)cc3)n2)cc1)C(C)C ZINC001462754591 1068156521 /nfs/dbraw/zinc/15/65/21/1068156521.db2.gz KUYJEJGPRDLZEC-UHFFFAOYSA-N 1 1 455.400 4.795 20 0 JJADMO COc1cc(C)c(S(=O)(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1C(C)C ZINC001462755845 1068156954 /nfs/dbraw/zinc/15/69/54/1068156954.db2.gz SNKWQIIMQDOLDS-UHFFFAOYSA-N 1 1 451.032 4.723 20 0 JJADMO COc1cc(-n2cccc2)c(Cl)cc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001462762464 1068158852 /nfs/dbraw/zinc/15/88/52/1068158852.db2.gz JKLBDYHKPBMZQG-UYAOXDASSA-N 1 1 477.914 4.932 20 0 JJADMO COc1cc(-n2cccc2)c(Cl)cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001462762464 1068158859 /nfs/dbraw/zinc/15/88/59/1068158859.db2.gz JKLBDYHKPBMZQG-UYAOXDASSA-N 1 1 477.914 4.932 20 0 JJADMO C[N@@H+](CCCNS(=O)(=O)c1ccc(Br)c(Cl)c1Cl)C1CCCCC1 ZINC001462801225 1068171143 /nfs/dbraw/zinc/17/11/43/1068171143.db2.gz ABQMZJDWBSPGPO-UHFFFAOYSA-N 1 1 458.249 4.689 20 0 JJADMO COc1ccc2c(c1)C=C(S(=O)(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC001462830398 1068182009 /nfs/dbraw/zinc/18/20/09/1068182009.db2.gz KVXUXUAXSGNQME-BGYRXZFFSA-N 1 1 454.636 4.580 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1CNS(=O)(=O)Cc1cccc(Cl)c1Br ZINC001462833651 1068183781 /nfs/dbraw/zinc/18/37/81/1068183781.db2.gz ONLPMYOXHDBNTJ-UHFFFAOYSA-N 1 1 459.837 4.562 20 0 JJADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2OC(F)F)cc1 ZINC001462835077 1068184436 /nfs/dbraw/zinc/18/44/36/1068184436.db2.gz UGLONCHLIUUKFP-HNNXBMFYSA-N 1 1 458.958 4.794 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNS(=O)(=O)Cc3cccc(C(F)(F)F)c3)cc2)C1 ZINC001462839097 1068185841 /nfs/dbraw/zinc/18/58/41/1068185841.db2.gz SVTUSZLUBQBHJC-HDICACEKSA-N 1 1 454.558 4.803 20 0 JJADMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)c2sccc2Cl)CC1 ZINC001462894417 1068206046 /nfs/dbraw/zinc/20/60/46/1068206046.db2.gz DXQRRYSHFUUABD-UHFFFAOYSA-N 1 1 452.951 4.705 20 0 JJADMO CCCN([C@@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccccc1OC(F)(F)F ZINC001462982288 1068238764 /nfs/dbraw/zinc/23/87/64/1068238764.db2.gz LLAMNDHYORNWGE-LJQANCHMSA-N 1 1 456.530 4.651 20 0 JJADMO CCCN([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccccc1OC(F)(F)F ZINC001462982288 1068238776 /nfs/dbraw/zinc/23/87/76/1068238776.db2.gz LLAMNDHYORNWGE-LJQANCHMSA-N 1 1 456.530 4.651 20 0 JJADMO CCn1c(SCC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)nnc1-c1ccc(Cl)cc1 ZINC001463067726 1068274755 /nfs/dbraw/zinc/27/47/55/1068274755.db2.gz NNLLWQWHXYJKED-UHFFFAOYSA-N 1 1 457.003 4.735 20 0 JJADMO CC[N@@H+](CCC1CCN(C(=O)[C@H](C)Oc2ccc(F)cc2Br)CC1)CC1CC1 ZINC001546136538 1068287593 /nfs/dbraw/zinc/28/75/93/1068287593.db2.gz IGZBBVOHEHJUPQ-INIZCTEOSA-N 1 1 455.412 4.716 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(OCC2CCCCC2)cc1 ZINC001463120236 1068293914 /nfs/dbraw/zinc/29/39/14/1068293914.db2.gz IVOSOPMCVKQMOA-JOCHJYFZSA-N 1 1 456.652 4.931 20 0 JJADMO C[C@@]1(NC(=O)c2ncsc2Br)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001463145824 1068302186 /nfs/dbraw/zinc/30/21/86/1068302186.db2.gz DZLRSCDOCFIBOD-PGRDOPGGSA-N 1 1 456.409 4.694 20 0 JJADMO C[C@@]1(NC(=O)[C@H](C[C@@H]2CCCO2)C(F)(F)F)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001463149612 1068303554 /nfs/dbraw/zinc/30/35/54/1068303554.db2.gz OQLPSEZQRUNFOG-KELBGUDLSA-N 1 1 460.540 4.909 20 0 JJADMO Cc1ccc2ncccc2c1S(=O)(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC001463212494 1068321780 /nfs/dbraw/zinc/32/17/80/1068321780.db2.gz NJBZUAASHKJEMF-UHFFFAOYSA-N 1 1 459.615 4.866 20 0 JJADMO Cc1ccc2ncccc2c1S(=O)(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC001463212494 1068321794 /nfs/dbraw/zinc/32/17/94/1068321794.db2.gz NJBZUAASHKJEMF-UHFFFAOYSA-N 1 1 459.615 4.866 20 0 JJADMO Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)NC[C@H]3CCCC[N@@H+]3C)cc12 ZINC001463219854 1068323941 /nfs/dbraw/zinc/32/39/41/1068323941.db2.gz AQVGRJFZZHBJKS-MRXNPFEDSA-N 1 1 451.423 4.975 20 0 JJADMO C[C@@H](Cc1ccsc1)N(C)S(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001463242651 1068333005 /nfs/dbraw/zinc/33/30/05/1068333005.db2.gz ZTCCWNFISBKXQA-PNTFMKQHSA-N 1 1 472.651 4.748 20 0 JJADMO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N[C@H](C)c2ccc(F)cc2F)cc1 ZINC001463247725 1068333778 /nfs/dbraw/zinc/33/37/78/1068333778.db2.gz BSYSBEGDALYTRP-YZXAJQSBSA-N 1 1 470.585 4.922 20 0 JJADMO CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001463344324 1068364460 /nfs/dbraw/zinc/36/44/60/1068364460.db2.gz UAPWTOONIDRODP-NAVOZUGXSA-N 1 1 469.670 4.829 20 0 JJADMO CS[C@@H]1CCCCN(S(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(C)cc2)C1 ZINC001463375542 1068376464 /nfs/dbraw/zinc/37/64/64/1068376464.db2.gz INNNZQGGOYBWPK-DSNGMDLFSA-N 1 1 458.693 4.510 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@]2(CCCCN2C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001463412828 1068389814 /nfs/dbraw/zinc/38/98/14/1068389814.db2.gz LTUZXDDMXUHYOZ-HOFKKMOUSA-N 1 1 455.643 4.681 20 0 JJADMO Cc1c2cc(F)ccc2oc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001463431759 1068395561 /nfs/dbraw/zinc/39/55/61/1068395561.db2.gz FMKIHJGIQUOSAE-XOBRGWDASA-N 1 1 454.926 4.644 20 0 JJADMO Cc1c2cc(F)ccc2oc1S(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001463431759 1068395577 /nfs/dbraw/zinc/39/55/77/1068395577.db2.gz FMKIHJGIQUOSAE-XOBRGWDASA-N 1 1 454.926 4.644 20 0 JJADMO C[NH+](C)[C@H](CNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001463567499 1068448100 /nfs/dbraw/zinc/44/81/00/1068448100.db2.gz BOBXKGWGHKBUBB-QGZVFWFLSA-N 1 1 455.329 4.735 20 0 JJADMO C[C@H](NS(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1)c1ccc(Cl)cn1 ZINC001463690938 1068495583 /nfs/dbraw/zinc/49/55/83/1068495583.db2.gz IHRAEAYAYNXEAR-OZWPHOJSSA-N 1 1 474.001 4.523 20 0 JJADMO C[C@H](CCc1ccc(I)cc1)CC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC001463722393 1068504915 /nfs/dbraw/zinc/50/49/15/1068504915.db2.gz BGHGJHFCMDKTAZ-QZTJIDSGSA-N 1 1 456.412 4.631 20 0 JJADMO CC(C)CCOc1ccc(S(=O)(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001463768967 1068518226 /nfs/dbraw/zinc/51/82/26/1068518226.db2.gz RQGRGCCZBDACME-CWAQXLGLSA-N 1 1 456.652 4.976 20 0 JJADMO CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC001463792637 1068525896 /nfs/dbraw/zinc/52/58/96/1068525896.db2.gz AHAGRRNLCUGLPZ-LJQANCHMSA-N 1 1 452.549 4.609 20 0 JJADMO CC(C)(C)OC(=O)N=c1[nH]cc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)s1 ZINC001463836518 1068542525 /nfs/dbraw/zinc/54/25/25/1068542525.db2.gz JUGIMVIZWGKIFV-MRXNPFEDSA-N 1 1 450.992 4.710 20 0 JJADMO Cc1cccc(S(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)c1Cl ZINC001463846139 1068546372 /nfs/dbraw/zinc/54/63/72/1068546372.db2.gz MBNTURADOPRCJJ-FCHUYYIVSA-N 1 1 458.986 4.734 20 0 JJADMO CC[C@@H]1[C@@H](C(=O)N2CCN(Cc3ccc(-c4ccc(Br)cc4)s3)CC2)CC[N@H+]1C ZINC001464042424 1068598118 /nfs/dbraw/zinc/59/81/18/1068598118.db2.gz MLMDBKISQVOCFI-LEWJYISDSA-N 1 1 476.484 4.552 20 0 JJADMO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)C[C@@H]4C[C@@H](C)CC(C)(C)C4)CC3)n2)cc1 ZINC001464077210 1068607653 /nfs/dbraw/zinc/60/76/53/1068607653.db2.gz WAJLQTIGJYKFQH-YADHBBJMSA-N 1 1 452.643 4.974 20 0 JJADMO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NCC(C)(C)c2ccc(C)cn2)cc1 ZINC001464083111 1068608282 /nfs/dbraw/zinc/60/82/82/1068608282.db2.gz WEUBMFQPOXJPSZ-IZZNHLLZSA-N 1 1 477.674 4.564 20 0 JJADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)C1 ZINC001464149197 1068633731 /nfs/dbraw/zinc/63/37/31/1068633731.db2.gz BZPKEZRTHKNIBI-FQEVSTJZSA-N 1 1 451.611 4.873 20 0 JJADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)C1 ZINC001464154049 1068634964 /nfs/dbraw/zinc/63/49/64/1068634964.db2.gz MICMPCKPBOAVFK-GOSISDBHSA-N 1 1 453.583 4.901 20 0 JJADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cn3c4ccccc4nc3SC(F)F)cc2)C1 ZINC001464154814 1068635780 /nfs/dbraw/zinc/63/57/80/1068635780.db2.gz QHZVEBXBHQNZJL-QGZVFWFLSA-N 1 1 458.578 4.899 20 0 JJADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc4cncc(Br)c4n3)cc2)C1 ZINC001464154855 1068635816 /nfs/dbraw/zinc/63/58/16/1068635816.db2.gz QWJAGDNTFZZDKW-MRXNPFEDSA-N 1 1 453.384 4.554 20 0 JJADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)C1 ZINC001464157735 1068636942 /nfs/dbraw/zinc/63/69/42/1068636942.db2.gz YROJAPLHAZWHLO-GBXCKJPGSA-N 1 1 451.611 4.801 20 0 JJADMO CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H](Sc3ccccc3)c3ccccc3)cc2)CC1 ZINC001464158981 1068637595 /nfs/dbraw/zinc/63/75/95/1068637595.db2.gz KXSCFGHLKNXNIJ-MHZLTWQESA-N 1 1 459.659 4.974 20 0 JJADMO CCN1CC[NH+](Cc2ccc(CNC(=O)[C@H](Sc3ccccc3)c3ccccc3)cc2)CC1 ZINC001464158974 1068637699 /nfs/dbraw/zinc/63/76/99/1068637699.db2.gz KXSCFGHLKNXNIJ-HHHXNRCGSA-N 1 1 459.659 4.974 20 0 JJADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cnnn2-c2c(Cl)cccc2Cl)cc1 ZINC001464179649 1068644914 /nfs/dbraw/zinc/64/49/14/1068644914.db2.gz ZCSVXGHZRARXSM-MRXNPFEDSA-N 1 1 458.393 4.879 20 0 JJADMO C[C@H](CNC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl)[NH+]1CCN(c2ccccc2)CC1 ZINC001464191489 1068650211 /nfs/dbraw/zinc/65/02/11/1068650211.db2.gz BMHXXXGFAXQCLT-SJORKVTESA-N 1 1 452.451 4.801 20 0 JJADMO C[C@@H](CNC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[NH+]1CCN(c2ccccc2)CC1 ZINC001464192124 1068650875 /nfs/dbraw/zinc/65/08/75/1068650875.db2.gz CNSPWPYIVZPCRD-FQEVSTJZSA-N 1 1 451.655 4.928 20 0 JJADMO C[N@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1csc2ccccc12 ZINC001464201559 1068654916 /nfs/dbraw/zinc/65/49/16/1068654916.db2.gz YDWKFIZMKXCJPE-OAQYLSRUSA-N 1 1 453.608 4.543 20 0 JJADMO CC[NH+](CC)CCOc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1 ZINC001464203438 1068655520 /nfs/dbraw/zinc/65/55/20/1068655520.db2.gz CVVHRUOOZDJHTM-UHFFFAOYSA-N 1 1 457.372 4.812 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)C3(OCc4ccccc4)CCOCC3)cc2)C1 ZINC001464213985 1068660462 /nfs/dbraw/zinc/66/04/62/1068660462.db2.gz VBOWNZSEZDDJCO-ZRZAMGCNSA-N 1 1 450.623 4.547 20 0 JJADMO C[NH+](C)C[C@H](NS(=O)(=O)c1cccc2c(Cl)ccnc21)c1ccc(Cl)c(Cl)c1 ZINC001464221691 1068663662 /nfs/dbraw/zinc/66/36/62/1068663662.db2.gz YZHJWBQQWVVUIC-KRWDZBQOSA-N 1 1 458.798 4.776 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NS(=O)(=O)/C=C\c2ccc(C)cc2)cc1 ZINC001464225508 1068665023 /nfs/dbraw/zinc/66/50/23/1068665023.db2.gz DSSNNQNCCJGFCI-LIAODFIFSA-N 1 1 462.615 4.562 20 0 JJADMO CCCOc1cc(C)ccc1NC(=O)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001464311795 1068700739 /nfs/dbraw/zinc/70/07/39/1068700739.db2.gz KJNCJCKKTOFGEC-JOCHJYFZSA-N 1 1 455.599 4.748 20 0 JJADMO COc1cc([C@H](C)NC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OCc1ccccc1 ZINC001464329892 1068707855 /nfs/dbraw/zinc/70/78/55/1068707855.db2.gz ICTOOMDWJMCPIB-KKPNIWNPSA-N 1 1 454.611 4.585 20 0 JJADMO COc1cc([C@H](C)NC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OCc1ccccc1 ZINC001464329892 1068707863 /nfs/dbraw/zinc/70/78/63/1068707863.db2.gz ICTOOMDWJMCPIB-KKPNIWNPSA-N 1 1 454.611 4.585 20 0 JJADMO COc1cc([C@H](C)NC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1OCc1ccccc1 ZINC001464329890 1068707918 /nfs/dbraw/zinc/70/79/18/1068707918.db2.gz ICTOOMDWJMCPIB-JYEBCORGSA-N 1 1 454.611 4.585 20 0 JJADMO CCOc1ccc(-c2nc(C(=O)NC3CC[NH+](Cc4ccc(F)c(F)c4)CC3)cs2)cc1 ZINC001464331508 1068708998 /nfs/dbraw/zinc/70/89/98/1068708998.db2.gz VOIOAVLZPCWXDN-UHFFFAOYSA-N 1 1 457.546 4.881 20 0 JJADMO CCOC(=O)C1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001464373593 1068722156 /nfs/dbraw/zinc/72/21/56/1068722156.db2.gz IIFBNITVFUWPBP-OSMLLJOWSA-N 1 1 469.025 4.794 20 0 JJADMO Cc1nc(-c2ccc(S(=O)(=O)NCC3([N@@H+](C)Cc4ccccc4)CCCCC3)cc2)co1 ZINC001464440836 1068746555 /nfs/dbraw/zinc/74/65/55/1068746555.db2.gz PHKAVDTXSMWDEU-UHFFFAOYSA-N 1 1 453.608 4.763 20 0 JJADMO O=Cc1ccc(F)c(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)c(Cl)c2)c1 ZINC001464449575 1068750038 /nfs/dbraw/zinc/75/00/38/1068750038.db2.gz GTAJUPJDZFBXHM-UHFFFAOYSA-N 1 1 451.929 4.866 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001464450787 1068750738 /nfs/dbraw/zinc/75/07/38/1068750738.db2.gz XPPDAFZFMXJJEK-PKTZIBPZSA-N 1 1 478.077 4.869 20 0 JJADMO CC[N@@H+](C)Cc1cccc(CNC(=O)CNc2nc(C)nc3sc(-c4ccccc4)cc32)c1 ZINC001464460761 1068755016 /nfs/dbraw/zinc/75/50/16/1068755016.db2.gz IRLLPPUGMQQETL-UHFFFAOYSA-N 1 1 459.619 4.847 20 0 JJADMO CC(C)Cn1cc(C(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)c2ccccc21 ZINC001464476833 1068760014 /nfs/dbraw/zinc/76/00/14/1068760014.db2.gz KSTPEGHDUDDYHT-UHFFFAOYSA-N 1 1 453.030 4.893 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001464490251 1068764496 /nfs/dbraw/zinc/76/44/96/1068764496.db2.gz BAQGUCVPUBBKNQ-QHCPKHFHSA-N 1 1 457.659 4.803 20 0 JJADMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)C1 ZINC001464544247 1068777387 /nfs/dbraw/zinc/77/73/87/1068777387.db2.gz JOLZQBJUXMAKRE-MRXNPFEDSA-N 1 1 453.384 4.521 20 0 JJADMO C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)c2)C1 ZINC001464574152 1068787735 /nfs/dbraw/zinc/78/77/35/1068787735.db2.gz OGEVIHJNNMICDW-NZQKXSOJSA-N 1 1 459.631 4.663 20 0 JJADMO FC1(F)CO[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5cccs5)c43)C[C@H]21 ZINC001164426309 718929384 /nfs/dbraw/zinc/92/93/84/718929384.db2.gz ZNYYWCVEFIIOJB-CVEARBPZSA-N 1 1 462.591 4.876 20 0 JJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H](c4ccccc4)C(=O)N3CCOC)CC2)nc1 ZINC001164430492 718954673 /nfs/dbraw/zinc/95/46/73/718954673.db2.gz WGOKIACMLSLICQ-CLJLJLNGSA-N 1 1 476.665 4.630 20 0 JJADMO Clc1nc2c(ncn2Cc2ccccc2)c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164618502 719068101 /nfs/dbraw/zinc/06/81/01/719068101.db2.gz AXKZUKFFYKBCPN-VXKWHMMOSA-N 1 1 458.997 4.629 20 0 JJADMO CC(C)c1nccc([C@@H]2C[C@@H]3CCN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C[C@@H]3O2)n1 ZINC001164638325 719260965 /nfs/dbraw/zinc/26/09/65/719260965.db2.gz OLBBQUMAHMNDNX-CAVYSCNFSA-N 1 1 469.633 4.910 20 0 JJADMO c1sc([C@H]2C[C@H]3CN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C[C@H]3O2)nc1C1CC1 ZINC001164645066 719288402 /nfs/dbraw/zinc/28/84/02/719288402.db2.gz BGJQFYFGKUXVLC-FTBPSBKWSA-N 1 1 458.631 4.940 20 0 JJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(-c3ccc(Cl)s3)nc3c1CCC3)CC2 ZINC001164652189 719316391 /nfs/dbraw/zinc/31/63/91/719316391.db2.gz OXXZYIUNEUIZOJ-UHFFFAOYSA-N 1 1 457.047 4.749 20 0 JJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc(-c3ccc(N4CCCCC4)cc3)nn1)CC2 ZINC001164652913 719316860 /nfs/dbraw/zinc/31/68/60/719316860.db2.gz UBDCFLDBKBQZQZ-UHFFFAOYSA-N 1 1 459.642 4.536 20 0 JJADMO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)nc4c(Cl)cccc42)CC3)cc1 ZINC001164671097 719504241 /nfs/dbraw/zinc/50/42/41/719504241.db2.gz BJDMZAJHDQUFMQ-UHFFFAOYSA-N 1 1 461.368 4.947 20 0 JJADMO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)nc4c(Cl)cccc42)CC3)cc1 ZINC001164671097 719504251 /nfs/dbraw/zinc/50/42/51/719504251.db2.gz BJDMZAJHDQUFMQ-UHFFFAOYSA-N 1 1 461.368 4.947 20 0 JJADMO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ncnc4cc(Cl)c(Cl)cc42)CC3)cc1 ZINC001164673991 719518342 /nfs/dbraw/zinc/51/83/42/719518342.db2.gz XIEBINVIFQDMPD-UHFFFAOYSA-N 1 1 461.368 4.947 20 0 JJADMO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ncnc4cc(Cl)c(Cl)cc42)CC3)cc1 ZINC001164673991 719518345 /nfs/dbraw/zinc/51/83/45/719518345.db2.gz XIEBINVIFQDMPD-UHFFFAOYSA-N 1 1 461.368 4.947 20 0 JJADMO CC(C)n1ccc2c1nc(Cl)nc2N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164674021 719520054 /nfs/dbraw/zinc/52/00/54/719520054.db2.gz YZEIDLYOTCMZIO-UHFFFAOYSA-N 1 1 457.981 4.676 20 0 JJADMO CC(C)n1ccc2c1nc(Cl)nc2N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164674021 719520067 /nfs/dbraw/zinc/52/00/67/719520067.db2.gz YZEIDLYOTCMZIO-UHFFFAOYSA-N 1 1 457.981 4.676 20 0 JJADMO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(C(C)(C)c3ccnc(Cl)c3)CC2)c2ccccc21 ZINC001164685550 719684226 /nfs/dbraw/zinc/68/42/26/719684226.db2.gz LDZQXGOJZAIUCB-FQEVSTJZSA-N 1 1 469.073 4.559 20 0 JJADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(-c3ccccc3)nc(Cl)c1-c1ccccc1)CC2 ZINC001164683630 719717298 /nfs/dbraw/zinc/71/72/98/719717298.db2.gz BFPCFWNMNKCLRP-UHFFFAOYSA-N 1 1 476.024 4.645 20 0 JJADMO CC(C)Oc1ncnc2c1CCN(c1nc(C[NH+](C)C)nc3scc(-c4ccccc4)c31)CC2 ZINC001164694281 719792325 /nfs/dbraw/zinc/79/23/25/719792325.db2.gz FFPWVZKNLQVCOH-UHFFFAOYSA-N 1 1 474.634 4.602 20 0 JJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(C(=O)N4CCCCC4)cc(Cl)n2)CC3)cs1 ZINC001164691209 719805591 /nfs/dbraw/zinc/80/55/91/719805591.db2.gz FXQLXQLTRPEGJS-UHFFFAOYSA-N 1 1 474.074 4.761 20 0 JJADMO CCOc1cc2ncnc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)c2cc1OCC ZINC001164693699 719809116 /nfs/dbraw/zinc/80/91/16/719809116.db2.gz QWMFSSSCPDSMRD-UHFFFAOYSA-N 1 1 467.639 4.827 20 0 JJADMO CCOC(=O)c1cc2c(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)[nH]c(C)c(C)c-2n1 ZINC001164694341 719810304 /nfs/dbraw/zinc/81/03/04/719810304.db2.gz VIBVHKKLUWZLET-UHFFFAOYSA-N 1 1 467.639 4.756 20 0 JJADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2cnc4c(Cl)ncnc4c2)CC3)cs1 ZINC001164691304 719812865 /nfs/dbraw/zinc/81/28/65/719812865.db2.gz FGFAAKPMXWDHNO-UHFFFAOYSA-N 1 1 464.973 4.623 20 0 JJADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2cnc4c(Cl)ncnc4c2)CC3)cs1 ZINC001164691304 719812866 /nfs/dbraw/zinc/81/28/66/719812866.db2.gz FGFAAKPMXWDHNO-UHFFFAOYSA-N 1 1 464.973 4.623 20 0 JJADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2c4c(nnc2Cl)CCC4)CC3)cs1 ZINC001164691318 719813952 /nfs/dbraw/zinc/81/39/52/719813952.db2.gz FWZAQLNFGFYDOY-UHFFFAOYSA-N 1 1 453.990 4.564 20 0 JJADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2c4c(nnc2Cl)CCC4)CC3)cs1 ZINC001164691318 719813954 /nfs/dbraw/zinc/81/39/54/719813954.db2.gz FWZAQLNFGFYDOY-UHFFFAOYSA-N 1 1 453.990 4.564 20 0 JJADMO COC[C@H]1CN(c2nc(C[NH+]3CCCCC3)nc3scc(-c4ccccc4)c32)Cc2cn(C)nc21 ZINC001164696858 719832274 /nfs/dbraw/zinc/83/22/74/719832274.db2.gz VPNXAJVVIBVZTN-OAQYLSRUSA-N 1 1 488.661 4.828 20 0 JJADMO COC[C@@H]1CN(c2nc(C[NH+]3CCCCC3)nc3scc(-c4cccs4)c32)Cc2cn(C)nc21 ZINC001164695771 719832650 /nfs/dbraw/zinc/83/26/50/719832650.db2.gz OMBDMSACGREMOV-SFHVURJKSA-N 1 1 494.690 4.889 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)n1 ZINC001164697876 719836465 /nfs/dbraw/zinc/83/64/65/719836465.db2.gz ZDTWCFNZIDKDAH-UHFFFAOYSA-N 1 1 493.677 4.552 20 0 JJADMO Fc1cccc2c(Cl)nc(C(F)(F)N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nc12 ZINC001164694863 719888909 /nfs/dbraw/zinc/88/89/09/719888909.db2.gz FTOMGBWYJKBVMY-UHFFFAOYSA-N 1 1 482.959 4.900 20 0 JJADMO O=C(NCc1ccccc1)c1cc(Cl)nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164695675 719889010 /nfs/dbraw/zinc/88/90/10/719889010.db2.gz QLTCADGRBIUDAY-UHFFFAOYSA-N 1 1 497.064 4.598 20 0 JJADMO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164697013 719892734 /nfs/dbraw/zinc/89/27/34/719892734.db2.gz IWJGDZRVJBTIOW-UHFFFAOYSA-N 1 1 452.958 4.694 20 0 JJADMO Fc1ccc(Cn2ccc3c2ncnc3N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cc1 ZINC001164696198 719893800 /nfs/dbraw/zinc/89/38/00/719893800.db2.gz BIWYTJDQTOCTEP-UHFFFAOYSA-N 1 1 477.609 4.552 20 0 JJADMO FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164699286 719894178 /nfs/dbraw/zinc/89/41/78/719894178.db2.gz YWPPBGAVPWMNNE-UHFFFAOYSA-N 1 1 464.969 4.761 20 0 JJADMO COC(=O)c1ccc(-c2ccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nc2C)cc1 ZINC001164696217 719896717 /nfs/dbraw/zinc/89/67/17/719896717.db2.gz CJNHUKQLEHAQFC-UHFFFAOYSA-N 1 1 477.630 4.777 20 0 JJADMO c1csc(C[N@H+]2CCOC3(CCN(c4nc5ccccc5nc4N4CCCCC4)CC3)C2)c1 ZINC001164696165 719897429 /nfs/dbraw/zinc/89/74/29/719897429.db2.gz ADZKAMBTHLTJPT-UHFFFAOYSA-N 1 1 463.651 4.553 20 0 JJADMO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164707076 719899639 /nfs/dbraw/zinc/89/96/39/719899639.db2.gz NBTGOPNZXSWDCG-UHFFFAOYSA-N 1 1 491.995 4.670 20 0 JJADMO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164705471 719901026 /nfs/dbraw/zinc/90/10/26/719901026.db2.gz BZZYCNSFGBUNPI-QHCPKHFHSA-N 1 1 489.016 4.857 20 0 JJADMO COc1ccc(Cc2c(C)nc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nc2C)cc1 ZINC001164707360 719902901 /nfs/dbraw/zinc/90/29/01/719902901.db2.gz QHTUPOVETUXIBR-UHFFFAOYSA-N 1 1 478.662 4.626 20 0 JJADMO c1csc(C[N@H+]2CCOC3(CCN(c4nc(-c5ccncc5)nc5sccc54)CC3)C2)c1 ZINC001164707282 719904191 /nfs/dbraw/zinc/90/41/91/719904191.db2.gz OCLPQXSGDVMXHJ-UHFFFAOYSA-N 1 1 463.632 4.686 20 0 JJADMO c1csc(C[N@H+]2CCOC3(CCN(c4ccnc(CSc5ccccc5)n4)CC3)C2)c1 ZINC001164707925 719907956 /nfs/dbraw/zinc/90/79/56/719907956.db2.gz ZMMHQTJCFCEBTI-UHFFFAOYSA-N 1 1 452.649 4.702 20 0 JJADMO FC(F)(c1cc(Cl)nc2c1CCC2)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164707285 719909953 /nfs/dbraw/zinc/90/99/53/719909953.db2.gz OIZUKYPQSMTMRM-UHFFFAOYSA-N 1 1 453.986 4.702 20 0 JJADMO FC(F)(N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2)C1(c2ccnc(Cl)c2)CC1 ZINC001164706333 719910610 /nfs/dbraw/zinc/91/06/10/719910610.db2.gz HYNLNGPQMZXYFN-UHFFFAOYSA-N 1 1 453.986 4.788 20 0 JJADMO COc1cccc(NC(=O)c2nc3c(s2)CC[N@H+](C(C)(C)c2ccnc(Cl)c2)CC3)c1 ZINC001164709186 720088511 /nfs/dbraw/zinc/08/85/11/720088511.db2.gz CBCVCJKIYUFVOO-UHFFFAOYSA-N 1 1 456.999 4.788 20 0 JJADMO CC(C)n1nc(CN(c2nccs2)c2ccc3c(n2)CCN(Cc2ccccc2)C3)c2c1C[NH2+]CC2 ZINC001164711489 720091954 /nfs/dbraw/zinc/09/19/54/720091954.db2.gz PWQUAOXHTMEZOM-UHFFFAOYSA-N 1 1 499.688 4.858 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3ccc(Cl)cc3nc1Cl)CC2 ZINC001164719682 720110702 /nfs/dbraw/zinc/11/07/02/720110702.db2.gz ZYJKARZMYFKIQK-LJQANCHMSA-N 1 1 472.420 4.839 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cnc(-c3ccccc3)c(-c3ccccc3)n1)C2 ZINC001164811146 720111321 /nfs/dbraw/zinc/11/13/21/720111321.db2.gz LTRAUUMGGJNBHA-IRPSRAIASA-N 1 1 454.618 4.995 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3sc4c(c31)CC[C@H](C)C4)CC2 ZINC001164719007 720116200 /nfs/dbraw/zinc/11/62/00/720116200.db2.gz URGBGCVTTLQSOT-PZJWPPBQSA-N 1 1 477.678 4.719 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)CC2 ZINC001164714935 720125585 /nfs/dbraw/zinc/12/55/85/720125585.db2.gz FRVLQRRCCWMFHG-FQEVSTJZSA-N 1 1 487.044 4.593 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3[nH]c4ccc(Cl)cc4c31)CC2 ZINC001164711214 720136427 /nfs/dbraw/zinc/13/64/27/720136427.db2.gz GDBZBNHHKLUDEC-HXUWFJFHSA-N 1 1 477.012 4.667 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3c(-c4ccccc4)nsc31)CC2 ZINC001164714651 720143431 /nfs/dbraw/zinc/14/34/31/720143431.db2.gz XURUSQMSKWFMMR-QFIPXVFZSA-N 1 1 486.645 4.656 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3c(Cl)ccc(F)c3n1)CC2 ZINC001164710433 720152615 /nfs/dbraw/zinc/15/26/15/720152615.db2.gz BLAXFDOAPLWNIK-LJQANCHMSA-N 1 1 454.977 4.930 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cnc(Cl)nc1Oc1ccccc1F)CC2 ZINC001164710822 720154323 /nfs/dbraw/zinc/15/43/23/720154323.db2.gz DHJVBOXIBYNPKP-FQEVSTJZSA-N 1 1 498.002 4.964 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cncc(OCc3cccc(Cl)c3)n1)CC2 ZINC001164713125 720154624 /nfs/dbraw/zinc/15/46/24/720154624.db2.gz REABULPFKPBVDA-DEOSSOPVSA-N 1 1 494.039 4.612 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C)nc3scc(-c4cccs4)c31)C2 ZINC001164816901 720170919 /nfs/dbraw/zinc/17/09/19/720170919.db2.gz NPVLIRRFZFHHCF-KOSHJBKYSA-N 1 1 454.665 4.913 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)C2 ZINC001164815631 720172879 /nfs/dbraw/zinc/17/28/79/720172879.db2.gz IQBSBPMVPMBWFW-CVDCTZTESA-N 1 1 462.972 4.527 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)C2 ZINC001164814418 720187385 /nfs/dbraw/zinc/18/73/85/720187385.db2.gz GFRMWBOOCGQMDV-OFNKIYASSA-N 1 1 462.972 4.527 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)C2 ZINC001164818723 720188381 /nfs/dbraw/zinc/18/83/81/720188381.db2.gz UIOMGTIVBNYJHB-OFNKIYASSA-N 1 1 462.972 4.527 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C)c(Cc3ccc(Cl)cc3)c(C)n1)C2 ZINC001164818738 720193462 /nfs/dbraw/zinc/19/34/62/720193462.db2.gz ULFOBBGBLMNEJI-GJZUVCINSA-N 1 1 455.046 4.522 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1ccc(Cl)cc1)C2 ZINC001164810179 720197545 /nfs/dbraw/zinc/19/75/45/720197545.db2.gz ABGXMEYLQQXBBO-UZUQRXQVSA-N 1 1 463.409 4.760 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccc(Cl)cc1)C2 ZINC001164810177 720198077 /nfs/dbraw/zinc/19/80/77/720198077.db2.gz ABGXMEYLQQXBBO-SBUREZEXSA-N 1 1 463.409 4.760 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccc(Cl)cc1)C2 ZINC001164810176 720198257 /nfs/dbraw/zinc/19/82/57/720198257.db2.gz ABGXMEYLQQXBBO-HXOBKFHXSA-N 1 1 463.409 4.760 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3ccccc3OC)nnc1Cl)C2 ZINC001164814624 720203399 /nfs/dbraw/zinc/20/33/99/720203399.db2.gz VLJSKRQWZNGKHM-UUOWRZLLSA-N 1 1 492.998 4.535 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)C2 ZINC001164810321 720204688 /nfs/dbraw/zinc/20/46/88/720204688.db2.gz CBRRUDYELJCJBR-GCJKJVERSA-N 1 1 451.945 4.725 20 0 JJADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(-c3ccccc3)nc3cc(Cl)ccc31)CCC2 ZINC001164812619 720227087 /nfs/dbraw/zinc/22/70/87/720227087.db2.gz HNLWSQZZDNMRGF-UHFFFAOYSA-N 1 1 489.023 4.757 20 0 JJADMO COc1ccc2c(c1)nc(N1CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C1)cc2-c1ccccc1 ZINC001164813937 720236809 /nfs/dbraw/zinc/23/68/09/720236809.db2.gz SGMLLAJHZXIFFX-UHFFFAOYSA-N 1 1 483.616 4.718 20 0 JJADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCC[C@@]5(CCN(CC6CC6)C5=O)C3)n2)CCC4)CC1 ZINC001164816991 720281770 /nfs/dbraw/zinc/28/17/70/720281770.db2.gz ATPZTISXVOBWBG-MUUNZHRXSA-N 1 1 493.721 4.641 20 0 JJADMO Cc1nc(CO[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)[C@H]3CCCO[C@@H]23)cs1 ZINC001164825007 720391421 /nfs/dbraw/zinc/39/14/21/720391421.db2.gz TVFYKIVICDEACB-MIZPHKNDSA-N 1 1 499.706 4.622 20 0 JJADMO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164729793 720392002 /nfs/dbraw/zinc/39/20/02/720392002.db2.gz WKMWJUQPGSGZCK-SJORKVTESA-N 1 1 450.320 4.730 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](OCc3csc(C)n3)[C@H]3OCCC[C@@H]32)nc1 ZINC001164824427 720392953 /nfs/dbraw/zinc/39/29/53/720392953.db2.gz RPCHXRWWYLDCRS-FVEXOFTDSA-N 1 1 456.656 4.737 20 0 JJADMO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)O2)n1 ZINC001164827553 720408736 /nfs/dbraw/zinc/40/87/36/720408736.db2.gz FZUVWVFMNHXIAO-AQNXPRMDSA-N 1 1 494.665 4.746 20 0 JJADMO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CC[C@@H](C)C5)O2)n1 ZINC001164830984 720408849 /nfs/dbraw/zinc/40/88/49/720408849.db2.gz SVHFSYIPWLVDBU-XLNTUCKNSA-N 1 1 494.665 4.602 20 0 JJADMO Cc1sc2nc(CN3CCCCC3)nc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164732425 720440188 /nfs/dbraw/zinc/44/01/88/720440188.db2.gz NHMOEJSFVWQWNN-VXKWHMMOSA-N 1 1 462.667 4.542 20 0 JJADMO Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164730562 720484623 /nfs/dbraw/zinc/48/46/23/720484623.db2.gz UDNVYGKVWVEBGU-YADHBBJMSA-N 1 1 455.940 4.899 20 0 JJADMO Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164730562 720484628 /nfs/dbraw/zinc/48/46/28/720484628.db2.gz UDNVYGKVWVEBGU-YADHBBJMSA-N 1 1 455.940 4.899 20 0 JJADMO Fc1ccccc1-c1cc(C(F)(F)N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c(Cl)nn1 ZINC001164725306 720485565 /nfs/dbraw/zinc/48/55/65/720485565.db2.gz JLZQJFMQVWNLMR-LEWJYISDSA-N 1 1 459.903 4.729 20 0 JJADMO Fc1ccccc1-c1cc(C(F)(F)N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c(Cl)nn1 ZINC001164725306 720485574 /nfs/dbraw/zinc/48/55/74/720485574.db2.gz JLZQJFMQVWNLMR-LEWJYISDSA-N 1 1 459.903 4.729 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@@]3(C[C@@H](CNc4cccc(F)c4)CO3)C2)nc1 ZINC001164725776 720496187 /nfs/dbraw/zinc/49/61/87/720496187.db2.gz KDZVELVOFGFTBO-QBMXVRPASA-N 1 1 482.644 4.882 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)CC[C@@H]21 ZINC001164833271 720521567 /nfs/dbraw/zinc/52/15/67/720521567.db2.gz CPBYNKUZGCEFKV-BXWFABGCSA-N 1 1 478.950 4.542 20 0 JJADMO CSc1ccc(Oc2cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)ncn2)cc1 ZINC001164835178 720586678 /nfs/dbraw/zinc/58/66/78/720586678.db2.gz AHHMWKRCVTUKHZ-ZRCGQRJVSA-N 1 1 464.639 4.565 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)CC[C@@H]21 ZINC001164839210 720605264 /nfs/dbraw/zinc/60/52/64/720605264.db2.gz MFIBBNQCZLSFJU-FUDKSRODSA-N 1 1 499.688 4.816 20 0 JJADMO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164843253 720606090 /nfs/dbraw/zinc/60/60/90/720606090.db2.gz XAYGBVJBVLGZBO-YTFSRNRJSA-N 1 1 495.741 4.724 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cnc(Cl)nc3Oc3ccc(F)cc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835978 720610614 /nfs/dbraw/zinc/61/06/14/720610614.db2.gz DGVPEXIMAQAJBD-SLYNCCJLSA-N 1 1 470.980 4.636 20 0 JJADMO COc1cccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)n2)c1 ZINC001164836578 720623045 /nfs/dbraw/zinc/62/30/45/720623045.db2.gz FUSROWKLSCJDJQ-QHWMMSMNSA-N 1 1 482.632 4.880 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)CC[C@@H]21 ZINC001164835165 720623627 /nfs/dbraw/zinc/62/36/27/720623627.db2.gz AFIDTIZHCIXJQH-RRPUWOKSSA-N 1 1 486.998 4.916 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(C(F)F)nc4ccc(Cl)cc43)CC[C@@H]21 ZINC001164837335 720633709 /nfs/dbraw/zinc/63/37/09/720633709.db2.gz IAYFQNYOBHAZPR-SYNHAJSKSA-N 1 1 460.960 4.795 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(C(F)F)nc4ccc(Cl)cc43)CC[C@@H]21 ZINC001164837329 720634224 /nfs/dbraw/zinc/63/42/24/720634224.db2.gz IAYFQNYOBHAZPR-KNBMTAEXSA-N 1 1 460.960 4.795 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cnc(Cl)nc3Oc3cccc(F)c3)CC[C@@H]21 ZINC001164838281 720642043 /nfs/dbraw/zinc/64/20/43/720642043.db2.gz KOWCUDXEJCALIN-CUWPLCDZSA-N 1 1 470.980 4.636 20 0 JJADMO COc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc1 ZINC001164840454 720642169 /nfs/dbraw/zinc/64/21/69/720642169.db2.gz MPUNEOIEVQIQDJ-CNNODRBYSA-N 1 1 483.016 4.505 20 0 JJADMO COc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164841964 720642968 /nfs/dbraw/zinc/64/29/68/720642968.db2.gz RGRSTOHZTQGOKY-NNMXDRDESA-N 1 1 483.016 4.505 20 0 JJADMO CCOC(=O)c1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc2ccccc21 ZINC001164844917 720688937 /nfs/dbraw/zinc/68/89/37/720688937.db2.gz WHUDDYYFBJIIHT-QFIPXVFZSA-N 1 1 459.590 4.671 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3c1ccn3Cc1ccccc1)CC2 ZINC001164841281 720694234 /nfs/dbraw/zinc/69/42/34/720694234.db2.gz IRSBAWAFTCYUEA-VWLOTQADSA-N 1 1 467.617 4.740 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(NC(=O)OC(C)(C)C)cn1)CC2 ZINC001164839560 720708653 /nfs/dbraw/zinc/70/86/53/720708653.db2.gz LUCLJDAITPTYSJ-JOCHJYFZSA-N 1 1 452.599 4.689 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(-c3cccnc3)nc3ccccc31)CC2 ZINC001164839012 720711827 /nfs/dbraw/zinc/71/18/27/720711827.db2.gz KHBMYRJIYJUVEP-DEOSSOPVSA-N 1 1 465.601 4.952 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc(-c3ccccn3)n1)CC2 ZINC001164836498 720716733 /nfs/dbraw/zinc/71/67/33/720716733.db2.gz BNGNZTQTCDOXSS-HXUWFJFHSA-N 1 1 499.993 4.997 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)COC(=O)Nc1ccc(Cl)nc1)CC2 ZINC001164840324 720728448 /nfs/dbraw/zinc/72/84/48/720728448.db2.gz PEEPJKMXYRACQP-FQEVSTJZSA-N 1 1 494.970 4.632 20 0 JJADMO CC[C@@H]1N(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CC[C@@H](C)C4)CCC[C@]12CCC(=O)N2 ZINC001164850482 720755472 /nfs/dbraw/zinc/75/54/72/720755472.db2.gz XALGPKNFSIXGSD-AIFCEMJISA-N 1 1 481.710 4.830 20 0 JJADMO CC[C@@H]1N(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)CCC[C@]12CCC(=O)N2 ZINC001164846851 720755744 /nfs/dbraw/zinc/75/57/44/720755744.db2.gz KHBJKRMVUPVDSE-FNZWTVRRSA-N 1 1 467.683 4.584 20 0 JJADMO Cc1cccc(CN2CC[C@@]3(CCN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C3)C2=O)c1 ZINC001164854170 720806980 /nfs/dbraw/zinc/80/69/80/720806980.db2.gz UCUMGUMKZMGKCE-PMERELPUSA-N 1 1 466.629 4.577 20 0 JJADMO c1ncn(C[C@H]2C[C@@H]3CN(c4nc(-c5ccccc5)cc(-c5ccccc5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164741492 720820059 /nfs/dbraw/zinc/82/00/59/720820059.db2.gz NVUWWCXQDRCFGQ-WWPJHQMMSA-N 1 1 491.643 4.782 20 0 JJADMO COC[C@]12CCCO[C@H]1CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164852170 720827529 /nfs/dbraw/zinc/82/75/29/720827529.db2.gz ZKWINCDLFIZVNN-HFZDXXHNSA-N 1 1 470.683 4.578 20 0 JJADMO COC[C@]12CCCO[C@@H]1CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164852172 720827837 /nfs/dbraw/zinc/82/78/37/720827837.db2.gz ZKWINCDLFIZVNN-QFQXNSOFSA-N 1 1 470.683 4.578 20 0 JJADMO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742463 720845064 /nfs/dbraw/zinc/84/50/64/720845064.db2.gz GQJUUSSFIWCYPU-CKEIUWERSA-N 1 1 491.801 4.558 20 0 JJADMO COc1ccc2c(c1)nc(N1CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C1)cc2-c1ccccc1 ZINC001164740523 720847829 /nfs/dbraw/zinc/84/78/29/720847829.db2.gz CFJSUEBFZFXEPT-NDDXJGTKSA-N 1 1 494.643 4.881 20 0 JJADMO c1csc(-c2nc(-c3ccccc3)cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)c1 ZINC001164753085 720851745 /nfs/dbraw/zinc/85/17/45/720851745.db2.gz WIGGRJSFVGZRIB-JBRSBNLGSA-N 1 1 497.672 4.843 20 0 JJADMO Cc1nc([C@H]2COCCN2c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)cs1 ZINC001164753016 720864597 /nfs/dbraw/zinc/86/45/97/720864597.db2.gz VBIDZXXHOXGBKA-GOSISDBHSA-N 1 1 455.653 4.509 20 0 JJADMO CC(C)c1cc2c(ncnc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)s1 ZINC001164754372 720869011 /nfs/dbraw/zinc/86/90/11/720869011.db2.gz RMKLMEOOXBIARB-CUNXSJBXSA-N 1 1 477.678 4.965 20 0 JJADMO Clc1cc(-c2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2)ccn1 ZINC001164752467 720880137 /nfs/dbraw/zinc/88/01/37/720880137.db2.gz NBDZKCMYWDOFOY-LSYYVWMOSA-N 1 1 490.051 4.947 20 0 JJADMO Cc1cccc2c1nc(Cl)nc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754436 720883049 /nfs/dbraw/zinc/88/30/49/720883049.db2.gz IWBTZJRZVZZSHZ-WXVAWEFUSA-N 1 1 478.040 4.742 20 0 JJADMO Fc1cc2nc(Cl)c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2cc1F ZINC001164757824 720884730 /nfs/dbraw/zinc/88/47/30/720884730.db2.gz VTSRABNHPMKMGM-NIYFSFCBSA-N 1 1 499.993 4.712 20 0 JJADMO Fc1cccc2c1nc(Cl)nc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758791 720886222 /nfs/dbraw/zinc/88/62/22/720886222.db2.gz ZMMBKYORSBJLKI-IBVKSMDESA-N 1 1 482.003 4.572 20 0 JJADMO Fc1cc(C(F)(F)N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cnc1Cl ZINC001164756826 720886876 /nfs/dbraw/zinc/88/68/76/720886876.db2.gz RFGNJTZADZSSRI-REWPJTCUSA-N 1 1 480.962 4.569 20 0 JJADMO Cc1sc2nc(C)nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1C ZINC001164750611 720888485 /nfs/dbraw/zinc/88/84/85/720888485.db2.gz BKIDDVRHBKPYBB-YIXXDRMTSA-N 1 1 477.678 4.767 20 0 JJADMO Cc1cc(Cl)ncc1C(F)(F)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757204 720890329 /nfs/dbraw/zinc/89/03/29/720890329.db2.gz UIUTWJIVLVYXIM-URXFXBBRSA-N 1 1 476.999 4.738 20 0 JJADMO Clc1cccc(-c2cccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)n1 ZINC001164749852 720890515 /nfs/dbraw/zinc/89/05/15/720890515.db2.gz ASXZXZNKQRHKQZ-LXFBAYGMSA-N 1 1 490.051 4.947 20 0 JJADMO Cc1ccc(C(F)(F)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1Cl ZINC001164755030 720892412 /nfs/dbraw/zinc/89/24/12/720892412.db2.gz KJOGDUGLVIAXCI-ZJSXRUAMSA-N 1 1 476.999 4.738 20 0 JJADMO Cc1ccc(C(F)(F)N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1Cl ZINC001164755026 720892776 /nfs/dbraw/zinc/89/27/76/720892776.db2.gz KJOGDUGLVIAXCI-URXFXBBRSA-N 1 1 476.999 4.738 20 0 JJADMO Cc1cc(Cl)nc(C(F)(F)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164749809 720895302 /nfs/dbraw/zinc/89/53/02/720895302.db2.gz AQRAJWDUGYPLKT-ZJSXRUAMSA-N 1 1 476.999 4.738 20 0 JJADMO Cc1ccc(Cl)nc1C(F)(F)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752555 720896639 /nfs/dbraw/zinc/89/66/39/720896639.db2.gz FDARFBKCNOQUPD-XUZZJYLKSA-N 1 1 476.999 4.738 20 0 JJADMO Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752551 720896873 /nfs/dbraw/zinc/89/68/73/720896873.db2.gz FDARFBKCNOQUPD-QPPBQGQZSA-N 1 1 476.999 4.738 20 0 JJADMO Cc1cccc2nc(Cl)nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164755642 720899300 /nfs/dbraw/zinc/89/93/00/720899300.db2.gz MHDJPBIWBUYEJJ-WXVAWEFUSA-N 1 1 478.040 4.742 20 0 JJADMO CC(C)(C)c1cc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755423 720903512 /nfs/dbraw/zinc/90/35/12/720903512.db2.gz MATNVNZNQGWEPT-HFZDXXHNSA-N 1 1 470.061 4.578 20 0 JJADMO CC(C)(C)c1cc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755425 720904194 /nfs/dbraw/zinc/90/41/94/720904194.db2.gz MATNVNZNQGWEPT-QFQXNSOFSA-N 1 1 470.061 4.578 20 0 JJADMO CC(C)n1ccc2c1nc(Cl)nc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751539 720906022 /nfs/dbraw/zinc/90/60/22/720906022.db2.gz MRQONGGIIRIPFI-CUNXSJBXSA-N 1 1 495.071 4.816 20 0 JJADMO CSc1cc(Cl)cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754236 720906034 /nfs/dbraw/zinc/90/60/34/720906034.db2.gz VBCSCGVSQSSGGY-GBXCKJPGSA-N 1 1 459.059 4.607 20 0 JJADMO Cc1c[nH]c2nc(Cl)cc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164754664 720906751 /nfs/dbraw/zinc/90/67/51/720906751.db2.gz WWCJPVUVIFFCKJ-LVXARBLLSA-N 1 1 466.029 4.675 20 0 JJADMO Cc1ccc(-c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)cc1 ZINC001164746519 720908249 /nfs/dbraw/zinc/90/82/49/720908249.db2.gz BGZAYQOTFREOFB-UHSQPCAPSA-N 1 1 469.633 4.602 20 0 JJADMO c1ccc(COc2cccnc2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc1 ZINC001164752920 720908305 /nfs/dbraw/zinc/90/83/05/720908305.db2.gz PKCYUOLOBQFUOT-OFSOJUDTSA-N 1 1 484.644 4.811 20 0 JJADMO Cc1ccc(C)c(-c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)c1 ZINC001164749132 720916328 /nfs/dbraw/zinc/91/63/28/720916328.db2.gz HWVLUGKFZHARLR-VIZCGCQYSA-N 1 1 483.660 4.911 20 0 JJADMO Cc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(-c2cccs2)n1 ZINC001164748561 720921554 /nfs/dbraw/zinc/92/15/54/720921554.db2.gz GYCRJHMCLHUHRV-HOFKKMOUSA-N 1 1 475.662 4.664 20 0 JJADMO Fc1cccc(F)c1-c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164753751 720921673 /nfs/dbraw/zinc/92/16/73/720921673.db2.gz SMMNCTFIPBUMJA-DFHRPNOPSA-N 1 1 491.586 4.572 20 0 JJADMO Cc1cc(-c2ccccc2F)nnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755169 720933503 /nfs/dbraw/zinc/93/35/03/720933503.db2.gz ZHOBSEUNZAJXPT-FUFSCUOVSA-N 1 1 487.623 4.741 20 0 JJADMO Fc1ccc2c(Cl)ncnc2c1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754194 720938348 /nfs/dbraw/zinc/93/83/48/720938348.db2.gz UGHQHWDBGFJGDX-RXFWQSSRSA-N 1 1 482.003 4.572 20 0 JJADMO CC(C)(c1ccnc(Cl)c1)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754657 720938646 /nfs/dbraw/zinc/93/86/46/720938646.db2.gz WUDLPVWAPZLKEX-OZXSUGGESA-N 1 1 455.046 4.616 20 0 JJADMO CC[C@H](C)c1nc2[nH]ccc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164749956 720940194 /nfs/dbraw/zinc/94/01/94/720940194.db2.gz IOJJOSJCTNTSEP-PYHHMDQSSA-N 1 1 474.653 4.622 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)[C@@H]2C ZINC001164860639 720957389 /nfs/dbraw/zinc/95/73/89/720957389.db2.gz QPXPWHHSJAYMCC-CYBMUJFWSA-N 1 1 452.912 4.585 20 0 JJADMO CC(C)CN1[C@@H]2CC[N@@H+](C(C)(C)c3ccnc(Cl)c3)CC[C@H]2Oc2ccccc2S1(=O)=O ZINC001164755538 720972107 /nfs/dbraw/zinc/97/21/07/720972107.db2.gz AEVWROMGBUEYDN-WOJBJXKFSA-N 1 1 478.058 4.542 20 0 JJADMO CC(C)CN1[C@@H]2CC[N@H+](C(C)(C)c3ccnc(Cl)c3)CC[C@H]2Oc2ccccc2S1(=O)=O ZINC001164755538 720972112 /nfs/dbraw/zinc/97/21/12/720972112.db2.gz AEVWROMGBUEYDN-WOJBJXKFSA-N 1 1 478.058 4.542 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3Cc4cncn4C[C@@H](COCC4CC4)C3)c2c1C ZINC001164758124 720981038 /nfs/dbraw/zinc/98/10/38/720981038.db2.gz UCLDTNHJXYZCIL-NRFANRHFSA-N 1 1 480.682 4.554 20 0 JJADMO Cc1sc2nc(CN3CCCC3)nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c2c1C ZINC001164862649 721003826 /nfs/dbraw/zinc/00/38/26/721003826.db2.gz UBBLJENOXBJADP-GOSISDBHSA-N 1 1 467.687 4.522 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)[C@@H]2C ZINC001164864174 721005560 /nfs/dbraw/zinc/00/55/60/721005560.db2.gz YRVSRALCNBAQOT-MRXNPFEDSA-N 1 1 460.960 4.960 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(-c3ccco3)nnc1Cl)[C@@H]2C ZINC001164861236 721005648 /nfs/dbraw/zinc/00/56/48/721005648.db2.gz PUPPMKVUXLPMAP-CQSZACIVSA-N 1 1 450.921 4.553 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)[C@H]2C ZINC001164858027 721014038 /nfs/dbraw/zinc/01/40/38/721014038.db2.gz FIETWGMYNLVAJS-INIZCTEOSA-N 1 1 460.960 4.960 20 0 JJADMO COc1ccc(-c2cc(C(F)(F)N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)c(Cl)nn2)cc1 ZINC001164861729 721022896 /nfs/dbraw/zinc/02/28/96/721022896.db2.gz PHJORZOFHMHDMY-MRXNPFEDSA-N 1 1 490.986 4.968 20 0 JJADMO Fc1ccc(-c2nc3ccc(Cl)cc3c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164867384 721067333 /nfs/dbraw/zinc/06/73/33/721067333.db2.gz IRIAXSLYVUMIRG-DHIUTWEWSA-N 1 1 489.982 4.964 20 0 JJADMO Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164865429 721090337 /nfs/dbraw/zinc/09/03/37/721090337.db2.gz LHAVSQPDGDGGOR-RPBOFIJWSA-N 1 1 499.018 4.734 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccc(-c5ccnc(Cl)c5)cc4)C[C@H]3C2)cn1 ZINC001164769461 721097213 /nfs/dbraw/zinc/09/72/13/721097213.db2.gz ORECQLRQYWQGEV-LEWJYISDSA-N 1 1 457.956 4.639 20 0 JJADMO Clc1nc2sc(-c3ccccc3)cc2c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867232 721119525 /nfs/dbraw/zinc/11/95/25/721119525.db2.gz XEMDSIKANXKKJX-UXHICEINSA-N 1 1 478.021 4.886 20 0 JJADMO c1cncc(CO[C@H]2C[C@@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCCC6)CC[N@H+]3C2)c1 ZINC001164870316 721137875 /nfs/dbraw/zinc/13/78/75/721137875.db2.gz CMJSOEXTSWGZCW-YADHBBJMSA-N 1 1 498.656 4.507 20 0 JJADMO c1cncc(CO[C@@H]2C[C@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCCC6)CC[N@H+]3C2)c1 ZINC001164870309 721138407 /nfs/dbraw/zinc/13/84/07/721138407.db2.gz CMJSOEXTSWGZCW-FCHUYYIVSA-N 1 1 498.656 4.507 20 0 JJADMO Clc1ccc2nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc(-c3ccccc3)c2c1 ZINC001164878599 721139558 /nfs/dbraw/zinc/13/95/58/721139558.db2.gz QOMRZIMFQIYSEN-DHIUTWEWSA-N 1 1 471.992 4.825 20 0 JJADMO Cc1nc2scc(-c3cccs3)c2c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164874540 721144092 /nfs/dbraw/zinc/14/40/92/721144092.db2.gz KNLWMCRZMSGKCL-RTBURBONSA-N 1 1 463.632 4.603 20 0 JJADMO Cc1sc2ncnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1-c1ccccc1 ZINC001164876493 721145647 /nfs/dbraw/zinc/14/56/47/721145647.db2.gz MTPFKEVCVDNIOP-FCHUYYIVSA-N 1 1 457.603 4.541 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc5cc(OCc6ccccc6)ccc5n4)C[C@@H]3C2)cn1 ZINC001164769077 721156004 /nfs/dbraw/zinc/15/60/04/721156004.db2.gz PHYMBTHHVFFANH-RPBOFIJWSA-N 1 1 453.590 4.506 20 0 JJADMO c1ccc(-c2ccc(-c3ccc(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)nn3)cc2)cc1 ZINC001164876365 721162251 /nfs/dbraw/zinc/16/22/51/721162251.db2.gz LVUDVJZOHIXLLY-KAYWLYCHSA-N 1 1 463.585 4.685 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(-c5ccc(Cl)nc5)ccc4C4OCCCO4)C[C@@H]3C2)cn1 ZINC001164774413 721179120 /nfs/dbraw/zinc/17/91/20/721179120.db2.gz YZXVLQWLHGPQFB-GOTSBHOMSA-N 1 1 494.039 4.529 20 0 JJADMO FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871400 721194754 /nfs/dbraw/zinc/19/47/54/721194754.db2.gz YXLYTYLUZWOWAW-MOPGFXCFSA-N 1 1 476.980 4.883 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncnc5scc(-c6ccc(Cl)cc6)c54)C[C@H]3C2)cn1 ZINC001164766986 721194985 /nfs/dbraw/zinc/19/49/85/721194985.db2.gz JVAORFUKCNFCHA-RBUKOAKNSA-N 1 1 465.026 4.704 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(-c5ccccc5)nc(-c5cccs5)n4)C[C@H]3C2)cn1 ZINC001164764232 721216309 /nfs/dbraw/zinc/21/63/09/721216309.db2.gz GPBDANDZMMXRAY-FGZHOGPDSA-N 1 1 456.619 4.564 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccccc5F)c4)C[C@@H]3C2)cn1 ZINC001164764918 721224526 /nfs/dbraw/zinc/22/45/26/721224526.db2.gz HCELJHFAKCEHGK-ROUUACIJSA-N 1 1 475.946 4.778 20 0 JJADMO O=C(N1CCCC1)C12CC(C1)CN2c1nc(C[NH+]2CCCCC2)nc2scc(-c3cccs3)c21 ZINC001164872167 721237771 /nfs/dbraw/zinc/23/77/71/721237771.db2.gz KKOPWFSDKSFWFD-UHFFFAOYSA-N 1 1 493.702 4.997 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)nc1 ZINC001164875835 721260038 /nfs/dbraw/zinc/26/00/38/721260038.db2.gz MKRIWIWWHWFPFB-WWPJHQMMSA-N 1 1 476.665 4.967 20 0 JJADMO O=C1CCC2(CCN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)CC2)N1CC1CC1 ZINC001164775726 721306846 /nfs/dbraw/zinc/30/68/46/721306846.db2.gz IUSKGKWBPASRNG-UHFFFAOYSA-N 1 1 493.721 4.927 20 0 JJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)nc1 ZINC001164777702 721327390 /nfs/dbraw/zinc/32/73/90/721327390.db2.gz PJHAURXSJIDONU-GGAORHGYSA-N 1 1 454.590 4.760 20 0 JJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCN(C(=O)c4cscn4)C3)CC2)nc1 ZINC001164874697 721329776 /nfs/dbraw/zinc/32/97/76/721329776.db2.gz HVARQOMZPUGJPO-QFIPXVFZSA-N 1 1 453.656 4.608 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc4ccc(F)cc43)C2)C1 ZINC001164778632 721342550 /nfs/dbraw/zinc/34/25/50/721342550.db2.gz NLFUCBQVAHCJGD-XMMPIXPASA-N 1 1 458.965 4.751 20 0 JJADMO COc1ccc2c(c1)nc(Cl)cc2N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164778811 721349502 /nfs/dbraw/zinc/34/95/02/721349502.db2.gz OTHVOQKFGSDMGM-VWLOTQADSA-N 1 1 471.001 4.621 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4cc(C)ccc43)C2)C1 ZINC001164782245 721355054 /nfs/dbraw/zinc/35/50/54/721355054.db2.gz LODPPPRVDXXKEM-RUZDIDTESA-N 1 1 455.002 4.920 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc4c(C)ccc(F)c4cc3C)C2)C1 ZINC001164782939 721357148 /nfs/dbraw/zinc/35/71/48/721357148.db2.gz NWKLEGLGSWFIDL-AREMUKBSSA-N 1 1 452.574 4.715 20 0 JJADMO CSc1ccc(Oc2cc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)ncn2)cc1 ZINC001164783907 721361661 /nfs/dbraw/zinc/36/16/61/721361661.db2.gz PZCBSBLKSLAKTA-AREMUKBSSA-N 1 1 495.649 4.715 20 0 JJADMO CSc1ccc(Oc2cc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)ncn2)cc1 ZINC001164783907 721361667 /nfs/dbraw/zinc/36/16/67/721361667.db2.gz PZCBSBLKSLAKTA-AREMUKBSSA-N 1 1 495.649 4.715 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(C4CCCCC4)nc(C)n3)C2)C1 ZINC001164781606 721363721 /nfs/dbraw/zinc/36/37/21/721363721.db2.gz KBYYXASPIYEQPC-AREMUKBSSA-N 1 1 453.631 4.557 20 0 JJADMO Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3[nH+]c(N4CCCC4)cc4ccccc43)C2)C1 ZINC001164786022 721368275 /nfs/dbraw/zinc/36/82/75/721368275.db2.gz UMCJUOOZCCMZSY-NDEPHWFRSA-N 1 1 475.637 4.559 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(C(F)F)nc4ccc(Cl)cc43)C2)C1 ZINC001164786056 721372209 /nfs/dbraw/zinc/37/22/09/721372209.db2.gz VFDRMMQZLLQNTC-XMMPIXPASA-N 1 1 491.970 4.945 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc5nc(Cl)cc(Cl)c5c4)C3)O2)CC1 ZINC001164887682 721404753 /nfs/dbraw/zinc/40/47/53/721404753.db2.gz MEYSSLWXWJUMNR-FDDCHVKYSA-N 1 1 499.433 4.852 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cnc(-c5ccccc5)c(-c5ccccc5)n4)C3)O2)CC1 ZINC001164890925 721408877 /nfs/dbraw/zinc/40/88/77/721408877.db2.gz UILZIDJKTXSIRE-YZNIXAGQSA-N 1 1 483.660 4.576 20 0 JJADMO Clc1ccc(-c2ccc(C3OCCCO3)c(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c2)cn1 ZINC001164783890 721420812 /nfs/dbraw/zinc/42/08/12/721420812.db2.gz JHIWSXZULPAMDQ-PMACEKPBSA-N 1 1 483.037 4.862 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5sc(-c6ccccc6)cc54)C3)O2)CC1 ZINC001164893732 721425128 /nfs/dbraw/zinc/42/51/28/721425128.db2.gz KDWFFYNPHVSOCJ-FNZWTVRRSA-N 1 1 498.096 4.777 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c3ccccc32)cc1C ZINC001164890250 721434317 /nfs/dbraw/zinc/43/43/17/721434317.db2.gz CSMJMXNTEQUHPQ-RNAHPLFWSA-N 1 1 485.676 4.679 20 0 JJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@]3(CCC[C@H]3COCc3csc(C)n3)C2)nc1 ZINC001164787507 721445304 /nfs/dbraw/zinc/44/53/04/721445304.db2.gz XHJJPQDSKHWYCZ-GGBSJPMNSA-N 1 1 470.683 4.986 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)ncc1Cl)CC2 ZINC001164790302 721451662 /nfs/dbraw/zinc/45/16/62/721451662.db2.gz XYMONVAZPUWCGV-QGZVFWFLSA-N 1 1 478.411 4.667 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(-c5cccs5)c4)C3)O2)CC1 ZINC001164889832 721453073 /nfs/dbraw/zinc/45/30/73/721453073.db2.gz PNVHNNDNDDFDCD-WMZHIEFXSA-N 1 1 497.055 4.774 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cc3ccc(F)cc31)CC2 ZINC001164790562 721455309 /nfs/dbraw/zinc/45/53/09/721455309.db2.gz ZICCTEWEIQTDBG-NRFANRHFSA-N 1 1 462.009 4.761 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cc3c(Cl)ccnc31)CC2 ZINC001164782715 721458809 /nfs/dbraw/zinc/45/88/09/721458809.db2.gz BDBPKUIUTVKXTH-GOSISDBHSA-N 1 1 479.452 4.671 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C(F)F)nc3ccc(Cl)cc31)CC2 ZINC001164791284 721470548 /nfs/dbraw/zinc/47/05/48/721470548.db2.gz WJWJKSRBYHJMAA-LJQANCHMSA-N 1 1 495.014 4.955 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(SCc3ccccc3)n1)CC2 ZINC001164790039 721470860 /nfs/dbraw/zinc/47/08/60/721470860.db2.gz QEKAMMZJWYTWIF-DEOSSOPVSA-N 1 1 482.694 4.503 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cc3cc(F)c(OC)cc31)CC2 ZINC001164786504 721474673 /nfs/dbraw/zinc/47/46/73/721474673.db2.gz BNRMIKKIBXZHDU-FQEVSTJZSA-N 1 1 492.035 4.770 20 0 JJADMO CCOC(=O)c1cnc(Cl)c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1Cl ZINC001164793006 721492866 /nfs/dbraw/zinc/49/28/66/721492866.db2.gz YOQJDSNTBLYOFV-UHFFFAOYSA-N 1 1 463.409 4.841 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccc3)nc3ccccc32)[C@H]2CCCO[C@H]12 ZINC001164809571 721546747 /nfs/dbraw/zinc/54/67/47/721546747.db2.gz VLHDCFCTQTWYRL-NXCFDTQHSA-N 1 1 451.574 4.560 20 0 JJADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4cc(F)ccc4Oc4ccc(Cl)nn4)CC[N@H+]3C2)c1 ZINC001164906580 721553441 /nfs/dbraw/zinc/55/34/41/721553441.db2.gz KDFXYNJRRHPSJX-HKUYNNGSSA-N 1 1 458.896 4.542 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)[C@H]2CCCO[C@H]12 ZINC001164802331 721559615 /nfs/dbraw/zinc/55/96/15/721559615.db2.gz IBYMPASVKCAJHH-ZCNNSNEGSA-N 1 1 494.373 4.745 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)[C@H]2CCCO[C@H]12 ZINC001164802331 721559617 /nfs/dbraw/zinc/55/96/17/721559617.db2.gz IBYMPASVKCAJHH-ZCNNSNEGSA-N 1 1 494.373 4.745 20 0 JJADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164809387 721565107 /nfs/dbraw/zinc/56/51/07/721565107.db2.gz WVCZUNBXPIKQJJ-JXQFQVJHSA-N 1 1 473.404 4.813 20 0 JJADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164809387 721565110 /nfs/dbraw/zinc/56/51/10/721565110.db2.gz WVCZUNBXPIKQJJ-JXQFQVJHSA-N 1 1 473.404 4.813 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3c(Cl)nccc32)[C@H]2CCCO[C@H]12 ZINC001164809865 721568698 /nfs/dbraw/zinc/56/86/98/721568698.db2.gz XQAZFIIJVSISSU-BDTNDASRSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3c(Cl)nccc32)[C@H]2CCCO[C@H]12 ZINC001164809865 721568707 /nfs/dbraw/zinc/56/87/07/721568707.db2.gz XQAZFIIJVSISSU-BDTNDASRSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)c(Cl)nc2Cl)[C@H]2CCCO[C@H]12 ZINC001164807991 721574584 /nfs/dbraw/zinc/57/45/84/721574584.db2.gz UHCFIKHUQCSBSH-BBWFWOEESA-N 1 1 477.770 4.850 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)c(Cl)nc2Cl)[C@H]2CCCO[C@H]12 ZINC001164807991 721574588 /nfs/dbraw/zinc/57/45/88/721574588.db2.gz UHCFIKHUQCSBSH-BBWFWOEESA-N 1 1 477.770 4.850 20 0 JJADMO COc1ccc(-c2csc3ncnc(N4C[C@H]([N@H+](C)Cc5cccnc5)[C@H]5OCCC[C@@H]54)c23)cc1 ZINC001164806659 721576800 /nfs/dbraw/zinc/57/68/00/721576800.db2.gz QOCWXCFPDLRNFD-LSQMVHIFSA-N 1 1 487.629 4.630 20 0 JJADMO COc1ccc(-c2csc3ncnc(N4C[C@H]([N@@H+](C)Cc5cccnc5)[C@H]5OCCC[C@@H]54)c23)cc1 ZINC001164806659 721576802 /nfs/dbraw/zinc/57/68/02/721576802.db2.gz QOCWXCFPDLRNFD-LSQMVHIFSA-N 1 1 487.629 4.630 20 0 JJADMO Cc1nc2sc3c(c2c(N2C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]42)n1)CCCCC3 ZINC001164809628 721578592 /nfs/dbraw/zinc/57/85/92/721578592.db2.gz UGLQPNVLWQLLBD-DPLHUUCSSA-N 1 1 463.651 4.532 20 0 JJADMO Cc1nc2sc3c(c2c(N2C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]42)n1)CCCCC3 ZINC001164809628 721578595 /nfs/dbraw/zinc/57/85/95/721578595.db2.gz UGLQPNVLWQLLBD-DPLHUUCSSA-N 1 1 463.651 4.532 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(-c3ccc(F)cc3)c3ccccc32)[C@H]2CCCO[C@@H]12 ZINC001164809588 721578647 /nfs/dbraw/zinc/57/86/47/721578647.db2.gz UAJDLUYJNKAAJZ-ZWEKWIFMSA-N 1 1 469.564 4.699 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(-c3ccc(F)cc3)c3ccccc32)[C@H]2CCCO[C@@H]12 ZINC001164809588 721578650 /nfs/dbraw/zinc/57/86/50/721578650.db2.gz UAJDLUYJNKAAJZ-ZWEKWIFMSA-N 1 1 469.564 4.699 20 0 JJADMO Cc1nc2scc(-c3cccs3)c2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164812295 721578958 /nfs/dbraw/zinc/57/89/58/721578958.db2.gz ZYPZHFDUFJUYMC-QTEQDKRBSA-N 1 1 477.659 4.991 20 0 JJADMO Cc1nc2scc(-c3cccs3)c2c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164812295 721578961 /nfs/dbraw/zinc/57/89/61/721578961.db2.gz ZYPZHFDUFJUYMC-QTEQDKRBSA-N 1 1 477.659 4.991 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccsc3)nc3ccccc32)[C@@H]2CCCO[C@H]12 ZINC001164799359 721579727 /nfs/dbraw/zinc/57/97/27/721579727.db2.gz AZDFUEPYWXJBGJ-SMIHKQSGSA-N 1 1 457.603 4.622 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(-c3ccccc3)nnc2Cl)[C@H]2CCCO[C@H]12 ZINC001164810757 721580500 /nfs/dbraw/zinc/58/05/00/721580500.db2.gz WBNXHVPKUCCPMS-ZRBLBEILSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(-c3ccccc3)nnc2Cl)[C@H]2CCCO[C@H]12 ZINC001164810757 721580503 /nfs/dbraw/zinc/58/05/03/721580503.db2.gz WBNXHVPKUCCPMS-ZRBLBEILSA-N 1 1 485.966 4.605 20 0 JJADMO FC1(F)CCN(c2ccc(-c3ccc(Cl)cc3)nn2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904090 721587081 /nfs/dbraw/zinc/58/70/81/721587081.db2.gz CVQWJFNFEDNNTP-HSZRJFAPSA-N 1 1 455.940 4.930 20 0 JJADMO CCc1ccccc1Oc1nc(Cl)ncc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164801647 721589584 /nfs/dbraw/zinc/58/95/84/721589584.db2.gz FDYKQUMPJNSXLR-SSPYTLHUSA-N 1 1 480.012 4.748 20 0 JJADMO CCc1ccccc1Oc1nc(Cl)ncc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164801647 721589586 /nfs/dbraw/zinc/58/95/86/721589586.db2.gz FDYKQUMPJNSXLR-SSPYTLHUSA-N 1 1 480.012 4.748 20 0 JJADMO CCc1ccccc1Oc1nc(Cl)ncc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164801634 721589744 /nfs/dbraw/zinc/58/97/44/721589744.db2.gz FDYKQUMPJNSXLR-JCTONOIOSA-N 1 1 480.012 4.748 20 0 JJADMO CCc1ccccc1Oc1nc(Cl)ncc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164801634 721589747 /nfs/dbraw/zinc/58/97/47/721589747.db2.gz FDYKQUMPJNSXLR-JCTONOIOSA-N 1 1 480.012 4.748 20 0 JJADMO Cc1cncc(COC[C@]23CCC[C@@H]2CN(c2ncnc4c2CC[N@H+](Cc2ccccc2)C4)C3)c1 ZINC001164802945 721600821 /nfs/dbraw/zinc/60/08/21/721600821.db2.gz UGELBDNCZZIMPX-VAVYLYDRSA-N 1 1 469.633 4.562 20 0 JJADMO Cc1cncc(COC[C@]23CCC[C@@H]2CN(c2ncnc4c2CC[N@@H+](Cc2ccccc2)C4)C3)c1 ZINC001164802945 721600824 /nfs/dbraw/zinc/60/08/24/721600824.db2.gz UGELBDNCZZIMPX-VAVYLYDRSA-N 1 1 469.633 4.562 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(CC[C@H](C(=O)Nc4cccnc4)O3)[C@H](C)C2)nc1 ZINC001165009278 721692337 /nfs/dbraw/zinc/69/23/37/721692337.db2.gz OIYYWOYQCCMYCC-VGSCBBJJSA-N 1 1 477.653 4.816 20 0 JJADMO Fc1cc2nc(Cl)c(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2cc1F ZINC001164907481 721699026 /nfs/dbraw/zinc/69/90/26/721699026.db2.gz UERXQCCKKPZUHS-NRFANRHFSA-N 1 1 465.882 4.694 20 0 JJADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164903727 721699047 /nfs/dbraw/zinc/69/90/47/721699047.db2.gz BXSIMEMTSBIXQJ-XMMPIXPASA-N 1 1 499.587 4.515 20 0 JJADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164903725 721699422 /nfs/dbraw/zinc/69/94/22/721699422.db2.gz BXSIMEMTSBIXQJ-DEOSSOPVSA-N 1 1 499.587 4.515 20 0 JJADMO CCOC(=O)c1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc2ccccc21 ZINC001164904074 721702401 /nfs/dbraw/zinc/70/24/01/721702401.db2.gz CVPKOZCKXFSWOR-RUZDIDTESA-N 1 1 466.532 4.544 20 0 JJADMO CCc1nc2sc3c(c2c(N2CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C2)n1)CCC3 ZINC001164907757 721722587 /nfs/dbraw/zinc/72/25/87/721722587.db2.gz TZSCZLNJFVRIPO-DEOSSOPVSA-N 1 1 469.605 4.875 20 0 JJADMO FC(F)(c1cc(C2CC2)nnc1Cl)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164912719 721726061 /nfs/dbraw/zinc/72/60/61/721726061.db2.gz PSECBBDFSFLFCV-FQEVSTJZSA-N 1 1 469.914 4.685 20 0 JJADMO FC(F)(c1cc(C2CC2)nnc1Cl)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164912722 721726263 /nfs/dbraw/zinc/72/62/63/721726263.db2.gz PSECBBDFSFLFCV-HXUWFJFHSA-N 1 1 469.914 4.685 20 0 JJADMO CC(C)C(=O)N1CCC[C@]12CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CC[C@H](C)C4)C2 ZINC001165008135 721726408 /nfs/dbraw/zinc/72/64/08/721726408.db2.gz JXTHELTVUMYBFX-UZTOHYMASA-N 1 1 481.710 4.639 20 0 JJADMO CC(C)C(=O)N1CCC[C@@]12CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CC[C@@H](C)C4)C2 ZINC001165008140 721726635 /nfs/dbraw/zinc/72/66/35/721726635.db2.gz JXTHELTVUMYBFX-WINIVTDRSA-N 1 1 481.710 4.639 20 0 JJADMO Fc1ccc(COc2cccnc2N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc1 ZINC001164913848 721728469 /nfs/dbraw/zinc/72/84/69/721728469.db2.gz YXZMPJUHROXKOR-RUZDIDTESA-N 1 1 468.523 4.932 20 0 JJADMO Fc1ccc(COc2cccnc2N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc1 ZINC001164913849 721728923 /nfs/dbraw/zinc/72/89/23/721728923.db2.gz YXZMPJUHROXKOR-VWLOTQADSA-N 1 1 468.523 4.932 20 0 JJADMO CCN(c1ccccc1)c1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncn1 ZINC001164910586 721731660 /nfs/dbraw/zinc/73/16/60/721731660.db2.gz GNLDJRCUENHGCQ-VWLOTQADSA-N 1 1 464.564 4.767 20 0 JJADMO Fc1ccc2nc(C(F)F)nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164913535 721733149 /nfs/dbraw/zinc/73/31/49/721733149.db2.gz WWUICJDMGAOQIB-JOCHJYFZSA-N 1 1 463.454 4.839 20 0 JJADMO FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164913097 721736319 /nfs/dbraw/zinc/73/63/19/721736319.db2.gz SNNOIWZXHHHVID-GOSISDBHSA-N 1 1 479.305 4.946 20 0 JJADMO CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164910935 721756007 /nfs/dbraw/zinc/75/60/07/721756007.db2.gz UROXRZGQYBQOOQ-UHFFFAOYSA-N 1 1 452.002 4.514 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc(C(=O)NC3CCCC3)cc1Cl)C2 ZINC001164912548 721761859 /nfs/dbraw/zinc/76/18/59/721761859.db2.gz ZJTAJWIUJZCCSW-UHFFFAOYSA-N 1 1 480.012 4.590 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc(C(=O)NC3CCCC3)cc1Cl)C2 ZINC001164912548 721761862 /nfs/dbraw/zinc/76/18/62/721761862.db2.gz ZJTAJWIUJZCCSW-UHFFFAOYSA-N 1 1 480.012 4.590 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1c(Cl)nnc(Cl)c1N1CCCCC1)C2 ZINC001164910527 721766323 /nfs/dbraw/zinc/76/63/23/721766323.db2.gz HNWNPJMXUHNGHW-UHFFFAOYSA-N 1 1 487.435 4.956 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1c(Cl)nnc(Cl)c1N1CCCCC1)C2 ZINC001164910527 721766325 /nfs/dbraw/zinc/76/63/25/721766325.db2.gz HNWNPJMXUHNGHW-UHFFFAOYSA-N 1 1 487.435 4.956 20 0 JJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)n1 ZINC001164917343 721807635 /nfs/dbraw/zinc/80/76/35/721807635.db2.gz VCYJQRYQUTVGQW-KDYSTLNUSA-N 1 1 487.629 4.632 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)cnc4c3)C[C@H]21 ZINC001165019791 721810019 /nfs/dbraw/zinc/81/00/19/721810019.db2.gz BUWQWCUYXYCXDO-ZWDAVXSWSA-N 1 1 457.956 4.960 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3ccc4nc(Cl)cnc4c3)C[C@H]21 ZINC001165019785 721810022 /nfs/dbraw/zinc/81/00/22/721810022.db2.gz BUWQWCUYXYCXDO-DKZVUGQWSA-N 1 1 457.956 4.960 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)C[C@H]21 ZINC001165030554 721820695 /nfs/dbraw/zinc/82/06/95/721820695.db2.gz ZTSWBXLACAFKEK-USXIJHARSA-N 1 1 456.368 4.546 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4ccn(C(=O)c5ccccc5)c4n3)C[C@@H]21 ZINC001165030147 721821149 /nfs/dbraw/zinc/82/11/49/721821149.db2.gz YBKUSONOENEDNK-AYRHNUGRSA-N 1 1 465.601 4.857 20 0 JJADMO CCOC(=O)c1ccc2nc(Cl)nc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001165025126 721822036 /nfs/dbraw/zinc/82/20/36/721822036.db2.gz LTYSAGWXNUFFNO-AVCGJXAMSA-N 1 1 480.012 4.592 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccncc4)n3)C[C@H]21 ZINC001165030142 721822675 /nfs/dbraw/zinc/82/26/75/721822675.db2.gz YBECQEFYVHOVNL-CEWLAPEOSA-N 1 1 484.982 4.869 20 0 JJADMO Cc1ccc(-c2nc3c(ncnc3N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)o2)cc1 ZINC001165023185 721824947 /nfs/dbraw/zinc/82/49/47/721824947.db2.gz IGRTVSWSVYDKLS-PMVMPFDFSA-N 1 1 454.578 4.725 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(C(=O)OCc4ccccc4)cn3)C[C@@H]21 ZINC001165019829 721825777 /nfs/dbraw/zinc/82/57/77/721825777.db2.gz CGDJNRRBXWUJSK-DMTNHVFBSA-N 1 1 456.590 4.571 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(-c4nc(-c5cccs5)no4)ccn3)C[C@@H]21 ZINC001165030134 721827767 /nfs/dbraw/zinc/82/77/67/721827767.db2.gz XXIUMJTWFAROEX-BAGYTPMASA-N 1 1 472.618 4.992 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(-c4ccncc4)nc4sccc43)C[C@H]21 ZINC001165027081 721828930 /nfs/dbraw/zinc/82/89/30/721828930.db2.gz RUGCMWYNVGFDJB-UEVCKROQSA-N 1 1 456.619 4.885 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cncc(OCc4cccc(Cl)c4)n3)C[C@H]21 ZINC001165028862 721830150 /nfs/dbraw/zinc/83/01/50/721830150.db2.gz VTDARJAEOLRYCU-TUACAJSNSA-N 1 1 464.013 4.841 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CC2)C(=O)Nc2c3cccc2F)n1 ZINC001165023807 721833011 /nfs/dbraw/zinc/83/30/11/721833011.db2.gz VIABIHBTFQZXEF-UHFFFAOYSA-N 1 1 467.614 4.779 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC4(CC3)C(=O)Nc3c4cccc3F)c2c1C ZINC001165020864 721833028 /nfs/dbraw/zinc/83/30/28/721833028.db2.gz DXYDNUJXKKPVEM-UHFFFAOYSA-N 1 1 479.625 4.923 20 0 JJADMO CCOC(=O)C1(F)CCN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CC[C@@H](C)C4)CC1 ZINC001165018004 721834824 /nfs/dbraw/zinc/83/48/24/721834824.db2.gz PFPZNCFZMYKOGA-QGZVFWFLSA-N 1 1 474.646 4.674 20 0 JJADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2nc(Cl)c3ccccc3n2)CC1 ZINC001165023473 721838355 /nfs/dbraw/zinc/83/83/55/721838355.db2.gz ZAGDDSWWRSBXEX-UHFFFAOYSA-N 1 1 476.955 4.946 20 0 JJADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)Cc2nc(Cl)cc(Cl)n2)CC1 ZINC001165021996 721842898 /nfs/dbraw/zinc/84/28/98/721842898.db2.gz LQKUVYYHZQMLSP-UHFFFAOYSA-N 1 1 475.367 4.532 20 0 JJADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(CN2CCCCC2)nc2scc(-c3cccs3)c21 ZINC001164932637 721880159 /nfs/dbraw/zinc/88/01/59/721880159.db2.gz JUQDQFSEHZHSPV-SFTDATJTSA-N 1 1 496.750 4.620 20 0 JJADMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(CN2CCCCC2)nc2scc(-c3cccs3)c21 ZINC001164932637 721880160 /nfs/dbraw/zinc/88/01/60/721880160.db2.gz JUQDQFSEHZHSPV-SFTDATJTSA-N 1 1 496.750 4.620 20 0 JJADMO Cc1sc2nc(-c3ccccn3)nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4CCN(C)C)c2c1-c1ccccc1 ZINC001164934659 721880306 /nfs/dbraw/zinc/88/03/06/721880306.db2.gz SVZOLCMGDNUVAD-DHIUTWEWSA-N 1 1 484.673 4.943 20 0 JJADMO Cc1sc2nc(-c3ccccn3)nc(N3CC[C@@H]4[C@H]3CCN4CC[NH+](C)C)c2c1-c1ccccc1 ZINC001164934659 721880308 /nfs/dbraw/zinc/88/03/08/721880308.db2.gz SVZOLCMGDNUVAD-DHIUTWEWSA-N 1 1 484.673 4.943 20 0 JJADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)c2c1 ZINC001164939074 721930757 /nfs/dbraw/zinc/93/07/57/721930757.db2.gz IFOMQDOSIIAZRB-UHFFFAOYSA-N 1 1 495.023 4.640 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)COC(=O)Nc4cccnc4Cl)CC3)C2)cc1 ZINC001164943996 721933118 /nfs/dbraw/zinc/93/31/18/721933118.db2.gz QOURIZUELYNCAO-UHFFFAOYSA-N 1 1 494.970 4.552 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(C(F)F)nc5ccc(F)cc54)CC3)C2)cc1 ZINC001164940216 721933166 /nfs/dbraw/zinc/93/31/66/721933166.db2.gz SLECPNDYUVPNPR-UHFFFAOYSA-N 1 1 456.512 4.886 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)n1 ZINC001164949915 721967223 /nfs/dbraw/zinc/96/72/23/721967223.db2.gz ZITIEPDWXRBJGP-LXFBAYGMSA-N 1 1 491.705 4.919 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)n1 ZINC001164949910 721967415 /nfs/dbraw/zinc/96/74/15/721967415.db2.gz ZITIEPDWXRBJGP-FIPFOOKPSA-N 1 1 491.705 4.919 20 0 JJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3ccc(=O)n(Cc4csc(C)n4)c3CC2)nc1 ZINC001164949956 722007298 /nfs/dbraw/zinc/00/72/98/722007298.db2.gz AUKHBWJYMVYNJT-DEOSSOPVSA-N 1 1 477.678 4.599 20 0 JJADMO COc1cccc(Oc2nc(Cl)ncc2N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164961244 722024393 /nfs/dbraw/zinc/02/43/93/722024393.db2.gz MHCAOCWSBZTAED-UHFFFAOYSA-N 1 1 465.985 4.818 20 0 JJADMO Fc1cccc(Oc2nc(Cl)ncc2N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164964736 722024579 /nfs/dbraw/zinc/02/45/79/722024579.db2.gz YCWVABFGUMKTJH-UHFFFAOYSA-N 1 1 453.949 4.949 20 0 JJADMO Cc1nc2sc3c(c2c(N2CCC4(CC2)COCC[N@@H+](Cc2ccncc2)C4)n1)CCCCC3 ZINC001164963355 722059706 /nfs/dbraw/zinc/05/97/06/722059706.db2.gz XGZUXWDRRKEWED-UHFFFAOYSA-N 1 1 477.678 4.783 20 0 JJADMO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164961739 722059755 /nfs/dbraw/zinc/05/97/55/722059755.db2.gz OSEJWYIYPNYJFI-HSZRJFAPSA-N 1 1 486.664 4.523 20 0 JJADMO Fc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc1 ZINC001164960033 722059944 /nfs/dbraw/zinc/05/99/44/722059944.db2.gz DUHQIENHCUSBTK-UHFFFAOYSA-N 1 1 483.975 4.575 20 0 JJADMO c1ccc(CSc2ccnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2)cc1 ZINC001164960014 722060505 /nfs/dbraw/zinc/06/05/05/722060505.db2.gz CRWAUWKAMBOPTG-UHFFFAOYSA-N 1 1 460.647 4.888 20 0 JJADMO Cc1nc(-c2ccccc2Cl)nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1C ZINC001164959949 722061108 /nfs/dbraw/zinc/06/11/08/722061108.db2.gz ACTMUERXXPJATK-UHFFFAOYSA-N 1 1 478.040 4.928 20 0 JJADMO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164962186 722061303 /nfs/dbraw/zinc/06/13/03/722061303.db2.gz PLEWEAJDQXFPFB-UHFFFAOYSA-N 1 1 499.993 4.856 20 0 JJADMO Cc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164966017 722061946 /nfs/dbraw/zinc/06/19/46/722061946.db2.gz NHVSFRRYEXUIHJ-UHFFFAOYSA-N 1 1 480.012 4.745 20 0 JJADMO c1c(-c2ccccc2)sc2nc(-c3cccnc3)nc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c12 ZINC001164967218 722075712 /nfs/dbraw/zinc/07/57/12/722075712.db2.gz OFHQZFDZYNEGTA-SZPZYZBQSA-N 1 1 469.614 4.720 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCc4onc(COc5ccccn5)c4C3)c2c1C ZINC001164968670 722083071 /nfs/dbraw/zinc/08/30/71/722083071.db2.gz GILYLUPHIJYVLV-UHFFFAOYSA-N 1 1 490.633 4.819 20 0 JJADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@@H]5CC(C(=O)NC6CCC6)C[C@H]5C4)c32)C1 ZINC001164978384 722085538 /nfs/dbraw/zinc/08/55/38/722085538.db2.gz YWFYSFDLPBROPX-HOJAQTOUSA-N 1 1 493.721 4.543 20 0 JJADMO Clc1nc(Cl)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1Cl ZINC001164979205 722108165 /nfs/dbraw/zinc/10/81/65/722108165.db2.gz PNNUDXAVSNBRKQ-UONOGXRCSA-N 1 1 462.208 4.818 20 0 JJADMO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981488 722121993 /nfs/dbraw/zinc/12/19/93/722121993.db2.gz UFNUOLKORDNEOJ-UZLBHIALSA-N 1 1 494.373 4.604 20 0 JJADMO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973192 722123860 /nfs/dbraw/zinc/12/38/60/722123860.db2.gz GWCOSTLKSQNVOC-OXJNMPFZSA-N 1 1 494.373 4.604 20 0 JJADMO c1ccc(COc2ccc3nc(N4CC[C@@H]5C[N@@H+](Cc6cccnc6)CCO[C@H]5C4)ccc3c2)cc1 ZINC001164983210 722126475 /nfs/dbraw/zinc/12/64/75/722126475.db2.gz YMDBCYIVRGEEHH-UHSQPCAPSA-N 1 1 480.612 4.936 20 0 JJADMO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973423 722138270 /nfs/dbraw/zinc/13/82/70/722138270.db2.gz CDQAKWSADZUXQM-WMLDXEAASA-N 1 1 477.770 4.709 20 0 JJADMO Fc1ccc(-c2nnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c3ccccc32)cc1F ZINC001164980269 722140320 /nfs/dbraw/zinc/14/03/20/722140320.db2.gz MJLXAUFQQAJQHH-LVXARBLLSA-N 1 1 487.554 4.697 20 0 JJADMO c1ccc(-c2ccc(-c3ccc(N4CC[C@@H]5C[N@@H+](Cc6cccnc6)CCO[C@H]5C4)nn3)cc2)cc1 ZINC001164978114 722148166 /nfs/dbraw/zinc/14/81/66/722148166.db2.gz JZJLZSSKCGMBHN-PXJZQJOASA-N 1 1 477.612 4.933 20 0 JJADMO CN1c2ccccc2[C@@]2(CCN(c3nc(C[NH+](C)C)nc4scc(-c5ccccc5)c43)C2)C1=O ZINC001164981140 722162849 /nfs/dbraw/zinc/16/28/49/722162849.db2.gz OQWRVIKKNMDEIA-MHZLTWQESA-N 1 1 469.614 4.544 20 0 JJADMO CC(=O)N1CC2(CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)CC2)c2cc(C)ccc21 ZINC001164992097 722189469 /nfs/dbraw/zinc/18/94/69/722189469.db2.gz VNUONTQWLCMWAO-UHFFFAOYSA-N 1 1 466.629 4.853 20 0 JJADMO O=C(c1cc(Cl)nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1)N1CCCCC1 ZINC001164993864 722195949 /nfs/dbraw/zinc/19/59/49/722195949.db2.gz IFLNQEVRXIVCOM-VWLOTQADSA-N 1 1 456.993 4.745 20 0 JJADMO Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c2c1C ZINC001164994013 722208329 /nfs/dbraw/zinc/20/83/29/722208329.db2.gz CPUCTWDZABZLHQ-HHHXNRCGSA-N 1 1 495.668 4.524 20 0 JJADMO c1ccc(C[C@H]2[C@H](OCC3CC3)CCN2c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)cc1 ZINC001165006084 722271634 /nfs/dbraw/zinc/27/16/34/722271634.db2.gz LSIFAAHKNCPAKE-WUFINQPMSA-N 1 1 454.618 4.652 20 0 JJADMO c1ccc(C[C@H]2[C@H](OCC3CC3)CCN2c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC001165006084 722271636 /nfs/dbraw/zinc/27/16/36/722271636.db2.gz LSIFAAHKNCPAKE-WUFINQPMSA-N 1 1 454.618 4.652 20 0 JJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](OCc4csc(C)n4)CO3)CC2)nc1 ZINC001165009036 722273234 /nfs/dbraw/zinc/27/32/34/722273234.db2.gz NIXCOXRSQSEIDU-DHIUTWEWSA-N 1 1 456.656 4.738 20 0 JJADMO CC(C)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1Cc1ccccc1OC(F)(F)F ZINC001359712077 1064260337 /nfs/dbraw/zinc/26/03/37/1064260337.db2.gz FBGMWPRXYDNJSM-UHFFFAOYSA-N 1 1 451.537 4.803 20 0 JJADMO CC(C)c1nnc(N2CCN(c3cc(Cl)cc(C(F)(F)F)c3)CC2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001359715781 1064264753 /nfs/dbraw/zinc/26/47/53/1064264753.db2.gz LHVOQEYTARDAGO-INIZCTEOSA-N 1 1 484.998 4.883 20 0 JJADMO CC(C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1Cc1ccsc1Br ZINC001359719047 1064266116 /nfs/dbraw/zinc/26/61/16/1064266116.db2.gz AGWJBSAQCZLNKU-QGZVFWFLSA-N 1 1 474.472 4.985 20 0 JJADMO CC(C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1Cc1ccsc1Br ZINC001359719046 1064266264 /nfs/dbraw/zinc/26/62/64/1064266264.db2.gz AGWJBSAQCZLNKU-KRWDZBQOSA-N 1 1 474.472 4.985 20 0 JJADMO CC(C)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CCNc1ncc(Cl)cc1Cl ZINC001359719570 1064266750 /nfs/dbraw/zinc/26/67/50/1064266750.db2.gz PYBOMSXTQBUCKT-UHFFFAOYSA-N 1 1 480.469 4.599 20 0 JJADMO CC(C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1Cc1nc(C(C)(C)C)cs1 ZINC001359719696 1064267399 /nfs/dbraw/zinc/26/73/99/1064267399.db2.gz UMAPCSMOMILOFI-LJQANCHMSA-N 1 1 452.672 4.915 20 0 JJADMO CC(C)c1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1CC1CCC(C(F)(F)F)CC1 ZINC001359720955 1064268593 /nfs/dbraw/zinc/26/85/93/1064268593.db2.gz IVZXGKOTBOAZIK-UHFFFAOYSA-N 1 1 479.591 4.971 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)(CC)C2)n1C[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001545865408 1064273196 /nfs/dbraw/zinc/27/31/96/1064273196.db2.gz AKQJEYSWOBMCOV-UFHPHHKVSA-N 1 1 480.701 4.660 20 0 JJADMO CC(C)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001359726961 1064273702 /nfs/dbraw/zinc/27/37/02/1064273702.db2.gz BNNCSXMQNOOYAE-ZVDOUQERSA-N 1 1 488.702 4.650 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C(C)(C)C2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001545865856 1064274978 /nfs/dbraw/zinc/27/49/78/1064274978.db2.gz NSSITRCMWFTSHA-NRFANRHFSA-N 1 1 494.728 4.906 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001545867434 1064276825 /nfs/dbraw/zinc/27/68/25/1064276825.db2.gz BPYGJFORNGLDGH-FGZHOGPDSA-N 1 1 472.722 4.581 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccccc3)CC2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001545870188 1064282719 /nfs/dbraw/zinc/28/27/19/1064282719.db2.gz IMTREFGGNQMBAQ-RUZDIDTESA-N 1 1 480.701 4.845 20 0 JJADMO CC(C)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(C)C)C1)[NH+]1CCOCC1 ZINC001359731947 1064285793 /nfs/dbraw/zinc/28/57/93/1064285793.db2.gz VMKAHLRLBYQMQA-VWNXMTODSA-N 1 1 474.093 4.752 20 0 JJADMO CC(C)[C@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2CCC[N@@H+](C)C2CCCCC2)C1 ZINC001359732324 1064286467 /nfs/dbraw/zinc/28/64/67/1064286467.db2.gz BTOSFXZEWCKOBQ-NRFANRHFSA-N 1 1 486.730 4.797 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)n1CCCC(C)(C)C ZINC001545872787 1064288509 /nfs/dbraw/zinc/28/85/09/1064288509.db2.gz YLYNSFTUMJQQEJ-UHFFFAOYSA-N 1 1 483.705 4.940 20 0 JJADMO CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(Br)cc2Cl)n1CC[N@@H+]1CCOC[C@H]1C ZINC001359734683 1064294474 /nfs/dbraw/zinc/29/44/74/1064294474.db2.gz ZORJAQCDWXZFLP-UZLBHIALSA-N 1 1 496.881 4.707 20 0 JJADMO CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(Br)cc2Cl)n1CC[N@H+]1CCOC[C@H]1C ZINC001359734683 1064294482 /nfs/dbraw/zinc/29/44/82/1064294482.db2.gz ZORJAQCDWXZFLP-UZLBHIALSA-N 1 1 496.881 4.707 20 0 JJADMO CC(C)[C@H]1CCCN1c1nnc(-c2ccc(Br)cc2Cl)n1CC[N@@H+]1CCOC[C@H]1C ZINC001359734682 1064294710 /nfs/dbraw/zinc/29/47/10/1064294710.db2.gz ZORJAQCDWXZFLP-OXQOHEQNSA-N 1 1 496.881 4.707 20 0 JJADMO CC(C)[C@H]1CCCN1c1nnc(-c2ccc(Br)cc2Cl)n1CC[N@H+]1CCOC[C@H]1C ZINC001359734682 1064294722 /nfs/dbraw/zinc/29/47/22/1064294722.db2.gz ZORJAQCDWXZFLP-OXQOHEQNSA-N 1 1 496.881 4.707 20 0 JJADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H](C)Cc1ccc(Br)cc1 ZINC001545880300 1064296221 /nfs/dbraw/zinc/29/62/21/1064296221.db2.gz WOAGXPFOQKZHRO-GCJKJVERSA-N 1 1 459.428 4.846 20 0 JJADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H](C)Cc1ccc(Br)cc1 ZINC001545880302 1064296463 /nfs/dbraw/zinc/29/64/63/1064296463.db2.gz WOAGXPFOQKZHRO-XMSQKQJNSA-N 1 1 459.428 4.846 20 0 JJADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H](C)Cc1ccc(Br)cc1 ZINC001545880299 1064296505 /nfs/dbraw/zinc/29/65/05/1064296505.db2.gz WOAGXPFOQKZHRO-AVRDEDQJSA-N 1 1 459.428 4.846 20 0 JJADMO CC(C)C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001359739978 1064308938 /nfs/dbraw/zinc/30/89/38/1064308938.db2.gz JOQDXRLRWXQRQW-UHFFFAOYSA-N 1 1 476.438 4.981 20 0 JJADMO CC(C)[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@@H+](C)Cc2ccccc2)C1 ZINC001359740294 1064309595 /nfs/dbraw/zinc/30/95/95/1064309595.db2.gz RICUSCSZOHQAKX-JOCHJYFZSA-N 1 1 453.034 4.998 20 0 JJADMO Cc1cc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)nn1-c1ccc(Br)cc1 ZINC001434883982 1064315987 /nfs/dbraw/zinc/31/59/87/1064315987.db2.gz QCUPZDUPGWFAEG-YLJYHZDGSA-N 1 1 453.384 4.509 20 0 JJADMO CC(C)[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCCC(C)(C)C2)CCS1 ZINC001359746800 1064325015 /nfs/dbraw/zinc/32/50/15/1064325015.db2.gz NKPNSERRRPMAAB-LJQANCHMSA-N 1 1 495.535 4.736 20 0 JJADMO CC(C)[C@H]1CN(c2nnc(C(C)(C)C)n2C[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CCS1 ZINC001359747322 1064327335 /nfs/dbraw/zinc/32/73/35/1064327335.db2.gz YWRQMAWIXPHDKD-CMKODMSKSA-N 1 1 465.708 4.828 20 0 JJADMO CC(C)[C@H]1CN(c2nnc(C(C)(C)C)n2C[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CCS1 ZINC001359747322 1064327346 /nfs/dbraw/zinc/32/73/46/1064327346.db2.gz YWRQMAWIXPHDKD-CMKODMSKSA-N 1 1 465.708 4.828 20 0 JJADMO CC(C)[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H](C)[N@@H+](C)C2CC2)CCS1 ZINC001359747768 1064330215 /nfs/dbraw/zinc/33/02/15/1064330215.db2.gz IALWZRQDLINLAY-MGPUTAFESA-N 1 1 496.494 4.907 20 0 JJADMO Cc1ccc(NC(=O)CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)c(Cl)c1 ZINC001434902954 1064330370 /nfs/dbraw/zinc/33/03/70/1064330370.db2.gz YDVSCDPPRKRXQH-QDPGVEIFSA-N 1 1 476.020 4.793 20 0 JJADMO CC(C)[C@@H]1CN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC[N@@H+](C)C(C)C)CCS1 ZINC001359750554 1064339474 /nfs/dbraw/zinc/33/94/74/1064339474.db2.gz OJSAGKUCPLACCR-QFIPXVFZSA-N 1 1 454.644 4.518 20 0 JJADMO Cc1ccc(NC(=O)c2cnc(CCC(F)(F)F)s2)cc1NC(=O)C[NH+]1CCCCC1 ZINC001434916307 1064343299 /nfs/dbraw/zinc/34/32/99/1064343299.db2.gz UQQDRMMYNYXGFF-UHFFFAOYSA-N 1 1 454.518 4.623 20 0 JJADMO Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC001434916686 1064344393 /nfs/dbraw/zinc/34/43/93/1064344393.db2.gz YHQFOZSIXFQCNN-UHFFFAOYSA-N 1 1 450.514 4.774 20 0 JJADMO CC(C)[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC[N@@H+](C)C2CCCCC2)CCS1 ZINC001359755445 1064348851 /nfs/dbraw/zinc/34/88/51/1064348851.db2.gz AGXOMINFHYQKRR-HSZRJFAPSA-N 1 1 475.678 4.839 20 0 JJADMO CC(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001359756371 1064353454 /nfs/dbraw/zinc/35/34/54/1064353454.db2.gz QGNDNWBYXWYYMZ-RBBKRZOGSA-N 1 1 490.490 4.689 20 0 JJADMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C(=O)NCCc1ccccc1 ZINC001434925144 1064353729 /nfs/dbraw/zinc/35/37/29/1064353729.db2.gz PUJTURDPWIOWET-RUZDIDTESA-N 1 1 455.602 4.818 20 0 JJADMO CC(C)[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCC[N@@H+](C)C2CCCCC2)CCO1 ZINC001359756421 1064354229 /nfs/dbraw/zinc/35/42/29/1064354229.db2.gz QZSUSWWJQWHZSJ-DEOSSOPVSA-N 1 1 473.637 4.512 20 0 JJADMO CC(C)[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC001359756553 1064354668 /nfs/dbraw/zinc/35/46/68/1064354668.db2.gz UNPBLVUTVNLEPW-UHRQBARKSA-N 1 1 483.701 4.578 20 0 JJADMO CCOc1ccccc1-c1cccc(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC001434981540 1064397987 /nfs/dbraw/zinc/39/79/87/1064397987.db2.gz GOPIVNAUISVIPX-QHCPKHFHSA-N 1 1 457.574 4.702 20 0 JJADMO CCOC(=O)Nc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)c(Cl)c1 ZINC001434994856 1064409990 /nfs/dbraw/zinc/40/99/90/1064409990.db2.gz GGQZCJQFMGEIJH-UHFFFAOYSA-N 1 1 451.354 4.566 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@@H](C)c2cc3ccccc3o2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001359775120 1064417150 /nfs/dbraw/zinc/41/71/50/1064417150.db2.gz IVFUHBTWDSFRPJ-SFTDATJTSA-N 1 1 453.631 4.921 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001359775403 1064418073 /nfs/dbraw/zinc/41/80/73/1064418073.db2.gz PAGBWIWRXOBOTG-FGZHOGPDSA-N 1 1 482.673 4.751 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1C[C@@H]1CSCCS1 ZINC001359777496 1064421206 /nfs/dbraw/zinc/42/12/06/1064421206.db2.gz LIVYECBNHCEBLR-YMPZKCBVSA-N 1 1 473.756 4.815 20 0 JJADMO CC(C)Cc1nnc(N(C)Cc2cccc(Br)c2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001359780971 1064430511 /nfs/dbraw/zinc/43/05/11/1064430511.db2.gz PCHBVEPAGSXVFV-GOSISDBHSA-N 1 1 457.420 4.650 20 0 JJADMO Cc1cccc(COc2ccc([C@H](C)NC(=O)[C@H](c3ccccc3)N3CC[NH+](C)CC3)cc2)c1 ZINC001435014708 1064431745 /nfs/dbraw/zinc/43/17/45/1064431745.db2.gz LZUHNCCEZNNPDE-FIPFOOKPSA-N 1 1 457.618 4.740 20 0 JJADMO CC(C)Cc1nnc(N(C)Cc2cnc(C(C)C)nc2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001359781585 1064432449 /nfs/dbraw/zinc/43/24/49/1064432449.db2.gz MWZSMGPGETXMGB-DEOSSOPVSA-N 1 1 461.658 4.691 20 0 JJADMO CC(C)Cc1nnc(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1Cc1nnc(C(C)(C)C)s1 ZINC001359783582 1064435236 /nfs/dbraw/zinc/43/52/36/1064435236.db2.gz DEJKMCSKLACSAM-OAQYLSRUSA-N 1 1 481.714 4.632 20 0 JJADMO CC(C)Cc1nnc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1Cc1ccc(Cl)nc1 ZINC001359783789 1064435997 /nfs/dbraw/zinc/43/59/97/1064435997.db2.gz JUTSLPVIIABJGC-QFIPXVFZSA-N 1 1 453.034 4.532 20 0 JJADMO CC(C)Cc1nnc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1C[C@@H]1CCCO[C@H]1C(C)C ZINC001359784100 1064436949 /nfs/dbraw/zinc/43/69/49/1064436949.db2.gz RIONPKNHVQDZMK-KLJDGLGGSA-N 1 1 467.702 4.886 20 0 JJADMO CC(C)Cc1nnc(N2Cc3ccc(Br)cc3C2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001359791864 1064449293 /nfs/dbraw/zinc/44/92/93/1064449293.db2.gz GZBLNQUOZNPONY-ROUUACIJSA-N 1 1 460.464 4.880 20 0 JJADMO CC(C)Cc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001359794391 1064452401 /nfs/dbraw/zinc/45/24/01/1064452401.db2.gz WTWZYTFNMLCACG-WWNPGLIZSA-N 1 1 493.618 4.935 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001359798645 1064462352 /nfs/dbraw/zinc/46/23/52/1064462352.db2.gz MHTYYYANEQQLOS-VXKWHMMOSA-N 1 1 490.737 4.871 20 0 JJADMO CC(C)Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001359798712 1064463111 /nfs/dbraw/zinc/46/31/11/1064463111.db2.gz NOTQVBXDFZCUFK-OAHLLOKOSA-N 1 1 469.518 4.918 20 0 JJADMO O=C(CCCNC(=O)OCc1ccccc1)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001435048151 1064464416 /nfs/dbraw/zinc/46/44/16/1064464416.db2.gz VZXJHWNAPPAHFW-QHCPKHFHSA-N 1 1 458.002 4.517 20 0 JJADMO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC001435048010 1064464471 /nfs/dbraw/zinc/46/44/71/1064464471.db2.gz VIOGIHHRGAZAII-MSOLQXFVSA-N 1 1 454.924 4.604 20 0 JJADMO O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC001435048010 1064464479 /nfs/dbraw/zinc/46/44/79/1064464479.db2.gz VIOGIHHRGAZAII-MSOLQXFVSA-N 1 1 454.924 4.604 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1C[C@]1(O)CCCC1(C)C ZINC001359802098 1064470480 /nfs/dbraw/zinc/47/04/80/1064470480.db2.gz HUDAVUDNKLOCMT-WXVAWEFUSA-N 1 1 453.675 4.519 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@@H](C3CCOCC3)C2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001359806910 1064477186 /nfs/dbraw/zinc/47/71/86/1064477186.db2.gz XKVGCBDQSVPENG-RUZDIDTESA-N 1 1 453.675 4.618 20 0 JJADMO CC(C)Cc1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001359808924 1064481649 /nfs/dbraw/zinc/48/16/49/1064481649.db2.gz ASDHEEOFDGQLCE-QFIPXVFZSA-N 1 1 490.737 4.872 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001359815545 1064496082 /nfs/dbraw/zinc/49/60/82/1064496082.db2.gz OIVGFUCUJLYZEB-SANMLTNESA-N 1 1 474.093 4.578 20 0 JJADMO CC(C)Cc1nnc(N2CCC(OCCc3ccccc3)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001359817515 1064500351 /nfs/dbraw/zinc/50/03/51/1064500351.db2.gz GDIBOXMEDHIRPZ-RUZDIDTESA-N 1 1 467.702 4.825 20 0 JJADMO Cc1c(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001435091107 1064508488 /nfs/dbraw/zinc/50/84/88/1064508488.db2.gz OKKMXAYZIUZGMW-MRXNPFEDSA-N 1 1 458.484 4.845 20 0 JJADMO C[C@@H](c1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1)[NH+]1CCOCC1 ZINC001435091982 1064508802 /nfs/dbraw/zinc/50/88/02/1064508802.db2.gz YRXKTOSNMMVXEV-AWEZNQCLSA-N 1 1 453.764 4.513 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@@H]3CC[N@H+](Cc4ccccc4)[C@H]32)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001359826730 1064508990 /nfs/dbraw/zinc/50/89/90/1064508990.db2.gz UCZDSJMSNBFGKH-VTZPFEBOSA-N 1 1 496.700 4.696 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H]32)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001359826730 1064509007 /nfs/dbraw/zinc/50/90/07/1064509007.db2.gz UCZDSJMSNBFGKH-VTZPFEBOSA-N 1 1 496.700 4.696 20 0 JJADMO C[C@@H](CNC(=O)c1c(F)ccc(C(F)(F)F)c1Br)[N@H+]1CCc2ccccc2C1 ZINC001359828336 1064509908 /nfs/dbraw/zinc/50/99/08/1064509908.db2.gz FKPVTRRHLJTSJA-LBPRGKRZSA-N 1 1 459.281 4.784 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001359830043 1064511982 /nfs/dbraw/zinc/51/19/82/1064511982.db2.gz CFLOWXNPEQPOTH-GGAORHGYSA-N 1 1 488.721 4.577 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1C[C@@](C)(O)c1ccsc1 ZINC001359832824 1064516503 /nfs/dbraw/zinc/51/65/03/1064516503.db2.gz PCTRBTIDSWCMOF-BPYKYCOYSA-N 1 1 459.704 4.537 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1C[C@](C)(O)c1ccsc1 ZINC001359832823 1064516554 /nfs/dbraw/zinc/51/65/54/1064516554.db2.gz PCTRBTIDSWCMOF-BKSPAHHJSA-N 1 1 459.704 4.537 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001359832981 1064517294 /nfs/dbraw/zinc/51/72/94/1064517294.db2.gz RQFCALBJQLHYTG-VXKWHMMOSA-N 1 1 476.710 4.577 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001359834528 1064520734 /nfs/dbraw/zinc/52/07/34/1064520734.db2.gz FUGBYKDNUSMMDS-XMMPIXPASA-N 1 1 453.675 4.709 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001359834996 1064522064 /nfs/dbraw/zinc/52/20/64/1064522064.db2.gz PQRANFCRMSNMEX-RDGATRHJSA-N 1 1 483.701 4.530 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001359834996 1064522076 /nfs/dbraw/zinc/52/20/76/1064522076.db2.gz PQRANFCRMSNMEX-RDGATRHJSA-N 1 1 483.701 4.530 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001359835407 1064522709 /nfs/dbraw/zinc/52/27/09/1064522709.db2.gz WIGYGLPWXDWBHW-GMAHTHKFSA-N 1 1 480.632 4.579 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001359835393 1064522735 /nfs/dbraw/zinc/52/27/35/1064522735.db2.gz WDZBSPCZEHMHPG-VXKWHMMOSA-N 1 1 479.591 4.689 20 0 JJADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)[C@@H](C)C1 ZINC001435131313 1064536169 /nfs/dbraw/zinc/53/61/69/1064536169.db2.gz DRQLQOZINICACN-WMZOPIPTSA-N 1 1 454.537 4.503 20 0 JJADMO CC(C)Cc1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359859592 1064547715 /nfs/dbraw/zinc/54/77/15/1064547715.db2.gz AJUPEXZOHZWREH-UBFVSLLYSA-N 1 1 480.745 4.944 20 0 JJADMO CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001359860181 1064548506 /nfs/dbraw/zinc/54/85/06/1064548506.db2.gz FZAYPIOIAOELMB-XZOQPEGZSA-N 1 1 498.716 4.690 20 0 JJADMO CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001359860177 1064548764 /nfs/dbraw/zinc/54/87/64/1064548764.db2.gz FZAYPIOIAOELMB-GOTSBHOMSA-N 1 1 498.716 4.690 20 0 JJADMO CC(C)Cc1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CC[C@@H](C)c1ccccc1 ZINC001359860288 1064549228 /nfs/dbraw/zinc/54/92/28/1064549228.db2.gz ONHHLRMPKPFAHP-SDHSZQHLSA-N 1 1 466.718 4.665 20 0 JJADMO CC(C)Cc1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1CCCC[NH+]1CCC(C)CC1 ZINC001359860580 1064549550 /nfs/dbraw/zinc/54/95/50/1064549550.db2.gz JMKFHXZCURZZAR-RUZDIDTESA-N 1 1 466.718 4.699 20 0 JJADMO CC(C)Cc1nnc(N2CCN(Cc3cccs3)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001359861279 1064550807 /nfs/dbraw/zinc/55/08/07/1064550807.db2.gz QCOHCYIVEIXDLY-QFIPXVFZSA-N 1 1 458.720 4.515 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001359865801 1064555842 /nfs/dbraw/zinc/55/58/42/1064555842.db2.gz JEWJJIHSGWWLGQ-MHZLTWQESA-N 1 1 453.675 4.566 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(Br)c3)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001359866299 1064557067 /nfs/dbraw/zinc/55/70/67/1064557067.db2.gz OUXPAZVQJXUFPD-SIKLNZKXSA-N 1 1 490.490 4.549 20 0 JJADMO CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001359880808 1064574478 /nfs/dbraw/zinc/57/44/78/1064574478.db2.gz JLYQEOAPRZQOEA-MSOLQXFVSA-N 1 1 466.457 4.845 20 0 JJADMO CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001359880808 1064574491 /nfs/dbraw/zinc/57/44/91/1064574491.db2.gz JLYQEOAPRZQOEA-MSOLQXFVSA-N 1 1 466.457 4.845 20 0 JJADMO CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001359880810 1064574542 /nfs/dbraw/zinc/57/45/42/1064574542.db2.gz JLYQEOAPRZQOEA-ROUUACIJSA-N 1 1 466.457 4.845 20 0 JJADMO CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001359880810 1064574552 /nfs/dbraw/zinc/57/45/52/1064574552.db2.gz JLYQEOAPRZQOEA-ROUUACIJSA-N 1 1 466.457 4.845 20 0 JJADMO CN(C(=O)c1ccc(NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001435188771 1064578599 /nfs/dbraw/zinc/57/85/99/1064578599.db2.gz NUMPJVLWQXLZOM-RSXGOPAZSA-N 1 1 457.574 4.612 20 0 JJADMO CC(C)C[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001359886439 1064581957 /nfs/dbraw/zinc/58/19/57/1064581957.db2.gz LXWLZAHUZKAFDT-VXKWHMMOSA-N 1 1 486.730 4.510 20 0 JJADMO C[C@@H]1C[C@@H](N(C)C(=O)COc2ccccc2OCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001435204608 1064590741 /nfs/dbraw/zinc/59/07/41/1064590741.db2.gz RLXFHCGCAFNEJJ-QUCCMNQESA-N 1 1 450.501 4.518 20 0 JJADMO Cc1ccc(-n2ncc(C(=O)N3CCC[N@H+](Cc4ccccc4)C[C@H]3C)c2C(F)(F)F)cc1 ZINC001435207459 1064592029 /nfs/dbraw/zinc/59/20/29/1064592029.db2.gz PUUQSWDMFLGYLE-LJQANCHMSA-N 1 1 456.512 4.936 20 0 JJADMO CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001359891855 1064593149 /nfs/dbraw/zinc/59/31/49/1064593149.db2.gz YGMXTRAYUYJHFO-RUZDIDTESA-N 1 1 477.097 4.737 20 0 JJADMO CC(C)CC[C@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001359894228 1064595324 /nfs/dbraw/zinc/59/53/24/1064595324.db2.gz MHTMIHJWIIVNQL-LFAGZIFBSA-N 1 1 475.703 4.652 20 0 JJADMO CCCS(=O)(=O)Nc1cccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC(C)C)c1 ZINC001435226745 1064607101 /nfs/dbraw/zinc/60/71/01/1064607101.db2.gz KBBZKCGJWCKDRA-ZJSXRUAMSA-N 1 1 457.640 4.571 20 0 JJADMO CCN(Cc1ccccc1)c1ccc(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC001435254426 1064631158 /nfs/dbraw/zinc/63/11/58/1064631158.db2.gz SRQQRTVTLQVRCY-DEOSSOPVSA-N 1 1 456.634 4.654 20 0 JJADMO CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001435262092 1064638273 /nfs/dbraw/zinc/63/82/73/1064638273.db2.gz ROOISJSBICWJBO-WEMPKCCASA-N 1 1 459.612 4.511 20 0 JJADMO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001435262170 1064638393 /nfs/dbraw/zinc/63/83/93/1064638393.db2.gz SPLBVIGRMKJFLX-HOYKHHGWSA-N 1 1 457.043 4.946 20 0 JJADMO CC(C)CCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001359918343 1064641020 /nfs/dbraw/zinc/64/10/20/1064641020.db2.gz FNTOAJHPAHSIPD-JWQCQUIFSA-N 1 1 453.675 4.957 20 0 JJADMO CC(C)CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001359918613 1064641574 /nfs/dbraw/zinc/64/15/74/1064641574.db2.gz LKCJWKKTJUACDC-UHFFFAOYSA-N 1 1 490.737 4.997 20 0 JJADMO CC(C)CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CC=CCC1)C1CC1 ZINC001359924452 1064655229 /nfs/dbraw/zinc/65/52/29/1064655229.db2.gz QDKBIDYIROGMSZ-JOCHJYFZSA-N 1 1 486.705 4.669 20 0 JJADMO 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RFKUABBWEGHXEW-UHFFFAOYSA-N 1 1 490.490 4.835 20 0 JJADMO CC[C@@H](NC(=O)Cc1csc([C@H]2CC[C@H](C)CC2)n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435454335 1064766427 /nfs/dbraw/zinc/76/64/27/1064766427.db2.gz CFUOQJDVEOFKIR-WDWDUUAGSA-N 1 1 455.668 4.775 20 0 JJADMO CC[C@@H](NC(=O)Cc1csc([C@H]2CC[C@H](C)CC2)n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435454335 1064766435 /nfs/dbraw/zinc/76/64/35/1064766435.db2.gz CFUOQJDVEOFKIR-WDWDUUAGSA-N 1 1 455.668 4.775 20 0 JJADMO CC[C@@H](NC(=O)c1cc2ccccc2n1CC(F)(F)F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435455651 1064767228 /nfs/dbraw/zinc/76/72/28/1064767228.db2.gz KDMJWGUVRDLGSF-OFNKIYASSA-N 1 1 459.512 4.613 20 0 JJADMO CC[C@@H](NC(=O)c1cc2ccccc2n1CC(F)(F)F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435455651 1064767239 /nfs/dbraw/zinc/76/72/39/1064767239.db2.gz KDMJWGUVRDLGSF-OFNKIYASSA-N 1 1 459.512 4.613 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001435458149 1064768403 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1064808231 /nfs/dbraw/zinc/80/82/31/1064808231.db2.gz MWWDBQSOWVIQNX-ACIOBRDBSA-N 1 1 493.618 4.587 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)c2cccc(O)c2)C1 ZINC001360012330 1064808976 /nfs/dbraw/zinc/80/89/76/1064808976.db2.gz POQYGRYBRZZMHE-GGAORHGYSA-N 1 1 462.642 4.535 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(N(C)[C@@H](C)c3cccs3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001360012354 1064809052 /nfs/dbraw/zinc/80/90/52/1064809052.db2.gz QFNMNWQOZCRATF-AOJNWGRGSA-N 1 1 489.730 4.946 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(N(C)[C@H](C)c3cccs3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001360012357 1064809404 /nfs/dbraw/zinc/80/94/04/1064809404.db2.gz QFNMNWQOZCRATF-UFPGJGBJSA-N 1 1 489.730 4.946 20 0 JJADMO Cc1nc2cc(F)ccc2cc1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001435529647 1064810556 /nfs/dbraw/zinc/81/05/56/1064810556.db2.gz KLGKOCGKZAYNBW-UHFFFAOYSA-N 1 1 456.359 4.839 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](C(C)(C)C)C2)C1 ZINC001360013000 1064811029 /nfs/dbraw/zinc/81/10/29/1064811029.db2.gz ZYRQTJVGGYYNHU-UARRHKHWSA-N 1 1 489.749 4.816 20 0 JJADMO O=C(CSCc1ccc(F)cc1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001435530624 1064812148 /nfs/dbraw/zinc/81/21/48/1064812148.db2.gz SSGWDOPNMGIPFW-UHFFFAOYSA-N 1 1 451.405 4.602 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N2C[C@@H](C)CC(C)(C)C2)C1 ZINC001360034701 1064839057 /nfs/dbraw/zinc/83/90/57/1064839057.db2.gz GXNDIZGTPWNKKF-UGKGYDQZSA-N 1 1 460.066 4.828 20 0 JJADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCC[C@H]2C(C)C)C1 ZINC001360035512 1064840955 /nfs/dbraw/zinc/84/09/55/1064840955.db2.gz NRRLDAFMBOXBAC-MSOLQXFVSA-N 1 1 496.519 4.751 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)C1 ZINC001360035524 1064841128 /nfs/dbraw/zinc/84/11/28/1064841128.db2.gz NSCIAXFEJCENDI-PKTZIBPZSA-N 1 1 490.092 4.739 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC[C@H](C)C2)C1 ZINC001360035921 1064842468 /nfs/dbraw/zinc/84/24/68/1064842468.db2.gz RCHOPLMKVMLFHX-HKUYNNGSSA-N 1 1 466.457 4.845 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cccc(Br)c3)nnc2N2CC[C@H](C(C)C)C2)C1 ZINC001360036066 1064844197 /nfs/dbraw/zinc/84/41/97/1064844197.db2.gz SBGHPGHWTJRQPT-UNMCSNQZSA-N 1 1 490.490 4.547 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@@H](C(C)C)C2)C1 ZINC001360036263 1064844526 /nfs/dbraw/zinc/84/45/26/1064844526.db2.gz WXYMJDYHQPZEST-ZLNRFVROSA-N 1 1 487.664 4.786 20 0 JJADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)C2CCC(C)CC2)C1 ZINC001360038035 1064848815 /nfs/dbraw/zinc/84/88/15/1064848815.db2.gz AOTIMQHQZHKUNI-QROMIFEXSA-N 1 1 475.722 4.568 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)C2CCC(C)CC2)C1 ZINC001360038032 1064848882 /nfs/dbraw/zinc/84/88/82/1064848882.db2.gz AOTIMQHQZHKUNI-AXHJKWHWSA-N 1 1 475.722 4.568 20 0 JJADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(N(C)CCCc3cc(-c4ccccc4)no3)nnc2C(C)(C)C)C1 ZINC001360038458 1064849459 /nfs/dbraw/zinc/84/94/59/1064849459.db2.gz GBOHGAFDTNPKHJ-XMMPIXPASA-N 1 1 494.684 4.656 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(COc3ccccc3F)nnc2N(C)[C@H](C)c2cccs2)C1 ZINC001360038209 1064849521 /nfs/dbraw/zinc/84/95/21/1064849521.db2.gz CJOZAZSWPYSSMO-UXHICEINSA-N 1 1 487.645 4.612 20 0 JJADMO C[C@@H]1C[C@@H](CCNC(=O)C2=Cc3cc(Br)ccc3OC2)C[N@H+]1Cc1ccccc1 ZINC001435588518 1064853726 /nfs/dbraw/zinc/85/37/26/1064853726.db2.gz XYAWJETXDYNVIA-IEBWSBKVSA-N 1 1 455.396 4.642 20 0 JJADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2C[C@H](C)CC(C)(C)C2)C1 ZINC001360040306 1064855329 /nfs/dbraw/zinc/85/53/29/1064855329.db2.gz PNIGTKBQAHXABP-NFBKMPQASA-N 1 1 474.093 4.752 20 0 JJADMO CC(C)COC(=O)N1CCCN(c2nnc(-c3ccccc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001360042015 1064858450 /nfs/dbraw/zinc/85/84/50/1064858450.db2.gz NYBBYFYXTZNZRJ-HSZRJFAPSA-N 1 1 496.700 4.760 20 0 JJADMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC001435599825 1064864296 /nfs/dbraw/zinc/86/42/96/1064864296.db2.gz BZBOUFUZBIQEPO-GOSISDBHSA-N 1 1 459.377 4.963 20 0 JJADMO Cc1cc(NC(=O)[C@H](c2cccc(Cl)c2)N(C)C)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC001435614049 1064877310 /nfs/dbraw/zinc/87/73/10/1064877310.db2.gz RCIMQFNLEAYYQZ-VWNXMTODSA-N 1 1 452.002 4.533 20 0 JJADMO CC(C)CO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001360056084 1064886270 /nfs/dbraw/zinc/88/62/70/1064886270.db2.gz AGTDEPSIZYUPLR-UGKGYDQZSA-N 1 1 477.600 4.530 20 0 JJADMO CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001360056594 1064887891 /nfs/dbraw/zinc/88/78/91/1064887891.db2.gz DFKASYMDAPNVGR-BVAGGSTKSA-N 1 1 497.728 4.995 20 0 JJADMO CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001360056601 1064888659 /nfs/dbraw/zinc/88/86/59/1064888659.db2.gz DFKASYMDAPNVGR-ZEQKJWHPSA-N 1 1 497.728 4.995 20 0 JJADMO Cc1ccccc1CN1CCN(c2nnc(CC(C)C)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001492596885 1064901052 /nfs/dbraw/zinc/90/10/52/1064901052.db2.gz XASIUUZOTJLHMC-JWQCQUIFSA-N 1 1 480.745 4.865 20 0 JJADMO CC(C)CO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC001360061979 1064902002 /nfs/dbraw/zinc/90/20/02/1064902002.db2.gz FCMKDBSRYZMNLU-LOSJGSFVSA-N 1 1 467.702 4.683 20 0 JJADMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)c1 ZINC001435644844 1064904027 /nfs/dbraw/zinc/90/40/27/1064904027.db2.gz UVEHZVDVLSXAJX-UHFFFAOYSA-N 1 1 450.296 4.778 20 0 JJADMO C[C@H](Oc1ccccc1Br)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001435658313 1064913354 /nfs/dbraw/zinc/91/33/54/1064913354.db2.gz YIXGNIGPSDOEQV-ZJDLJICXSA-N 1 1 457.412 4.633 20 0 JJADMO C[C@H](Oc1cccc(Br)c1)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001435658476 1064913569 /nfs/dbraw/zinc/91/35/69/1064913569.db2.gz ZKQDYOKZIWFACQ-WTYSZDEDSA-N 1 1 457.412 4.633 20 0 JJADMO CC(C)(C)OC(=O)/C=C\c1cc(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)co1 ZINC001435661944 1064916132 /nfs/dbraw/zinc/91/61/32/1064916132.db2.gz KTZGYDXPDZCUAH-FUHRKDBISA-N 1 1 450.579 4.665 20 0 JJADMO CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001435669599 1064923121 /nfs/dbraw/zinc/92/31/21/1064923121.db2.gz QWCPHXSCEYQKKD-OAHLLOKOSA-N 1 1 458.430 4.720 20 0 JJADMO CC(C)[N@H+](Cc1ccc(NC(=O)C[C@@H](n2cccn2)C(F)(F)F)cc1)C[C@H]1CCCCO1 ZINC001435674750 1064927353 /nfs/dbraw/zinc/92/73/53/1064927353.db2.gz SGWQEDJGHFVNIG-NHCUHLMSSA-N 1 1 452.521 4.795 20 0 JJADMO COc1cc(C(=O)Nc2ccc(C[N@@H+](C[C@H]3CCCCO3)C(C)C)cc2)cc(OC)c1OC ZINC001435675355 1064927666 /nfs/dbraw/zinc/92/76/66/1064927666.db2.gz UPHNAPSIUSVDAT-JOCHJYFZSA-N 1 1 456.583 4.744 20 0 JJADMO Cc1cc(C(=O)Nc2ccc(C[N@H+](C[C@H]3CCCCO3)C(C)C)cc2)nc(C(F)(F)F)n1 ZINC001435675352 1064928082 /nfs/dbraw/zinc/92/80/82/1064928082.db2.gz UKIUGBAREPEPJM-LJQANCHMSA-N 1 1 450.505 4.836 20 0 JJADMO CC(C)CSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001360081085 1064940322 /nfs/dbraw/zinc/94/03/22/1064940322.db2.gz ZWLGSLJEYUNGCT-XUZZJYLKSA-N 1 1 485.742 4.789 20 0 JJADMO CC(C)CSCCn1c(-c2ccc[nH]2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001360083055 1064944548 /nfs/dbraw/zinc/94/45/48/1064944548.db2.gz VMVSQVNBVQCGRT-QFIPXVFZSA-N 1 1 452.672 4.763 20 0 JJADMO C[C@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001435705797 1064948465 /nfs/dbraw/zinc/94/84/65/1064948465.db2.gz QVCBXQQJLCUQBK-OYDLWJJNSA-N 1 1 451.611 4.669 20 0 JJADMO C[C@H](NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001435708877 1064949486 /nfs/dbraw/zinc/94/94/86/1064949486.db2.gz ZGMVOMKCAPZQPH-DCJWPQLDSA-N 1 1 453.671 4.659 20 0 JJADMO C[C@@H](NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001435708892 1064949812 /nfs/dbraw/zinc/94/98/12/1064949812.db2.gz ZGMVOMKCAPZQPH-VEMGEMFASA-N 1 1 453.671 4.659 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001360092406 1064960509 /nfs/dbraw/zinc/96/05/09/1064960509.db2.gz DXGDERJTWIKZJW-FCHUYYIVSA-N 1 1 461.601 4.890 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001360092407 1064961283 /nfs/dbraw/zinc/96/12/83/1064961283.db2.gz DXGDERJTWIKZJW-FGZHOGPDSA-N 1 1 461.601 4.890 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2CCC2CCN(CC(F)(F)F)CC2)CC1 ZINC001360092473 1064961573 /nfs/dbraw/zinc/96/15/73/1064961573.db2.gz HAIPEQRNHZGPPF-UHFFFAOYSA-N 1 1 486.671 4.797 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(C)CCCO2)CC1 ZINC001360092539 1064961830 /nfs/dbraw/zinc/96/18/30/1064961830.db2.gz JEBOGHVNZNCJJZ-DEOSSOPVSA-N 1 1 490.490 4.833 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2Cc2c(F)cccc2OC(F)F)CC1 ZINC001360092526 1064962032 /nfs/dbraw/zinc/96/20/32/1064962032.db2.gz ITJSTCQKBNXUQT-UHFFFAOYSA-N 1 1 467.580 4.921 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001360092593 1064962226 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HRIUUUJBMVWCHE-UHFFFAOYSA-N 1 1 480.451 4.809 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 ZINC001360112498 1064994100 /nfs/dbraw/zinc/99/41/00/1064994100.db2.gz GBYONBKJLMKMSU-VWLOTQADSA-N 1 1 483.701 4.890 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001360113248 1064994789 /nfs/dbraw/zinc/99/47/89/1064994789.db2.gz UMDAYGDSCNKHLA-XLIONFOSSA-N 1 1 482.456 4.509 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@]2(CCSC2)C1 ZINC001360113348 1064995613 /nfs/dbraw/zinc/99/56/13/1064995613.db2.gz XTCFNWUCCCOHKL-AREMUKBSSA-N 1 1 471.715 4.828 20 0 JJADMO CC[NH+](CC)[C@@H](C(=O)Nc1ccc(CN(C)C(=O)OC)cc1)c1cccc(C(F)(F)F)c1 ZINC001360114767 1064997130 /nfs/dbraw/zinc/99/71/30/1064997130.db2.gz WUNOVPGEXFYRLS-HXUWFJFHSA-N 1 1 451.489 4.925 20 0 JJADMO CC(C)N(Cc1ccco1)c1nnc(-c2ccccc2Cl)n1CC[N@@H+]1CCOCC1(C)C ZINC001360119082 1065005919 /nfs/dbraw/zinc/00/59/19/1065005919.db2.gz WFARHCJIRWPLQH-UHFFFAOYSA-N 1 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CC(C)[NH+](CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2CCCC[C@H]2C1)C(C)C ZINC001360123094 1065013471 /nfs/dbraw/zinc/01/34/71/1065013471.db2.gz CCPZZFXPBWXTDT-NRFANRHFSA-N 1 1 477.072 4.921 20 0 JJADMO Cc1cccc(C[NH+]2CCN(C(=O)CCc3nc4cc(Br)ccc4s3)CC2)c1 ZINC001435835218 1065016019 /nfs/dbraw/zinc/01/60/19/1065016019.db2.gz AANTXBVDKGTJRL-UHFFFAOYSA-N 1 1 458.425 4.644 20 0 JJADMO Cc1cc(Br)c(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1Br ZINC001435854285 1065025628 /nfs/dbraw/zinc/02/56/28/1065025628.db2.gz ZRJFMXVOAHRHCW-KGLIPLIRSA-N 1 1 458.238 4.903 20 0 JJADMO Cc1ccc(-c2ncc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CCN(C)CC3)s2)c(C)c1 ZINC001435864875 1065032327 /nfs/dbraw/zinc/03/23/27/1065032327.db2.gz GWPITCHMPOMTIS-PKTZIBPZSA-N 1 1 454.684 4.836 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2ccsc2)C1 ZINC001360138102 1065034084 /nfs/dbraw/zinc/03/40/84/1065034084.db2.gz ARMUQOJHZHTRPL-QGZVFWFLSA-N 1 1 491.503 4.864 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)C[C@H]2CC=CCC2)C1 ZINC001360139148 1065035509 /nfs/dbraw/zinc/03/55/09/1065035509.db2.gz NWJJQLHZDFBAHZ-GOTSBHOMSA-N 1 1 499.103 4.774 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)C1 ZINC001360139313 1065035589 /nfs/dbraw/zinc/03/55/89/1065035589.db2.gz PXFOFMFNJYCFDV-OALUTQOASA-N 1 1 499.025 4.792 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3ccccc3Br)nnc2N2CCC(F)(F)C2)C1 ZINC001360139246 1065035615 /nfs/dbraw/zinc/03/56/15/1065035615.db2.gz PLKKRFREJCAXQY-MRXNPFEDSA-N 1 1 468.390 4.673 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CCCCCCC2)C1 ZINC001360139850 1065036620 /nfs/dbraw/zinc/03/66/20/1065036620.db2.gz VMNKRMVZHMFEIM-LJQANCHMSA-N 1 1 477.495 4.937 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)C1 ZINC001360140209 1065036650 /nfs/dbraw/zinc/03/66/50/1065036650.db2.gz ZHHLHTKGZHVNFH-OAHLLOKOSA-N 1 1 467.565 4.505 20 0 JJADMO 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O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001435876185 1065039044 /nfs/dbraw/zinc/03/90/44/1065039044.db2.gz QZLWOTINNIBEOG-NRFANRHFSA-N 1 1 453.995 4.875 20 0 JJADMO O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001435876186 1065039222 /nfs/dbraw/zinc/03/92/22/1065039222.db2.gz QZLWOTINNIBEOG-OAQYLSRUSA-N 1 1 453.995 4.875 20 0 JJADMO O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001435876186 1065039234 /nfs/dbraw/zinc/03/92/34/1065039234.db2.gz QZLWOTINNIBEOG-OAQYLSRUSA-N 1 1 453.995 4.875 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3ccccc3F)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)C1 ZINC001360141084 1065039513 /nfs/dbraw/zinc/03/95/13/1065039513.db2.gz MAYDFRHWEPOKRR-KDYSTLNUSA-N 1 1 471.665 4.770 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@H](COc3ccccc3)C2)C1 ZINC001360141367 1065039832 /nfs/dbraw/zinc/03/98/32/1065039832.db2.gz ONWOWJMCEOTHTP-GOTSBHOMSA-N 1 1 453.675 4.892 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001360141416 1065040313 /nfs/dbraw/zinc/04/03/13/1065040313.db2.gz OWTXHQXISJKFPS-NRFANRHFSA-N 1 1 490.737 4.823 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@H]3CCCOC3)nnc2N(C)CCCCc2ccccc2)C1 ZINC001360141632 1065041114 /nfs/dbraw/zinc/04/11/14/1065041114.db2.gz QYBJIYVWSUGGIR-DQEYMECFSA-N 1 1 453.675 4.752 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(Cc3cccnc3)nnc2N(C)[C@@H](C)c2cc(F)ccc2F)C1 ZINC001360141915 1065041251 /nfs/dbraw/zinc/04/12/51/1065041251.db2.gz STZZKTHOXIKTNV-PZJWPPBQSA-N 1 1 468.596 4.860 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)C1 ZINC001360141967 1065041633 /nfs/dbraw/zinc/04/16/33/1065041633.db2.gz UDIDEKLSQNKZIF-WMZHIEFXSA-N 1 1 499.647 4.581 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@]2(O)CCC[C@H]2C)CC1 ZINC001360143996 1065045117 /nfs/dbraw/zinc/04/51/17/1065045117.db2.gz QTJAITRPEKAAJO-HXOBKFHXSA-N 1 1 466.457 4.724 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(O)CCC[C@H]2C)CC1 ZINC001360144001 1065045344 /nfs/dbraw/zinc/04/53/44/1065045344.db2.gz QTJAITRPEKAAJO-UZUQRXQVSA-N 1 1 466.457 4.724 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3c[nH]c4ccccc43)n2CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001360144244 1065046205 /nfs/dbraw/zinc/04/62/05/1065046205.db2.gz CHCWGGXODRYSSP-UHFFFAOYSA-N 1 1 495.672 4.604 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(C(C)(C)C)n2CCc2csc(-c3ccccc3)n2)CC1 ZINC001360144236 1065046336 /nfs/dbraw/zinc/04/63/36/1065046336.db2.gz XKJITPABUZNUMM-UHFFFAOYSA-N 1 1 452.672 4.862 20 0 JJADMO Cc1ccccc1-n1ncc(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)c1C(F)(F)F ZINC001360148763 1065051488 /nfs/dbraw/zinc/05/14/88/1065051488.db2.gz MYFGNHMEHMZEGJ-KRWDZBQOSA-N 1 1 458.484 4.845 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)Cc1cc(OC)ccc1Br ZINC001435900166 1065052784 /nfs/dbraw/zinc/05/27/84/1065052784.db2.gz FHEPWCLIOVUBPK-DENIHFKCSA-N 1 1 459.428 4.964 20 0 JJADMO 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C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(CC(C)(C)C)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001360428646 1065301509 /nfs/dbraw/zinc/30/15/09/1065301509.db2.gz NMUKIMJNYSBFON-ICSRJNTNSA-N 1 1 463.617 4.579 20 0 JJADMO CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)c1ccc(O[C@H]2CCOC2)cc1 ZINC001436429373 1065317174 /nfs/dbraw/zinc/31/71/74/1065317174.db2.gz DUJLRBDFJVTTKE-BDYUSTAISA-N 1 1 450.623 4.660 20 0 JJADMO O=C(c1cccc(OC(F)F)c1)N(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001436450579 1065322085 /nfs/dbraw/zinc/32/20/85/1065322085.db2.gz RZJIYGLJJBNQFL-QHCPKHFHSA-N 1 1 451.517 4.990 20 0 JJADMO COC(=O)c1ccc2c(c1)CCC[C@@H]2OC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC001436464628 1065325162 /nfs/dbraw/zinc/32/51/62/1065325162.db2.gz FQCYNYXGFBSFCP-CLOONOSVSA-N 1 1 451.563 4.961 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC3(Cc4ccccc4Br)CC3)cc2)C[C@H](C)O1 ZINC001436525703 1065343513 /nfs/dbraw/zinc/34/35/13/1065343513.db2.gz HCESIMSMHTWAEF-HDICACEKSA-N 1 1 457.412 4.563 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC3(Cc4ccccc4Br)CC3)cc2)C[C@H](C)O1 ZINC001436525703 1065343518 /nfs/dbraw/zinc/34/35/18/1065343518.db2.gz HCESIMSMHTWAEF-HDICACEKSA-N 1 1 457.412 4.563 20 0 JJADMO C[C@@H](c1ccccc1F)N(C)c1nnc(-c2cnccn2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001360452581 1065346610 /nfs/dbraw/zinc/34/66/10/1065346610.db2.gz OIOBMLHDGFYKKR-IBGZPJMESA-N 1 1 451.594 4.726 20 0 JJADMO C[C@@H](c1ccccc1F)N(C)c1nnc(Cc2cccnc2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360454176 1065350622 /nfs/dbraw/zinc/35/06/22/1065350622.db2.gz FBVGMKLLQRKVPG-FQEVSTJZSA-N 1 1 450.606 4.722 20 0 JJADMO C[C@@H](c1ccccc1F)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360454440 1065352165 /nfs/dbraw/zinc/35/21/65/1065352165.db2.gz JXYHGCOQJMOCJN-IBGZPJMESA-N 1 1 498.672 4.728 20 0 JJADMO C[C@H](c1ccco1)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001360455026 1065354009 /nfs/dbraw/zinc/35/40/09/1065354009.db2.gz XWQHZSIWLJAEMI-GOSISDBHSA-N 1 1 489.039 4.802 20 0 JJADMO COc1ccc(CCC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1Br ZINC001360455483 1065355444 /nfs/dbraw/zinc/35/54/44/1065355444.db2.gz MRLZLMXEQUEDAV-WIYYLYMNSA-N 1 1 459.428 4.902 20 0 JJADMO C[C@H](Cn1c(-c2ccccc2Br)nnc1N(C)[C@@H](C)c1ccco1)[N@@H+](C)C1CC1 ZINC001360456612 1065356529 /nfs/dbraw/zinc/35/65/29/1065356529.db2.gz RSGDJVYKYCGRBA-CVEARBPZSA-N 1 1 458.404 4.981 20 0 JJADMO C[C@H]1C[C@@H](N(C)C(=O)CN(C(=O)c2ccccc2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001360458890 1065358945 /nfs/dbraw/zinc/35/89/45/1065358945.db2.gz BBADMKFREREECB-HOFKKMOUSA-N 1 1 455.602 4.845 20 0 JJADMO C[C@@H]1C[C@H](N(C)C(=O)COCCc2ccc(Br)cc2)CC[N@H+]1Cc1ccccc1 ZINC001360458964 1065359475 /nfs/dbraw/zinc/35/94/75/1065359475.db2.gz CYLFYPVCJLUGRT-AUSIDOKSSA-N 1 1 459.428 4.520 20 0 JJADMO C[C@H]1C[C@@H](N(C)C(=O)COCCc2ccc(Br)cc2)CC[N@H+]1Cc1ccccc1 ZINC001360458965 1065359740 /nfs/dbraw/zinc/35/97/40/1065359740.db2.gz CYLFYPVCJLUGRT-CVDCTZTESA-N 1 1 459.428 4.520 20 0 JJADMO COc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(OCCOC(C)C)c1 ZINC001360459148 1065360464 /nfs/dbraw/zinc/36/04/64/1065360464.db2.gz FWLHATJJYLASIW-GGAORHGYSA-N 1 1 454.611 4.624 20 0 JJADMO CCc1nc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nn1-c1ccccc1Cl ZINC001360459512 1065361040 /nfs/dbraw/zinc/36/10/40/1065361040.db2.gz JNSFUMNJAMTYET-ICSRJNTNSA-N 1 1 452.002 4.608 20 0 JJADMO C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2CNC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001360459952 1065361859 /nfs/dbraw/zinc/36/18/59/1065361859.db2.gz NNPUUGRUJFNVEA-NFBKMPQASA-N 1 1 451.611 4.836 20 0 JJADMO C[C@@H](c1cccs1)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC[N@@H+]1CCOCC1(C)C ZINC001360460787 1065363801 /nfs/dbraw/zinc/36/38/01/1065363801.db2.gz HJKUMGCZHHRHNA-KRWDZBQOSA-N 1 1 491.608 4.916 20 0 JJADMO C[C@@H](c1cccs1)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC[N@H+]1CCOCC1(C)C ZINC001360460787 1065363811 /nfs/dbraw/zinc/36/38/11/1065363811.db2.gz HJKUMGCZHHRHNA-KRWDZBQOSA-N 1 1 491.608 4.916 20 0 JJADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1csc(-c2cc(Br)cs2)n1 ZINC001436568112 1065369741 /nfs/dbraw/zinc/36/97/41/1065369741.db2.gz VBIQEMMXTWGDMV-CYBMUJFWSA-N 1 1 450.427 4.884 20 0 JJADMO Cc1sc2nc(C)nc(SCC(=O)N3CCC[N@H+](Cc4ccccc4)C[C@H]3C)c2c1C ZINC001360464755 1065373760 /nfs/dbraw/zinc/37/37/60/1065373760.db2.gz GOJOEOZEHDNIKN-MRXNPFEDSA-N 1 1 454.665 4.832 20 0 JJADMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(Cc3cccnc3)n2CCSCC(F)(F)F)CC1 ZINC001360467164 1065380837 /nfs/dbraw/zinc/38/08/37/1065380837.db2.gz LOSMRQJWHNYINR-KRWDZBQOSA-N 1 1 496.628 4.504 20 0 JJADMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCCOCC2CCOCC2)CC1 ZINC001360467111 1065381146 /nfs/dbraw/zinc/38/11/46/1065381146.db2.gz LLHJJYDYJPWSDL-NRFANRHFSA-N 1 1 489.730 4.645 20 0 JJADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(CC3CCCC3)n2CC(F)(F)Br)CC1 ZINC001360467779 1065383074 /nfs/dbraw/zinc/38/30/74/1065383074.db2.gz QWRSCBHRLWCHFY-OAHLLOKOSA-N 1 1 488.446 4.943 20 0 JJADMO Cc1ccc(Br)nc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001436631023 1065408261 /nfs/dbraw/zinc/40/82/61/1065408261.db2.gz HEIRSFSZMCSUOL-LEWJYISDSA-N 1 1 468.370 4.690 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)Cc2cccs2)CC1 ZINC001360500753 1065423087 /nfs/dbraw/zinc/42/30/87/1065423087.db2.gz OITLLSMMTKMHMC-HXUWFJFHSA-N 1 1 471.646 4.857 20 0 JJADMO COCC[N@@H+](C)CCCC1CCN(C(=O)[C@@H](C)Sc2ccc(Br)cc2)CC1 ZINC001545901693 1065442592 /nfs/dbraw/zinc/44/25/92/1065442592.db2.gz UTXLZAAJDPYKIU-QGZVFWFLSA-N 1 1 457.478 4.527 20 0 JJADMO C[C@H](CCn1c([C@@H]2CCOC2)nnc1N1CC=C(C(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001360509368 1065449641 /nfs/dbraw/zinc/44/96/41/1065449641.db2.gz RBTUDBNLTUIRNY-FYYLOGMGSA-N 1 1 451.659 4.875 20 0 JJADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(-c2ccc(OC)cc2)cc1F ZINC001436849013 1065452264 /nfs/dbraw/zinc/45/22/64/1065452264.db2.gz VCVZADFGSRVORC-YIXXDRMTSA-N 1 1 462.565 4.768 20 0 JJADMO C[C@@H](CCn1c(CC2CC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360510312 1065453357 /nfs/dbraw/zinc/45/33/57/1065453357.db2.gz HWEZVAVGZLEQAK-XUZZJYLKSA-N 1 1 496.700 4.635 20 0 JJADMO C[C@H](CCn1c(CC2CC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360510313 1065453508 /nfs/dbraw/zinc/45/35/08/1065453508.db2.gz HWEZVAVGZLEQAK-ZJSXRUAMSA-N 1 1 496.700 4.635 20 0 JJADMO C[C@H](CCn1c(CC(C)(C)C)nnc1N1CCN(CCc2cccs2)CC1)[NH+]1CCCCC1 ZINC001360510946 1065455657 /nfs/dbraw/zinc/45/56/57/1065455657.db2.gz RNLHNBQBWFMLJT-JOCHJYFZSA-N 1 1 472.747 4.557 20 0 JJADMO C[C@H](CCn1c(CC(C)(C)C)nnc1N1CCC(O)(C(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC001360511781 1065458197 /nfs/dbraw/zinc/45/81/97/1065458197.db2.gz ZVZWCRFTKUDOOB-LJQANCHMSA-N 1 1 481.607 4.671 20 0 JJADMO C[C@H](CCn1c(N2CCCN(CC(F)(F)F)CC2)nnc1C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001360511741 1065458236 /nfs/dbraw/zinc/45/82/36/1065458236.db2.gz ZNAHAPHRVYTCRL-HXUWFJFHSA-N 1 1 480.623 4.561 20 0 JJADMO CCCOc1c(Br)cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)cc1OC ZINC001436930304 1065473888 /nfs/dbraw/zinc/47/38/88/1065473888.db2.gz GGPYDURKJSGWRU-NQIIRXRSSA-N 1 1 473.411 4.593 20 0 JJADMO COc1ccc(-c2nc(C)sc2CC(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)cc1 ZINC001436951510 1065479205 /nfs/dbraw/zinc/47/92/05/1065479205.db2.gz AZQFNWSIKJKCAD-UHFFFAOYSA-N 1 1 456.637 4.921 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccsc2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001545903765 1065490957 /nfs/dbraw/zinc/49/09/57/1065490957.db2.gz HXSDVJRUQDBAFN-DENIHFKCSA-N 1 1 472.703 4.864 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N(C)C[C@H](C)c1nccs1 ZINC001360520375 1065492228 /nfs/dbraw/zinc/49/22/28/1065492228.db2.gz FNTYCDJTVIBFTC-IBGZPJMESA-N 1 1 463.655 4.858 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2cccc(OC)c2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001545904339 1065503540 /nfs/dbraw/zinc/50/35/40/1065503540.db2.gz SKIPTUAKBAMLST-BWKNWUBXSA-N 1 1 496.700 4.667 20 0 JJADMO O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001545904928 1065509877 /nfs/dbraw/zinc/50/98/77/1065509877.db2.gz KDWMJZWYHJBBEZ-ACJLOTCBSA-N 1 1 450.423 4.578 20 0 JJADMO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1nc(-c2cccnc2Cl)ns1 ZINC001437135600 1065511878 /nfs/dbraw/zinc/51/18/78/1065511878.db2.gz STLXQSXUBHQJBV-OAHLLOKOSA-N 1 1 457.987 4.759 20 0 JJADMO C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCC(F)(F)F)CC1CC1)[N@@H+](C)C1CC1 ZINC001360535871 1065517998 /nfs/dbraw/zinc/51/79/98/1065517998.db2.gz RMFDEOGQANXUQB-ZDUSSCGKSA-N 1 1 489.384 4.687 20 0 JJADMO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@H]1CCOC1)[N@@H+](C)Cc1ccccc1 ZINC001360540556 1065525570 /nfs/dbraw/zinc/52/55/70/1065525570.db2.gz HGRAOTWFKYHICG-AEFFLSMTSA-N 1 1 490.471 4.515 20 0 JJADMO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H]1CCOC1)[N@@H+](C)Cc1ccccc1 ZINC001360540560 1065525601 /nfs/dbraw/zinc/52/56/01/1065525601.db2.gz HGRAOTWFKYHICG-SJLPKXTDSA-N 1 1 490.471 4.515 20 0 JJADMO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H]1CCOC1)[N@@H+](C)Cc1ccccc1 ZINC001360540558 1065525713 /nfs/dbraw/zinc/52/57/13/1065525713.db2.gz HGRAOTWFKYHICG-FUHWJXTLSA-N 1 1 490.471 4.515 20 0 JJADMO C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C(F)(F)F)C1)[N@@H+](C)C1CC1 ZINC001360541131 1065527399 /nfs/dbraw/zinc/52/73/99/1065527399.db2.gz IFCAAMJUWGUGTO-KGLIPLIRSA-N 1 1 459.919 4.999 20 0 JJADMO C[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C)C(C)(C)C1)[NH+]1CCOCC1 ZINC001360542126 1065530975 /nfs/dbraw/zinc/53/09/75/1065530975.db2.gz XSTFQIHPAALWTF-IAGOWNOFSA-N 1 1 466.457 4.845 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001437286551 1065531123 /nfs/dbraw/zinc/53/11/23/1065531123.db2.gz GFAGWVQYFMHYEG-MZURWIMNSA-N 1 1 457.659 4.685 20 0 JJADMO C[C@H](Cn1c(-c2ccccc2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001360544014 1065533077 /nfs/dbraw/zinc/53/30/77/1065533077.db2.gz ADDPQERMIPOZJR-OAQYLSRUSA-N 1 1 496.700 4.901 20 0 JJADMO C[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC[N@H+](C(C)(C)C)CC1)N(C)C(=O)OC(C)(C)C ZINC001360544281 1065533291 /nfs/dbraw/zinc/53/32/91/1065533291.db2.gz FUQQVMSKOVPQGI-IBGZPJMESA-N 1 1 488.652 4.650 20 0 JJADMO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](C(F)F)C1)[N@@H+](C)C1CC1 ZINC001360544422 1065533815 /nfs/dbraw/zinc/53/38/15/1065533815.db2.gz IVZXKBIKEQPAEC-LSDHHAIUSA-N 1 1 468.390 4.672 20 0 JJADMO C[C@H](Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H](C(F)F)C1)[N@@H+](C)C1CC1 ZINC001360544419 1065533852 /nfs/dbraw/zinc/53/38/52/1065533852.db2.gz IVZXKBIKEQPAEC-CABCVRRESA-N 1 1 468.390 4.672 20 0 JJADMO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001360545064 1065535655 /nfs/dbraw/zinc/53/56/55/1065535655.db2.gz WBJSAHQBMJVDAR-PKOBYXMFSA-N 1 1 490.490 4.974 20 0 JJADMO C[C@@H]1CN(C(=O)Cc2c(F)ccc(Br)c2F)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001437319414 1065536805 /nfs/dbraw/zinc/53/68/05/1065536805.db2.gz QQYWSNUHUHOMOX-OWCLPIDISA-N 1 1 451.355 4.780 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC3(c4ccccc4Br)CCC3)cc2)C[C@H](C)O1 ZINC001437319577 1065537240 /nfs/dbraw/zinc/53/72/40/1065537240.db2.gz LHFJHPYBSABTOW-HDICACEKSA-N 1 1 457.412 4.868 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC3(c4ccccc4Br)CCC3)cc2)C[C@H](C)O1 ZINC001437319577 1065537258 /nfs/dbraw/zinc/53/72/58/1065537258.db2.gz LHFJHPYBSABTOW-HDICACEKSA-N 1 1 457.412 4.868 20 0 JJADMO CC(C)(C)c1ccc(OCCCC(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001437376470 1065544685 /nfs/dbraw/zinc/54/46/85/1065544685.db2.gz KOKNVNRXCZJOTQ-UIOOFZCWSA-N 1 1 450.623 4.645 20 0 JJADMO Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)Nc1ccc(OCCC[NH+]2CCN(C)CC2)cc1 ZINC001437380523 1065545602 /nfs/dbraw/zinc/54/56/02/1065545602.db2.gz FBOQXDYFSVYUTB-QFIPXVFZSA-N 1 1 453.627 4.541 20 0 JJADMO C[C@@H](Cn1c(C2CCC2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360557768 1065547025 /nfs/dbraw/zinc/54/70/25/1065547025.db2.gz FLRPVTMGTOLHLH-SFTDATJTSA-N 1 1 482.673 4.512 20 0 JJADMO C[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC001360562902 1065553337 /nfs/dbraw/zinc/55/33/37/1065553337.db2.gz GFOBLEUNEQEZMW-FCHUYYIVSA-N 1 1 496.700 4.902 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)c2ccc(F)cc2)CC1 ZINC001360563986 1065554538 /nfs/dbraw/zinc/55/45/38/1065554538.db2.gz NFKSNWKZNUGYOJ-NZQKXSOJSA-N 1 1 457.638 4.672 20 0 JJADMO C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CC(F)(F)F)CC1)[N@@H+](C)C1CC1 ZINC001360569300 1065561978 /nfs/dbraw/zinc/56/19/78/1065561978.db2.gz JLKYDGFLLRZGOY-OAHLLOKOSA-N 1 1 471.518 4.799 20 0 JJADMO C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(F)(F)CC1)[N@@H+](C)C1CC1 ZINC001360583539 1065581511 /nfs/dbraw/zinc/58/15/11/1065581511.db2.gz FZIUZJKKQYXXFL-GOSISDBHSA-N 1 1 461.601 4.873 20 0 JJADMO C[C@@H](Cn1c(COc2ccc(Br)cc2)nnc1N(C)CC1CC(F)(F)C1)[N@@H+](C)C1CC1 ZINC001360584311 1065584179 /nfs/dbraw/zinc/58/41/79/1065584179.db2.gz VFZBCJVVFBTMBK-HNNXBMFYSA-N 1 1 498.416 4.584 20 0 JJADMO CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC001437648752 1065587598 /nfs/dbraw/zinc/58/75/98/1065587598.db2.gz BDJVFYBFWLKEEY-MRXNPFEDSA-N 1 1 456.578 4.936 20 0 JJADMO C[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCOC(C)(C)[C@H]1C)[N@@H+](C)C1CC1 ZINC001360587792 1065590012 /nfs/dbraw/zinc/59/00/12/1065590012.db2.gz PQJGUXSXHDLJFG-DLBZAZTESA-N 1 1 464.079 4.710 20 0 JJADMO C[C@H](Cn1c(Nc2cnn(C)c2)nnc1-c1ccc(Br)s1)[N@@H+](C)Cc1ccccc1 ZINC001360587959 1065590325 /nfs/dbraw/zinc/59/03/25/1065590325.db2.gz VNDKRAPNJMNDIT-OAHLLOKOSA-N 1 1 486.443 4.767 20 0 JJADMO CC(C)[C@@H]1CN(C(=O)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001437721181 1065595760 /nfs/dbraw/zinc/59/57/60/1065595760.db2.gz BHTMSIVBWIIIHE-ZEQRLZLVSA-N 1 1 457.659 4.783 20 0 JJADMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001437813091 1065613410 /nfs/dbraw/zinc/61/34/10/1065613410.db2.gz DWWXIHHJYBBGFX-FQUZAXHOSA-N 1 1 469.670 4.829 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCC/C=C\c3ccc(Br)cc3)cc2)C[C@H](C)O1 ZINC001438016827 1065650873 /nfs/dbraw/zinc/65/08/73/1065650873.db2.gz PFGKTYWMSMZSCN-DKUZWENOSA-N 1 1 457.412 4.892 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCC/C=C\c3ccc(Br)cc3)cc2)C[C@H](C)O1 ZINC001438016827 1065650874 /nfs/dbraw/zinc/65/08/74/1065650874.db2.gz PFGKTYWMSMZSCN-DKUZWENOSA-N 1 1 457.412 4.892 20 0 JJADMO C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(C2CCC2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001360611994 1065651034 /nfs/dbraw/zinc/65/10/34/1065651034.db2.gz WFTUMJNUZLLUSZ-URXFXBBRSA-N 1 1 496.700 4.807 20 0 JJADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001360615000 1065661857 /nfs/dbraw/zinc/66/18/57/1065661857.db2.gz PRCPARQPRKVGAK-RBUKOAKNSA-N 1 1 490.718 4.681 20 0 JJADMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(C(C)(C)C)n2CCC[N@H+]2CCCC[C@H]2C)C1 ZINC001360638806 1065704736 /nfs/dbraw/zinc/70/47/36/1065704736.db2.gz JDJMKPKUHZBZPE-HKBOAZHASA-N 1 1 476.710 4.580 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)[C@H](C[C@H]2CCCO2)C(F)(F)F)cc1 ZINC001438334612 1065711348 /nfs/dbraw/zinc/71/13/48/1065711348.db2.gz MGDLYNSQUUSVFF-NAVOZUGXSA-N 1 1 476.539 4.527 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(C2CCCC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001360640974 1065711609 /nfs/dbraw/zinc/71/16/09/1065711609.db2.gz BENGEEVAUJSTHZ-FQEVSTJZSA-N 1 1 476.710 4.796 20 0 JJADMO Cc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c2cc(Br)ccc2n1 ZINC001438338428 1065711944 /nfs/dbraw/zinc/71/19/44/1065711944.db2.gz WTHWDVKFLWTPOD-VQIMIIECSA-N 1 1 452.396 4.804 20 0 JJADMO Cc1c(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001438347038 1065714066 /nfs/dbraw/zinc/71/40/66/1065714066.db2.gz VMLVJKMIPVVHPI-YLJYHZDGSA-N 1 1 456.512 4.697 20 0 JJADMO Cn1nc2cc(Br)ccc2c1C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001438358775 1065715918 /nfs/dbraw/zinc/71/59/18/1065715918.db2.gz OUPMGRUIWKPKDW-IBGZPJMESA-N 1 1 455.400 4.510 20 0 JJADMO C[C@@H]1CCC[C@@H](OCCCCCC(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@@H+](C)C3)cc2)C1 ZINC001360657827 1065727866 /nfs/dbraw/zinc/72/78/66/1065727866.db2.gz DFGKHKMJASCCMK-NQHRYMMQSA-N 1 1 457.659 4.947 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1C[C@H]1CCC(F)(F)C1 ZINC001545917063 1065734092 /nfs/dbraw/zinc/73/40/92/1065734092.db2.gz WETQKZUTYYNDIG-ROUUACIJSA-N 1 1 494.656 4.577 20 0 JJADMO Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)c2sc(-c3ccccc3)nc2C(F)F)C1 ZINC001438595706 1065734848 /nfs/dbraw/zinc/73/48/48/1065734848.db2.gz QZJUATUEVSEZGI-IBGZPJMESA-N 1 1 457.546 4.687 20 0 JJADMO Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)c2sc(-c3ccccc3)nc2C(F)F)C1 ZINC001438595706 1065734865 /nfs/dbraw/zinc/73/48/65/1065734865.db2.gz QZJUATUEVSEZGI-IBGZPJMESA-N 1 1 457.546 4.687 20 0 JJADMO Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360711428 1065743730 /nfs/dbraw/zinc/74/37/30/1065743730.db2.gz GENDDQOVMLOOAY-HTAPYJJXSA-N 1 1 453.583 4.585 20 0 JJADMO Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360711428 1065743739 /nfs/dbraw/zinc/74/37/39/1065743739.db2.gz GENDDQOVMLOOAY-HTAPYJJXSA-N 1 1 453.583 4.585 20 0 JJADMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(C(=O)C(F)(F)c3ccc(C(C)(C)C)cc3)C2)O1 ZINC001438869469 1065760338 /nfs/dbraw/zinc/76/03/38/1065760338.db2.gz YRZDREHYPSEULB-FNZWTVRRSA-N 1 1 456.577 4.968 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(C(=O)C(F)(F)c3ccc(C(C)(C)C)cc3)C2)O1 ZINC001438869469 1065760351 /nfs/dbraw/zinc/76/03/51/1065760351.db2.gz YRZDREHYPSEULB-FNZWTVRRSA-N 1 1 456.577 4.968 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(C(=O)C(F)(F)c3ccc(C(C)(C)C)cc3)C2)O1 ZINC001438869536 1065760436 /nfs/dbraw/zinc/76/04/36/1065760436.db2.gz YRZDREHYPSEULB-IBVKSMDESA-N 1 1 456.577 4.968 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(C(=O)C(F)(F)c3ccc(C(C)(C)C)cc3)C2)O1 ZINC001438869536 1065760447 /nfs/dbraw/zinc/76/04/47/1065760447.db2.gz YRZDREHYPSEULB-IBVKSMDESA-N 1 1 456.577 4.968 20 0 JJADMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)C(F)(F)c3ccc(C(C)(C)C)cc3)C2)O1 ZINC001438869547 1065760472 /nfs/dbraw/zinc/76/04/72/1065760472.db2.gz YRZDREHYPSEULB-RXFWQSSRSA-N 1 1 456.577 4.968 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)C(F)(F)c3ccc(C(C)(C)C)cc3)C2)O1 ZINC001438869547 1065760487 /nfs/dbraw/zinc/76/04/87/1065760487.db2.gz YRZDREHYPSEULB-RXFWQSSRSA-N 1 1 456.577 4.968 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(C(=O)c3cc(Cl)cc(C(F)(F)F)c3)C2)O1 ZINC001438865135 1065760613 /nfs/dbraw/zinc/76/06/13/1065760613.db2.gz SOCUCSRIHZQFGE-ZHRRBRCNSA-N 1 1 452.904 4.864 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(C(=O)c3cc(Cl)cc(C(F)(F)F)c3)C2)O1 ZINC001438865135 1065760621 /nfs/dbraw/zinc/76/06/21/1065760621.db2.gz SOCUCSRIHZQFGE-ZHRRBRCNSA-N 1 1 452.904 4.864 20 0 JJADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@@H]2CCSC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360736753 1065765681 /nfs/dbraw/zinc/76/56/81/1065765681.db2.gz HAGWCZANNQZAKY-UYAOXDASSA-N 1 1 461.651 4.621 20 0 JJADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2ccoc2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360736919 1065766840 /nfs/dbraw/zinc/76/68/40/1065766840.db2.gz ARWHCETUFAEPGO-LJQANCHMSA-N 1 1 455.578 4.909 20 0 JJADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)C[C@@H]2CCCOC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001360739783 1065771885 /nfs/dbraw/zinc/77/18/85/1065771885.db2.gz WPLWEZYVPOSVFP-RTWAWAEBSA-N 1 1 473.637 4.685 20 0 JJADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)C[C@@H]2CCCOC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001360739784 1065771952 /nfs/dbraw/zinc/77/19/52/1065771952.db2.gz WPLWEZYVPOSVFP-SFTDATJTSA-N 1 1 473.637 4.685 20 0 JJADMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)[C@H]1c1cccs1 ZINC001360740322 1065773557 /nfs/dbraw/zinc/77/35/57/1065773557.db2.gz ADWGJUBEWTZUPF-QAPCUYQASA-N 1 1 455.502 4.672 20 0 JJADMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)[C@@H]1c1cccs1 ZINC001360740320 1065773699 /nfs/dbraw/zinc/77/36/99/1065773699.db2.gz ADWGJUBEWTZUPF-MAUKXSAKSA-N 1 1 455.502 4.672 20 0 JJADMO CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)c1ccc(OCC(=O)OC(C)(C)C)cc1 ZINC001438988765 1065774056 /nfs/dbraw/zinc/77/40/56/1065774056.db2.gz XKZDVRWAIJACSM-QHCPKHFHSA-N 1 1 452.595 4.534 20 0 JJADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(OC(C)(C)C)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001360743803 1065780370 /nfs/dbraw/zinc/78/03/70/1065780370.db2.gz JRUWKIHQDBRHTG-FQEVSTJZSA-N 1 1 471.621 4.603 20 0 JJADMO C[C@@H](Sc1ccc(Br)cc1)C(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001439112017 1065788657 /nfs/dbraw/zinc/78/86/57/1065788657.db2.gz STYLLIVESDGKAK-BOCKYXSRSA-N 1 1 459.453 4.910 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001360747625 1065789963 /nfs/dbraw/zinc/78/99/63/1065789963.db2.gz LINCCAFYGICNQI-GMAHTHKFSA-N 1 1 455.643 4.537 20 0 JJADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCS[C@H](C)[C@H]2C)n1CC[N@@H+](C)C1CCCC1 ZINC001360750849 1065796091 /nfs/dbraw/zinc/79/60/91/1065796091.db2.gz QUOVUYSRLLNEKZ-CEXWTWQISA-N 1 1 461.651 4.762 20 0 JJADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCS[C@@H](C)[C@@H]2C)n1CC[N@@H+](C)C1CCCC1 ZINC001360750850 1065796357 /nfs/dbraw/zinc/79/63/57/1065796357.db2.gz QUOVUYSRLLNEKZ-FHWLQOOXSA-N 1 1 461.651 4.762 20 0 JJADMO CC(C)[N@@H+](C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C1CCC2(CC1)OCCO2 ZINC001360753951 1065802304 /nfs/dbraw/zinc/80/23/04/1065802304.db2.gz LRPWZEIEDQHEIP-IBGZPJMESA-N 1 1 492.064 4.534 20 0 JJADMO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cc1 ZINC001439266175 1065805950 /nfs/dbraw/zinc/80/59/50/1065805950.db2.gz XYBPOLYTUFMLKH-FQEVSTJZSA-N 1 1 453.574 4.541 20 0 JJADMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC001439269795 1065808014 /nfs/dbraw/zinc/80/80/14/1065808014.db2.gz MCPHXQGUSLWYSA-INDMIFKZSA-N 1 1 472.429 4.868 20 0 JJADMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC001439269795 1065808021 /nfs/dbraw/zinc/80/80/21/1065808021.db2.gz MCPHXQGUSLWYSA-INDMIFKZSA-N 1 1 472.429 4.868 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001360755226 1065808154 /nfs/dbraw/zinc/80/81/54/1065808154.db2.gz AUNNZYBPFFZRPZ-PCCBWWKXSA-N 1 1 476.065 4.665 20 0 JJADMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(Br)c(Cl)c1 ZINC001439275417 1065809774 /nfs/dbraw/zinc/80/97/74/1065809774.db2.gz UGJSEFAASYZTAT-RHSMWYFYSA-N 1 1 461.709 4.895 20 0 JJADMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(Br)c(Cl)c1 ZINC001439275417 1065809794 /nfs/dbraw/zinc/80/97/94/1065809794.db2.gz UGJSEFAASYZTAT-RHSMWYFYSA-N 1 1 461.709 4.895 20 0 JJADMO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)c2ccccc2C(C)(C)C)CC1 ZINC001439277002 1065810232 /nfs/dbraw/zinc/81/02/32/1065810232.db2.gz XCMYKHYHEJACGT-OYRHEFFESA-N 1 1 455.643 4.672 20 0 JJADMO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@H](C(F)F)C2)n1CC[N@@H+]1CC=CCC1 ZINC001360759194 1065828593 /nfs/dbraw/zinc/82/85/93/1065828593.db2.gz YWKBTFXQULIRLL-QZTJIDSGSA-N 1 1 465.976 4.815 20 0 JJADMO CC(C)[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1ccsc1)[NH+]1CCOCC1 ZINC001360764437 1065844994 /nfs/dbraw/zinc/84/49/94/1065844994.db2.gz AKGWOICULJRSDM-UGKGYDQZSA-N 1 1 487.645 4.612 20 0 JJADMO CC(C)[N@@H+](C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1ccc(Br)o1 ZINC001360764594 1065845380 /nfs/dbraw/zinc/84/53/80/1065845380.db2.gz CKUYXVBCEJMFHA-INIZCTEOSA-N 1 1 494.409 4.889 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)C[C@@H]2CCCCO2)C1 ZINC001360765305 1065849251 /nfs/dbraw/zinc/84/92/51/1065849251.db2.gz OYGIJGAJAVVGBK-FKBYEOEOSA-N 1 1 473.637 4.683 20 0 JJADMO CC(C)[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CC1CCCCC1)[NH+]1CCOCC1 ZINC001360765622 1065851284 /nfs/dbraw/zinc/85/12/84/1065851284.db2.gz VMCFFHTUGXQBSZ-XUZZJYLKSA-N 1 1 487.664 4.931 20 0 JJADMO CC(C)C1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001360766722 1065853905 /nfs/dbraw/zinc/85/39/05/1065853905.db2.gz BMJNOLWGKGJFRP-HBMCJLEFSA-N 1 1 473.637 4.539 20 0 JJADMO CC(C)C1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001360766722 1065853918 /nfs/dbraw/zinc/85/39/18/1065853918.db2.gz BMJNOLWGKGJFRP-HBMCJLEFSA-N 1 1 473.637 4.539 20 0 JJADMO C[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(Cl)=C(Cl)C1)[N@@H+](C)C1CC1 ZINC001360769620 1065862525 /nfs/dbraw/zinc/86/25/25/1065862525.db2.gz LDSINTJOBHYKRH-HUUCEWRRSA-N 1 1 468.404 4.939 20 0 JJADMO CC(C)[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C)C(C)(C)C1)[NH+]1CCOCC1 ZINC001360769697 1065862702 /nfs/dbraw/zinc/86/27/02/1065862702.db2.gz MAVOCOUPDQQENP-FUPPJEDESA-N 1 1 487.664 4.786 20 0 JJADMO CC(C)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001360770061 1065864745 /nfs/dbraw/zinc/86/47/45/1065864745.db2.gz SFLIGTWAKVHHSH-HXUWFJFHSA-N 1 1 473.637 4.540 20 0 JJADMO CC(C)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001360770061 1065864752 /nfs/dbraw/zinc/86/47/52/1065864752.db2.gz SFLIGTWAKVHHSH-HXUWFJFHSA-N 1 1 473.637 4.540 20 0 JJADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1CCC(C)(C)O ZINC001360774803 1065874809 /nfs/dbraw/zinc/87/48/09/1065874809.db2.gz TZSGPOJCLBMJEW-RBUKOAKNSA-N 1 1 487.645 4.663 20 0 JJADMO COc1ccc(C(C)(C)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1OC ZINC001439819922 1065882202 /nfs/dbraw/zinc/88/22/02/1065882202.db2.gz PKDNPGBCBDKCSD-LOSJGSFVSA-N 1 1 458.602 4.766 20 0 JJADMO CC[C@@H](C)c1nc(C)c(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c(C)n1 ZINC001439824514 1065883208 /nfs/dbraw/zinc/88/32/08/1065883208.db2.gz YOYGUDDKXRNWHA-JAMKYWPSSA-N 1 1 456.634 4.934 20 0 JJADMO CC(=O)Nc1cc(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc(C(F)(F)F)c1 ZINC001440048577 1065907168 /nfs/dbraw/zinc/90/71/68/1065907168.db2.gz TYFSZWPBYUQROK-KAGYGMCKSA-N 1 1 459.512 4.694 20 0 JJADMO CC(C)(C)c1ccc(-c2nnc(N3CCCC(C)(C)C3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001360805506 1065917383 /nfs/dbraw/zinc/91/73/83/1065917383.db2.gz RYOONQLQQBHZPZ-UHFFFAOYSA-N 1 1 453.675 4.980 20 0 JJADMO CC(C)(C)c1ccc(-c2nnc(N3CCCC(C)(C)C3)n2CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001360805506 1065917401 /nfs/dbraw/zinc/91/74/01/1065917401.db2.gz RYOONQLQQBHZPZ-UHFFFAOYSA-N 1 1 453.675 4.980 20 0 JJADMO CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCCC3(C)C)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001360808276 1065920691 /nfs/dbraw/zinc/92/06/91/1065920691.db2.gz JBJFIWHWWZOVTI-UHFFFAOYSA-N 1 1 488.721 4.893 20 0 JJADMO CC(C)(Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCCC(C)(C)C1)[NH+]1CCOCC1 ZINC001360808793 1065922157 /nfs/dbraw/zinc/92/21/57/1065922157.db2.gz USRPMEHGMKSFCC-UHFFFAOYSA-N 1 1 496.483 4.901 20 0 JJADMO CC(C)(C)O[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001360808971 1065923174 /nfs/dbraw/zinc/92/31/74/1065923174.db2.gz XXRSVRUHJPPQIY-XMMPIXPASA-N 1 1 483.701 4.806 20 0 JJADMO Cc1cccc(-c2nc(CC(=O)N[C@@]3(C(F)(F)F)CC[N@H+](Cc4ccccc4)C3)cs2)c1 ZINC001440294877 1065928496 /nfs/dbraw/zinc/92/84/96/1065928496.db2.gz HQOTVUNPVDDSJY-QHCPKHFHSA-N 1 1 459.537 4.984 20 0 JJADMO Cc1cccc(-c2nc(CC(=O)N[C@@]3(C(F)(F)F)CC[N@@H+](Cc4ccccc4)C3)cs2)c1 ZINC001440294877 1065928510 /nfs/dbraw/zinc/92/85/10/1065928510.db2.gz HQOTVUNPVDDSJY-QHCPKHFHSA-N 1 1 459.537 4.984 20 0 JJADMO CCc1cc(C(=O)N[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)ccc1Br ZINC001440298953 1065929313 /nfs/dbraw/zinc/92/93/13/1065929313.db2.gz POEUPTPDGABHOV-HXUWFJFHSA-N 1 1 455.318 4.948 20 0 JJADMO CCc1cc(C(=O)N[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)ccc1Br ZINC001440298953 1065929320 /nfs/dbraw/zinc/92/93/20/1065929320.db2.gz POEUPTPDGABHOV-HXUWFJFHSA-N 1 1 455.318 4.948 20 0 JJADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2OCCC2(C)C)CC1 ZINC001360817840 1065931156 /nfs/dbraw/zinc/93/11/56/1065931156.db2.gz YGAOGTLVSQVSFH-QGZVFWFLSA-N 1 1 496.519 4.895 20 0 JJADMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001440392405 1065937436 /nfs/dbraw/zinc/93/74/36/1065937436.db2.gz YYBUKDXARGEWDR-HXUWFJFHSA-N 1 1 450.004 4.508 20 0 JJADMO Cc1ccccc1C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2Cl)CC1 ZINC001440437336 1065940696 /nfs/dbraw/zinc/94/06/96/1065940696.db2.gz RGMFKJKRPCIUPX-UHFFFAOYSA-N 1 1 458.002 4.882 20 0 JJADMO C[N@@H+](CCCNC(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1)C1CCCCC1 ZINC001440617669 1065954755 /nfs/dbraw/zinc/95/47/55/1065954755.db2.gz NAPRQBGSZIHNGD-UHFFFAOYSA-N 1 1 456.940 4.988 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2oc3ccccc3c2CSc2ccccc2F)C1 ZINC001440676362 1065962946 /nfs/dbraw/zinc/96/29/46/1065962946.db2.gz NMANMLVRBMBLOQ-GOSISDBHSA-N 1 1 456.583 4.951 20 0 JJADMO Nc1c(Cl)cc(Cl)cc1C(=O)NN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC001440679298 1065964462 /nfs/dbraw/zinc/96/44/62/1065964462.db2.gz FPCGSMRHNBBMRN-UHFFFAOYSA-N 1 1 455.389 4.628 20 0 JJADMO O=C(NN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1cc(F)cc(C(F)(F)F)c1 ZINC001440683070 1065966032 /nfs/dbraw/zinc/96/60/32/1065966032.db2.gz XHCQKUWUWPNOQZ-UHFFFAOYSA-N 1 1 457.471 4.897 20 0 JJADMO COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001440708642 1065968649 /nfs/dbraw/zinc/96/86/49/1065968649.db2.gz UDCXAAASSCVLCE-KRWDZBQOSA-N 1 1 459.974 4.700 20 0 JJADMO COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001440708647 1065968720 /nfs/dbraw/zinc/96/87/20/1065968720.db2.gz UDCXAAASSCVLCE-QGZVFWFLSA-N 1 1 459.974 4.700 20 0 JJADMO CC1=C(Br)CN(c2nnc(C3CCCC3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001360853870 1065971238 /nfs/dbraw/zinc/97/12/38/1065971238.db2.gz POOZEABORJRPPI-UHFFFAOYSA-N 1 1 450.469 4.937 20 0 JJADMO O=C(c1c(F)ccc(C(F)(F)F)c1Br)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001440733586 1065972007 /nfs/dbraw/zinc/97/20/07/1065972007.db2.gz LPEXCIYBEDBNQW-UHFFFAOYSA-N 1 1 459.281 4.955 20 0 JJADMO COc1cc(C)c(Br)cc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001440736858 1065973175 /nfs/dbraw/zinc/97/31/75/1065973175.db2.gz GCAOJSQBNIYQIA-IBGZPJMESA-N 1 1 451.792 4.986 20 0 JJADMO COc1cc(C)c(Br)cc1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001440736859 1065973515 /nfs/dbraw/zinc/97/35/15/1065973515.db2.gz GCAOJSQBNIYQIA-LJQANCHMSA-N 1 1 451.792 4.986 20 0 JJADMO CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001440776936 1065978281 /nfs/dbraw/zinc/97/82/81/1065978281.db2.gz BFGRTZPZAVOPCC-QZTJIDSGSA-N 1 1 457.640 4.741 20 0 JJADMO C[C@@H]1C[N@H+](CCCNC(=O)[C@H](Oc2cccc(Cl)c2Cl)c2ccccc2)C[C@H](C)O1 ZINC001440821699 1065981474 /nfs/dbraw/zinc/98/14/74/1065981474.db2.gz AYINVYKRSHEEFT-HYFFOGBASA-N 1 1 451.394 4.729 20 0 JJADMO Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCCC[N@@H+]2CCCC[C@@H]2C)c1C ZINC001360864777 1065983020 /nfs/dbraw/zinc/98/30/20/1065983020.db2.gz IHJJGCMTMUSQJW-DHLKQENFSA-N 1 1 496.700 4.866 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H]3CCOC3)n2CCC[N@H+]2CCCC[C@@H]2C)c1C ZINC001360865571 1065984705 /nfs/dbraw/zinc/98/47/05/1065984705.db2.gz DOGLSTUGQDJICA-WWNPGLIZSA-N 1 1 455.647 4.525 20 0 JJADMO Cc1nn(C)c(C)c1CN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[N@H+]1CCC[C@H]1C ZINC001360865821 1065985918 /nfs/dbraw/zinc/98/59/18/1065985918.db2.gz JAFBEOWIKRJODG-XXBNENTESA-N 1 1 479.673 4.506 20 0 JJADMO COc1ccc(C[N@H+]2CCCN(C(=O)CCCOc3cccc(Cl)c3Cl)CC2)cc1 ZINC001440870793 1065986540 /nfs/dbraw/zinc/98/65/40/1065986540.db2.gz JSUIIGWNTITLET-UHFFFAOYSA-N 1 1 451.394 4.896 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@@H]1CCSC1 ZINC001360866124 1065987657 /nfs/dbraw/zinc/98/76/57/1065987657.db2.gz NDQVXQGLKWMGLA-RBBKRZOGSA-N 1 1 468.671 4.962 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccon3)n2CC[N@@H+](C)C2CCCCC2)c1C ZINC001360868768 1065994053 /nfs/dbraw/zinc/99/40/53/1065994053.db2.gz JTDGCWJRAFPSEA-NRFANRHFSA-N 1 1 466.630 4.924 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)OC(C)(C)C3)n2CC[N@@H+](C)C2CCCC2)c1C ZINC001360868877 1065994566 /nfs/dbraw/zinc/99/45/66/1065994566.db2.gz CBUFDASDXSGVAG-RBBKRZOGSA-N 1 1 469.674 4.913 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)OC4(CCOCC4)C3)n2CCC[N@H+](C)C(C)C)c1C ZINC001360868923 1065995040 /nfs/dbraw/zinc/99/50/40/1065995040.db2.gz CGLDXYOREJFFGX-LADGPHEKSA-N 1 1 499.700 4.540 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCC(C)C)c1C ZINC001360869105 1065995903 /nfs/dbraw/zinc/99/59/03/1065995903.db2.gz MEASJHJPKWXYJX-FUPPJEDESA-N 1 1 457.663 4.626 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCC(C)C)c1C ZINC001360869105 1065995913 /nfs/dbraw/zinc/99/59/13/1065995913.db2.gz MEASJHJPKWXYJX-FUPPJEDESA-N 1 1 457.663 4.626 20 0 JJADMO C[N@@H+](Cc1ccccc1NC(=O)CNC(=O)c1ccc(Br)cc1)C1CCCCC1 ZINC001440943934 1065996317 /nfs/dbraw/zinc/99/63/17/1065996317.db2.gz VTZHTISFZMTYJT-UHFFFAOYSA-N 1 1 458.400 4.582 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CC[N@H+](C)C(C)C)c1C ZINC001360869780 1065999140 /nfs/dbraw/zinc/99/91/40/1065999140.db2.gz JZIOXOGHEKWZEE-DSKINZAPSA-N 1 1 483.579 4.531 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccco3)n2CC[N@H+]2CCC[C@@H](C)C2)c1C ZINC001360870772 1066002895 /nfs/dbraw/zinc/00/28/95/1066002895.db2.gz ZBCRISQTYAOSDS-DENIHFKCSA-N 1 1 451.615 4.996 20 0 JJADMO CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001441044764 1066003087 /nfs/dbraw/zinc/00/30/87/1066003087.db2.gz PQEBHSCVXUPTHD-BJKOFHAPSA-N 1 1 469.507 4.854 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccco3)n2CC[N@H+]2CCC[C@H](C)C2)c1C ZINC001360870774 1066003735 /nfs/dbraw/zinc/00/37/35/1066003735.db2.gz ZBCRISQTYAOSDS-SIKLNZKXSA-N 1 1 451.615 4.996 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](OCC(C)C)C3)n2CC[N@H+]2CCC[C@@H]2C)c1C ZINC001360872976 1066007490 /nfs/dbraw/zinc/00/74/90/1066007490.db2.gz DGMAUNFVJWUAIL-QPTUXGOLSA-N 1 1 469.674 4.771 20 0 JJADMO O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001441193292 1066014708 /nfs/dbraw/zinc/01/47/08/1066014708.db2.gz CHPOBPKWSZKRFW-RCCFBDPRSA-N 1 1 450.467 4.967 20 0 JJADMO CCOC(=O)COc1ccc(OC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1 ZINC001360875998 1066019981 /nfs/dbraw/zinc/01/99/81/1066019981.db2.gz FCLDDWKQBWQFDI-GGXMVOPNSA-N 1 1 473.569 4.624 20 0 JJADMO Cc1cccc(COc2cccc(C(=O)NCCC[N@@H+]3CCN(C)C[C@H]3c3ccccc3)c2)c1 ZINC001441247763 1066020001 /nfs/dbraw/zinc/02/00/01/1066020001.db2.gz SXDOYBQXGXAXSM-NDEPHWFRSA-N 1 1 457.618 4.683 20 0 JJADMO Cc1cccc(COc2cccc(C(=O)NCCCN3CC[N@@H+](C)C[C@H]3c3ccccc3)c2)c1 ZINC001441247763 1066020013 /nfs/dbraw/zinc/02/00/13/1066020013.db2.gz SXDOYBQXGXAXSM-NDEPHWFRSA-N 1 1 457.618 4.683 20 0 JJADMO Cc1cccc(COc2cccc(C(=O)NCCCN3CC[N@H+](C)C[C@H]3c3ccccc3)c2)c1 ZINC001441247763 1066020025 /nfs/dbraw/zinc/02/00/25/1066020025.db2.gz SXDOYBQXGXAXSM-NDEPHWFRSA-N 1 1 457.618 4.683 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCC=C(Br)C3)n2CC[N@H+](C)C(C)C)c1C ZINC001360875847 1066020113 /nfs/dbraw/zinc/02/01/13/1066020113.db2.gz ZQILQIJDSPIDSN-LJQANCHMSA-N 1 1 476.463 4.864 20 0 JJADMO CCN(CC)C(=O)COc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1Cl ZINC001441293000 1066023205 /nfs/dbraw/zinc/02/32/05/1066023205.db2.gz GITCWQIUKGRGKJ-QFIPXVFZSA-N 1 1 458.002 4.580 20 0 JJADMO CCN(CC)C(=O)COc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1Cl ZINC001441293000 1066023211 /nfs/dbraw/zinc/02/32/11/1066023211.db2.gz GITCWQIUKGRGKJ-QFIPXVFZSA-N 1 1 458.002 4.580 20 0 JJADMO CCN1CC[NH+](Cc2ccc(NC(=O)c3ccc(Br)c(Cl)c3F)cc2)CC1 ZINC001441311341 1066024995 /nfs/dbraw/zinc/02/49/95/1066024995.db2.gz LBEYOICFOFCPAB-UHFFFAOYSA-N 1 1 454.771 4.631 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](Cc4ccsc4)CC3)n2C[C@](C)(O)C(C)C)c1C ZINC001360878287 1066025374 /nfs/dbraw/zinc/02/53/74/1066025374.db2.gz TZDMKBOPAYLVPS-CUNXSJBXSA-N 1 1 497.709 4.826 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C)C3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC001360878873 1066027731 /nfs/dbraw/zinc/02/77/31/1066027731.db2.gz BOOJLVXDRWFMKD-JXKFMYIUSA-N 1 1 469.674 4.628 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@H](C)[N@@H+](C)C2CC2)c1C ZINC001360879593 1066031249 /nfs/dbraw/zinc/03/12/49/1066031249.db2.gz 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C[C@H](NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360964109 1066123270 /nfs/dbraw/zinc/12/32/70/1066123270.db2.gz NBKGZMYUIVAPSH-AVRWGWEMSA-N 1 1 452.501 4.776 20 0 JJADMO C[C@H](NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360964110 1066123284 /nfs/dbraw/zinc/12/32/84/1066123284.db2.gz NBKGZMYUIVAPSH-BVZFJXPGSA-N 1 1 452.501 4.776 20 0 JJADMO C[C@H](NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360964110 1066123288 /nfs/dbraw/zinc/12/32/88/1066123288.db2.gz NBKGZMYUIVAPSH-BVZFJXPGSA-N 1 1 452.501 4.776 20 0 JJADMO CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)C1 ZINC001442427260 1066126921 /nfs/dbraw/zinc/12/69/21/1066126921.db2.gz GITPVHZPPZIDAZ-HNAYVOBHSA-N 1 1 458.430 4.750 20 0 JJADMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1c2c(sc1NC(=O)c1cccnc1)CCCC2 ZINC001442518792 1066132038 /nfs/dbraw/zinc/13/20/38/1066132038.db2.gz DPQFPUMJAQLCKP-IBGZPJMESA-N 1 1 454.640 4.659 20 0 JJADMO Cc1c(Cn2c(N(C)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)cnn1CC(C)C ZINC001360977228 1066134276 /nfs/dbraw/zinc/13/42/76/1066134276.db2.gz IZSVNCSDKRIMTB-RUZDIDTESA-N 1 1 477.701 4.886 20 0 JJADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C(C)C)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001360983656 1066143910 /nfs/dbraw/zinc/14/39/10/1066143910.db2.gz DQCXBRPUPDJRLK-BGYRXZFFSA-N 1 1 468.690 4.850 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@@H]2CCSC2)n1CC[N@H+](C)C(C)C ZINC001360986856 1066155310 /nfs/dbraw/zinc/15/53/10/1066155310.db2.gz NUBMVCMXMGMMTQ-AZUAARDMSA-N 1 1 466.095 4.970 20 0 JJADMO CC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001442757005 1066157209 /nfs/dbraw/zinc/15/72/09/1066157209.db2.gz AXUVDPFYIMGDPT-IBGZPJMESA-N 1 1 456.384 4.648 20 0 JJADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC(C)C)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001360987210 1066157600 /nfs/dbraw/zinc/15/76/00/1066157600.db2.gz UWZLTUCKYSFRIX-OYRHEFFESA-N 1 1 468.690 4.536 20 0 JJADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)c1 ZINC001442761399 1066157934 /nfs/dbraw/zinc/15/79/34/1066157934.db2.gz VCKREFOGVKYRTN-UHFFFAOYSA-N 1 1 457.574 4.666 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCCC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001360989455 1066161427 /nfs/dbraw/zinc/16/14/27/1066161427.db2.gz FMUNLKNJWVGKMD-RBBKRZOGSA-N 1 1 476.065 4.525 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@@H](C(C)C)C2)n1CCC[NH+]1CCOCC1 ZINC001360989663 1066162843 /nfs/dbraw/zinc/16/28/43/1066162843.db2.gz IWKCNQHRHLDLDR-FCHUYYIVSA-N 1 1 490.092 4.893 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)[C@@H](C)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001360990213 1066166533 /nfs/dbraw/zinc/16/65/33/1066166533.db2.gz RCKOVOFHIPYIBV-QXUYBEEESA-N 1 1 490.092 4.627 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCO[C@H](C(C)C)C2)n1CC[N@@H+](C)C(C)C ZINC001360991494 1066169978 /nfs/dbraw/zinc/16/99/78/1066169978.db2.gz DCUXNOWLWWHSFU-IRLDBZIGSA-N 1 1 478.081 4.890 20 0 JJADMO Cc1cc(C(=O)NC2CCN(c3nnc(C(C)C)n3C[C@@H](C)[N@@H+](C)Cc3ccccc3)CC2)c(C)o1 ZINC001360994388 1066173593 /nfs/dbraw/zinc/17/35/93/1066173593.db2.gz JQGRHOWFWSZZGX-HXUWFJFHSA-N 1 1 492.668 4.531 20 0 JJADMO Cc1cc(C(=O)NC2CCN(c3nnc(-c4cccc(Cl)c4)n3CC[N@H+](C)C(C)C)CC2)c(C)o1 ZINC001360994883 1066174085 /nfs/dbraw/zinc/17/40/85/1066174085.db2.gz DEPJLDDKYSCEKK-UHFFFAOYSA-N 1 1 499.059 4.547 20 0 JJADMO Cc1cc(C(=O)NC2CCN(c3nnc(-c4ccccc4C)n3CCC[N@H+](C)C(C)C)CC2)c(C)o1 ZINC001360995417 1066174531 /nfs/dbraw/zinc/17/45/31/1066174531.db2.gz VKVMDESTLAMPAN-UHFFFAOYSA-N 1 1 492.668 4.592 20 0 JJADMO Cc1cc([C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c2ccccc2Cl)ccc1F ZINC001360995801 1066174829 /nfs/dbraw/zinc/17/48/29/1066174829.db2.gz POQJOQVALFIJFO-DQEYMECFSA-N 1 1 452.957 4.894 20 0 JJADMO Cc1cc([C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c2ccccc2Cl)ccc1F ZINC001360995801 1066174830 /nfs/dbraw/zinc/17/48/30/1066174830.db2.gz POQJOQVALFIJFO-DQEYMECFSA-N 1 1 452.957 4.894 20 0 JJADMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)[C@@H]1c1cccs1 ZINC001360996177 1066174901 /nfs/dbraw/zinc/17/49/01/1066174901.db2.gz CXIOWDBBGCJGNY-SIKLNZKXSA-N 1 1 455.624 4.859 20 0 JJADMO Cc1cc([C@](C)(O)Cn2c(CC3CCCC3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)c(C)o1 ZINC001361003121 1066180473 /nfs/dbraw/zinc/18/04/73/1066180473.db2.gz OSPOIOGRIFSCQG-HHHXNRCGSA-N 1 1 471.690 4.685 20 0 JJADMO Cc1cc(C)c(NC(=O)CN(C)c2nnc(CC(C)C)n2CC[N@H+]2CCCC(C)(C)C2)c(C)c1 ZINC001361014850 1066202184 /nfs/dbraw/zinc/20/21/84/1066202184.db2.gz UPMDARIZMUKJAS-UHFFFAOYSA-N 1 1 468.690 4.599 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N(C)[C@@H]3CCSC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001361018312 1066207921 /nfs/dbraw/zinc/20/79/21/1066207921.db2.gz LCJBXSIIKPMETQ-FCHUYYIVSA-N 1 1 457.688 4.536 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N(C)[C@@H]3CCSC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001361018316 1066208004 /nfs/dbraw/zinc/20/80/04/1066208004.db2.gz LCJBXSIIKPMETQ-FGZHOGPDSA-N 1 1 457.688 4.536 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N(C)CC(C)C)n2CC[N@@H+]2CCc3sccc3C2)c1 ZINC001361021075 1066212924 /nfs/dbraw/zinc/21/29/24/1066212924.db2.gz QCJJDKIGELPFFK-UHFFFAOYSA-N 1 1 453.656 4.686 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N(C)CC(C)C)n2CC[N@H+]2CCc3sccc3C2)c1 ZINC001361021075 1066212933 /nfs/dbraw/zinc/21/29/33/1066212933.db2.gz QCJJDKIGELPFFK-UHFFFAOYSA-N 1 1 453.656 4.686 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N(C)CC3CCCCC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC001361022309 1066217477 /nfs/dbraw/zinc/21/74/77/1066217477.db2.gz MMWOYBFXKQIXOZ-UHFFFAOYSA-N 1 1 482.717 4.516 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N(C)CCC(F)(F)F)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001361022558 1066217881 /nfs/dbraw/zinc/21/78/81/1066217881.db2.gz UWLSSXNLRPOFMC-PXNSSMCTSA-N 1 1 467.580 4.983 20 0 JJADMO CC[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)Cc3ccccc3Oc3ccc(C)cc3)C2)ccn1 ZINC001454018452 1066235806 /nfs/dbraw/zinc/23/58/06/1066235806.db2.gz XGTORBHWAUMIOW-SANMLTNESA-N 1 1 459.590 4.856 20 0 JJADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2cccc(OCc3cccc(Cl)c3)c2)CC1 ZINC001443016667 1066253961 /nfs/dbraw/zinc/25/39/61/1066253961.db2.gz QZFNNLOFPFJTPQ-OYRHEFFESA-N 1 1 456.030 4.550 20 0 JJADMO CC[C@@H](C)c1nnc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1C[C@H](CC)NC(=O)OC(C)(C)C ZINC001545953127 1066254277 /nfs/dbraw/zinc/25/42/77/1066254277.db2.gz UKKRKAAURUHFJF-AZOUXBGGSA-N 1 1 496.700 4.663 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001361038250 1066256628 /nfs/dbraw/zinc/25/66/28/1066256628.db2.gz GMFKBMJUQLUJHR-HSZRJFAPSA-N 1 1 468.671 4.647 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2CCC[N@H+]2CCCC[C@H]2C)c1 ZINC001361038780 1066258510 /nfs/dbraw/zinc/25/85/10/1066258510.db2.gz OVJQEPXESCSWOC-ILBGXUMGSA-N 1 1 469.674 4.600 20 0 JJADMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(F)c1Sc1ccccc1 ZINC001454269986 1066261359 /nfs/dbraw/zinc/26/13/59/1066261359.db2.gz OMFHLTGHCOQPRD-SANMLTNESA-N 1 1 450.579 4.686 20 0 JJADMO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3cnc(-c4ccccc4Br)s3)C2)c1 ZINC001454310758 1066268508 /nfs/dbraw/zinc/26/85/08/1066268508.db2.gz IOOJOEWDWIYRLA-KRWDZBQOSA-N 1 1 456.409 4.885 20 0 JJADMO Cc1cc(-c2nnc(N(C)CCC(F)(F)F)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c2ccccc2n1 ZINC001361045688 1066271183 /nfs/dbraw/zinc/27/11/83/1066271183.db2.gz FVUPXDOFLVEDSI-IBGZPJMESA-N 1 1 490.574 4.547 20 0 JJADMO Cc1ncsc1CN(C)c1nnc(-c2cc(C)nc3ccccc32)n1CCC[N@H+](C)C(C)C ZINC001361046077 1066273609 /nfs/dbraw/zinc/27/36/09/1066273609.db2.gz UKWCLUIABFPRBC-UHFFFAOYSA-N 1 1 463.655 4.933 20 0 JJADMO CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)N1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001454394096 1066276749 /nfs/dbraw/zinc/27/67/49/1066276749.db2.gz ANJUVVCBVAADJL-WMPKNSHKSA-N 1 1 457.659 4.688 20 0 JJADMO Cc1ccc(-n2ncc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)c2C(F)(F)F)cc1 ZINC001361047975 1066276911 /nfs/dbraw/zinc/27/69/11/1066276911.db2.gz NTPAJEOOAMRQGW-AVRDEDQJSA-N 1 1 456.512 4.840 20 0 JJADMO 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C[C@]1(c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCC(=O)c1ccc(Cl)cc1F ZINC001454540096 1066297780 /nfs/dbraw/zinc/29/77/80/1066297780.db2.gz HWPVEMIHNYIPMD-YIXXDRMTSA-N 1 1 464.968 4.868 20 0 JJADMO Cc1cccc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001361060153 1066299522 /nfs/dbraw/zinc/29/95/22/1066299522.db2.gz KQPQNCTZJNGSBI-LADGPHEKSA-N 1 1 496.700 4.822 20 0 JJADMO CC[C@H](Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)OC ZINC001545957435 1066301993 /nfs/dbraw/zinc/30/19/93/1066301993.db2.gz VULOMRYGUPOJAS-QGZVFWFLSA-N 1 1 492.089 4.785 20 0 JJADMO CC[C@H](Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)OC ZINC001545957435 1066302007 /nfs/dbraw/zinc/30/20/07/1066302007.db2.gz VULOMRYGUPOJAS-QGZVFWFLSA-N 1 1 492.089 4.785 20 0 JJADMO Cc1cc(CN(C)c2nnc(CCCc3ccccc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)no1 ZINC001361064814 1066304173 /nfs/dbraw/zinc/30/41/73/1066304173.db2.gz SMUJEISCMBSQDJ-QHCPKHFHSA-N 1 1 450.631 4.507 20 0 JJADMO CC[C@@]1(C)CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001546063737 1066309195 /nfs/dbraw/zinc/30/91/95/1066309195.db2.gz BKKKDTOWKJZDAC-GJZUVCINSA-N 1 1 455.647 4.709 20 0 JJADMO CC[C@]1(C)CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001546063736 1066309374 /nfs/dbraw/zinc/30/93/74/1066309374.db2.gz BKKKDTOWKJZDAC-BKMJKUGQSA-N 1 1 455.647 4.709 20 0 JJADMO Cc1cc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cs1 ZINC001361070661 1066310431 /nfs/dbraw/zinc/31/04/31/1066310431.db2.gz ROLSVIHYSHAXCR-LJQANCHMSA-N 1 1 487.645 4.522 20 0 JJADMO Cc1cc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cs1 ZINC001361070661 1066310446 /nfs/dbraw/zinc/31/04/46/1066310446.db2.gz ROLSVIHYSHAXCR-LJQANCHMSA-N 1 1 487.645 4.522 20 0 JJADMO C[NH+]1CCN([C@H](CNC(=O)c2ccc(SCc3ccccc3)cc2)c2cccs2)CC1 ZINC001443437469 1066311373 /nfs/dbraw/zinc/31/13/73/1066311373.db2.gz YTQYBIDKNLOQOL-HSZRJFAPSA-N 1 1 451.661 4.759 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)CCCC(=O)c2ccccc2)cc1 ZINC001454633502 1066313325 /nfs/dbraw/zinc/31/33/25/1066313325.db2.gz LHDGUCCRPJJXMP-RRPNLBNLSA-N 1 1 456.586 4.833 20 0 JJADMO Cc1cc(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)no1 ZINC001361083995 1066322724 /nfs/dbraw/zinc/32/27/24/1066322724.db2.gz KFSHCMIJHGRZQI-UHFFFAOYSA-N 1 1 475.062 4.879 20 0 JJADMO CC1(C)CN(C(=O)C[C@@H](O)c2ccc(OCc3ccccc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001443547600 1066327803 /nfs/dbraw/zinc/32/78/03/1066327803.db2.gz GFFIBTWNXUONSS-HHHXNRCGSA-N 1 1 458.602 4.812 20 0 JJADMO CC1(C)CN(C(=O)c2cc(-c3cccc(Br)c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC001443545732 1066327905 /nfs/dbraw/zinc/32/79/05/1066327905.db2.gz DJQWJBOSTYRUBI-UHFFFAOYSA-N 1 1 454.368 4.841 20 0 JJADMO CC1(C)CN(C(=O)c2cc(-c3cccc(Br)c3)no2)CC[N@H+]1Cc1ccccc1 ZINC001443545732 1066327926 /nfs/dbraw/zinc/32/79/26/1066327926.db2.gz DJQWJBOSTYRUBI-UHFFFAOYSA-N 1 1 454.368 4.841 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccccc1 ZINC001443557030 1066328436 /nfs/dbraw/zinc/32/84/36/1066328436.db2.gz YZFUPEPGAQBTSP-QHCPKHFHSA-N 1 1 451.611 4.766 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H](C)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001361087967 1066328559 /nfs/dbraw/zinc/32/85/59/1066328559.db2.gz DKKWPOAVGNKIOG-IRLDBZIGSA-N 1 1 490.092 4.599 20 0 JJADMO CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@H]1C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001443551709 1066328879 /nfs/dbraw/zinc/32/88/79/1066328879.db2.gz OZWHTPYRYWWWIH-PKTZIBPZSA-N 1 1 457.659 4.973 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N(C)[C@@H]2CCOC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001361088665 1066332193 /nfs/dbraw/zinc/33/21/93/1066332193.db2.gz XUWQHHAPYBBXJD-JOCHJYFZSA-N 1 1 490.092 4.599 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@H](C)C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001361088998 1066333764 /nfs/dbraw/zinc/33/37/64/1066333764.db2.gz OPHAKLIKNWJTSC-ICSRJNTNSA-N 1 1 460.066 4.971 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@@H](C)C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001361088999 1066333921 /nfs/dbraw/zinc/33/39/21/1066333921.db2.gz OPHAKLIKNWJTSC-QUCCMNQESA-N 1 1 460.066 4.971 20 0 JJADMO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N2CC3(CCCCCC3)[C@H]2c2ccccc2)CC1 ZINC001454826795 1066335701 /nfs/dbraw/zinc/33/57/01/1066335701.db2.gz VTSHXRUXDXGASF-XMMPIXPASA-N 1 1 455.643 4.900 20 0 JJADMO Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001454854931 1066336859 /nfs/dbraw/zinc/33/68/59/1066336859.db2.gz SUNMGDYHACMQNQ-VWNXMTODSA-N 1 1 451.611 4.732 20 0 JJADMO CC[C@]1(C)CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC[N@@H+](C)CCCOC)C1 ZINC001546066004 1066337859 /nfs/dbraw/zinc/33/78/59/1066337859.db2.gz FDRRWUSBSIAXSA-HSZRJFAPSA-N 1 1 478.479 4.611 20 0 JJADMO C[C@H](CC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001443697393 1066352092 /nfs/dbraw/zinc/35/20/92/1066352092.db2.gz GAUXPEVJIZIQRX-RZUBCFFCSA-N 1 1 459.631 4.692 20 0 JJADMO Cc1ccc(C)c(-n2ccnc2SCC(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c1 ZINC001443704312 1066354170 /nfs/dbraw/zinc/35/41/70/1066354170.db2.gz SEAHMNNYPJWYHD-HXUWFJFHSA-N 1 1 450.608 4.613 20 0 JJADMO O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001443714063 1066356067 /nfs/dbraw/zinc/35/60/67/1066356067.db2.gz BPQFKYOLPIUALS-OAQYLSRUSA-N 1 1 454.014 4.859 20 0 JJADMO CCCC[N@@H+](C)CCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001443722795 1066356878 /nfs/dbraw/zinc/35/68/78/1066356878.db2.gz GXUUPXBOQHXUBO-UHFFFAOYSA-N 1 1 455.400 4.764 20 0 JJADMO Cc1cccc(O[C@H](C)Cn2c(Cc3cccnc3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC001361109632 1066357829 /nfs/dbraw/zinc/35/78/29/1066357829.db2.gz CKDCHEIAZCMOGY-HSZRJFAPSA-N 1 1 476.669 4.596 20 0 JJADMO Cc1cccc(O[C@H](C)Cn2c(CC(C)C)nnc2N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC001361111009 1066360791 /nfs/dbraw/zinc/36/07/91/1066360791.db2.gz VLQUQPNGXYATCO-OAQYLSRUSA-N 1 1 453.656 4.636 20 0 JJADMO Cc1cccc(OCCN(C)c2nnc([C@@H]3CCCOC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361112476 1066363635 /nfs/dbraw/zinc/36/36/35/1066363635.db2.gz XWRQZYXXKZGJKU-TZRRMPRUSA-N 1 1 483.701 4.752 20 0 JJADMO Cc1nc(Cc2nnc(N(C)CCOc3cccc(C)c3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)cs1 ZINC001361113909 1066364889 /nfs/dbraw/zinc/36/48/89/1066364889.db2.gz WWILCQWNSRVNAB-NRFANRHFSA-N 1 1 496.725 4.968 20 0 JJADMO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CC[NH+](CCCOC(C)(C)C)CC3)c12 ZINC001455228244 1066373340 /nfs/dbraw/zinc/37/33/40/1066373340.db2.gz NPHABYJAVIKRDG-UHFFFAOYSA-N 1 1 457.663 4.581 20 0 JJADMO CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001545962774 1066375489 /nfs/dbraw/zinc/37/54/89/1066375489.db2.gz JWBNGUOMWPTMON-OAQYLSRUSA-N 1 1 451.615 4.587 20 0 JJADMO CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001545962774 1066375502 /nfs/dbraw/zinc/37/55/02/1066375502.db2.gz JWBNGUOMWPTMON-OAQYLSRUSA-N 1 1 451.615 4.587 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@@H]3CCOC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001361124064 1066376691 /nfs/dbraw/zinc/37/66/91/1066376691.db2.gz VUBOOABLBCWTOT-ZEQRLZLVSA-N 1 1 483.701 4.882 20 0 JJADMO Cc1cccc(NC[C@@H]2CCCN2C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)[nH+]1 ZINC001443870143 1066378497 /nfs/dbraw/zinc/37/84/97/1066378497.db2.gz KTPVTJVIYWMFBD-HNNXBMFYSA-N 1 1 458.349 4.996 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CCC[NH+]2CCOCC2)c1 ZINC001361125951 1066380871 /nfs/dbraw/zinc/38/08/71/1066380871.db2.gz HYVNAJJTGWAQCS-HSZRJFAPSA-N 1 1 483.701 4.884 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)[C@H](C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001361126373 1066384335 /nfs/dbraw/zinc/38/43/35/1066384335.db2.gz QVAGSQTYVJLCOK-TZRRMPRUSA-N 1 1 483.701 4.738 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H]3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001361127303 1066387952 /nfs/dbraw/zinc/38/79/52/1066387952.db2.gz HFWDRTHAQCNVKR-UPVQGACJSA-N 1 1 469.674 4.634 20 0 JJADMO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)NC[C@H](CO)c2ccc(Cl)cc2)c1 ZINC001455420814 1066388504 /nfs/dbraw/zinc/38/85/04/1066388504.db2.gz NUWGNAFRIOABBL-FXVJXKIMSA-N 1 1 463.021 4.756 20 0 JJADMO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)CN(C(=O)c2ccccc2)c2ccccc2)CC1 ZINC001455451324 1066391806 /nfs/dbraw/zinc/39/18/06/1066391806.db2.gz AHTVSKOJUPIHLD-SANMLTNESA-N 1 1 459.565 4.768 20 0 JJADMO CCN1CC[NH+](CCC(=O)Nc2ccc(-c3nc4ccc(F)cc4n3C(C)C)cc2C)CC1 ZINC001444000427 1066393418 /nfs/dbraw/zinc/39/34/18/1066393418.db2.gz JTMGCDUFEBAQMM-UHFFFAOYSA-N 1 1 451.590 4.698 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CCCCC1 ZINC001455495221 1066397761 /nfs/dbraw/zinc/39/77/61/1066397761.db2.gz OSFHQJAMZZATKE-QHCPKHFHSA-N 1 1 457.659 4.975 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001361131786 1066400735 /nfs/dbraw/zinc/40/07/35/1066400735.db2.gz QEIPBTPFGPOSCM-MZKUHISZSA-N 1 1 497.728 4.864 20 0 JJADMO CN(Cc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC001455586048 1066413267 /nfs/dbraw/zinc/41/32/67/1066413267.db2.gz UTYRDUZSTGULRA-WOJBJXKFSA-N 1 1 455.357 4.728 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)[C@H]3CCSC3)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001361145929 1066430061 /nfs/dbraw/zinc/43/00/61/1066430061.db2.gz NAPLEMWAQNAJCK-NRFANRHFSA-N 1 1 457.688 4.538 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)Cc3cscn3)n2CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001361148216 1066433737 /nfs/dbraw/zinc/43/37/37/1066433737.db2.gz DMYRBJZOMUXSSU-NRFANRHFSA-N 1 1 468.671 4.831 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC001444247142 1066433953 /nfs/dbraw/zinc/43/39/53/1066433953.db2.gz IELWTZQWAUIZDT-JAXLGGSGSA-N 1 1 458.647 4.693 20 0 JJADMO CCc1nc(-c2ccc(C(=O)Nc3ccc(C[N@@H+](C)CCOc4ccccc4)cc3)cc2)n[nH]1 ZINC001455810416 1066435424 /nfs/dbraw/zinc/43/54/24/1066435424.db2.gz JKSZREDYTHZXHW-UHFFFAOYSA-N 1 1 455.562 4.797 20 0 JJADMO C[N@@H+](CCOc1ccccc1)Cc1ccc(NC(=O)[C@@H]2CCCCN2Cc2cccnc2)cc1 ZINC001455812550 1066435962 /nfs/dbraw/zinc/43/59/62/1066435962.db2.gz WTXJSFLCTNMJJN-MHZLTWQESA-N 1 1 458.606 4.586 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001361148731 1066436663 /nfs/dbraw/zinc/43/66/63/1066436663.db2.gz UVEUFAYJEWJFRE-XWGVYQGASA-N 1 1 469.674 4.600 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)C[C@H]3CCCCO3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001361148842 1066437267 /nfs/dbraw/zinc/43/72/67/1066437267.db2.gz ZAIQCEOJXLMPRX-LOSJGSFVSA-N 1 1 483.701 4.847 20 0 JJADMO Cc1[nH]c(C2CCN(C(=O)CCc3ncc(-c4ccccc4Br)o3)CC2)[nH+]c1C ZINC001455865623 1066442818 /nfs/dbraw/zinc/44/28/18/1066442818.db2.gz JDIUKNGJNKDGQJ-UHFFFAOYSA-N 1 1 457.372 4.783 20 0 JJADMO Cc1[nH]c(C2CCN(C(=O)c3cccnc3Oc3ccc(Br)cc3)CC2)[nH+]c1C ZINC001455868309 1066443341 /nfs/dbraw/zinc/44/33/41/1066443341.db2.gz RIUWEEXYGPQQMP-UHFFFAOYSA-N 1 1 455.356 4.996 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001361151932 1066444812 /nfs/dbraw/zinc/44/48/12/1066444812.db2.gz GLDWRUZDJGKJDG-BJKOFHAPSA-N 1 1 483.701 4.703 20 0 JJADMO CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001444325395 1066449129 /nfs/dbraw/zinc/44/91/29/1066449129.db2.gz VWZGWVJBLUYAFZ-RBZQAINGSA-N 1 1 455.643 4.679 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CCc2nccs2)c1 ZINC001361154947 1066451651 /nfs/dbraw/zinc/45/16/51/1066451651.db2.gz HCAVKXSWOHHBED-UHFFFAOYSA-N 1 1 482.698 4.730 20 0 JJADMO Cc1cc(C)n(CC2CCN(c3nnc(COc4cc(C)ccc4C)n3CC[N@H+](C)C(C)C)CC2)n1 ZINC001361154763 1066451807 /nfs/dbraw/zinc/45/18/07/1066451807.db2.gz GCCWMQMOHXNVMC-UHFFFAOYSA-N 1 1 493.700 4.544 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(COc2cc(C)ccc2C)nnc1N1CCC=C(Br)C1 ZINC001361155283 1066453661 /nfs/dbraw/zinc/45/36/61/1066453661.db2.gz AEZKFKICSYCAEP-UHFFFAOYSA-N 1 1 485.430 4.558 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC001444461461 1066462640 /nfs/dbraw/zinc/46/26/40/1066462640.db2.gz UJIKHGYFKASIOA-UHFFFAOYSA-N 1 1 459.590 4.648 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC001444461461 1066462646 /nfs/dbraw/zinc/46/26/46/1066462646.db2.gz UJIKHGYFKASIOA-UHFFFAOYSA-N 1 1 459.590 4.648 20 0 JJADMO CN(C)C(=O)Nc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c(Cl)c1 ZINC001361160029 1066466517 /nfs/dbraw/zinc/46/65/17/1066466517.db2.gz ACWQSSNGUTXDHY-RUZDIDTESA-N 1 1 455.002 4.562 20 0 JJADMO O=C(CCC(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1)Nc1c(F)cccc1F ZINC001444502359 1066468784 /nfs/dbraw/zinc/46/87/84/1066468784.db2.gz LVIOWPVFEXCYFE-UHFFFAOYSA-N 1 1 455.549 4.731 20 0 JJADMO CC(C)(C)C(=O)NC1CCC(C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)CC1 ZINC001444500262 1066468896 /nfs/dbraw/zinc/46/88/96/1066468896.db2.gz FVBXHKLKLGJENT-UHFFFAOYSA-N 1 1 453.671 4.755 20 0 JJADMO C[C@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001444506220 1066469556 /nfs/dbraw/zinc/46/95/56/1066469556.db2.gz UFWIOVQJGBIKHW-OAQYLSRUSA-N 1 1 455.643 4.822 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCS[C@H](C)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001361164228 1066475718 /nfs/dbraw/zinc/47/57/18/1066475718.db2.gz ZANUOWOVTLNIAU-RBBKRZOGSA-N 1 1 471.715 4.926 20 0 JJADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001361166798 1066478358 /nfs/dbraw/zinc/47/83/58/1066478358.db2.gz ZXWCKYQQKOQCPR-IGKIAQTJSA-N 1 1 455.602 4.528 20 0 JJADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001361166799 1066478383 /nfs/dbraw/zinc/47/83/83/1066478383.db2.gz ZXWCKYQQKOQCPR-RPLLCQBOSA-N 1 1 455.602 4.528 20 0 JJADMO COCCOc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c(Cl)c1 ZINC001456029682 1066482241 /nfs/dbraw/zinc/48/22/41/1066482241.db2.gz FLLCPNCQQGWZPM-IBGZPJMESA-N 1 1 451.394 4.803 20 0 JJADMO COCCOc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c(Cl)c1 ZINC001456029682 1066482247 /nfs/dbraw/zinc/48/22/47/1066482247.db2.gz FLLCPNCQQGWZPM-IBGZPJMESA-N 1 1 451.394 4.803 20 0 JJADMO Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccccc3C)n2CCC[N@H+]2CCCO[C@@H](C)C2)o1 ZINC001361169714 1066484124 /nfs/dbraw/zinc/48/41/24/1066484124.db2.gz JIZAVPSEYRUFOX-FCHUYYIVSA-N 1 1 451.615 4.853 20 0 JJADMO Cc1ccc(-c2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2CCCC[N@H+]2CCC[C@@H]2CO)o1 ZINC001361171175 1066486430 /nfs/dbraw/zinc/48/64/30/1066486430.db2.gz SDENLEKKYXZYSK-UYAOXDASSA-N 1 1 473.568 4.559 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CC(=O)N(C)[C@H](C)c3ccccc3)n2CC[N@@H+](C)C2CCCCC2)o1 ZINC001361174110 1066491176 /nfs/dbraw/zinc/49/11/76/1066491176.db2.gz MXGPCWFPJWTRHN-JOCHJYFZSA-N 1 1 492.668 4.767 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CC(F)(F)F)n2C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)o1 ZINC001361175576 1066493446 /nfs/dbraw/zinc/49/34/46/1066493446.db2.gz RNTANRHFTIBPCZ-YJBOKZPZSA-N 1 1 453.534 4.990 20 0 JJADMO CC[C@H](Cn1c(-c2ccccc2Br)nnc1N1CCC[N@H+](C2CCCC2)CC1)OC ZINC001545968735 1066495809 /nfs/dbraw/zinc/49/58/09/1066495809.db2.gz KQTGUDOYUSYSIL-LJQANCHMSA-N 1 1 476.463 4.587 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3ccc(Br)cc3)n2C[C@H](C)[N@@H+](C)C2CC2)o1 ZINC001361177767 1066496995 /nfs/dbraw/zinc/49/69/95/1066496995.db2.gz QAJFZHNMYJJNMI-HNNXBMFYSA-N 1 1 458.404 4.728 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3ccc(F)c(Cl)c3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)o1 ZINC001361178433 1066498907 /nfs/dbraw/zinc/49/89/07/1066498907.db2.gz MIUGEZIECSDXOA-LJQANCHMSA-N 1 1 475.996 4.632 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3cnccn3)n2CC[N@H+]2CCCC(C)(C)C2)cc1Br ZINC001361181819 1066504172 /nfs/dbraw/zinc/50/41/72/1066504172.db2.gz XLSGERNKGCVQGB-UHFFFAOYSA-N 1 1 498.473 4.564 20 0 JJADMO Cc1ccc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1Br ZINC001361184283 1066507105 /nfs/dbraw/zinc/50/71/05/1066507105.db2.gz FAGVDRDLOOXYBP-ICSRJNTNSA-N 1 1 490.490 4.611 20 0 JJADMO Cc1ccc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2CC[N@@H+]2CCC[C@H]2C)cc1Br ZINC001361184530 1066507548 /nfs/dbraw/zinc/50/75/48/1066507548.db2.gz MFRUCJMCLYQBQK-QUCCMNQESA-N 1 1 476.463 4.506 20 0 JJADMO CC[C@@]1(C)CCN(c2nnc(CSc3ccccc3OC)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546079356 1066508230 /nfs/dbraw/zinc/50/82/30/1066508230.db2.gz KMQKHMZDGMUPBD-UZINWLIJSA-N 1 1 487.714 4.705 20 0 JJADMO O=C(Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001456118086 1066513770 /nfs/dbraw/zinc/51/37/70/1066513770.db2.gz NQOHPYIEBOINFC-UHFFFAOYSA-N 1 1 451.408 4.791 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCN(C)c3ccccc3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)o1 ZINC001361188778 1066514185 /nfs/dbraw/zinc/51/41/85/1066514185.db2.gz YJDPJWTUDNVLTH-LEWJYISDSA-N 1 1 450.631 4.540 20 0 JJADMO O=C(c1ccc(-c2ccco2)[nH]c1=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001444868677 1066514951 /nfs/dbraw/zinc/51/49/51/1066514951.db2.gz SRIAVDKIHJGLJB-SFHVURJKSA-N 1 1 459.468 4.574 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCOC(C)(C)C)n2C[C@H]2CCC[N@H+]2Cc2ccccc2)o1 ZINC001361190768 1066516235 /nfs/dbraw/zinc/51/62/35/1066516235.db2.gz RULYCNLMPDJIQM-JOCHJYFZSA-N 1 1 451.615 4.762 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCOc3ccccc3C)n2CCC[N@@H+]2CCCC[C@H]2C)o1 ZINC001361190837 1066516704 /nfs/dbraw/zinc/51/67/04/1066516704.db2.gz VAEOSSQDHKVSTG-OAQYLSRUSA-N 1 1 451.615 4.935 20 0 JJADMO CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001444894879 1066516982 /nfs/dbraw/zinc/51/69/82/1066516982.db2.gz TZCPZOJBVYQHEV-GBXCKJPGSA-N 1 1 456.030 4.608 20 0 JJADMO Cc1cc(F)cc2c(O)c(C(=O)N(CC[N@H+](C)Cc3ccccc3)Cc3ccccc3)cnc12 ZINC001444944720 1066520983 /nfs/dbraw/zinc/52/09/83/1066520983.db2.gz AMVVVLDHYVIOHX-UHFFFAOYSA-N 1 1 457.549 4.750 20 0 JJADMO Cc1ccc(-c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CC[N@@H+](C)C2CCCCC2)cc1Br ZINC001361196056 1066523565 /nfs/dbraw/zinc/52/35/65/1066523565.db2.gz JMQMDBXIWFDFDJ-OALUTQOASA-N 1 1 490.490 4.894 20 0 JJADMO C[C@H](c1ccc(NC(=O)c2cc(-c3cccc(Br)c3)no2)cc1)[NH+]1CCOCC1 ZINC001456156339 1066524923 /nfs/dbraw/zinc/52/49/23/1066524923.db2.gz HANXYFHZBQDQOA-OAHLLOKOSA-N 1 1 456.340 4.750 20 0 JJADMO Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)N[C@H]3C[N@H+](C)CC3(C)C)cc12 ZINC001456156889 1066525162 /nfs/dbraw/zinc/52/51/62/1066525162.db2.gz GGRJMFWGLHMVMH-SFHVURJKSA-N 1 1 451.423 4.831 20 0 JJADMO C[C@H](c1ccc(NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)cc1)N1CCOCC1 ZINC001456158957 1066525703 /nfs/dbraw/zinc/52/57/03/1066525703.db2.gz XOOMEDKHPKDMPT-FGZHOGPDSA-N 1 1 451.611 4.585 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC([C@@H](C)NC(=O)OC(C)(C)C)CC3)n2CCCn2cc[nH+]c2C)o1 ZINC001361200190 1066529900 /nfs/dbraw/zinc/52/99/00/1066529900.db2.gz PFEWNGFZZBCCHY-LJQANCHMSA-N 1 1 497.644 4.571 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[C@@H](C)[N@H+](Cc4ccccc4)CC3)n2CCCOC(F)(F)F)o1 ZINC001361203248 1066533361 /nfs/dbraw/zinc/53/33/61/1066533361.db2.gz YUKPCUFICQHPKI-GOSISDBHSA-N 1 1 477.531 4.874 20 0 JJADMO Cc1sc2ncnc(SCC(=O)Nc3ccc(OCC[N@@H+]4CC[C@H](C)C4)cc3)c2c1C ZINC001445049504 1066533569 /nfs/dbraw/zinc/53/35/69/1066533569.db2.gz OZUFEPJYOXEWID-HNNXBMFYSA-N 1 1 456.637 4.760 20 0 JJADMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)cc2)C1 ZINC001445051195 1066533629 /nfs/dbraw/zinc/53/36/29/1066533629.db2.gz SMMSSBZKTNTYPI-QGZVFWFLSA-N 1 1 458.484 4.864 20 0 JJADMO Cc1cc(CCC(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)ccc1Br ZINC001456193119 1066533940 /nfs/dbraw/zinc/53/39/40/1066533940.db2.gz HKVGFGTZAKEVTQ-UHFFFAOYSA-N 1 1 451.449 4.620 20 0 JJADMO CC(C)c1c(C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)cnn1-c1ccc(F)cc1 ZINC001456199202 1066535846 /nfs/dbraw/zinc/53/58/46/1066535846.db2.gz SOVVDGWYGFGIPR-UHFFFAOYSA-N 1 1 456.606 4.678 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC[C@H](CN(C)C(=O)OC(C)(C)C)C3)n2CCC[N@H+](C)C(C)C)o1 ZINC001361211842 1066545968 /nfs/dbraw/zinc/54/59/68/1066545968.db2.gz BIVRRNMLKQTXGJ-OAQYLSRUSA-N 1 1 488.677 4.660 20 0 JJADMO C[C@H]1C[C@H](NC(=O)c2ccc(CCNC(=O)OC(C)(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC001445229550 1066547597 /nfs/dbraw/zinc/54/75/97/1066547597.db2.gz ZZJMMEPVZUBMNQ-GBXCKJPGSA-N 1 1 451.611 4.537 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC[C@H]3C(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)cc1Br ZINC001361218300 1066554444 /nfs/dbraw/zinc/55/44/44/1066554444.db2.gz LPRYHORZACIVFQ-NRFANRHFSA-N 1 1 490.490 4.752 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC[C@H]3C(C)C)n2CC[N@H+]2CCOC(C)(C)C2)cc1Br ZINC001361218300 1066554456 /nfs/dbraw/zinc/55/44/56/1066554456.db2.gz LPRYHORZACIVFQ-NRFANRHFSA-N 1 1 490.490 4.752 20 0 JJADMO CC(C)c1nc(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)nn1-c1c(Cl)cccc1Cl ZINC001445315951 1066556185 /nfs/dbraw/zinc/55/61/85/1066556185.db2.gz YNMDFZYMUMXTSZ-INIZCTEOSA-N 1 1 450.414 4.501 20 0 JJADMO CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)C1 ZINC001361220072 1066556896 /nfs/dbraw/zinc/55/68/96/1066556896.db2.gz DGGNNMHXKULYDA-QHAWAJNXSA-N 1 1 468.560 4.657 20 0 JJADMO CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)c1 ZINC001456296042 1066557260 /nfs/dbraw/zinc/55/72/60/1066557260.db2.gz WZIPGOUBVGODRV-UHFFFAOYSA-N 1 1 450.604 4.894 20 0 JJADMO COc1cccc2[nH]cc(CC(=O)N(C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC(F)(F)F)c21 ZINC001361220463 1066557373 /nfs/dbraw/zinc/55/73/73/1066557373.db2.gz QVSQSYMKCPSKNZ-IBGZPJMESA-N 1 1 459.512 4.632 20 0 JJADMO CCC(=O)c1cc(C(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)ccc1F ZINC001361220515 1066557432 /nfs/dbraw/zinc/55/74/32/1066557432.db2.gz TYRRBLNJRAWNRC-GOSISDBHSA-N 1 1 450.476 4.945 20 0 JJADMO O=C([C@@H]1C[C@H]1c1cc(F)ccc1F)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001361220646 1066558022 /nfs/dbraw/zinc/55/80/22/1066558022.db2.gz XZLZBFAKUHIPMP-SLYNCCJLSA-N 1 1 452.467 4.981 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[NH+]([C@H](C)c4ccsc4)CC3)n2C[C@@](C)(O)CCC(C)C)o1 ZINC001361220844 1066558382 /nfs/dbraw/zinc/55/83/82/1066558382.db2.gz GKDFKJSFDDHUMY-NLFFAJNJSA-N 1 1 471.671 4.978 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[NH+]([C@@H](C)c4ccsc4)CC3)n2CCCOCC(C)C)o1 ZINC001361220926 1066558957 /nfs/dbraw/zinc/55/89/57/1066558957.db2.gz IWKRTALIFITNKR-FQEVSTJZSA-N 1 1 457.644 4.854 20 0 JJADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)[C@@H](C)C1 ZINC001456302700 1066559118 /nfs/dbraw/zinc/55/91/18/1066559118.db2.gz NGAZPYHHXOVBSH-KBXCAEBGSA-N 1 1 456.439 4.984 20 0 JJADMO Cc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2CCC[N@@H+]2CCCC[C@H]2C)cc1Br ZINC001361226971 1066565549 /nfs/dbraw/zinc/56/55/49/1066565549.db2.gz DEWIVBJEVIACGD-LJQANCHMSA-N 1 1 490.490 4.896 20 0 JJADMO Cc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2CCC[N@H+]2CCCC[C@H]2C)cc1Br ZINC001361227635 1066566045 /nfs/dbraw/zinc/56/60/45/1066566045.db2.gz RVOWEVTXCRNUDX-MOPGFXCFSA-N 1 1 476.463 4.506 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCS[C@H](C)C1 ZINC001361230948 1066570540 /nfs/dbraw/zinc/57/05/40/1066570540.db2.gz HHZOJGUBEIKYQF-MRXNPFEDSA-N 1 1 475.460 4.553 20 0 JJADMO C[C@H](CNC(=O)c1ccc(NC(=O)CSc2cccs2)cc1)[N@@H+](C)Cc1ccccc1 ZINC001456400597 1066578780 /nfs/dbraw/zinc/57/87/80/1066578780.db2.gz KPPITAKPNHWHBQ-GOSISDBHSA-N 1 1 453.633 4.729 20 0 JJADMO C[C@@H](CNC(=O)c1cccnc1Oc1cccc(Br)c1)[N@@H+](C)Cc1ccccc1 ZINC001456402126 1066579326 /nfs/dbraw/zinc/57/93/26/1066579326.db2.gz QHOIROYVSLNBJP-KRWDZBQOSA-N 1 1 454.368 4.887 20 0 JJADMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(NCc2ccsc2)cc1 ZINC001445524212 1066581288 /nfs/dbraw/zinc/58/12/88/1066581288.db2.gz ADQMRSIFNLGGFS-UHFFFAOYSA-N 1 1 455.027 4.566 20 0 JJADMO O=C(CCOc1cccc(Br)c1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001445528620 1066583173 /nfs/dbraw/zinc/58/31/73/1066583173.db2.gz WMHQNSIBHOIEDQ-NFBKMPQASA-N 1 1 457.412 4.731 20 0 JJADMO CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nc1 ZINC001445531747 1066583730 /nfs/dbraw/zinc/58/37/30/1066583730.db2.gz ZJZLZSMMRSDEIW-REWPJTCUSA-N 1 1 450.583 4.555 20 0 JJADMO Cc1ccc(CN(C)c2nnc(C(C)(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)s1 ZINC001361247108 1066589457 /nfs/dbraw/zinc/58/94/57/1066589457.db2.gz PLTKMXJDKZZFNO-JOCHJYFZSA-N 1 1 467.683 4.873 20 0 JJADMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccccc3SCC(=O)NC3CCCCCCC3)CC[C@H]21 ZINC001445576714 1066589657 /nfs/dbraw/zinc/58/96/57/1066589657.db2.gz WEQZSKDGOQNOGF-NFBKMPQASA-N 1 1 457.684 4.564 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(Nc2cc(OC)cc(OC)c2)CC1 ZINC001445582822 1066590636 /nfs/dbraw/zinc/59/06/36/1066590636.db2.gz FIZYCRMWXRUHKP-AJTFRIOCSA-N 1 1 465.638 4.655 20 0 JJADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)C3(Cc4cccc(Cl)c4)CCCC3)C2)cc(OC)c1 ZINC001445610046 1066594503 /nfs/dbraw/zinc/59/45/03/1066594503.db2.gz DCLVVPAVYZWNTD-QFIPXVFZSA-N 1 1 457.014 4.851 20 0 JJADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)C3(Cc4cccc(Cl)c4)CCCC3)C2)cc(OC)c1 ZINC001445610046 1066594515 /nfs/dbraw/zinc/59/45/15/1066594515.db2.gz DCLVVPAVYZWNTD-QFIPXVFZSA-N 1 1 457.014 4.851 20 0 JJADMO Cc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)o1 ZINC001361250029 1066595677 /nfs/dbraw/zinc/59/56/77/1066595677.db2.gz OGURQSOENMWFBO-CVEARBPZSA-N 1 1 475.435 4.694 20 0 JJADMO Cc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCCC(C)(C)C2)o1 ZINC001361250480 1066596920 /nfs/dbraw/zinc/59/69/20/1066596920.db2.gz XQHIZXOQLPWIAC-UHFFFAOYSA-N 1 1 475.435 4.696 20 0 JJADMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@H]3Cc4ccc(Br)cc4C(=O)O3)c2C1 ZINC001361253674 1066601719 /nfs/dbraw/zinc/60/17/19/1066601719.db2.gz CEIQUAJMZDKMTF-OAQYLSRUSA-N 1 1 457.368 4.531 20 0 JJADMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H]3Cc4ccc(Br)cc4C(=O)O3)c2C1 ZINC001361253673 1066601839 /nfs/dbraw/zinc/60/18/39/1066601839.db2.gz CEIQUAJMZDKMTF-NRFANRHFSA-N 1 1 457.368 4.531 20 0 JJADMO CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)N(C)[C@H]4CCC[N@@H+](C)C4)cc3)o2)cc1 ZINC001456501091 1066602456 /nfs/dbraw/zinc/60/24/56/1066602456.db2.gz RLYPAGXLIIWFQX-QHCPKHFHSA-N 1 1 459.546 4.568 20 0 JJADMO Cc1ccc(CN(C)c2nnc(Cc3ccccn3)n2CCCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC001361258109 1066606912 /nfs/dbraw/zinc/60/69/12/1066606912.db2.gz ONOVXJYIZNMBRZ-FQEVSTJZSA-N 1 1 452.672 4.925 20 0 JJADMO CC[C@]1(C)CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CCO1 ZINC001546082976 1066609066 /nfs/dbraw/zinc/60/90/66/1066609066.db2.gz HBSZMHBSJYZBIB-VHFRWLAGSA-N 1 1 487.664 4.931 20 0 JJADMO Cc1ccc(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCC[N@H+](C(C)C)CC2)cn1 ZINC001361267610 1066619837 /nfs/dbraw/zinc/61/98/37/1066619837.db2.gz NVTNJGJOOICOEN-HSZRJFAPSA-N 1 1 462.642 4.707 20 0 JJADMO Cc1ccc(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)cn1 ZINC001361268413 1066621285 /nfs/dbraw/zinc/62/12/85/1066621285.db2.gz KHIMEBGITIUMOH-UHFFFAOYSA-N 1 1 453.034 4.907 20 0 JJADMO O=C(NCc1ccc(O)c(Br)c1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001445909127 1066633784 /nfs/dbraw/zinc/63/37/84/1066633784.db2.gz GFBKGJAISHNNFO-RTBURBONSA-N 1 1 471.420 4.748 20 0 JJADMO Nc1cc(Cl)c(Cl)cc1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001446000151 1066643270 /nfs/dbraw/zinc/64/32/70/1066643270.db2.gz KMMBGLVBUDZQDK-UHFFFAOYSA-N 1 1 457.199 4.733 20 0 JJADMO CC[N@@H+](C)[C@@H](C(=O)N1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1)c1ccccc1 ZINC001456624947 1066649018 /nfs/dbraw/zinc/64/90/18/1066649018.db2.gz WGVFSBDKORFUIF-XUZZJYLKSA-N 1 1 457.659 4.955 20 0 JJADMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@H](O)c1cccc(C(F)(F)F)c1 ZINC001456647602 1066657440 /nfs/dbraw/zinc/65/74/40/1066657440.db2.gz GFOIOFGWPHSVOW-RBZQAINGSA-N 1 1 454.492 4.523 20 0 JJADMO CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)o1 ZINC001456648134 1066658081 /nfs/dbraw/zinc/65/80/81/1066658081.db2.gz IHPOOZIWIIIZSF-BJKOFHAPSA-N 1 1 475.589 4.702 20 0 JJADMO CC[C@]1(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCN(C(=O)OC(C)(C)C)C1 ZINC001456648150 1066658200 /nfs/dbraw/zinc/65/82/00/1066658200.db2.gz IMFKHLRZMWJMEH-FVVBACEJSA-N 1 1 477.649 4.808 20 0 JJADMO Cc1cccnc1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001492604961 1066662057 /nfs/dbraw/zinc/66/20/57/1066662057.db2.gz LIEDXEYJYQWRBF-SZPZYZBQSA-N 1 1 476.669 4.540 20 0 JJADMO Cc1cccnc1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001492604961 1066662069 /nfs/dbraw/zinc/66/20/69/1066662069.db2.gz LIEDXEYJYQWRBF-SZPZYZBQSA-N 1 1 476.669 4.540 20 0 JJADMO C[C@@H]1C[C@H](N(C)C(=O)[C@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)CC[N@H+]1C ZINC001456710834 1066672309 /nfs/dbraw/zinc/67/23/09/1066672309.db2.gz HSCLVAIOMVQOGM-CLCXKQKWSA-N 1 1 458.430 4.843 20 0 JJADMO C[N@@H+]1CC[C@H](NC(=O)COc2ccc3cc(Br)ccc3c2)[C@@H]1c1ccc(F)cc1 ZINC001446190513 1066672598 /nfs/dbraw/zinc/67/25/98/1066672598.db2.gz KCYDSBNBTLBQIW-GMAHTHKFSA-N 1 1 457.343 4.682 20 0 JJADMO C[N@H+]1CC[C@H](NC(=O)COc2ccc3cc(Br)ccc3c2)[C@@H]1c1ccc(F)cc1 ZINC001446190513 1066672605 /nfs/dbraw/zinc/67/26/05/1066672605.db2.gz KCYDSBNBTLBQIW-GMAHTHKFSA-N 1 1 457.343 4.682 20 0 JJADMO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001446193766 1066673212 /nfs/dbraw/zinc/67/32/12/1066673212.db2.gz NKGVDDDKHQJFOV-VQROGVPDSA-N 1 1 455.574 4.589 20 0 JJADMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001446193766 1066673217 /nfs/dbraw/zinc/67/32/17/1066673217.db2.gz NKGVDDDKHQJFOV-VQROGVPDSA-N 1 1 455.574 4.589 20 0 JJADMO C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)[C@H]1c1ccc(F)cc1 ZINC001446196238 1066674074 /nfs/dbraw/zinc/67/40/74/1066674074.db2.gz QHNYXUYJJAAEQK-FYYLOGMGSA-N 1 1 453.558 4.689 20 0 JJADMO C[N@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)[C@H]1c1ccc(F)cc1 ZINC001446196238 1066674079 /nfs/dbraw/zinc/67/40/79/1066674079.db2.gz QHNYXUYJJAAEQK-FYYLOGMGSA-N 1 1 453.558 4.689 20 0 JJADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC001456733421 1066676721 /nfs/dbraw/zinc/67/67/21/1066676721.db2.gz IAEXQMUWVWXHKD-HXUWFJFHSA-N 1 1 453.533 4.923 20 0 JJADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC001456734490 1066677562 /nfs/dbraw/zinc/67/75/62/1066677562.db2.gz IXRJVKSVVDMQSV-SFHVURJKSA-N 1 1 458.484 4.740 20 0 JJADMO CC1=CCCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001492614080 1066677697 /nfs/dbraw/zinc/67/76/97/1066677697.db2.gz SUFBVVPHNJMRPQ-OAQYLSRUSA-N 1 1 476.090 4.737 20 0 JJADMO CC1=CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001492614206 1066678421 /nfs/dbraw/zinc/67/84/21/1066678421.db2.gz YDYZTQOWDKLTNS-DHIUTWEWSA-N 1 1 455.622 4.624 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC=C(C)CC2)n1CCC[NH+]1CCOCC1 ZINC001492615087 1066679711 /nfs/dbraw/zinc/67/97/11/1066679711.db2.gz ZEJHLPDMGHAKKY-OAQYLSRUSA-N 1 1 474.049 4.567 20 0 JJADMO C[C@@H](NC(=O)c1ccc2scc(Br)c2c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001456746394 1066679773 /nfs/dbraw/zinc/67/97/73/1066679773.db2.gz KKNVNYCRHRHSHE-QRWLVFNGSA-N 1 1 459.409 4.683 20 0 JJADMO C[C@@H](NC(=O)c1ccc2scc(Br)c2c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001456746394 1066679778 /nfs/dbraw/zinc/67/97/78/1066679778.db2.gz KKNVNYCRHRHSHE-QRWLVFNGSA-N 1 1 459.409 4.683 20 0 JJADMO C[C@@H]1C[C@H](CCNC(=O)/C=C/[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[N@H+]1Cc1ccccc1 ZINC001446259321 1066680345 /nfs/dbraw/zinc/68/03/45/1066680345.db2.gz NQSIOBQCUVCEAC-ACEOEEQVSA-N 1 1 455.643 4.607 20 0 JJADMO CC1=CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001492615222 1066680334 /nfs/dbraw/zinc/68/03/34/1066680334.db2.gz DVIAVQPTNPMTFX-RTBURBONSA-N 1 1 458.448 4.984 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC=C(C)CC1 ZINC001492615949 1066683222 /nfs/dbraw/zinc/68/32/22/1066683222.db2.gz FUOJJUGBULFOSH-UHFFFAOYSA-N 1 1 455.404 4.768 20 0 JJADMO Cc1noc(C)c1COc1ccc(CC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC001456769974 1066685486 /nfs/dbraw/zinc/68/54/86/1066685486.db2.gz IRYGEFCEVLTZJL-NBGIEHNGSA-N 1 1 453.608 4.674 20 0 JJADMO CC1=CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@H+](C)Cc2ccccc2)CC1 ZINC001492619748 1066688153 /nfs/dbraw/zinc/68/81/53/1066688153.db2.gz IDNAFQDTMVAZMK-DNQXCXABSA-N 1 1 451.659 4.875 20 0 JJADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(OC2CCCC2)c(OC)c1 ZINC001446321506 1066690339 /nfs/dbraw/zinc/69/03/39/1066690339.db2.gz GXVRKBJRVVFRSE-JOCHJYFZSA-N 1 1 452.595 4.849 20 0 JJADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC001446321856 1066690531 /nfs/dbraw/zinc/69/05/31/1066690531.db2.gz IIRZRCRVNOZHOZ-JOCHJYFZSA-N 1 1 453.970 4.756 20 0 JJADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1csc(Cc2cccc(F)c2)n1 ZINC001446321852 1066690578 /nfs/dbraw/zinc/69/05/78/1066690578.db2.gz IEWZFUHSGHOSOI-OAQYLSRUSA-N 1 1 453.583 4.705 20 0 JJADMO CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)NC[C@H]2CCCC[N@H+]2C)c1=S ZINC001456799356 1066693434 /nfs/dbraw/zinc/69/34/34/1066693434.db2.gz QGVDXJCEPGLXRE-LJQANCHMSA-N 1 1 450.052 4.525 20 0 JJADMO COc1ccccc1CN(CCO)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001446386028 1066699891 /nfs/dbraw/zinc/69/98/91/1066699891.db2.gz BZWLBZTVXZMXSG-IZZNHLLZSA-N 1 1 479.020 4.585 20 0 JJADMO O=C(NCc1cc2cccnc2cc1Br)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001446435554 1066705695 /nfs/dbraw/zinc/70/56/95/1066705695.db2.gz SDTUVXCUGNXGIG-QFIPXVFZSA-N 1 1 456.359 4.807 20 0 JJADMO O=C(NCc1cc2cccnc2cc1Br)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001446435554 1066705703 /nfs/dbraw/zinc/70/57/03/1066705703.db2.gz SDTUVXCUGNXGIG-QFIPXVFZSA-N 1 1 456.359 4.807 20 0 JJADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCCCC[C@@H]3C[C@H](O)c3ccccc3)cc2)C[C@@H](C)O1 ZINC001446553588 1066720628 /nfs/dbraw/zinc/72/06/28/1066720628.db2.gz KXIZCDHWNDACHN-VLHNATBGSA-N 1 1 450.623 4.804 20 0 JJADMO Cc1ccc([C@H](Cn2ccnc2)NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)c(C)c1 ZINC001446585795 1066723992 /nfs/dbraw/zinc/72/39/92/1066723992.db2.gz RABJHFIPOAHHLX-RPWUZVMVSA-N 1 1 452.549 4.515 20 0 JJADMO Cc1csc([C@H](C)Cn2c(CC(C)C)nnc2N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1 ZINC001492637828 1066724573 /nfs/dbraw/zinc/72/45/73/1066724573.db2.gz AFMFWRLMQLNYAX-LJQANCHMSA-N 1 1 470.662 4.897 20 0 JJADMO Cc1csc([C@@H](C)Cn2c(CC(C)C)nnc2N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1 ZINC001492637827 1066724618 /nfs/dbraw/zinc/72/46/18/1066724618.db2.gz AFMFWRLMQLNYAX-IBGZPJMESA-N 1 1 470.662 4.897 20 0 JJADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001456936519 1066726006 /nfs/dbraw/zinc/72/60/06/1066726006.db2.gz JGMXOWWLMUDZJF-RPWUZVMVSA-N 1 1 457.659 4.831 20 0 JJADMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3nc(Br)ccc3Br)c2C1 ZINC001446632074 1066727194 /nfs/dbraw/zinc/72/71/94/1066727194.db2.gz DVBYGVIXVMZZIF-UHFFFAOYSA-N 1 1 453.178 4.831 20 0 JJADMO COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc3c2C[N@@H+](CC(C)C)C3)c1 ZINC001446635767 1066727221 /nfs/dbraw/zinc/72/72/21/1066727221.db2.gz KBWHXDPVDQRLDW-QHCPKHFHSA-N 1 1 453.583 4.871 20 0 JJADMO CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@@H](c1ccccc1)c1cc(Cl)ccc1Cl)n2C ZINC001446641149 1066727769 /nfs/dbraw/zinc/72/77/69/1066727769.db2.gz HEQYURIAWRVILQ-FQEVSTJZSA-N 1 1 454.361 4.861 20 0 JJADMO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)CC1 ZINC001456977444 1066734413 /nfs/dbraw/zinc/73/44/13/1066734413.db2.gz GTUNURRWOMDONJ-IBGZPJMESA-N 1 1 459.928 4.767 20 0 JJADMO Cc1csc([C@H]2CN(c3nnc(-c4ccccc4Cl)n3CCC[N@H+](C)C(C)C)CCO2)n1 ZINC001492641601 1066734925 /nfs/dbraw/zinc/73/49/25/1066734925.db2.gz MVCAJGLQQYHVHN-HXUWFJFHSA-N 1 1 475.062 4.672 20 0 JJADMO CC[N@@H+](CCC1CCN(C(=O)[C@H]2CCOc3ccc(Br)cc32)CC1)CC(C)C ZINC001446742957 1066735443 /nfs/dbraw/zinc/73/54/43/1066735443.db2.gz MOUNCZZBHSNZMK-FQEVSTJZSA-N 1 1 451.449 4.922 20 0 JJADMO O=C(COc1ccc(F)cc1Cl)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456989745 1066737680 /nfs/dbraw/zinc/73/76/80/1066737680.db2.gz ZXPYACZMYKGIPC-QGZVFWFLSA-N 1 1 458.883 4.771 20 0 JJADMO Cc1csc([C@@H]2CCCN(c3nnc(-c4ccc(Cl)nc4)n3CCC[N@H+](C)C(C)C)C2)n1 ZINC001492643088 1066738190 /nfs/dbraw/zinc/73/81/90/1066738190.db2.gz YSEYBLWFXMMXAS-LJQANCHMSA-N 1 1 474.078 4.873 20 0 JJADMO CCn1nc(C(F)(F)F)c(C(=O)N2CCC(CC[N@@H+](CC)CC3CC3)CC2)c1C(F)F ZINC001446782652 1066738508 /nfs/dbraw/zinc/73/85/08/1066738508.db2.gz SDHHJDVSVXRIIY-UHFFFAOYSA-N 1 1 450.496 4.834 20 0 JJADMO CC[N@@H+](CCC1CCN(C(=O)[C@H](NC(=O)c2ccc(Cl)s2)C(C)C)CC1)CC1CC1 ZINC001446781963 1066738576 /nfs/dbraw/zinc/73/85/76/1066738576.db2.gz NCJAGVCEQMSGPP-OAQYLSRUSA-N 1 1 454.080 4.517 20 0 JJADMO CC[N@@H+](CCC1CCN(C(=O)CSc2nccn2-c2ccc(C)c(C)c2)CC1)CC1CC1 ZINC001446783469 1066738604 /nfs/dbraw/zinc/73/86/04/1066738604.db2.gz YOYFNRICCWXCCN-UHFFFAOYSA-N 1 1 454.684 4.942 20 0 JJADMO O=C([C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCC(n2cc(Cl)cn2)CC1 ZINC001446791128 1066740474 /nfs/dbraw/zinc/74/04/74/1066740474.db2.gz GSBCDONQJGNZLE-XMMPIXPASA-N 1 1 454.977 4.741 20 0 JJADMO CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[N@H+]2CCCC(C)(C)C2)CCO1 ZINC001546086859 1066757721 /nfs/dbraw/zinc/75/77/21/1066757721.db2.gz AAFZIUZIIVACAT-VWLOTQADSA-N 1 1 476.065 4.734 20 0 JJADMO COc1c(N)c(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)cc(Cl)c1Br ZINC001446975643 1066760332 /nfs/dbraw/zinc/76/03/32/1066760332.db2.gz UMTTZRKSLWQIDR-UHFFFAOYSA-N 1 1 452.780 4.582 20 0 JJADMO C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)c3cc(Cl)cc(Cl)c3N)cc2)C[C@H]1C ZINC001446987570 1066762580 /nfs/dbraw/zinc/76/25/80/1066762580.db2.gz YGJSCONIAREVKD-IYBDPMFKSA-N 1 1 450.410 4.515 20 0 JJADMO Cc1nc(C)c(CCn2c(N(C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)s1 ZINC001492656964 1066769881 /nfs/dbraw/zinc/76/98/81/1066769881.db2.gz KFRDTNZFPCFMIF-NRFANRHFSA-N 1 1 452.672 4.602 20 0 JJADMO CC(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2OCCC[N@H+](C)C2CCCC2)c1 ZINC001457161912 1066776973 /nfs/dbraw/zinc/77/69/73/1066776973.db2.gz IYELLJNVSIYZFD-UHFFFAOYSA-N 1 1 458.002 4.872 20 0 JJADMO CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@@H+](C)C2CCCCC2)CCO1 ZINC001546087991 1066778734 /nfs/dbraw/zinc/77/87/34/1066778734.db2.gz XWWWORONTOEXQD-XMMPIXPASA-N 1 1 461.054 4.653 20 0 JJADMO CC(C)(C)n1cc(Br)c(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n1 ZINC001457179482 1066781185 /nfs/dbraw/zinc/78/11/85/1066781185.db2.gz UOPKMFPLPGOIKO-QHCPKHFHSA-N 1 1 459.432 4.529 20 0 JJADMO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NCC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001457195880 1066784876 /nfs/dbraw/zinc/78/48/76/1066784876.db2.gz MIMMBYYJFJGHBJ-VWNXMTODSA-N 1 1 457.659 4.893 20 0 JJADMO Cc1nc(Cc2nnc(N(C)Cc3ccc(F)cc3F)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001492665991 1066788826 /nfs/dbraw/zinc/78/88/26/1066788826.db2.gz DJMZAQWNEXHOOT-IAGOWNOFSA-N 1 1 474.625 4.669 20 0 JJADMO Cc1nc(Cc2nnc(N(C)C[C@@H]3CCCO[C@H]3c3ccccc3)n2CC[N@H+](C)C(C)C)cs1 ZINC001492667890 1066794942 /nfs/dbraw/zinc/79/49/42/1066794942.db2.gz RWKNBRWZTRCYLX-DHLKQENFSA-N 1 1 482.698 4.578 20 0 JJADMO O=C(Nc1ccc([S@](=O)C(F)(F)F)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001457254893 1066798257 /nfs/dbraw/zinc/79/82/57/1066798257.db2.gz XJKHZCYAWGNTDE-ACIAVJDNSA-N 1 1 479.549 4.625 20 0 JJADMO Cc1nc(Cc2nnc(N3CC=C(C(F)(F)F)CC3)n2CCC[N@@H+]2CCCC[C@H]2C)cs1 ZINC001492672006 1066803794 /nfs/dbraw/zinc/80/37/94/1066803794.db2.gz KYMCOQWYCSOXDI-MRXNPFEDSA-N 1 1 468.593 4.597 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2CCC[N@H+](C)C(C)C)cs1 ZINC001492673194 1066806162 /nfs/dbraw/zinc/80/61/62/1066806162.db2.gz NYBWAYYGRPFRJT-UHFFFAOYSA-N 1 1 498.541 4.685 20 0 JJADMO Cc1nc(Cc2nnc(N3CC[C@H]([N@@H+](C)Cc4ccccc4)C3)n2CCCC(C)C)cs1 ZINC001492674427 1066809171 /nfs/dbraw/zinc/80/91/71/1066809171.db2.gz ASOCHSLONJPJHU-QHCPKHFHSA-N 1 1 452.672 4.781 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CCCC(F)(F)F)cs1 ZINC001492675277 1066810960 /nfs/dbraw/zinc/81/09/60/1066810960.db2.gz RXTFPRQLDMVDTA-UHFFFAOYSA-N 1 1 458.598 4.533 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC001492676838 1066814791 /nfs/dbraw/zinc/81/47/91/1066814791.db2.gz POEIHCXBKZWERD-MSOLQXFVSA-N 1 1 470.609 4.533 20 0 JJADMO CC[C@H]1CN(C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001447498674 1066815471 /nfs/dbraw/zinc/81/54/71/1066815471.db2.gz MACCZYOHGMNCJO-HOFKKMOUSA-N 1 1 451.611 4.550 20 0 JJADMO CC[C@H]1CN(C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001447498674 1066815475 /nfs/dbraw/zinc/81/54/75/1066815475.db2.gz MACCZYOHGMNCJO-HOFKKMOUSA-N 1 1 451.611 4.550 20 0 JJADMO O=C(NCc1cc(Cl)cc2c1OCC2)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001447508704 1066816881 /nfs/dbraw/zinc/81/68/81/1066816881.db2.gz OGBKOCBESKMUIG-XMMPIXPASA-N 1 1 452.957 4.932 20 0 JJADMO CC[C@@H]1CN(C(=O)COc2ccc(Cl)cc2Br)CC[N@H+]1Cc1ccccc1 ZINC001447514048 1066817361 /nfs/dbraw/zinc/81/73/61/1066817361.db2.gz VBCRSLFODYPUBB-GOSISDBHSA-N 1 1 451.792 4.604 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CCC[N@H+](C)Cc2ccccc2)cs1 ZINC001492678929 1066819997 /nfs/dbraw/zinc/81/99/97/1066819997.db2.gz QTPOUTLSBOCYHC-DEOSSOPVSA-N 1 1 496.725 4.940 20 0 JJADMO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)NCCN(C)Cc2ccc(F)cc2)c1 ZINC001457396446 1066821917 /nfs/dbraw/zinc/82/19/17/1066821917.db2.gz XCNRUHWLAOJGFD-WUFINQPMSA-N 1 1 459.609 4.598 20 0 JJADMO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)NCCN(C)Cc2ccc(F)cc2)c1 ZINC001457396446 1066821929 /nfs/dbraw/zinc/82/19/29/1066821929.db2.gz XCNRUHWLAOJGFD-WUFINQPMSA-N 1 1 459.609 4.598 20 0 JJADMO CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)c2cccc3cccc(Br)c32)C1 ZINC001447566263 1066822625 /nfs/dbraw/zinc/82/26/25/1066822625.db2.gz BXCXCIDJCJNIPN-UHFFFAOYSA-N 1 1 453.380 4.984 20 0 JJADMO CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)Cc2csc(-c3ccccc3Cl)n2)C1 ZINC001447569846 1066823675 /nfs/dbraw/zinc/82/36/75/1066823675.db2.gz WBYDSSCGTSUMQH-UHFFFAOYSA-N 1 1 456.011 4.774 20 0 JJADMO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC001447580974 1066825482 /nfs/dbraw/zinc/82/54/82/1066825482.db2.gz FKFVPVNYLNRALW-QFIPXVFZSA-N 1 1 453.007 4.988 20 0 JJADMO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)/C(=C\c1cccc(Cl)c1)c1cccs1 ZINC001447580860 1066825537 /nfs/dbraw/zinc/82/55/37/1066825537.db2.gz DSLFHYOOIQJWMD-QPHMKDBKSA-N 1 1 453.007 4.825 20 0 JJADMO Cc1nc(Cc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001492683718 1066826586 /nfs/dbraw/zinc/82/65/86/1066826586.db2.gz GUECGVLVQLVKHM-AXVVYFOYSA-N 1 1 484.636 4.636 20 0 JJADMO Cc1nc(Cc2nnc(N3CCSC(C)(C)C3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)cs1 ZINC001492683791 1066827160 /nfs/dbraw/zinc/82/71/60/1066827160.db2.gz IOAQTHCXYANIJZ-HXUWFJFHSA-N 1 1 491.130 4.922 20 0 JJADMO Cc1nc(C[C@H]2CCCN(c3nnc(CC(C)C)n3C[C@@H](c3ccccc3Cl)[NH+](C)C)C2)no1 ZINC001492685158 1066829102 /nfs/dbraw/zinc/82/91/02/1066829102.db2.gz QJMCYUCTZFOOSF-KNQAVFIVSA-N 1 1 486.064 4.583 20 0 JJADMO Cc1nc(C[C@@H]2CCCN(c3nnc(CC(C)C)n3C[C@H](c3ccccc3Cl)[NH+](C)C)C2)no1 ZINC001492685159 1066829758 /nfs/dbraw/zinc/82/97/58/1066829758.db2.gz QJMCYUCTZFOOSF-SIKLNZKXSA-N 1 1 486.064 4.583 20 0 JJADMO Cc1nc2ccccc2n1CCn1c(CC(C)(C)C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001492694069 1066839318 /nfs/dbraw/zinc/83/93/18/1066839318.db2.gz CNJAOMMLEADLAM-UHFFFAOYSA-N 1 1 451.663 4.536 20 0 JJADMO Cc1ncc(CN(C)c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)s1 ZINC001492698408 1066850879 /nfs/dbraw/zinc/85/08/79/1066850879.db2.gz WOADXCFZBGCJBS-ROUUACIJSA-N 1 1 456.635 4.530 20 0 JJADMO Cc1ncc(CN(C)c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)s1 ZINC001492698407 1066851017 /nfs/dbraw/zinc/85/10/17/1066851017.db2.gz WOADXCFZBGCJBS-QZTJIDSGSA-N 1 1 456.635 4.530 20 0 JJADMO CN(C(=O)c1ccc(OC(F)F)c(Br)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001457533861 1066853519 /nfs/dbraw/zinc/85/35/19/1066853519.db2.gz GQXYOCMWJSSCDX-KRWDZBQOSA-N 1 1 453.327 4.787 20 0 JJADMO CN(C(=O)c1ccc(OC(F)F)c(Br)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001457533870 1066853729 /nfs/dbraw/zinc/85/37/29/1066853729.db2.gz GQXYOCMWJSSCDX-QGZVFWFLSA-N 1 1 453.327 4.787 20 0 JJADMO CC[C@H](NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001457545106 1066857247 /nfs/dbraw/zinc/85/72/47/1066857247.db2.gz QWFKZLIAQXLUFY-QLCOJLISSA-N 1 1 458.602 4.917 20 0 JJADMO CC[C@H](NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001457545106 1066857261 /nfs/dbraw/zinc/85/72/61/1066857261.db2.gz QWFKZLIAQXLUFY-QLCOJLISSA-N 1 1 458.602 4.917 20 0 JJADMO Cc1ncc(Cn2c(CC(C)(C)C)nnc2N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)s1 ZINC001492701444 1066858584 /nfs/dbraw/zinc/85/85/84/1066858584.db2.gz UXYHHDWTAPESJC-UHFFFAOYSA-N 1 1 456.635 4.531 20 0 JJADMO CC[C@H](NC(=O)CCCOc1ccc(C(C)(C)C)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001457548483 1066858561 /nfs/dbraw/zinc/85/85/61/1066858561.db2.gz UXPZWLIOIMVPRS-UIOOFZCWSA-N 1 1 452.639 4.939 20 0 JJADMO CC[C@H](NC(=O)CCCOc1ccc(C(C)(C)C)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001457548483 1066858570 /nfs/dbraw/zinc/85/85/70/1066858570.db2.gz UXPZWLIOIMVPRS-UIOOFZCWSA-N 1 1 452.639 4.939 20 0 JJADMO CC[C@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001457552410 1066859378 /nfs/dbraw/zinc/85/93/78/1066859378.db2.gz YFVNIKALWPUWNF-FPOVZHCZSA-N 1 1 458.027 4.678 20 0 JJADMO CC[C@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001457552410 1066859388 /nfs/dbraw/zinc/85/93/88/1066859388.db2.gz YFVNIKALWPUWNF-FPOVZHCZSA-N 1 1 458.027 4.678 20 0 JJADMO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)c1cc2cc(Br)ccc2s1 ZINC001457559507 1066861222 /nfs/dbraw/zinc/86/12/22/1066861222.db2.gz CWHUSBMOAYMDBT-UHFFFAOYSA-N 1 1 451.430 4.676 20 0 JJADMO Cc1ccc(/C=C/c2cc(C(=O)NC[C@H]3CC[N@H+](C)C3)c3cc(Br)ccc3n2)o1 ZINC001457559590 1066861404 /nfs/dbraw/zinc/86/14/04/1066861404.db2.gz RRLQCSGATUPPGB-BIENSFFJSA-N 1 1 454.368 4.751 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c(CC(C)(C)C)nnc2N(C)[C@@H](C)CCc2ccc(O)cc2)cn1 ZINC001492703563 1066861620 /nfs/dbraw/zinc/86/16/20/1066861620.db2.gz AYNLKGAJEYPPCN-FQEVSTJZSA-N 1 1 487.652 4.967 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c(C(C)C)nnc2N2CCC[C@H](OCC(F)(F)F)C2)cc1F ZINC001492704316 1066862496 /nfs/dbraw/zinc/86/24/96/1066862496.db2.gz YDZPANRAATZWBE-SFHVURJKSA-N 1 1 480.510 4.631 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001492704879 1066863886 /nfs/dbraw/zinc/86/38/86/1066863886.db2.gz PICUUPCKNGICRA-FQEVSTJZSA-N 1 1 454.594 4.853 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2ccc(Br)cc2)nnc1N(C)[C@H]1CCSC1 ZINC001492705784 1066866025 /nfs/dbraw/zinc/86/60/25/1066866025.db2.gz RCJLUZFGXJMNIK-IBGZPJMESA-N 1 1 475.460 4.635 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001492705829 1066866061 /nfs/dbraw/zinc/86/60/61/1066866061.db2.gz STKVEVDEQYCBKB-UHFFFAOYSA-N 1 1 494.949 4.932 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(C(C)C)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001492705885 1066866134 /nfs/dbraw/zinc/86/61/34/1066866134.db2.gz VHMJGSNPLJGAPH-NRFANRHFSA-N 1 1 476.547 4.984 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)nnc2C(C)(C)C)cc1F ZINC001492705834 1066866172 /nfs/dbraw/zinc/86/61/72/1066866172.db2.gz SYDOLOCZXUMLHQ-IYBDPMFKSA-N 1 1 460.548 4.985 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCSC[C@@H]1C ZINC001492705677 1066866236 /nfs/dbraw/zinc/86/62/36/1066866236.db2.gz NXTZVMQMFCZGTA-INIZCTEOSA-N 1 1 475.460 4.635 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](C)C(C)(C)C1 ZINC001492706252 1066867391 /nfs/dbraw/zinc/86/73/91/1066867391.db2.gz HTHGTTWJZWIXTF-IBGZPJMESA-N 1 1 454.594 4.854 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1Nc1cnn(C)c1 ZINC001492706101 1066867728 /nfs/dbraw/zinc/86/77/28/1066867728.db2.gz CIQPVYVUHCMDNE-UHFFFAOYSA-N 1 1 475.384 4.626 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001492706302 1066868364 /nfs/dbraw/zinc/86/83/64/1066868364.db2.gz IZJCQECYTCBRSV-UHFFFAOYSA-N 1 1 486.611 4.916 20 0 JJADMO O=C(N[C@@H](Cc1cccc(Br)c1)CC1CC1)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001447845498 1066868575 /nfs/dbraw/zinc/86/85/75/1066868575.db2.gz ICEHJKCLTPNMNB-PKTZIBPZSA-N 1 1 456.428 4.726 20 0 JJADMO O=C(N[C@@H](Cc1cccc(Br)c1)CC1CC1)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001447845498 1066868583 /nfs/dbraw/zinc/86/85/83/1066868583.db2.gz ICEHJKCLTPNMNB-PKTZIBPZSA-N 1 1 456.428 4.726 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001492706627 1066869020 /nfs/dbraw/zinc/86/90/20/1066869020.db2.gz UASQVLIJBMFSHQ-UHFFFAOYSA-N 1 1 464.511 4.772 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001492706858 1066869890 /nfs/dbraw/zinc/86/98/90/1066869890.db2.gz CJFXUWUJEYHXKD-OAQYLSRUSA-N 1 1 457.022 4.978 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001492708389 1066872308 /nfs/dbraw/zinc/87/23/08/1066872308.db2.gz YMBUFBSQTBRFQQ-IAGOWNOFSA-N 1 1 457.420 4.785 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C)C1 ZINC001492708821 1066873188 /nfs/dbraw/zinc/87/31/88/1066873188.db2.gz MSOYJGLJCYDANC-HXUWFJFHSA-N 1 1 450.631 4.986 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CCC(F)(F)F)CC1CC1 ZINC001492709489 1066873836 /nfs/dbraw/zinc/87/38/36/1066873836.db2.gz KQVNWGZERSUUNF-WOJBJXKFSA-N 1 1 482.595 4.961 20 0 JJADMO Cc1[nH+]ccn1CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001492709222 1066873930 /nfs/dbraw/zinc/87/39/30/1066873930.db2.gz BZYFLMAGSBQLRZ-RDJZCZTQSA-N 1 1 466.483 4.541 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Br)s2)nnc1N1CCS[C@H](C(C)C)C1 ZINC001492710072 1066874701 /nfs/dbraw/zinc/87/47/01/1066874701.db2.gz CBYUAHXYOGHOAP-INIZCTEOSA-N 1 1 481.489 4.552 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C)C(C)(C)C1 ZINC001492710284 1066875252 /nfs/dbraw/zinc/87/52/52/1066875252.db2.gz JUWRSRNIQQFUHB-INIZCTEOSA-N 1 1 457.420 4.785 20 0 JJADMO Cc1[nH+]ccn1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CCC1CCOCC1 ZINC001492711863 1066876716 /nfs/dbraw/zinc/87/67/16/1066876716.db2.gz IWPAWBFRIXIIHP-UHFFFAOYSA-N 1 1 480.657 4.613 20 0 JJADMO Cc1[nH+]ccn1CCn1c(Cc2ccccc2F)nnc1N(C)Cc1cc(Br)cs1 ZINC001492711821 1066876918 /nfs/dbraw/zinc/87/69/18/1066876918.db2.gz HRUDUUFNWACLCB-UHFFFAOYSA-N 1 1 489.418 4.674 20 0 JJADMO Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC001457609773 1066877294 /nfs/dbraw/zinc/87/72/94/1066877294.db2.gz IQYKUJZGGSHERR-SANMLTNESA-N 1 1 450.671 4.950 20 0 JJADMO Cc1[nH+]ccn1CCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001492711895 1066877592 /nfs/dbraw/zinc/87/75/92/1066877592.db2.gz KIAAOMIXTRIRCD-QGZVFWFLSA-N 1 1 487.446 4.697 20 0 JJADMO Cc1[nH+]ccn1CCn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ccc(Cl)s1 ZINC001492712173 1066877617 /nfs/dbraw/zinc/87/76/17/1066877617.db2.gz VEJXVFMUTIPRPJ-UHFFFAOYSA-N 1 1 462.957 4.704 20 0 JJADMO Cc1[nH+]ccn1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(C)(C)CC1 ZINC001492712162 1066877675 /nfs/dbraw/zinc/87/76/75/1066877675.db2.gz URTXMCGQARFMCJ-UHFFFAOYSA-N 1 1 450.631 4.986 20 0 JJADMO Cc1[nH+]ccn1CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C)CC1 ZINC001492712027 1066877812 /nfs/dbraw/zinc/87/78/12/1066877812.db2.gz PRIPNCMMZHBEBP-INIZCTEOSA-N 1 1 463.413 4.995 20 0 JJADMO Cc1[nH+]ccn1CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001492712771 1066878623 /nfs/dbraw/zinc/87/86/23/1066878623.db2.gz NRGIHHAWIGMLGQ-INIZCTEOSA-N 1 1 466.989 4.910 20 0 JJADMO Cc1nn(C)c(C)c1CN(C)c1nnc(C(C)C)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001492716687 1066882557 /nfs/dbraw/zinc/88/25/57/1066882557.db2.gz TYQWDFKTPIRBFB-YKSBVNFPSA-N 1 1 463.674 4.689 20 0 JJADMO Cc1nn(C)c(C)c1CN(C)c1nnc(C(C)(C)C)n1C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001492716809 1066882717 /nfs/dbraw/zinc/88/27/17/1066882717.db2.gz YJZSMBVAQQGKMM-DEOSSOPVSA-N 1 1 477.701 4.865 20 0 JJADMO O=C(N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001448008955 1066889738 /nfs/dbraw/zinc/88/97/38/1066889738.db2.gz YFLKQXJUMZKKCS-XXBNENTESA-N 1 1 456.428 4.899 20 0 JJADMO CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001457688586 1066897895 /nfs/dbraw/zinc/89/78/95/1066897895.db2.gz DDDCSGXCDLQGEI-LVCYWYKZSA-N 1 1 454.442 4.612 20 0 JJADMO Cc1cc(C)n([C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)C2)n1 ZINC001492729053 1066898638 /nfs/dbraw/zinc/89/86/38/1066898638.db2.gz SPHSCXLXRYJVGA-ZFGGDYGUSA-N 1 1 469.722 4.989 20 0 JJADMO C[C@@H](C(=O)Nc1cc(-c2ccc(Br)o2)no1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001457704971 1066900314 /nfs/dbraw/zinc/90/03/14/1066900314.db2.gz VDVRYRPQGJQFCO-HNNXBMFYSA-N 1 1 458.356 4.979 20 0 JJADMO COc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc1 ZINC001448127266 1066903057 /nfs/dbraw/zinc/90/30/57/1066903057.db2.gz ULHYRBIXLXZBCK-AREMUKBSSA-N 1 1 457.574 4.588 20 0 JJADMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001448126882 1066903130 /nfs/dbraw/zinc/90/31/30/1066903130.db2.gz UOJZRFHVDWDOAD-PKTZIBPZSA-N 1 1 451.611 4.798 20 0 JJADMO Cc1cc(C)n([C@H]2CCCN(c3nnc(CC(C)C)n3CCC[N@@H+](C)Cc3ccccc3)C2)n1 ZINC001492731785 1066903438 /nfs/dbraw/zinc/90/34/38/1066903438.db2.gz XAXXZCJQDPCBHW-VWLOTQADSA-N 1 1 463.674 4.654 20 0 JJADMO Cc1cc(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC001457716849 1066903832 /nfs/dbraw/zinc/90/38/32/1066903832.db2.gz LTMPKYLVELXOCY-YMPZKCBVSA-N 1 1 481.641 4.613 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccccc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492732811 1066906067 /nfs/dbraw/zinc/90/60/67/1066906067.db2.gz WKMAUZSWJJMMRR-ZFGGDYGUSA-N 1 1 463.674 4.705 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)cc3F)n2CCCC[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001492735584 1066909384 /nfs/dbraw/zinc/90/93/84/1066909384.db2.gz BNHFKNGRHAZAPU-LJQANCHMSA-N 1 1 485.627 4.566 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)cc3)n2CCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC001492735921 1066909783 /nfs/dbraw/zinc/90/97/83/1066909783.db2.gz OKXGDAIWSCJWOH-OAQYLSRUSA-N 1 1 467.637 4.570 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C(F)(F)F)cc3)n2CC[N@@H+](C)C2CCCC2)n1 ZINC001492736251 1066911101 /nfs/dbraw/zinc/91/11/01/1066911101.db2.gz ZDHPGVZVTXJVJV-UHFFFAOYSA-N 1 1 489.590 4.669 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(CC(C)C)C(C)C)n2C[C@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC001492740173 1066915465 /nfs/dbraw/zinc/91/54/65/1066915465.db2.gz KKODFUYYMHRTTP-HSZRJFAPSA-N 1 1 472.081 4.967 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCC(C(F)(F)F)CC3)n2CCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC001492744283 1066919735 /nfs/dbraw/zinc/91/97/35/1066919735.db2.gz LNDJANOFSZKSBN-IBGZPJMESA-N 1 1 481.611 4.573 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492749358 1066924209 /nfs/dbraw/zinc/92/42/09/1066924209.db2.gz ZAWALXISRCLUPI-XQBPLPMBSA-N 1 1 495.638 4.677 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)n2CCCC(C)(C)C)n1 ZINC001492751955 1066926303 /nfs/dbraw/zinc/92/63/03/1066926303.db2.gz WNOUPGINGFVEQH-UHFFFAOYSA-N 1 1 481.664 4.817 20 0 JJADMO CCc1ccc([C@H]2CN(C(=O)CCc3nc4cc(Br)ccc4s3)CC[NH2+]2)cc1 ZINC001448448000 1066928570 /nfs/dbraw/zinc/92/85/70/1066928570.db2.gz ICJQRWXQKAMLNK-LJQANCHMSA-N 1 1 458.425 4.727 20 0 JJADMO Cc1cc(C)n(CC2CCN(c3nnc(C(C)C)n3CCCC[N@H+]3CCC[C@H](C)C3)CC2)n1 ZINC001492758220 1066929681 /nfs/dbraw/zinc/92/96/81/1066929681.db2.gz XQPAKFYVWCFJSA-NRFANRHFSA-N 1 1 455.695 4.644 20 0 JJADMO C[N@H+]1CCC[C@H](c2cccc(C(=O)N3C[C@@H](c4ccccc4F)[C@H](NC(=O)OC(C)(C)C)C3)c2)C1 ZINC001457869210 1066933593 /nfs/dbraw/zinc/93/35/93/1066933593.db2.gz XKOWFXASSLHYHL-UMXIMWEHSA-N 1 1 481.612 4.768 20 0 JJADMO Cc1ccc(C)c(N2CCN(C(=O)[C@H](F)C[NH+](Cc3ccccc3)Cc3ccccc3)CC2)c1 ZINC001546007460 1066935913 /nfs/dbraw/zinc/93/59/13/1066935913.db2.gz XBJDYEFAAIBPDB-HHHXNRCGSA-N 1 1 459.609 4.993 20 0 JJADMO Cc1c[nH+]ccc1OC1CCN(C(=O)C[C@@H]2c3ccccc3CN2C(=O)OC(C)(C)C)CC1 ZINC001448536817 1066937319 /nfs/dbraw/zinc/93/73/19/1066937319.db2.gz RVIPIHLDPJYNKJ-JOCHJYFZSA-N 1 1 451.567 4.642 20 0 JJADMO C[NH+](C)Cc1cc(NC(=O)CSc2nc3ccccc3nc2N2CCCC2)ccc1Cl ZINC001448543250 1066937979 /nfs/dbraw/zinc/93/79/79/1066937979.db2.gz UBZKSEPZDHDUGN-UHFFFAOYSA-N 1 1 456.015 4.676 20 0 JJADMO Cc1nnc(CCCn2c(CC(C)C)nnc2N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC001492766252 1066938907 /nfs/dbraw/zinc/93/89/07/1066938907.db2.gz GLYSJWKJHJRKEX-REWPJTCUSA-N 1 1 481.714 4.759 20 0 JJADMO COC(=O)c1cccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)c1N ZINC001448580094 1066940268 /nfs/dbraw/zinc/94/02/68/1066940268.db2.gz BJPPVEKSPVVHDX-FCHUYYIVSA-N 1 1 463.965 4.563 20 0 JJADMO Cc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001492776875 1066946445 /nfs/dbraw/zinc/94/64/45/1066946445.db2.gz JASLSULXDZHFOY-CRAIPNDOSA-N 1 1 495.981 4.530 20 0 JJADMO Cc1nnc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CCc1ccc(Br)s1 ZINC001492776499 1066946683 /nfs/dbraw/zinc/94/66/83/1066946683.db2.gz AQFLPMYDIHLXRI-LJQANCHMSA-N 1 1 474.472 4.754 20 0 JJADMO Cc1nnc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CCNc1ncc(Cl)cc1Cl ZINC001492777459 1066947076 /nfs/dbraw/zinc/94/70/76/1066947076.db2.gz WWGASMGKVJLAES-HXUWFJFHSA-N 1 1 474.440 4.501 20 0 JJADMO Cc1nnc(N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492785715 1066949104 /nfs/dbraw/zinc/94/91/04/1066949104.db2.gz SLWHRKPDFVIYJT-DDOAZUFRSA-N 1 1 453.675 4.949 20 0 JJADMO CCn1cc(C(=O)N(C)C[C@H]2CCCC[N@H+]2Cc2ccccc2)c(=O)c2cc(Cl)ccc21 ZINC001457977398 1066950745 /nfs/dbraw/zinc/95/07/45/1066950745.db2.gz CXGYWLCZWAKDLK-OAQYLSRUSA-N 1 1 451.998 4.802 20 0 JJADMO CCCCCC[C@H](C)N(Cc1ccc(Br)cc1)C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC001448687784 1066951382 /nfs/dbraw/zinc/95/13/82/1066951382.db2.gz ODYHASGLLXELQQ-VQTJNVASSA-N 1 1 452.481 4.773 20 0 JJADMO Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001492804121 1066953415 /nfs/dbraw/zinc/95/34/15/1066953415.db2.gz FSRODYVVTDCWKN-QGZVFWFLSA-N 1 1 465.564 4.856 20 0 JJADMO Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001492804119 1066953465 /nfs/dbraw/zinc/95/34/65/1066953465.db2.gz FSRODYVVTDCWKN-KRWDZBQOSA-N 1 1 465.564 4.856 20 0 JJADMO Cc1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001492804716 1066953888 /nfs/dbraw/zinc/95/38/88/1066953888.db2.gz OAPJNKDLQBUAQX-QFIPXVFZSA-N 1 1 491.080 4.626 20 0 JJADMO Cc1nnc(N2CCc3cc(OCC(C)(C)F)ccc3C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001492834360 1066955450 /nfs/dbraw/zinc/95/54/50/1066955450.db2.gz LEEPUPLIQKGDRJ-FQEVSTJZSA-N 1 1 457.638 4.931 20 0 JJADMO C[C@@H]1CN(C(=O)[C@@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001458005121 1066955879 /nfs/dbraw/zinc/95/58/79/1066955879.db2.gz QDDIFQAICKIOKF-CBJLPSGESA-N 1 1 457.659 4.972 20 0 JJADMO C[C@H](CC(=O)OCc1ccccc1)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001458002110 1066955908 /nfs/dbraw/zinc/95/59/08/1066955908.db2.gz WXUWBGLPMAHXOI-AGILITTLSA-N 1 1 462.615 4.602 20 0 JJADMO Cc1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1Cc1sccc1Br ZINC001492846743 1066957207 /nfs/dbraw/zinc/95/72/07/1066957207.db2.gz HBVFBAMPTBPVEE-WBVHZDCISA-N 1 1 452.466 4.550 20 0 JJADMO Cc1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001492847628 1066957614 /nfs/dbraw/zinc/95/76/14/1066957614.db2.gz KNCGBIDLEWTMBN-NQIIRXRSSA-N 1 1 465.564 4.819 20 0 JJADMO Cc1ccc(OCCC(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c(Br)c1 ZINC001458057891 1066963646 /nfs/dbraw/zinc/96/36/46/1066963646.db2.gz IQXABMZHWSKUHG-FPOVZHCZSA-N 1 1 459.428 4.943 20 0 JJADMO C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001448848610 1066963770 /nfs/dbraw/zinc/96/37/70/1066963770.db2.gz SPHXNMFMLIDPRA-WQDFSMHNSA-N 1 1 469.670 4.829 20 0 JJADMO CO[C@H](C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(Br)s1 ZINC001458059855 1066964543 /nfs/dbraw/zinc/96/45/43/1066964543.db2.gz QCYHSWNYZHFLBN-KNBMTAEXSA-N 1 1 451.430 4.615 20 0 JJADMO CCNc1ccc(Cl)cc1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001545702783 1066965282 /nfs/dbraw/zinc/96/52/82/1066965282.db2.gz NZAPHSOTKDXCEF-UHFFFAOYSA-N 1 1 450.808 4.929 20 0 JJADMO C[NH+](C)[C@@H](C(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1)c1ccc(Cl)cc1 ZINC001448882310 1066966773 /nfs/dbraw/zinc/96/67/73/1066966773.db2.gz APPHCGZLUGUDHY-VQTJNVASSA-N 1 1 450.808 4.808 20 0 JJADMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1cc(Br)ccc1C ZINC001458093306 1066972917 /nfs/dbraw/zinc/97/29/17/1066972917.db2.gz LAHSGTQRIIXRDA-FQEVSTJZSA-N 1 1 453.384 4.962 20 0 JJADMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)CCOc1ccc(F)c(Cl)c1 ZINC001458094451 1066973161 /nfs/dbraw/zinc/97/31/61/1066973161.db2.gz OZISWVMLFNJTFS-IBGZPJMESA-N 1 1 456.949 4.839 20 0 JJADMO CC[C@H](c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@@]1(C)CCCS1)c1ccccc1 ZINC001545720176 1066974335 /nfs/dbraw/zinc/97/43/35/1066974335.db2.gz SFFLILHNRXHSBO-WNCULLNHSA-N 1 1 485.742 4.900 20 0 JJADMO CC[C@@H](c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@]1(C)CCCS1)c1ccccc1 ZINC001545720175 1066974390 /nfs/dbraw/zinc/97/43/90/1066974390.db2.gz SFFLILHNRXHSBO-KCWPFWIISA-N 1 1 485.742 4.900 20 0 JJADMO CC[C@@H](c1nnc(N(C)Cc2cc(Cl)ccn2)n1C[C@@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC001545721437 1066975610 /nfs/dbraw/zinc/97/56/10/1066975610.db2.gz ACCSVRIYPSDFFS-AUSIDOKSSA-N 1 1 453.034 4.847 20 0 JJADMO CC[C@@H](c1nnc(N(C)Cc2scnc2C)n1CC[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC001545722023 1066976859 /nfs/dbraw/zinc/97/68/59/1066976859.db2.gz MBSYCPZPIXMQGE-SIKLNZKXSA-N 1 1 452.672 4.953 20 0 JJADMO CC[C@@H](c1nnc(N(C)Cc2ccoc2C)n1C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545722222 1066977884 /nfs/dbraw/zinc/97/78/84/1066977884.db2.gz QQPMWLZBFTURME-JWQCQUIFSA-N 1 1 465.642 4.715 20 0 JJADMO CC[C@@H](c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1C[C@@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC001545722549 1066978241 /nfs/dbraw/zinc/97/82/41/1066978241.db2.gz WIWGVQOCZIEVJM-DYESRHJHSA-N 1 1 489.590 4.691 20 0 JJADMO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)NC[C@](C)(Cc2ccccc2)[C@H](C)O)c1 ZINC001449048553 1066979492 /nfs/dbraw/zinc/97/94/92/1066979492.db2.gz QKRSSLOYYYAANC-OWTRXNHJSA-N 1 1 470.657 4.957 20 0 JJADMO CC[C@H](c1nnc(N(C)Cc2ccsc2)n1CC[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001545724166 1066980505 /nfs/dbraw/zinc/98/05/05/1066980505.db2.gz MQYQLXVNCZHATH-QFIPXVFZSA-N 1 1 453.656 4.629 20 0 JJADMO CC[C@H](c1nnc(N(C)Cc2ccsc2)n1CC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001545724166 1066980512 /nfs/dbraw/zinc/98/05/12/1066980512.db2.gz MQYQLXVNCZHATH-QFIPXVFZSA-N 1 1 453.656 4.629 20 0 JJADMO CC[C@H](c1nnc(N(C)Cc2ccsc2)n1C[C@H](C)[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001545724660 1066981741 /nfs/dbraw/zinc/98/17/41/1066981741.db2.gz VEJQKIUFKGJKPM-URXFXBBRSA-N 1 1 466.699 4.544 20 0 JJADMO CCCCc1nc(C)c(CC(=O)Nc2cc(C)nn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC001458127072 1066983441 /nfs/dbraw/zinc/98/34/41/1066983441.db2.gz ZMKBNMAZRQOREO-OAQYLSRUSA-N 1 1 451.640 4.927 20 0 JJADMO CC[N@@H+](Cc1ccc(C(=O)NC2(c3noc([C@H]4CCOC4)n3)CCCCCC2)cc1)C(C)C ZINC001458139019 1066985887 /nfs/dbraw/zinc/98/58/87/1066985887.db2.gz GSFCTEHVTWJSKP-QFIPXVFZSA-N 1 1 454.615 4.783 20 0 JJADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3ccccc3OCc3c(C)noc3C)C2)s1 ZINC001449179273 1066988047 /nfs/dbraw/zinc/98/80/47/1066988047.db2.gz WADFZCOSKLZGBZ-HXUWFJFHSA-N 1 1 453.608 4.834 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](C)S[C@@H](C)C2)n1CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC001545731154 1066989762 /nfs/dbraw/zinc/98/97/62/1066989762.db2.gz KVQNTSRGPOKKLP-HOUBMWHVSA-N 1 1 471.715 4.651 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC001545731156 1066990143 /nfs/dbraw/zinc/99/01/43/1066990143.db2.gz KVQNTSRGPOKKLP-ZPFZUWPUSA-N 1 1 471.715 4.651 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1CC[N@H+](C)[C@@H](C)CC)c1ccccc1 ZINC001545731336 1066990504 /nfs/dbraw/zinc/99/05/04/1066990504.db2.gz MVXHLOYAQAANLV-ZQRMPTRQSA-N 1 1 498.716 4.900 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](C)C[C@@H]2CC)n1CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC001545731468 1066991050 /nfs/dbraw/zinc/99/10/50/1066991050.db2.gz OQCXQKYYONEOGH-BPJRBCGYSA-N 1 1 453.675 4.946 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)n1Cc1ccc(Cl)nc1)c1ccccc1 ZINC001545731544 1066991619 /nfs/dbraw/zinc/99/16/19/1066991619.db2.gz PVNYJEOQXOYKIV-WOIUINJBSA-N 1 1 453.034 4.836 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1Cc1ccc(Cl)nc1)c1ccccc1 ZINC001545731543 1066991649 /nfs/dbraw/zinc/99/16/49/1066991649.db2.gz PVNYJEOQXOYKIV-NNMXDRDESA-N 1 1 453.034 4.836 20 0 JJADMO CCc1cccc2c3c([nH]c21)[C@@](CC)(CC(=O)N(C)CCC[N@@H+](C)Cc1ccco1)OCC3 ZINC001449232625 1066991747 /nfs/dbraw/zinc/99/17/47/1066991747.db2.gz ZISNHDLGOXVOFD-HHHXNRCGSA-N 1 1 451.611 4.872 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1CCCNc1ccccn1)c1ccccc1 ZINC001545731969 1066992427 /nfs/dbraw/zinc/99/24/27/1066992427.db2.gz VSJSNBRKSCFLEJ-WPFOTENUSA-N 1 1 461.658 4.636 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)n1CC[N@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001545733436 1066994406 /nfs/dbraw/zinc/99/44/06/1066994406.db2.gz BLZLMDSHOVFBET-JCYRPKCISA-N 1 1 494.728 4.681 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)n1CC[N@H+]1CCC[C@H]1C)c1ccccc1 ZINC001545733438 1066994559 /nfs/dbraw/zinc/99/45/59/1066994559.db2.gz BLZLMDSHOVFBET-MVERNJQCSA-N 1 1 494.728 4.681 20 0 JJADMO CC[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[N@H+](C(C)C)CC1)OC ZINC001546012702 1066994947 /nfs/dbraw/zinc/99/49/47/1066994947.db2.gz MSXDUQRSOUBKJR-QFIPXVFZSA-N 1 1 457.663 4.500 20 0 JJADMO CC[C@H](c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC001545733929 1066996365 /nfs/dbraw/zinc/99/63/65/1066996365.db2.gz KPZZXIYSXXQDMH-FTJBHMTQSA-N 1 1 480.745 4.966 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1CC[N@@H+](C)C(C)C)c1ccccc1 ZINC001545734402 1066997261 /nfs/dbraw/zinc/99/72/61/1066997261.db2.gz RWXXEWDQWYWZSZ-AREMUKBSSA-N 1 1 494.728 4.826 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(C(=O)NC)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545734525 1066997549 /nfs/dbraw/zinc/99/75/49/1066997549.db2.gz UTTHGIMAOAVXKZ-OTNCWRBYSA-N 1 1 494.728 4.539 20 0 JJADMO CC[C@@H](c1nnc(N2CC[C@H](C)[C@H](OC)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545735899 1066999489 /nfs/dbraw/zinc/99/94/89/1066999489.db2.gz IDNGLLVTVGFHSO-YLWPMPOJSA-N 1 1 483.701 4.569 20 0 JJADMO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(NCC[C@H](C)c3ccc(OC)cc3)c2c1C ZINC001458185015 1066999717 /nfs/dbraw/zinc/99/97/17/1066999717.db2.gz KCCZQYPCOZNDBG-HNNXBMFYSA-N 1 1 456.612 4.852 20 0 JJADMO CC[N@H+]1CCN(C(=O)Cc2sc(Nc3ccccc3OC)nc2-c2ccccc2)[C@H](C)C1 ZINC001449337852 1067001833 /nfs/dbraw/zinc/00/18/33/1067001833.db2.gz SJCYHNCIZJUHCQ-GOSISDBHSA-N 1 1 450.608 4.657 20 0 JJADMO CC[C@H](c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1Cc1nnc(C)s1)c1ccccc1 ZINC001545738038 1067001921 /nfs/dbraw/zinc/00/19/21/1067001921.db2.gz ANCQJAFNIXLGNT-QFIPXVFZSA-N 1 1 467.687 4.585 20 0 JJADMO CC[C@H](c1nnc(N2CC[C@@H](CC(C)C)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC001545738126 1067002108 /nfs/dbraw/zinc/00/21/08/1067002108.db2.gz CFLQXHDIQOBTIJ-ZCYQVOJMSA-N 1 1 466.718 4.718 20 0 JJADMO CC[C@H](c1nnc(N2CC[C@@H](CC(C)C)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001545738126 1067002115 /nfs/dbraw/zinc/00/21/15/1067002115.db2.gz CFLQXHDIQOBTIJ-ZCYQVOJMSA-N 1 1 466.718 4.718 20 0 JJADMO CC[C@H](c1nnc(N2CC[C@@H](CC(C)C)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001545738126 1067002124 /nfs/dbraw/zinc/00/21/24/1067002124.db2.gz CFLQXHDIQOBTIJ-ZCYQVOJMSA-N 1 1 466.718 4.718 20 0 JJADMO CC[C@H](c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@@](C)(O)C(C)C)c1ccccc1 ZINC001545738225 1067002314 /nfs/dbraw/zinc/00/23/14/1067002314.db2.gz DPOIIEBQTMVRJU-FUHCUZINSA-N 1 1 497.728 4.553 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC001545739055 1067004445 /nfs/dbraw/zinc/00/44/45/1067004445.db2.gz SDQGSZYFTYCJCZ-NFBKMPQASA-N 1 1 493.618 4.957 20 0 JJADMO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1 ZINC001458214167 1067004405 /nfs/dbraw/zinc/00/44/05/1067004405.db2.gz PCLUKTGOJONCOW-CJRSTVEYSA-N 1 1 455.643 4.501 20 0 JJADMO CCOC(=O)c1nc(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)ccc1Br ZINC001458219726 1067006467 /nfs/dbraw/zinc/00/64/67/1067006467.db2.gz NVWLMQXPQXQKSM-QHCPKHFHSA-N 1 1 458.400 4.513 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(N3CCCCC3=O)CC2)n1CCC[N@@H+](C)C(C)C)c1ccccc1 ZINC001545741885 1067009015 /nfs/dbraw/zinc/00/90/15/1067009015.db2.gz YHCGFIHKFVHKAY-RUZDIDTESA-N 1 1 480.701 4.532 20 0 JJADMO CC[C@H](c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC001545743065 1067009666 /nfs/dbraw/zinc/00/96/66/1067009666.db2.gz CWBKBAIIVNPACC-SFTDATJTSA-N 1 1 479.591 4.588 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CC[N@@H+](C)C1CCCC1)c1ccccc1 ZINC001545744049 1067011017 /nfs/dbraw/zinc/01/10/17/1067011017.db2.gz VPRKXMMJVOITRA-OAQYLSRUSA-N 1 1 479.591 4.588 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@](C)(OC)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545745911 1067013437 /nfs/dbraw/zinc/01/34/37/1067013437.db2.gz ICTHKXLLYGLKKR-OARDWFSCSA-N 1 1 483.701 4.572 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CC[N@H+](C)[C@@H](C)CC)c1ccccc1 ZINC001545748503 1067017508 /nfs/dbraw/zinc/01/75/08/1067017508.db2.gz BHHVCAWXHVIMTN-QPTUXGOLSA-N 1 1 482.717 4.681 20 0 JJADMO CNc1ccc(C(=O)Nc2cc(Br)ccc2N2CC[N@@H+](C)C[C@H]2C)c(Cl)c1 ZINC001449608594 1067017463 /nfs/dbraw/zinc/01/74/63/1067017463.db2.gz NIEIGNXUXMOMLE-CYBMUJFWSA-N 1 1 451.796 4.537 20 0 JJADMO Cc1ccc(F)c2[nH]c(C(=O)Nc3cc(Br)ccc3N3CC[N@H+](C)C[C@H]3C)cc21 ZINC001449609650 1067017826 /nfs/dbraw/zinc/01/78/26/1067017826.db2.gz RSURTCVQGIFJQV-CQSZACIVSA-N 1 1 459.363 4.771 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1C[C@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC001545749383 1067019655 /nfs/dbraw/zinc/01/96/55/1067019655.db2.gz NHHMIWAYDCKPRU-QPTUXGOLSA-N 1 1 453.675 4.946 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1C[C@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC001545749382 1067019800 /nfs/dbraw/zinc/01/98/00/1067019800.db2.gz NHHMIWAYDCKPRU-OEMFJLHTSA-N 1 1 453.675 4.946 20 0 JJADMO C[C@@H]1CN(C(=O)[C@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)C[C@H](C)[N@H+]1CCO ZINC001449688149 1067020515 /nfs/dbraw/zinc/02/05/15/1067020515.db2.gz VGQBBZPYVXIMJX-VWKPWSFCSA-N 1 1 453.435 4.740 20 0 JJADMO C[C@@H]1CN(C(=O)[C@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)C[C@H](C)[N@@H+]1CCO ZINC001449688149 1067020533 /nfs/dbraw/zinc/02/05/33/1067020533.db2.gz VGQBBZPYVXIMJX-VWKPWSFCSA-N 1 1 453.435 4.740 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@H]2C(C)C)n1C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001545750044 1067021914 /nfs/dbraw/zinc/02/19/14/1067021914.db2.gz XJUZITTXFRDXNG-DMDYGQEQSA-N 1 1 466.718 4.718 20 0 JJADMO CC[C@H](c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCCC1CCOCC1)c1ccccc1 ZINC001545751332 1067023314 /nfs/dbraw/zinc/02/33/14/1067023314.db2.gz DGEJAJFHOJMKLR-VWLOTQADSA-N 1 1 453.675 4.947 20 0 JJADMO CCSCc1ccc(NC(=O)[C@H](C[N@@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC001449732475 1067023899 /nfs/dbraw/zinc/02/38/99/1067023899.db2.gz NEFHRFJLJWDGPI-QFIPXVFZSA-N 1 1 457.640 4.904 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H]1CCCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC001449740069 1067024138 /nfs/dbraw/zinc/02/41/38/1067024138.db2.gz GRRPCFMRRUYKAY-NHCUHLMSSA-N 1 1 458.647 4.789 20 0 JJADMO CC[C@H](c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCNC(=O)c1cccs1)c1ccccc1 ZINC001545751654 1067024613 /nfs/dbraw/zinc/02/46/13/1067024613.db2.gz JKMKQJBYGWATJP-QFIPXVFZSA-N 1 1 494.709 4.622 20 0 JJADMO CC[C@H](c1nnc(N2CCCN(c3ncccc3F)CC2)n1CC[N@@H+](CC)C(C)C)c1ccccc1 ZINC001545751875 1067025795 /nfs/dbraw/zinc/02/57/95/1067025795.db2.gz NECYWNSXCOVCJF-DEOSSOPVSA-N 1 1 493.675 4.801 20 0 JJADMO CC[C@H](c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H]1CC(F)(F)CO1)c1ccccc1 ZINC001545752234 1067027403 /nfs/dbraw/zinc/02/74/03/1067027403.db2.gz SVIUEEQGCMUMIZ-SFTDATJTSA-N 1 1 461.601 4.555 20 0 JJADMO CC[C@H](c1nnc(N2CCCC[C@@H](SC)C2)n1CC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC001545752423 1067028178 /nfs/dbraw/zinc/02/81/78/1067028178.db2.gz XHZCBSVKLXYUBA-PKTZIBPZSA-N 1 1 471.715 4.653 20 0 JJADMO CC[C@@H](c1nnc(N2CCCC[C@@H](C)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1)c1ccccc1 ZINC001545752524 1067028844 /nfs/dbraw/zinc/02/88/44/1067028844.db2.gz YRRMKIHUSBKBKD-GPXOXTDOSA-N 1 1 453.675 4.803 20 0 JJADMO CC[C@H](c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCN(C)CC(F)(F)F)c1ccccc1 ZINC001545752581 1067028908 /nfs/dbraw/zinc/02/89/08/1067028908.db2.gz ZPTJNKIVHHQXFM-NRFANRHFSA-N 1 1 480.623 4.625 20 0 JJADMO C[N@H+]1CCN(C(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)CC12CCCCC2 ZINC001449888823 1067034148 /nfs/dbraw/zinc/03/41/48/1067034148.db2.gz BZJFZKPEIMEDNR-QHCPKHFHSA-N 1 1 454.014 4.678 20 0 JJADMO Cc1sc2nc(C)nc(SCC(=O)N[C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2c1C ZINC001458345899 1067036989 /nfs/dbraw/zinc/03/69/89/1067036989.db2.gz DDKYOLXPHMMABH-OXJNMPFZSA-N 1 1 454.665 4.735 20 0 JJADMO CC[C@@H](c1nnc(N2CC[N@@H+](CCOC)[C@H](CC)C2)n1CC1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC001545758499 1067038112 /nfs/dbraw/zinc/03/81/12/1067038112.db2.gz IEYYSQXJUABSBW-SAZLYLDSSA-N 1 1 483.701 4.571 20 0 JJADMO COc1ccc([C@@H](OC)[C@H](C)NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)cc1 ZINC001458348676 1067038630 /nfs/dbraw/zinc/03/86/30/1067038630.db2.gz LBIHXCFBSFJTJU-MPPVSAIVSA-N 1 1 450.623 4.826 20 0 JJADMO CC[C@H](c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1Cc1cnn(CC(C)C)c1C)c1ccccc1 ZINC001545758595 1067038951 /nfs/dbraw/zinc/03/89/51/1067038951.db2.gz JKAYLJAHEYWMBS-OFVILXPXSA-N 1 1 463.674 4.560 20 0 JJADMO Cc1cccc(CNC(=O)c2ccc(C(=O)N[C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)c1 ZINC001458349600 1067039111 /nfs/dbraw/zinc/03/91/11/1067039111.db2.gz MYAJZLQKCSSOLF-WXVAWEFUSA-N 1 1 455.602 4.565 20 0 JJADMO Cc1cccc(CNC(=O)c2ccc(C(=O)N[C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)c1 ZINC001458349592 1067039426 /nfs/dbraw/zinc/03/94/26/1067039426.db2.gz MYAJZLQKCSSOLF-CUNXSJBXSA-N 1 1 455.602 4.565 20 0 JJADMO CC[C@@H](c1nnc(N2CCN(CC(F)(F)F)CC2)n1CCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC001545759343 1067041876 /nfs/dbraw/zinc/04/18/76/1067041876.db2.gz WNKVVJIIGDOKEH-JTHBVZDNSA-N 1 1 492.634 4.769 20 0 JJADMO CC[C@H](c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CC(C)(C)CCOC)c1ccccc1 ZINC001545759412 1067042873 /nfs/dbraw/zinc/04/28/73/1067042873.db2.gz XTUHASUYOAWQJY-DHLKQENFSA-N 1 1 483.701 4.572 20 0 JJADMO CC[C@@H](c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545761196 1067044863 /nfs/dbraw/zinc/04/48/63/1067044863.db2.gz OFGNRDNUJCGORB-PEISPCAHSA-N 1 1 497.728 4.959 20 0 JJADMO Cc1ccc(NC(=O)CSc2ccccc2C(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cc1 ZINC001450061813 1067045928 /nfs/dbraw/zinc/04/59/28/1067045928.db2.gz HOINQOQURGURIV-HXUWFJFHSA-N 1 1 451.636 4.672 20 0 JJADMO CC[C@@H](c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC001545763303 1067047106 /nfs/dbraw/zinc/04/71/06/1067047106.db2.gz GTBBKYWMEMMRKW-FLFAWLEMSA-N 1 1 497.728 4.962 20 0 JJADMO CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001458387940 1067048204 /nfs/dbraw/zinc/04/82/04/1067048204.db2.gz QHYVGRHGCHZZPN-BUVFEPMLSA-N 1 1 454.920 4.987 20 0 JJADMO O=C(Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)C1(c2cccc(Br)c2)CCCCC1 ZINC001450123754 1067051378 /nfs/dbraw/zinc/05/13/78/1067051378.db2.gz ZIQLCLZDRADXDB-JOCHJYFZSA-N 1 1 457.412 4.856 20 0 JJADMO COc1ccc(OCCC(=O)N(Cc2ccncc2)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001450154041 1067054930 /nfs/dbraw/zinc/05/49/30/1067054930.db2.gz TWCXFTNTRHNRHQ-RUZDIDTESA-N 1 1 459.590 4.553 20 0 JJADMO COc1ccccc1OCCC(=O)N(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001450158002 1067056110 /nfs/dbraw/zinc/05/61/10/1067056110.db2.gz WRQYEZFIIUPGRH-VWLOTQADSA-N 1 1 459.590 4.553 20 0 JJADMO CC(=O)Nc1cc(C(=O)N(Cc2ccncc2)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1C ZINC001450160452 1067056276 /nfs/dbraw/zinc/05/62/76/1067056276.db2.gz ZIPUWEXCFOHNET-AREMUKBSSA-N 1 1 456.590 4.655 20 0 JJADMO O=C(c1cccc(CSc2c(Cl)cccc2Cl)c1)N1CC(C[NH+]2CCOCC2)C1 ZINC001450192962 1067058228 /nfs/dbraw/zinc/05/82/28/1067058228.db2.gz LFLVPWVWUKDEIE-UHFFFAOYSA-N 1 1 451.419 4.690 20 0 JJADMO CCC(CC)(Cn1c(-c2cccc(Br)c2)nnc1N1CCC[N@H+](C(C)C)CC1)OC ZINC001545771501 1067058917 /nfs/dbraw/zinc/05/89/17/1067058917.db2.gz QWAWVNZCHMSICX-UHFFFAOYSA-N 1 1 478.479 4.833 20 0 JJADMO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Cl)nc2C(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458445842 1067062287 /nfs/dbraw/zinc/06/22/87/1067062287.db2.gz FEFADERTNZNQNX-MEDUHNTESA-N 1 1 450.263 4.969 20 0 JJADMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(Cl)nc2C(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458445842 1067062304 /nfs/dbraw/zinc/06/23/04/1067062304.db2.gz FEFADERTNZNQNX-MEDUHNTESA-N 1 1 450.263 4.969 20 0 JJADMO Cc1ccc(C2(C(=O)NC[C@@H]3CC[N@H+](C)[C@H]3c3ccc(Cl)c(F)c3)CCOCC2)cc1C ZINC001458445443 1067062731 /nfs/dbraw/zinc/06/27/31/1067062731.db2.gz CGVYLKKBNCABLY-RDPSFJRHSA-N 1 1 459.005 4.953 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC12CCC2 ZINC001450241226 1067063444 /nfs/dbraw/zinc/06/34/44/1067063444.db2.gz QRRLQYQXPFQUII-VXKWHMMOSA-N 1 1 459.606 4.619 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC12CCC2 ZINC001450241226 1067063455 /nfs/dbraw/zinc/06/34/55/1067063455.db2.gz QRRLQYQXPFQUII-VXKWHMMOSA-N 1 1 459.606 4.619 20 0 JJADMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458449645 1067064347 /nfs/dbraw/zinc/06/43/47/1067064347.db2.gz SGHYEGFFYYQGOK-SIKLNZKXSA-N 1 1 459.993 4.678 20 0 JJADMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(OCc3ccccc3)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458449537 1067064394 /nfs/dbraw/zinc/06/43/94/1067064394.db2.gz RWOOYYVEURBXCW-CYFREDJKSA-N 1 1 453.945 4.876 20 0 JJADMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(OCc3ccccc3)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458449558 1067064693 /nfs/dbraw/zinc/06/46/93/1067064693.db2.gz RWOOYYVEURBXCW-YADARESESA-N 1 1 453.945 4.876 20 0 JJADMO CCC(O)(CC)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001546022332 1067074432 /nfs/dbraw/zinc/07/44/32/1067074432.db2.gz CHNNXVKAIRCMEX-FQEVSTJZSA-N 1 1 473.637 4.563 20 0 JJADMO CCOC(=O)c1sc2nc(C)nc(N3CC[N@@H+](Cc4ccccc4)C[C@@H]3C(C)C)c2c1C ZINC001458497595 1067074890 /nfs/dbraw/zinc/07/48/90/1067074890.db2.gz UPBJRDLCUNYXHD-HXUWFJFHSA-N 1 1 452.624 4.832 20 0 JJADMO CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)OC ZINC001545780869 1067076705 /nfs/dbraw/zinc/07/67/05/1067076705.db2.gz LRYJQIWMGNIXJF-QHCPKHFHSA-N 1 1 476.669 4.955 20 0 JJADMO CCOc1ccc([C@@H](O)C2CCN(C(=O)[C@@H]3CCCC[N@H+]3Cc3cccc(C)c3)CC2)cc1 ZINC001450415970 1067079149 /nfs/dbraw/zinc/07/91/49/1067079149.db2.gz RPPDLMBIAGZXKJ-RRPNLBNLSA-N 1 1 450.623 4.720 20 0 JJADMO CCC(CC)(Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1)SC ZINC001545783962 1067079509 /nfs/dbraw/zinc/07/95/09/1067079509.db2.gz HJGJBJLHJONRNI-NRFANRHFSA-N 1 1 451.725 4.998 20 0 JJADMO CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)OC ZINC001545784412 1067080947 /nfs/dbraw/zinc/08/09/47/1067080947.db2.gz SHYPTFJBUXEGBQ-VWNXMTODSA-N 1 1 475.722 4.858 20 0 JJADMO C[C@@H](Oc1ccccc1Br)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001458530422 1067082266 /nfs/dbraw/zinc/08/22/66/1067082266.db2.gz JJPPHUBFMUWFLT-LJQANCHMSA-N 1 1 457.412 4.731 20 0 JJADMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)[C@H](Oc2cccc(Br)c2)c2ccccc2)C1 ZINC001458586444 1067091370 /nfs/dbraw/zinc/09/13/70/1067091370.db2.gz KGCKIOMNBUZJQX-XZOQPEGZSA-N 1 1 451.364 4.872 20 0 JJADMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)[C@H](Oc2cccc(Br)c2)c2ccccc2)C1 ZINC001458586444 1067091385 /nfs/dbraw/zinc/09/13/85/1067091385.db2.gz KGCKIOMNBUZJQX-XZOQPEGZSA-N 1 1 451.364 4.872 20 0 JJADMO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@@H]3CC(C)(C)Oc4ccc(NC(=O)OC(C)(C)C)cc43)C[N@H+]2C1 ZINC001450555128 1067091309 /nfs/dbraw/zinc/09/13/09/1067091309.db2.gz OHJIDHFBZAIEOZ-QRKMNUTDSA-N 1 1 457.615 4.872 20 0 JJADMO CCC(CC)(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1)OC ZINC001545796934 1067097583 /nfs/dbraw/zinc/09/75/83/1067097583.db2.gz SPXYSLLMOUWZEO-MDNUFGMLSA-N 1 1 475.722 4.713 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)COc1ccc2ccccc2c1Br ZINC001458628485 1067098507 /nfs/dbraw/zinc/09/85/07/1067098507.db2.gz JLHVBMHWLRMOMY-DYESRHJHSA-N 1 1 453.380 4.618 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl ZINC001458626488 1067098676 /nfs/dbraw/zinc/09/86/76/1067098676.db2.gz HGNAAGYZKYEKQK-LAUBAEHRSA-N 1 1 458.002 4.866 20 0 JJADMO CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)c1cn(C(C)(C)C)nc1-c1ccc(F)cc1F ZINC001450730721 1067112217 /nfs/dbraw/zinc/11/22/17/1067112217.db2.gz SXJCSXKPQOTWQF-UHFFFAOYSA-N 1 1 455.553 4.572 20 0 JJADMO CCC(CC)[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2CCCC[C@H]2C1)[NH+](C)C ZINC001545804778 1067116075 /nfs/dbraw/zinc/11/60/75/1067116075.db2.gz BHKRYHRQWYMZKL-PBXXJUDPSA-N 1 1 486.680 4.598 20 0 JJADMO CCC(O)(CC)Cn1c(-c2ccc(C)o2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001546026296 1067124038 /nfs/dbraw/zinc/12/40/38/1067124038.db2.gz KKDVLLFVZLINQI-NZQKXSOJSA-N 1 1 465.642 4.887 20 0 JJADMO C[N@@H+]1CC[C@@H](NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)[C@@H]1c1ccc(F)cc1 ZINC001545811287 1067139458 /nfs/dbraw/zinc/13/94/58/1067139458.db2.gz RCHIUCLZEFEOEU-APWZRJJASA-N 1 1 450.739 4.898 20 0 JJADMO C[N@H+]1CC[C@@H](NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)[C@@H]1c1ccc(F)cc1 ZINC001545811287 1067139465 /nfs/dbraw/zinc/13/94/65/1067139465.db2.gz RCHIUCLZEFEOEU-APWZRJJASA-N 1 1 450.739 4.898 20 0 JJADMO Cc1ccc(C(=O)NCC[N@H+]2CCCC2(C)C)cc1NC(=O)c1ccc(Br)cc1 ZINC001451306654 1067158461 /nfs/dbraw/zinc/15/84/61/1067158461.db2.gz AWRJYFQMOBSELD-UHFFFAOYSA-N 1 1 458.400 4.614 20 0 JJADMO C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001458833558 1067162381 /nfs/dbraw/zinc/16/23/81/1067162381.db2.gz CDZPJLWENDIHNA-QMLYXQNNSA-N 1 1 458.046 4.504 20 0 JJADMO CCC(CC)c1cc(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)on1 ZINC001545823518 1067167570 /nfs/dbraw/zinc/16/75/70/1067167570.db2.gz OWFYDXUOODGOBP-RTBURBONSA-N 1 1 496.656 4.821 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2C)n1CC[N@@H+]1CCc2sccc2C1 ZINC001545826404 1067173897 /nfs/dbraw/zinc/17/38/97/1067173897.db2.gz MEKRWNHVCACPDW-FQEVSTJZSA-N 1 1 494.709 4.822 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2C)n1CC[N@H+]1CCc2sccc2C1 ZINC001545826404 1067173900 /nfs/dbraw/zinc/17/39/00/1067173900.db2.gz MEKRWNHVCACPDW-FQEVSTJZSA-N 1 1 494.709 4.822 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCC[C@H](C)C2)n1Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001545829728 1067179689 /nfs/dbraw/zinc/17/96/89/1067179689.db2.gz FFKXTROVZCPCHT-AVRDEDQJSA-N 1 1 495.647 4.893 20 0 JJADMO CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001451585673 1067179755 /nfs/dbraw/zinc/17/97/55/1067179755.db2.gz JFDVQGASNSIHGF-UHRQBARKSA-N 1 1 469.670 4.734 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001545829730 1067179811 /nfs/dbraw/zinc/17/98/11/1067179811.db2.gz FFKXTROVZCPCHT-PGRDOPGGSA-N 1 1 495.647 4.893 20 0 JJADMO C/C(=C/C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1)c1ccccc1C(F)(F)F ZINC001458871758 1067180981 /nfs/dbraw/zinc/18/09/81/1067180981.db2.gz CZNOOQQNHWYZPU-GABPYWAHSA-N 1 1 451.577 4.904 20 0 JJADMO C[C@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1)c1cccc(C(F)(F)F)c1 ZINC001458875662 1067182390 /nfs/dbraw/zinc/18/23/90/1067182390.db2.gz LFKGUBOUDLJVDR-LEOXJPRUSA-N 1 1 453.593 4.995 20 0 JJADMO CC(C)(C)OC(=O)CC[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)C1 ZINC001451650183 1067183069 /nfs/dbraw/zinc/18/30/69/1067183069.db2.gz WIHFAVLDJUAZOL-DMTNHVFBSA-N 1 1 477.649 4.658 20 0 JJADMO CN(C(=O)CCCc1cccc(C(F)(F)F)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001458877077 1067183139 /nfs/dbraw/zinc/18/31/39/1067183139.db2.gz NXLMSYZYKKMYQK-DHIUTWEWSA-N 1 1 453.593 4.824 20 0 JJADMO CCCOc1ccc(C(=O)CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)cc1 ZINC001545834776 1067184668 /nfs/dbraw/zinc/18/46/68/1067184668.db2.gz ZQMOFFKURSMHKU-WUFINQPMSA-N 1 1 470.613 4.999 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C(F)(F)F)cc2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001545835142 1067186545 /nfs/dbraw/zinc/18/65/45/1067186545.db2.gz MUMXZISFIIHZPY-GOSISDBHSA-N 1 1 494.606 4.584 20 0 JJADMO CC[C@H](C)n1nc(C)c(-c2cc(C(=O)Nc3nc4c(s3)C[N@H+](C(C)(C)C)CC4)n[nH]2)c1C ZINC001451893554 1067196658 /nfs/dbraw/zinc/19/66/58/1067196658.db2.gz YAXSWJSRMNSVML-ZDUSSCGKSA-N 1 1 455.632 4.726 20 0 JJADMO O=C(Nc1ccc(Cl)c(I)c1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001451907923 1067197303 /nfs/dbraw/zinc/19/73/03/1067197303.db2.gz CHSHNERLYJERBM-SFHVURJKSA-N 1 1 454.739 4.938 20 0 JJADMO O=C(Nc1ccc(Cl)c(I)c1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001451907923 1067197307 /nfs/dbraw/zinc/19/73/07/1067197307.db2.gz CHSHNERLYJERBM-SFHVURJKSA-N 1 1 454.739 4.938 20 0 JJADMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccn1-c1c(Cl)cccc1Cl ZINC001458970499 1067213063 /nfs/dbraw/zinc/21/30/63/1067213063.db2.gz BUWBOHNFDMZEAX-IBGZPJMESA-N 1 1 458.389 4.805 20 0 JJADMO CCc1onc(-c2ccccc2Cl)c1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001458973142 1067213833 /nfs/dbraw/zinc/21/38/33/1067213833.db2.gz KNTDTAOREZKRLE-IBGZPJMESA-N 1 1 453.970 4.578 20 0 JJADMO CCC(O)(CC)Cn1c(CC2CCCC2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001546038250 1067221862 /nfs/dbraw/zinc/22/18/62/1067221862.db2.gz HAHZMDMCIZDBFH-QFIPXVFZSA-N 1 1 453.675 4.663 20 0 JJADMO O=c1c2c(ncn1CCCCOc1ccccc1C(F)(F)F)C[N@@H+](Cc1ccccc1)CC2 ZINC001459027666 1067232151 /nfs/dbraw/zinc/23/21/51/1067232151.db2.gz QIAJOOPHOQVWQK-UHFFFAOYSA-N 1 1 457.496 4.680 20 0 JJADMO O=c1c2c(ncn1CCCCOc1ccccc1C(F)(F)F)C[N@H+](Cc1ccccc1)CC2 ZINC001459027666 1067232158 /nfs/dbraw/zinc/23/21/58/1067232158.db2.gz QIAJOOPHOQVWQK-UHFFFAOYSA-N 1 1 457.496 4.680 20 0 JJADMO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N[C@@H](CO)c2csc(C(C)C)n2)c1 ZINC001452568888 1067235235 /nfs/dbraw/zinc/23/52/35/1067235235.db2.gz SWUFWAILWOLUBT-VXNXHJTFSA-N 1 1 463.647 4.640 20 0 JJADMO C[N@H+]1CCN(C(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)C[C@@H]1C(C)(C)C ZINC001452605185 1067236186 /nfs/dbraw/zinc/23/61/86/1067236186.db2.gz WDARWQMMNVEKRV-HSZRJFAPSA-N 1 1 459.700 4.810 20 0 JJADMO CC(C)[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001459076166 1067246292 /nfs/dbraw/zinc/24/62/92/1067246292.db2.gz PBWXTXVPFMVBPK-KDOFPFPSSA-N 1 1 456.425 4.635 20 0 JJADMO CC1(C)[C@H](NC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)C[C@@H]1[NH+]1CCOCC1 ZINC001452725571 1067246625 /nfs/dbraw/zinc/24/66/25/1067246625.db2.gz IYBARYAJHISTCP-MOPGFXCFSA-N 1 1 454.514 4.543 20 0 JJADMO Cc1ccc(C(=O)CCC(=O)CCC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@H]2C)s1 ZINC001452768148 1067250136 /nfs/dbraw/zinc/25/01/36/1067250136.db2.gz HQSGSVSZYOAVRK-CEWLAPEOSA-N 1 1 454.636 4.879 20 0 JJADMO Cc1ccc(C(=O)CCC(=O)CCC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@H](C)[C@H]2C)s1 ZINC001452768148 1067250143 /nfs/dbraw/zinc/25/01/43/1067250143.db2.gz HQSGSVSZYOAVRK-CEWLAPEOSA-N 1 1 454.636 4.879 20 0 JJADMO CCC1(CC)CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001546106352 1067252085 /nfs/dbraw/zinc/25/20/85/1067252085.db2.gz UCCUJHGGCMPTFA-KRWDZBQOSA-N 1 1 466.457 4.989 20 0 JJADMO CCC1(CC)CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001546106352 1067252090 /nfs/dbraw/zinc/25/20/90/1067252090.db2.gz UCCUJHGGCMPTFA-KRWDZBQOSA-N 1 1 466.457 4.989 20 0 JJADMO O=C(OCc1ccccc1)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001459116217 1067254013 /nfs/dbraw/zinc/25/40/13/1067254013.db2.gz UREMIZJFNYIAMI-SXOMAYOGSA-N 1 1 456.586 4.542 20 0 JJADMO C[C@@H](SC1CCC(c2ccccc2)CC1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC001459259183 1067278791 /nfs/dbraw/zinc/27/87/91/1067278791.db2.gz MWWCZGNNUTVIQB-ZUOMXFFYSA-N 1 1 452.664 4.983 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3nnc(Cc4ccc(Cl)cc4)s3)cc2)C[C@H](C)O1 ZINC001459283102 1067282506 /nfs/dbraw/zinc/28/25/06/1067282506.db2.gz WNOXAAIVVSDJFX-IYBDPMFKSA-N 1 1 456.999 4.644 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3nnc(Cc4ccc(Cl)cc4)s3)cc2)C[C@H](C)O1 ZINC001459283102 1067282516 /nfs/dbraw/zinc/28/25/16/1067282516.db2.gz WNOXAAIVVSDJFX-IYBDPMFKSA-N 1 1 456.999 4.644 20 0 JJADMO CC(C)(C)OC(=O)NCCCCCCC[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001459346914 1067299594 /nfs/dbraw/zinc/29/95/94/1067299594.db2.gz BGZFCNZGPXLVHQ-UHFFFAOYSA-N 1 1 452.039 4.963 20 0 JJADMO COc1cccc(C[N@@H+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C[C@H]2CCCO2)c1 ZINC001459355756 1067301918 /nfs/dbraw/zinc/30/19/18/1067301918.db2.gz RBMQVGBRCXMHTC-OXJNMPFZSA-N 1 1 451.394 4.860 20 0 JJADMO COc1cccc(C[N@H+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C[C@H]2CCCO2)c1 ZINC001459355756 1067301931 /nfs/dbraw/zinc/30/19/31/1067301931.db2.gz RBMQVGBRCXMHTC-OXJNMPFZSA-N 1 1 451.394 4.860 20 0 JJADMO COc1ccc(C[N@@H+](CC(=O)Nc2c(F)cc(F)cc2Br)[C@@H](C)C2CC2)cc1 ZINC001459355671 1067302005 /nfs/dbraw/zinc/30/20/05/1067302005.db2.gz YDDCKXZZKWXRBD-ZDUSSCGKSA-N 1 1 453.327 4.975 20 0 JJADMO COc1cccc(C[N@@H+](CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C[C@H]2CCCO2)c1 ZINC001459355757 1067302165 /nfs/dbraw/zinc/30/21/65/1067302165.db2.gz RBMQVGBRCXMHTC-OXQOHEQNSA-N 1 1 451.394 4.860 20 0 JJADMO COc1cccc(C[N@H+](CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C[C@H]2CCCO2)c1 ZINC001459355757 1067302174 /nfs/dbraw/zinc/30/21/74/1067302174.db2.gz RBMQVGBRCXMHTC-OXQOHEQNSA-N 1 1 451.394 4.860 20 0 JJADMO COc1cccc(C[N@@H+](CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C[C@@H]2CCCO2)c1 ZINC001459355759 1067302233 /nfs/dbraw/zinc/30/22/33/1067302233.db2.gz RBMQVGBRCXMHTC-UZLBHIALSA-N 1 1 451.394 4.860 20 0 JJADMO COc1cccc(C[N@H+](CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C[C@@H]2CCCO2)c1 ZINC001459355759 1067302238 /nfs/dbraw/zinc/30/22/38/1067302238.db2.gz RBMQVGBRCXMHTC-UZLBHIALSA-N 1 1 451.394 4.860 20 0 JJADMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2nc(-c3ccc(CCC)cc3)cs2)C1 ZINC001459361018 1067302741 /nfs/dbraw/zinc/30/27/41/1067302741.db2.gz BWWIZKNWQMNEBH-RXVVDRJESA-N 1 1 456.656 4.718 20 0 JJADMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2nc(-c3ccc(CCC)cc3)cs2)C1 ZINC001459361018 1067302750 /nfs/dbraw/zinc/30/27/50/1067302750.db2.gz BWWIZKNWQMNEBH-RXVVDRJESA-N 1 1 456.656 4.718 20 0 JJADMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2nc(-c3ccc(CCC)cc3)cs2)C1 ZINC001459361016 1067302948 /nfs/dbraw/zinc/30/29/48/1067302948.db2.gz BWWIZKNWQMNEBH-NQIIRXRSSA-N 1 1 456.656 4.718 20 0 JJADMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2nc(-c3ccc(CCC)cc3)cs2)C1 ZINC001459361016 1067302960 /nfs/dbraw/zinc/30/29/60/1067302960.db2.gz BWWIZKNWQMNEBH-NQIIRXRSSA-N 1 1 456.656 4.718 20 0 JJADMO CC[N@H+](C)[C@@H](C(=O)Nc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1)c1ccccc1 ZINC001453395314 1067303353 /nfs/dbraw/zinc/30/33/53/1067303353.db2.gz GVERJWIKJPQOJY-DHIUTWEWSA-N 1 1 453.583 4.627 20 0 JJADMO CC[N@@H+](C)[C@@H](C(=O)Nc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1)c1ccccc1 ZINC001453395314 1067303368 /nfs/dbraw/zinc/30/33/68/1067303368.db2.gz GVERJWIKJPQOJY-DHIUTWEWSA-N 1 1 453.583 4.627 20 0 JJADMO CC[N@@H+](CCC(=O)Nc1cc(OC)c(Cl)cc1OC)Cc1cccc(Br)c1 ZINC001459366403 1067304551 /nfs/dbraw/zinc/30/45/51/1067304551.db2.gz FPHZIQUHAPKZMK-UHFFFAOYSA-N 1 1 455.780 4.970 20 0 JJADMO Cc1sc2ncnc(SCC(=O)N3CC[N@@H+](Cc4ccccc4)[C@H](C(C)C)C3)c2c1C ZINC001453493726 1067309336 /nfs/dbraw/zinc/30/93/36/1067309336.db2.gz GWMQMDXGOCRVCR-FQEVSTJZSA-N 1 1 454.665 4.769 20 0 JJADMO CC(C)[C@@H]1CN(C(=O)c2cc3cccc(C(F)(F)F)c3[nH]c2=O)CC[N@H+]1Cc1ccccc1 ZINC001453496437 1067309450 /nfs/dbraw/zinc/30/94/50/1067309450.db2.gz MFPKZDMSYGGFBE-NRFANRHFSA-N 1 1 457.496 4.942 20 0 JJADMO CC(C)[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001453495271 1067309540 /nfs/dbraw/zinc/30/95/40/1067309540.db2.gz KSIMVKDXFHIUBT-ZEQRLZLVSA-N 1 1 451.611 4.621 20 0 JJADMO CC(C)[C@H]1CN(C(=O)C2(N(C(=O)OC(C)(C)C)C3CC3)CCC2)CC[N@H+]1Cc1ccccc1 ZINC001453502457 1067310030 /nfs/dbraw/zinc/31/00/30/1067310030.db2.gz XERZLYDLTAUXRO-HSZRJFAPSA-N 1 1 455.643 4.678 20 0 JJADMO C[N@@H+](C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC001459401948 1067314290 /nfs/dbraw/zinc/31/42/90/1067314290.db2.gz WFCHGTPUFQRLNA-SGNDLWITSA-N 1 1 458.643 4.892 20 0 JJADMO CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC001459410888 1067315529 /nfs/dbraw/zinc/31/55/29/1067315529.db2.gz GYTFFNVQRYHGIL-KRWDZBQOSA-N 1 1 455.580 4.780 20 0 JJADMO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC001459411848 1067316687 /nfs/dbraw/zinc/31/66/87/1067316687.db2.gz BTMXIVGCGXDCQS-HNNXBMFYSA-N 1 1 459.363 4.870 20 0 JJADMO CN(C[C@H]1CCC[N@H+](CC(=O)NCC2(c3ccccc3)CCCCC2)C1)C(=O)OC(C)(C)C ZINC001459416712 1067319144 /nfs/dbraw/zinc/31/91/44/1067319144.db2.gz UWPXVUKAUXJWDC-JOCHJYFZSA-N 1 1 457.659 4.584 20 0 JJADMO CN(C[C@H]1CCC[N@@H+](CC(=O)NCC2(c3ccccc3)CCCCC2)C1)C(=O)OC(C)(C)C ZINC001459416712 1067319162 /nfs/dbraw/zinc/31/91/62/1067319162.db2.gz UWPXVUKAUXJWDC-JOCHJYFZSA-N 1 1 457.659 4.584 20 0 JJADMO CCOC(=O)c1c(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(OC)c(C)c2)sc2c1CC[C@@H](C)C2 ZINC001459436393 1067324703 /nfs/dbraw/zinc/32/47/03/1067324703.db2.gz HQJCBVHNKCWYNG-WBVHZDCISA-N 1 1 458.624 4.826 20 0 JJADMO CCOC(=O)c1c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(OC)c(C)c2)sc2c1CC[C@@H](C)C2 ZINC001459436393 1067324715 /nfs/dbraw/zinc/32/47/15/1067324715.db2.gz HQJCBVHNKCWYNG-WBVHZDCISA-N 1 1 458.624 4.826 20 0 JJADMO C[N@@H+](CCN1CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1)Cc1ccccc1 ZINC001459452601 1067327096 /nfs/dbraw/zinc/32/70/96/1067327096.db2.gz XJYDTXMPULJNOF-UHFFFAOYSA-N 1 1 459.478 4.974 20 0 JJADMO O=C1[C@H]([NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)CCN1c1ccc(C(F)(F)F)cc1 ZINC001459455482 1067327700 /nfs/dbraw/zinc/32/77/00/1067327700.db2.gz LKPGLJOKVLKPKO-NHCUHLMSSA-N 1 1 452.904 4.910 20 0 JJADMO CCS[C@@H]1CCCC[N@@H+](CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(OC)cc2)C1 ZINC001459461379 1067329984 /nfs/dbraw/zinc/32/99/84/1067329984.db2.gz DDUVHAHMTLFVDB-ILBGXUMGSA-N 1 1 451.636 4.981 20 0 JJADMO CC(C)(CC[NH+]1CCOCC1)NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 ZINC001453826061 1067331339 /nfs/dbraw/zinc/33/13/39/1067331339.db2.gz FBUVQFSDIDQHOP-UHFFFAOYSA-N 1 1 455.649 4.698 20 0 JJADMO Cc1ccc(CNC(=O)c2ccccc2NC(=O)C[N@@H+]2CCC[C@](C)(c3ccccc3)C2)cc1 ZINC001459466822 1067331920 /nfs/dbraw/zinc/33/19/20/1067331920.db2.gz NEWKHFRDVGRZBS-LJAQVGFWSA-N 1 1 455.602 4.917 20 0 JJADMO Cc1ccc(CNC(=O)c2ccccc2NC(=O)C[N@H+]2CCC[C@](C)(c3ccccc3)C2)cc1 ZINC001459466822 1067331933 /nfs/dbraw/zinc/33/19/33/1067331933.db2.gz NEWKHFRDVGRZBS-LJAQVGFWSA-N 1 1 455.602 4.917 20 0 JJADMO O=C(NCC(F)(F)c1ccc(Br)cc1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001453882015 1067333881 /nfs/dbraw/zinc/33/38/81/1067333881.db2.gz FVMXIVDFQXXNKU-MRXNPFEDSA-N 1 1 455.318 4.708 20 0 JJADMO C[N@H+](CCOc1ccc(OCc2ccccc2)cc1)[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC001459493296 1067338084 /nfs/dbraw/zinc/33/80/84/1067338084.db2.gz UYYJZWWKNTVKRX-DEOSSOPVSA-N 1 1 452.501 4.660 20 0 JJADMO C[N@@H+](CCOc1ccc(OCc2ccccc2)cc1)[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC001459493296 1067338093 /nfs/dbraw/zinc/33/80/93/1067338093.db2.gz UYYJZWWKNTVKRX-DEOSSOPVSA-N 1 1 452.501 4.660 20 0 JJADMO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+](C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001459496217 1067339211 /nfs/dbraw/zinc/33/92/11/1067339211.db2.gz ZSJBZPIOGFZYEX-SUMWQHHRSA-N 1 1 455.864 4.842 20 0 JJADMO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+](C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001459496217 1067339226 /nfs/dbraw/zinc/33/92/26/1067339226.db2.gz ZSJBZPIOGFZYEX-SUMWQHHRSA-N 1 1 455.864 4.842 20 0 JJADMO C[C@H](c1nc(-c2cccs2)no1)N1CC[NH+](CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC001459501722 1067339502 /nfs/dbraw/zinc/33/95/02/1067339502.db2.gz JAVUNDDMFHLEMD-OAHLLOKOSA-N 1 1 452.502 4.575 20 0 JJADMO C[C@H](c1nc(-c2cccs2)no1)N1CC[NH+](CCc2ccc(OC(F)(F)F)cc2)CC1 ZINC001459505797 1067340020 /nfs/dbraw/zinc/34/00/20/1067340020.db2.gz XDPLLLUGFXSDRN-OAHLLOKOSA-N 1 1 452.502 4.618 20 0 JJADMO CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)C[N@H+]1C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001459510682 1067341643 /nfs/dbraw/zinc/34/16/43/1067341643.db2.gz DARJFHJTTSHQBM-ZLNRFVROSA-N 1 1 459.631 4.755 20 0 JJADMO CC(C)(C)OC(=O)N1C[C@H]([N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)[C@@H](O)c2ccccc21 ZINC001459546351 1067348392 /nfs/dbraw/zinc/34/83/92/1067348392.db2.gz WANUUDOIPFUZIT-OUOWLKGYSA-N 1 1 454.542 4.578 20 0 JJADMO CC(C)(C)OC(=O)N1C[C@H]([N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)[C@H](O)c2ccccc21 ZINC001459546354 1067348573 /nfs/dbraw/zinc/34/85/73/1067348573.db2.gz WANUUDOIPFUZIT-RVSNTGDXSA-N 1 1 454.542 4.578 20 0 JJADMO CO[C@]1(C)C[C@H]([N@@H+](C)CC(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1(C)C ZINC001459555002 1067350375 /nfs/dbraw/zinc/35/03/75/1067350375.db2.gz BIIQKKQNURAQCK-VQEMNGCCSA-N 1 1 451.611 4.594 20 0 JJADMO C[C@H]1CCC[N@H+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@@H]1CNC(=O)OC(C)(C)C ZINC001459607296 1067361727 /nfs/dbraw/zinc/36/17/27/1067361727.db2.gz HZPPHOQPSZQQQQ-HNAYVOBHSA-N 1 1 458.430 4.577 20 0 JJADMO C[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@@H]1CNC(=O)OC(C)(C)C ZINC001459607296 1067361738 /nfs/dbraw/zinc/36/17/38/1067361738.db2.gz HZPPHOQPSZQQQQ-HNAYVOBHSA-N 1 1 458.430 4.577 20 0 JJADMO O=C(C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1)NCc1ccc(F)cc1C(F)(F)F ZINC001459611802 1067363666 /nfs/dbraw/zinc/36/36/66/1067363666.db2.gz YHYUYFBBTVGMRJ-MJGOQNOKSA-N 1 1 458.521 4.891 20 0 JJADMO C[N@H+](CC(=O)NCCN1CCc2ccccc21)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001459619623 1067365912 /nfs/dbraw/zinc/36/59/12/1067365912.db2.gz FQKCDMGTUKAQSJ-AREMUKBSSA-N 1 1 451.973 4.679 20 0 JJADMO C[N@@H+](CC(=O)NCCN1CCc2ccccc21)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001459619623 1067365919 /nfs/dbraw/zinc/36/59/19/1067365919.db2.gz FQKCDMGTUKAQSJ-AREMUKBSSA-N 1 1 451.973 4.679 20 0 JJADMO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)CC[C@H]1c1ccccc1 ZINC001459624076 1067366707 /nfs/dbraw/zinc/36/67/07/1067366707.db2.gz CKWBHBDGVZOWRB-MBOZVWFJSA-N 1 1 459.512 4.895 20 0 JJADMO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)CC[C@H]1c1ccccc1 ZINC001459624080 1067366987 /nfs/dbraw/zinc/36/69/87/1067366987.db2.gz CKWBHBDGVZOWRB-SQGPQFPESA-N 1 1 459.512 4.895 20 0 JJADMO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@@H+]2CC[C@H](COCc3ccccc3)C2)c1 ZINC001459629852 1067368189 /nfs/dbraw/zinc/36/81/89/1067368189.db2.gz DVGHXFUJAZBSPO-QHCPKHFHSA-N 1 1 457.574 4.725 20 0 JJADMO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@H+]2CC[C@H](COCc3ccccc3)C2)c1 ZINC001459629852 1067368201 /nfs/dbraw/zinc/36/82/01/1067368201.db2.gz DVGHXFUJAZBSPO-QHCPKHFHSA-N 1 1 457.574 4.725 20 0 JJADMO COc1ccc(C(NC(=O)C[N@H+]2CCSC3(CCCCC3)C2)c2ccc(OC)cc2)cc1 ZINC001459640417 1067370432 /nfs/dbraw/zinc/37/04/32/1067370432.db2.gz ZWMZWEJPQGDFPI-UHFFFAOYSA-N 1 1 454.636 4.661 20 0 JJADMO C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[NH+]1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC001459658042 1067373631 /nfs/dbraw/zinc/37/36/31/1067373631.db2.gz WXXWYCLYQNNIST-SFHVURJKSA-N 1 1 459.421 4.605 20 0 JJADMO CCC1(CC)CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546110804 1067373757 /nfs/dbraw/zinc/37/37/57/1067373757.db2.gz OAJHOKSJTURSOO-BGYRXZFFSA-N 1 1 459.704 4.835 20 0 JJADMO COc1ccc(C[C@@H]2CC[N@H+]2[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)cc1 ZINC001459660627 1067374314 /nfs/dbraw/zinc/37/43/14/1067374314.db2.gz ZJUPVYDXSFJFLZ-UNMCSNQZSA-N 1 1 457.412 4.887 20 0 JJADMO CC[C@](C)([NH2+]CC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1nccs1 ZINC001459668887 1067378026 /nfs/dbraw/zinc/37/80/26/1067378026.db2.gz DXCACNDTBOZYPR-SANMLTNESA-N 1 1 459.619 4.586 20 0 JJADMO O=C(C[NH2+][C@@H](Cn1cccn1)c1ccccc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001459672152 1067379181 /nfs/dbraw/zinc/37/91/81/1067379181.db2.gz XMIOURRJJHAQHT-SFHVURJKSA-N 1 1 456.390 4.890 20 0 JJADMO CCC[N@@H+](Cc1coc(-c2ccc(C(=O)OC)cc2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001459672668 1067379463 /nfs/dbraw/zinc/37/94/63/1067379463.db2.gz BMSQAPTYRUYQJK-UHFFFAOYSA-N 1 1 457.571 4.740 20 0 JJADMO CC[N@@H+](C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001459673759 1067379685 /nfs/dbraw/zinc/37/96/85/1067379685.db2.gz VFRCHFQESJRSFL-TZIWHRDSSA-N 1 1 459.679 4.702 20 0 JJADMO COc1cccc([C@H](O)C[N@H+](Cc2ccccc2)C[C@H](O)c2ccccc2Br)c1 ZINC001459673894 1067379920 /nfs/dbraw/zinc/37/99/20/1067379920.db2.gz VQMKLQAJVBPTON-RPWUZVMVSA-N 1 1 456.380 4.727 20 0 JJADMO NC(=O)C[N@@H+](Cc1ccc(OCc2ccccc2)cc1)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC001459675140 1067380236 /nfs/dbraw/zinc/38/02/36/1067380236.db2.gz CFZKDFWPMVSKRZ-HSZRJFAPSA-N 1 1 459.373 4.593 20 0 JJADMO NC(=O)C[N@H+](Cc1ccc(OCc2ccccc2)cc1)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC001459675140 1067380250 /nfs/dbraw/zinc/38/02/50/1067380250.db2.gz CFZKDFWPMVSKRZ-HSZRJFAPSA-N 1 1 459.373 4.593 20 0 JJADMO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001459685102 1067382950 /nfs/dbraw/zinc/38/29/50/1067382950.db2.gz KSCGQEXEAFYWRX-CGXNFDGLSA-N 1 1 451.652 4.743 20 0 JJADMO Cc1cc(=O)oc2cc(OCC[N@H+]3CCCC[C@H]3[C@H]3CCCN3C(=O)OC(C)(C)C)ccc12 ZINC001459686300 1067383576 /nfs/dbraw/zinc/38/35/76/1067383576.db2.gz NJXPOHIPFDFFQH-FCHUYYIVSA-N 1 1 456.583 4.734 20 0 JJADMO COc1cc(N[C@H]2CCC[N@H+](CC(=O)Nc3ccccc3Cc3ccccc3)C2)cc(OC)c1 ZINC001459690911 1067385194 /nfs/dbraw/zinc/38/51/94/1067385194.db2.gz BMPFMVGZYXKVOT-QHCPKHFHSA-N 1 1 459.590 4.810 20 0 JJADMO COc1cc(N[C@H]2CCC[N@@H+](CC(=O)Nc3ccccc3Cc3ccccc3)C2)cc(OC)c1 ZINC001459690911 1067385203 /nfs/dbraw/zinc/38/52/03/1067385203.db2.gz BMPFMVGZYXKVOT-QHCPKHFHSA-N 1 1 459.590 4.810 20 0 JJADMO O=C(CC[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1)Nc1ccccc1C(=O)NC1CC1 ZINC001459692384 1067385481 /nfs/dbraw/zinc/38/54/81/1067385481.db2.gz CEBFWCWJRVULDE-UHFFFAOYSA-N 1 1 457.496 4.716 20 0 JJADMO CN(C)S(=O)(=O)c1cccc(C[N@H+](Cc2ccccc2Br)C2CCCC2)c1 ZINC001459693738 1067386056 /nfs/dbraw/zinc/38/60/56/1067386056.db2.gz KKBNXLICVHDHDG-UHFFFAOYSA-N 1 1 451.430 4.644 20 0 JJADMO CN(C)S(=O)(=O)c1cccc(C[N@@H+](Cc2ccccc2Br)C2CCCC2)c1 ZINC001459693738 1067386069 /nfs/dbraw/zinc/38/60/69/1067386069.db2.gz KKBNXLICVHDHDG-UHFFFAOYSA-N 1 1 451.430 4.644 20 0 JJADMO CC(C)(C)OC(=O)N1CC[N@@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C2(CCCCC2)C1 ZINC001459699144 1067387796 /nfs/dbraw/zinc/38/77/96/1067387796.db2.gz PNTQSGHDAZXUIQ-HXUWFJFHSA-N 1 1 456.549 4.864 20 0 JJADMO CC(C)(C)OC(=O)N1CCCC[C@@H](C[N@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)C1 ZINC001459714269 1067393049 /nfs/dbraw/zinc/39/30/49/1067393049.db2.gz ADDMAIKLBZJECC-PZJWPPBQSA-N 1 1 455.599 4.664 20 0 JJADMO CCCCOc1ccc(-c2nnc(C[NH+]3CCC(C(=O)Nc4cccc(F)c4)CC3)o2)cc1 ZINC001459714779 1067393218 /nfs/dbraw/zinc/39/32/18/1067393218.db2.gz PVMSTVNTDLCGIA-UHFFFAOYSA-N 1 1 452.530 4.905 20 0 JJADMO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC001459716181 1067393618 /nfs/dbraw/zinc/39/36/18/1067393618.db2.gz UNRZQXLMZBHWBJ-CRAIPNDOSA-N 1 1 458.484 4.553 20 0 JJADMO COCC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC001459720134 1067395564 /nfs/dbraw/zinc/39/55/64/1067395564.db2.gz BWVYHCSDAXLVNG-INIZCTEOSA-N 1 1 453.808 4.998 20 0 JJADMO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)OCc1ccc(Cl)cc1-n1cncn1 ZINC001459725065 1067396927 /nfs/dbraw/zinc/39/69/27/1067396927.db2.gz GCHXAQORWDACCI-GOSISDBHSA-N 1 1 454.958 4.531 20 0 JJADMO CC[N@H+](CC(=O)NCc1ccc(N2CCCC2=O)cc1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC001459735816 1067399663 /nfs/dbraw/zinc/39/96/63/1067399663.db2.gz TZMRGQAVYAIEEW-NDEPHWFRSA-N 1 1 459.565 4.680 20 0 JJADMO CC[N@@H+](CC(=O)NCc1ccc(N2CCCC2=O)cc1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC001459735816 1067399674 /nfs/dbraw/zinc/39/96/74/1067399674.db2.gz TZMRGQAVYAIEEW-NDEPHWFRSA-N 1 1 459.565 4.680 20 0 JJADMO O=C(c1ccc(Br)c(C(F)(F)F)c1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001459742786 1067402332 /nfs/dbraw/zinc/40/23/32/1067402332.db2.gz RZWXJVWBEKSWSX-CALCHBBNSA-N 1 1 453.302 4.672 20 0 JJADMO C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC001459749870 1067405514 /nfs/dbraw/zinc/40/55/14/1067405514.db2.gz XKILKQHNKTWPEG-LJQANCHMSA-N 1 1 459.546 4.862 20 0 JJADMO COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1c(C)nn(Cc3ccccc3)c1Cl)CC2 ZINC001459748723 1067405535 /nfs/dbraw/zinc/40/55/35/1067405535.db2.gz SLVJNZVMUAOOFX-UHFFFAOYSA-N 1 1 455.986 4.520 20 0 JJADMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2cc(OC)ncc2Br)[C@@H]2CCCC[C@@H]12 ZINC001459758295 1067409871 /nfs/dbraw/zinc/40/98/71/1067409871.db2.gz YBXVDAKBOUOTCS-NQHUSQPMSA-N 1 1 452.437 4.537 20 0 JJADMO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2[C@@H](c2ccc(F)cc2)c2ccc(Br)cc2)cn1 ZINC001459766906 1067413940 /nfs/dbraw/zinc/41/39/40/1067413940.db2.gz BTWFEDQRGLOOSS-YTFSRNRJSA-N 1 1 458.375 4.999 20 0 JJADMO COc1cc(-c2noc(C[N@@H+](CCc3cccc(F)c3)C3CCCC3)n2)cc(OC)c1OC ZINC001459769428 1067414927 /nfs/dbraw/zinc/41/49/27/1067414927.db2.gz HBYVYYKNIFZGJV-UHFFFAOYSA-N 1 1 455.530 4.889 20 0 JJADMO CCOc1ccc(C2=CC[N@H+](CC(=O)N3CCC[C@H]3c3ccc(OC)c(OC)c3)CC2)cc1 ZINC001459779426 1067417629 /nfs/dbraw/zinc/41/76/29/1067417629.db2.gz MTRSKQDXWQQPNL-DEOSSOPVSA-N 1 1 450.579 4.555 20 0 JJADMO CCOc1ccc(C2=CC[N@@H+](CC(=O)N3CCC[C@H]3c3ccc(OC)c(OC)c3)CC2)cc1 ZINC001459779426 1067417641 /nfs/dbraw/zinc/41/76/41/1067417641.db2.gz MTRSKQDXWQQPNL-DEOSSOPVSA-N 1 1 450.579 4.555 20 0 JJADMO COCC[N@@H+](C)CCCC1CCN(Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CC1 ZINC001459783493 1067419912 /nfs/dbraw/zinc/41/99/12/1067419912.db2.gz BUJNHFDROPULCE-UHFFFAOYSA-N 1 1 454.640 4.634 20 0 JJADMO CC(C)NC(=O)c1ccccc1NC(=O)C[N@H+]1CCc2ccccc2[C@@H](c2ccccc2)[C@@H]1C ZINC001459784855 1067420950 /nfs/dbraw/zinc/42/09/50/1067420950.db2.gz GNZKBFIBXFRYAO-RBTNQOKQSA-N 1 1 455.602 4.842 20 0 JJADMO CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](C[N@@H+](Cc1csc(Br)c1)C1CC1)O2 ZINC001459794668 1067426726 /nfs/dbraw/zinc/42/67/26/1067426726.db2.gz CJNUDTVNJGMIMW-INIZCTEOSA-N 1 1 457.434 4.644 20 0 JJADMO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001459807344 1067432353 /nfs/dbraw/zinc/43/23/53/1067432353.db2.gz ZNDZSJBLNJDISZ-WBTNSWJXSA-N 1 1 456.414 4.946 20 0 JJADMO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001459807344 1067432357 /nfs/dbraw/zinc/43/23/57/1067432357.db2.gz ZNDZSJBLNJDISZ-WBTNSWJXSA-N 1 1 456.414 4.946 20 0 JJADMO C[C@H]1c2cc(Cl)c(Cl)cc2CC[N@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC001459815852 1067435415 /nfs/dbraw/zinc/43/54/15/1067435415.db2.gz AXBJOWIQKPTTKG-INIZCTEOSA-N 1 1 450.385 4.791 20 0 JJADMO C[C@H]1c2cc(Cl)c(Cl)cc2CC[N@@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC001459815852 1067435418 /nfs/dbraw/zinc/43/54/18/1067435418.db2.gz AXBJOWIQKPTTKG-INIZCTEOSA-N 1 1 450.385 4.791 20 0 JJADMO CC(C)(C)OC(=O)NC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)nc1)c1ccc2ccccc2c1 ZINC001459847572 1067453135 /nfs/dbraw/zinc/45/31/35/1067453135.db2.gz CWSGWTMPJGGSJF-FQEVSTJZSA-N 1 1 454.958 4.682 20 0 JJADMO COc1ccc(OC)c(-c2csc(NC(=O)C[NH2+][C@H](C)c3ccccc3OC(C)C)n2)c1 ZINC001459849731 1067454631 /nfs/dbraw/zinc/45/46/31/1067454631.db2.gz XUIVKEUCPWYKMY-MRXNPFEDSA-N 1 1 455.580 4.904 20 0 JJADMO C[S@](=O)C[C@H]([NH2+]CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)c1ccccc1 ZINC001459855797 1067459250 /nfs/dbraw/zinc/45/92/50/1067459250.db2.gz ZPRGAQBSJRVAOX-NRRJATNASA-N 1 1 454.206 4.948 20 0 JJADMO C[S@@](=O)C[C@H]([NH2+]CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)c1ccccc1 ZINC001459855801 1067459296 /nfs/dbraw/zinc/45/92/96/1067459296.db2.gz ZPRGAQBSJRVAOX-WHDAMIPWSA-N 1 1 454.206 4.948 20 0 JJADMO COC(=O)c1cccc(C[NH+]2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)c1Cl ZINC001459864561 1067463085 /nfs/dbraw/zinc/46/30/85/1067463085.db2.gz HOQCOEZLBISDSE-UHFFFAOYSA-N 1 1 457.876 4.595 20 0 JJADMO COc1ccc(C[N@@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H](CO)C(C)C)cc1 ZINC001459866722 1067464044 /nfs/dbraw/zinc/46/40/44/1067464044.db2.gz UNUKQSRCADZKAX-HXUWFJFHSA-N 1 1 458.908 4.825 20 0 JJADMO COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)[N@@H+](C)CCc1ccc(Cl)cc1 ZINC001459875277 1067469359 /nfs/dbraw/zinc/46/93/59/1067469359.db2.gz RZBIJPCVPOUGCH-HNNXBMFYSA-N 1 1 458.908 4.886 20 0 JJADMO C[C@@H]1CN(Cc2cccc(C[NH+]3CCOCC3)c2)c2ccccc2CN1C(=O)OC(C)(C)C ZINC001459883615 1067472330 /nfs/dbraw/zinc/47/23/30/1067472330.db2.gz PPMOQICTEOXLKG-OAQYLSRUSA-N 1 1 451.611 4.665 20 0 JJADMO CC(C)c1ccc([C@@H]2CCCC[N@H+]2CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC001459887379 1067473657 /nfs/dbraw/zinc/47/36/57/1067473657.db2.gz ATSCQASYTPYEEZ-SANMLTNESA-N 1 1 453.671 4.978 20 0 JJADMO CCN(Cc1nc(Cc2cccc(Br)c2)no1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001459898437 1067478683 /nfs/dbraw/zinc/47/86/83/1067478683.db2.gz DIAVNFPXMUOBJF-OAQYLSRUSA-N 1 1 455.400 4.519 20 0 JJADMO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]Cc1nnnn1-c1ccccc1Br ZINC001459905645 1067482632 /nfs/dbraw/zinc/48/26/32/1067482632.db2.gz KPRGGHPDEJKHED-CYBMUJFWSA-N 1 1 455.385 4.708 20 0 JJADMO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](CC(F)(F)F)c2ccc(C)cc2)c(OC)c1 ZINC001459905666 1067483018 /nfs/dbraw/zinc/48/30/18/1067483018.db2.gz UKCOZUUIAVSPAE-SFTDATJTSA-N 1 1 450.501 4.959 20 0 JJADMO COc1ccccc1O[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC(C)C)C1 ZINC001459912039 1067486841 /nfs/dbraw/zinc/48/68/41/1067486841.db2.gz QXMLLBSJYASHSF-UBFVSLLYSA-N 1 1 450.623 4.859 20 0 JJADMO CC[C@@H]1CN(CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC001459916557 1067489459 /nfs/dbraw/zinc/48/94/59/1067489459.db2.gz MWSFDZGMZMPVNP-XRKRLSELSA-N 1 1 459.609 4.970 20 0 JJADMO CC(C)[C@H](NCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(Cl)cc1F ZINC001459919651 1067491348 /nfs/dbraw/zinc/49/13/48/1067491348.db2.gz BOJMTLQLCCPGSW-QHCPKHFHSA-N 1 1 450.023 4.953 20 0 JJADMO O=C(C[N@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1)NCc1ccc(N2CCCC2=O)cc1 ZINC001459922085 1067492750 /nfs/dbraw/zinc/49/27/50/1067492750.db2.gz OHHKKKMSSHQTND-UHFFFAOYSA-N 1 1 458.389 4.526 20 0 JJADMO O=C(C[N@@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1)NCc1ccc(N2CCCC2=O)cc1 ZINC001459922085 1067492753 /nfs/dbraw/zinc/49/27/53/1067492753.db2.gz OHHKKKMSSHQTND-UHFFFAOYSA-N 1 1 458.389 4.526 20 0 JJADMO COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)[NH2+][C@H](c1ncc(C)s1)C1CC1 ZINC001459931953 1067497008 /nfs/dbraw/zinc/49/70/08/1067497008.db2.gz IYHKKSPHCPHEJZ-ACJLOTCBSA-N 1 1 457.518 4.563 20 0 JJADMO CC(C)OC(=O)C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccccc1 ZINC001459939547 1067500198 /nfs/dbraw/zinc/50/01/98/1067500198.db2.gz XQSBPKBYPPZFMB-DEOSSOPVSA-N 1 1 459.546 4.550 20 0 JJADMO CCC[N@@H+](C)[C@H](CNC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)c1ccc(Cl)cc1 ZINC001459942161 1067500688 /nfs/dbraw/zinc/50/06/88/1067500688.db2.gz LAHXHADTMLMTIL-LJQANCHMSA-N 1 1 456.940 4.633 20 0 JJADMO CCC[N@H+](C)[C@@H](CNC(=O)[C@@H](C(C)C)S(=O)(=O)C1CCCCC1)c1ccc(Cl)cc1 ZINC001459942971 1067501047 /nfs/dbraw/zinc/50/10/47/1067501047.db2.gz BCWGFSLWFBDXLW-FCHUYYIVSA-N 1 1 457.080 4.611 20 0 JJADMO CCC[N@@H+](C)[C@@H](CNC(=O)[C@@H](C(C)C)S(=O)(=O)C1CCCCC1)c1ccc(Cl)cc1 ZINC001459942971 1067501054 /nfs/dbraw/zinc/50/10/54/1067501054.db2.gz BCWGFSLWFBDXLW-FCHUYYIVSA-N 1 1 457.080 4.611 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC001459944015 1067501579 /nfs/dbraw/zinc/50/15/79/1067501579.db2.gz PCJLQNPFCYGMMI-SANMLTNESA-N 1 1 457.615 4.511 20 0 JJADMO CCn1cc([C@H](O)C[N@@H+](Cc2ccccc2)Cc2ccc(C(=O)Nc3ccccc3)cc2)cn1 ZINC001459945703 1067502367 /nfs/dbraw/zinc/50/23/67/1067502367.db2.gz SSQRRCRVSSIWHD-HHHXNRCGSA-N 1 1 454.574 4.891 20 0 JJADMO COC(=O)c1scc(C)c1NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC001459948606 1067503628 /nfs/dbraw/zinc/50/36/28/1067503628.db2.gz BSYVGLYJLHCGNW-OLZOCXBDSA-N 1 1 459.395 4.876 20 0 JJADMO COC(=O)c1scc(C)c1NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC001459948606 1067503634 /nfs/dbraw/zinc/50/36/34/1067503634.db2.gz BSYVGLYJLHCGNW-OLZOCXBDSA-N 1 1 459.395 4.876 20 0 JJADMO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC001459951345 1067504284 /nfs/dbraw/zinc/50/42/84/1067504284.db2.gz BDMPVCWLASYIGD-IEBWSBKVSA-N 1 1 467.448 4.933 20 0 JJADMO Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](Cn3cnc4ccccc43)C2)ccc1Br ZINC001459958658 1067507068 /nfs/dbraw/zinc/50/70/68/1067507068.db2.gz GWPSVIPISRTHDG-MSOLQXFVSA-N 1 1 455.400 4.846 20 0 JJADMO C[N@@H+](Cc1cccc(Br)c1OC[C@@H]1CCCO1)Cc1c[nH]c(=O)c2ccccc12 ZINC001459959322 1067507723 /nfs/dbraw/zinc/50/77/23/1067507723.db2.gz PIHJGWNMKIINDT-SFHVURJKSA-N 1 1 457.368 4.893 20 0 JJADMO C[N@H+](Cc1cccc(Br)c1OC[C@@H]1CCCO1)Cc1c[nH]c(=O)c2ccccc12 ZINC001459959322 1067507733 /nfs/dbraw/zinc/50/77/33/1067507733.db2.gz PIHJGWNMKIINDT-SFHVURJKSA-N 1 1 457.368 4.893 20 0 JJADMO O=C(C[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1)Nc1ccnn1C1CCCC1 ZINC001459971073 1067510630 /nfs/dbraw/zinc/51/06/30/1067510630.db2.gz GSJIMCBGCMISRS-UHFFFAOYSA-N 1 1 450.505 4.747 20 0 JJADMO C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC001459981125 1067514608 /nfs/dbraw/zinc/51/46/08/1067514608.db2.gz UZKMMAPFLHYWGC-NVXWUHKLSA-N 1 1 456.414 4.598 20 0 JJADMO C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC001459981125 1067514620 /nfs/dbraw/zinc/51/46/20/1067514620.db2.gz UZKMMAPFLHYWGC-NVXWUHKLSA-N 1 1 456.414 4.598 20 0 JJADMO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)cc1 ZINC001459991894 1067518347 /nfs/dbraw/zinc/51/83/47/1067518347.db2.gz HZYCJUDSPAEZSV-NTKDMRAZSA-N 1 1 458.562 4.754 20 0 JJADMO CC[C@]1(CO)CCC[N@@H+](Cc2csc(=Nc3ccc(OC)cc3)n2Cc2ccccc2)C1 ZINC001460000875 1067522004 /nfs/dbraw/zinc/52/20/04/1067522004.db2.gz TUZBMYVLXSHVMJ-SANMLTNESA-N 1 1 451.636 4.823 20 0 JJADMO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC001460008999 1067525628 /nfs/dbraw/zinc/52/56/28/1067525628.db2.gz PCBDVTJTXWEAMO-DHLKQENFSA-N 1 1 457.640 4.581 20 0 JJADMO C[N@H+](CCC(F)(F)F)[C@@H](CNC(=O)c1cccc2ccc(=O)[nH]c21)c1ccc(Cl)cc1 ZINC001460013268 1067527312 /nfs/dbraw/zinc/52/73/12/1067527312.db2.gz HBXQMRYAMPJGJJ-SFHVURJKSA-N 1 1 451.876 4.949 20 0 JJADMO C[N@@H+](CCC(F)(F)F)[C@@H](CNC(=O)c1cccc2ccc(=O)[nH]c21)c1ccc(Cl)cc1 ZINC001460013268 1067527317 /nfs/dbraw/zinc/52/73/17/1067527317.db2.gz HBXQMRYAMPJGJJ-SFHVURJKSA-N 1 1 451.876 4.949 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C[C@H]1c1ccccc1 ZINC001460017013 1067529232 /nfs/dbraw/zinc/52/92/32/1067529232.db2.gz NKJACEHBPKQHEL-HBMCJLEFSA-N 1 1 450.501 4.732 20 0 JJADMO CSc1ccccc1NC(=O)CC[N@H+](CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC001460021656 1067530914 /nfs/dbraw/zinc/53/09/14/1067530914.db2.gz BVPSUGXSLFNZRN-UHFFFAOYSA-N 1 1 454.423 4.682 20 0 JJADMO CSc1ccccc1NC(=O)CC[N@@H+](CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC001460021656 1067530921 /nfs/dbraw/zinc/53/09/21/1067530921.db2.gz BVPSUGXSLFNZRN-UHFFFAOYSA-N 1 1 454.423 4.682 20 0 JJADMO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)c1nc(C(F)(F)F)cs1 ZINC001460021939 1067531521 /nfs/dbraw/zinc/53/15/21/1067531521.db2.gz XMUHHUCJRVPRQX-PSASIEDQSA-N 1 1 459.715 4.668 20 0 JJADMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2CC(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC001460042117 1067536988 /nfs/dbraw/zinc/53/69/88/1067536988.db2.gz RDYPNKHCKMNTLC-JFTIXFDTSA-N 1 1 453.652 4.964 20 0 JJADMO COC(=O)c1ccc(OC)c(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4OC)cs3)C2)c1 ZINC001460055075 1067540342 /nfs/dbraw/zinc/54/03/42/1067540342.db2.gz YALQERKNWIYVRY-GOSISDBHSA-N 1 1 452.576 4.994 20 0 JJADMO COc1ccc(-c2csc(NC(=O)C[N@@H+]3CC[C@@H](c4ccc(C)cc4C)C3)n2)c(OC)c1 ZINC001460056983 1067540946 /nfs/dbraw/zinc/54/09/46/1067540946.db2.gz SYOJTYJBRZXDJJ-GOSISDBHSA-N 1 1 451.592 4.872 20 0 JJADMO COc1ccc(-c2csc(NC(=O)C[N@H+]3CC[C@@H](c4ccc(C)cc4C)C3)n2)c(OC)c1 ZINC001460056983 1067540954 /nfs/dbraw/zinc/54/09/54/1067540954.db2.gz SYOJTYJBRZXDJJ-GOSISDBHSA-N 1 1 451.592 4.872 20 0 JJADMO CC[C@H](NC(=O)C[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC001460059843 1067541868 /nfs/dbraw/zinc/54/18/68/1067541868.db2.gz NOEIEEZETXVQMB-FQEVSTJZSA-N 1 1 454.920 4.910 20 0 JJADMO C[C@H]1CCCN(C(=O)OC[C@H]2CCCC[N@H+]2CCOc2cc(F)cc(Br)c2)C1 ZINC001460068154 1067545139 /nfs/dbraw/zinc/54/51/39/1067545139.db2.gz DIPZLIZLNYYEBS-QFBILLFUSA-N 1 1 457.384 4.690 20 0 JJADMO C[C@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)C[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001460073776 1067546861 /nfs/dbraw/zinc/54/68/61/1067546861.db2.gz SYALRJSEMJCGLF-BOCKYXSRSA-N 1 1 456.549 4.984 20 0 JJADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@H](C)C(=O)Nc3ccc(Br)cc3)C2)s1 ZINC001460076317 1067547701 /nfs/dbraw/zinc/54/77/01/1067547701.db2.gz SRQNSXXZXUAPDO-IAGOWNOFSA-N 1 1 450.446 4.600 20 0 JJADMO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@H]1CCc2cc(Br)ccc2NC1=O ZINC001460083687 1067549450 /nfs/dbraw/zinc/54/94/50/1067549450.db2.gz ZOJLJJHPZUGJAS-SFHVURJKSA-N 1 1 457.290 4.776 20 0 JJADMO FC(F)Oc1ccc(-n2nnnc2C[N@@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC001460086211 1067550243 /nfs/dbraw/zinc/55/02/43/1067550243.db2.gz NEQSTSHCSSMHFI-HNNXBMFYSA-N 1 1 453.415 4.662 20 0 JJADMO FC(F)Oc1ccc(-n2nnnc2C[N@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC001460086211 1067550252 /nfs/dbraw/zinc/55/02/52/1067550252.db2.gz NEQSTSHCSSMHFI-HNNXBMFYSA-N 1 1 453.415 4.662 20 0 JJADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCC([C@H](F)c3ccccc3F)CC2)CC1 ZINC001460087391 1067550804 /nfs/dbraw/zinc/55/08/04/1067550804.db2.gz ZSITZGICJSPDPF-MHZLTWQESA-N 1 1 455.593 4.591 20 0 JJADMO COc1ccc(CN2CCN(C(=O)C[N@H+](CC(C)C)[C@H](C)c3ccccc3Cl)CC2)cc1 ZINC001460088559 1067551300 /nfs/dbraw/zinc/55/13/00/1067551300.db2.gz JVDWESYJNAGOOE-OAQYLSRUSA-N 1 1 458.046 4.712 20 0 JJADMO COc1ccc(CN2CCN(C(=O)C[N@@H+](CC(C)C)[C@H](C)c3ccccc3Cl)CC2)cc1 ZINC001460088559 1067551309 /nfs/dbraw/zinc/55/13/09/1067551309.db2.gz JVDWESYJNAGOOE-OAQYLSRUSA-N 1 1 458.046 4.712 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCC[N@@H+](CC(=O)Nc3cccc(C(F)(F)F)c3)C2)C1 ZINC001460110519 1067556949 /nfs/dbraw/zinc/55/69/49/1067556949.db2.gz PKKGVOUUVRHCSJ-IRXDYDNUSA-N 1 1 455.521 4.613 20 0 JJADMO C[C@@H]1CN(C(=O)c2cc(Br)ccc2OC(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001460115898 1067558450 /nfs/dbraw/zinc/55/84/50/1067558450.db2.gz AYRXIZZTZAOSPQ-HNNXBMFYSA-N 1 1 453.327 4.645 20 0 JJADMO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([N@H+](C)C[C@H]2OCCc3ccccc32)C1=O ZINC001460125179 1067560155 /nfs/dbraw/zinc/56/01/55/1067560155.db2.gz FMZYYFUMLPJWPM-FGZHOGPDSA-N 1 1 457.412 4.807 20 0 JJADMO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([N@@H+](C)C[C@H]2OCCc3ccccc32)C1=O ZINC001460125179 1067560157 /nfs/dbraw/zinc/56/01/57/1067560157.db2.gz FMZYYFUMLPJWPM-FGZHOGPDSA-N 1 1 457.412 4.807 20 0 JJADMO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cs1)c1ccc(C(F)(F)F)cc1 ZINC001460135165 1067561935 /nfs/dbraw/zinc/56/19/35/1067561935.db2.gz MPSVURDGCROPFU-VAMGGRTRSA-N 1 1 453.530 4.972 20 0 JJADMO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cs1)c1ccc(C(F)(F)F)cc1 ZINC001460135165 1067561941 /nfs/dbraw/zinc/56/19/41/1067561941.db2.gz MPSVURDGCROPFU-VAMGGRTRSA-N 1 1 453.530 4.972 20 0 JJADMO COc1ccc(C[C@@H]2CCC[N@H+]([C@@H]3CN(C(=O)OC(C)(C)C)c4ccccc4[C@H]3O)C2)cc1 ZINC001460136799 1067562328 /nfs/dbraw/zinc/56/23/28/1067562328.db2.gz SRAHMYOFOHKAJM-BUUDZMLXSA-N 1 1 452.595 4.807 20 0 JJADMO CCOC(=O)c1c(NC(=O)[C@@H](c2ccccc2)[N@H+](CC)C[C@H](C)OC)sc2c1CCCC2 ZINC001460137198 1067562402 /nfs/dbraw/zinc/56/24/02/1067562402.db2.gz GFLCURKXHBFSKJ-HTAPYJJXSA-N 1 1 458.624 4.840 20 0 JJADMO CCOC(=O)c1c(NC(=O)[C@@H](c2ccccc2)[N@@H+](CC)C[C@H](C)OC)sc2c1CCCC2 ZINC001460137198 1067562409 /nfs/dbraw/zinc/56/24/09/1067562409.db2.gz GFLCURKXHBFSKJ-HTAPYJJXSA-N 1 1 458.624 4.840 20 0 JJADMO CCOC(=O)c1c(NC(=O)[C@H](c2ccccc2)[N@H+](CC)C[C@@H](C)OC)sc2c1CCCC2 ZINC001460137201 1067562429 /nfs/dbraw/zinc/56/24/29/1067562429.db2.gz GFLCURKXHBFSKJ-VGSWGCGISA-N 1 1 458.624 4.840 20 0 JJADMO CCOC(=O)c1c(NC(=O)[C@H](c2ccccc2)[N@@H+](CC)C[C@@H](C)OC)sc2c1CCCC2 ZINC001460137201 1067562432 /nfs/dbraw/zinc/56/24/32/1067562432.db2.gz GFLCURKXHBFSKJ-VGSWGCGISA-N 1 1 458.624 4.840 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@H](C[N@H+]3CC[C@H](Sc4cccc(Cl)c4)C3)C2)C1 ZINC001460146566 1067564563 /nfs/dbraw/zinc/56/45/63/1067564563.db2.gz YTPGHDVXYJDYKO-GREBRCKQSA-N 1 1 453.048 4.923 20 0 JJADMO COc1cc(NC(=O)CC[N@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)cc(OC)c1OC ZINC001460145582 1067564600 /nfs/dbraw/zinc/56/46/00/1067564600.db2.gz OYTAONLEDZNEQF-GOSISDBHSA-N 1 1 450.988 4.561 20 0 JJADMO CC[N@@H+](Cc1cc(I)cc(I)c1)CC(C)(C)C ZINC001460154086 1067566015 /nfs/dbraw/zinc/56/60/15/1067566015.db2.gz WSEDQXKEVUUYAS-UHFFFAOYSA-N 1 1 457.137 4.764 20 0 JJADMO O[C@@H](COc1cc(F)cc(Br)c1)C[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC001460150581 1067565754 /nfs/dbraw/zinc/56/57/54/1067565754.db2.gz INIWUZWJPIEPPG-QPPBQGQZSA-N 1 1 456.355 4.976 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(Cl)c(F)c3)C2)C1 ZINC001460155693 1067566596 /nfs/dbraw/zinc/56/65/96/1067566596.db2.gz AWHHSHIFNXPCNC-SJORKVTESA-N 1 1 453.986 4.777 20 0 JJADMO CCOc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001460155827 1067566608 /nfs/dbraw/zinc/56/66/08/1067566608.db2.gz BRMILBCSABPLIP-HBMCJLEFSA-N 1 1 459.631 4.771 20 0 JJADMO CCOC(=O)[C@H](CCc1ccccc1)[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460160027 1067567132 /nfs/dbraw/zinc/56/71/32/1067567132.db2.gz UJEPXXQBQNGEBZ-HJOGWXRNSA-N 1 1 458.643 4.910 20 0 JJADMO Cc1ccccc1C[N@H+](Cc1ccccn1)C[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001460158467 1067567213 /nfs/dbraw/zinc/56/72/13/1067567213.db2.gz PNCLIJVCEDLHJM-SHQCIBLASA-N 1 1 451.611 4.808 20 0 JJADMO CCOc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001460160991 1067567610 /nfs/dbraw/zinc/56/76/10/1067567610.db2.gz ZDLJMYSTVVODTO-NHCUHLMSSA-N 1 1 459.631 4.773 20 0 JJADMO CCOc1ccc(NC(=O)CC[N@H+]2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001460160990 1067567744 /nfs/dbraw/zinc/56/77/44/1067567744.db2.gz ZDLJMYSTVVODTO-LEWJYISDSA-N 1 1 459.631 4.773 20 0 JJADMO C[N@@H+](CCc1cccc(Br)c1)[C@H]1CCc2cc(Br)ccc2NC1=O ZINC001460168737 1067568839 /nfs/dbraw/zinc/56/88/39/1067568839.db2.gz FJKRVEGTTYWCOK-SFHVURJKSA-N 1 1 452.190 4.639 20 0 JJADMO Cc1nc(C(F)(F)F)c(C[NH2+][C@H](C)c2ccc(Br)cc2OCCCO)s1 ZINC001460171242 1067569633 /nfs/dbraw/zinc/56/96/33/1067569633.db2.gz IXAKMVONRGMXBV-SNVBAGLBSA-N 1 1 453.324 4.845 20 0 JJADMO CCc1cc2c(C[N@H+]3CCCC[C@H]3[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc(=O)oc2cc1O ZINC001460171010 1067569668 /nfs/dbraw/zinc/56/96/68/1067569668.db2.gz ABQAWVZDGHZYRI-NQIIRXRSSA-N 1 1 456.583 4.673 20 0 JJADMO CCc1cc2c(C[N@H+]3CCCC[C@H]3[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc(=O)oc2cc1O ZINC001460171021 1067569800 /nfs/dbraw/zinc/56/98/00/1067569800.db2.gz ABQAWVZDGHZYRI-RXVVDRJESA-N 1 1 456.583 4.673 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@H+]2CCCC[C@@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460173332 1067570243 /nfs/dbraw/zinc/57/02/43/1067570243.db2.gz HUQRGPABYKADLS-DOIPELPJSA-N 1 1 451.652 4.791 20 0 JJADMO O=C(CC[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1)Nc1ccccc1C(=O)c1ccccc1 ZINC001460183714 1067573967 /nfs/dbraw/zinc/57/39/67/1067573967.db2.gz VDXYHTFTAIBHMR-GDLZYMKVSA-N 1 1 456.586 4.563 20 0 JJADMO CCC[C@]1(CO)CC[N@H+](CC(=O)N(Cc2ccccc2)c2nc3c(ccc(C)c3C)s2)C1 ZINC001460185754 1067574276 /nfs/dbraw/zinc/57/42/76/1067574276.db2.gz OQFKUYCNDUHECX-SANMLTNESA-N 1 1 451.636 4.931 20 0 JJADMO CCC[C@]1(CO)CC[N@@H+](CC(=O)N(Cc2ccccc2)c2nc3c(ccc(C)c3C)s2)C1 ZINC001460185754 1067574280 /nfs/dbraw/zinc/57/42/80/1067574280.db2.gz OQFKUYCNDUHECX-SANMLTNESA-N 1 1 451.636 4.931 20 0 JJADMO CCOc1ccc([C@H](C)NC(=O)C[NH2+][C@H](C)c2ccc(Br)cc2F)cc1OC ZINC001460190492 1067575335 /nfs/dbraw/zinc/57/53/35/1067575335.db2.gz SVGMHGZFGSXLSQ-UONOGXRCSA-N 1 1 453.352 4.524 20 0 JJADMO O=C(CC[N@H+]1CCC[C@@H]1c1ccc(Br)cn1)Nc1ccccc1Br ZINC001460200628 1067577854 /nfs/dbraw/zinc/57/78/54/1067577854.db2.gz AHHWDQJZPSEAPK-QGZVFWFLSA-N 1 1 453.178 4.772 20 0 JJADMO O=C(CC[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1)Nc1ccccc1Br ZINC001460200628 1067577861 /nfs/dbraw/zinc/57/78/61/1067577861.db2.gz AHHWDQJZPSEAPK-QGZVFWFLSA-N 1 1 453.178 4.772 20 0 JJADMO NC(=O)c1c(NC(=O)C[NH2+][C@H](c2c(Cl)cccc2Cl)C2CC2)sc2c1CCCC2 ZINC001460200883 1067577958 /nfs/dbraw/zinc/57/79/58/1067577958.db2.gz XEEWCGFPRJJBTQ-IBGZPJMESA-N 1 1 452.407 4.712 20 0 JJADMO C[C@H]1CC[N@@H+](CC(=O)N(Cc2ccccc2)c2ccccc2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001460206509 1067578835 /nfs/dbraw/zinc/57/88/35/1067578835.db2.gz SHNBTDXPWIJORQ-GMAHTHKFSA-N 1 1 451.611 4.703 20 0 JJADMO CN(C)c1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001460217166 1067581716 /nfs/dbraw/zinc/58/17/16/1067581716.db2.gz XPKPXNFCKAXOGO-REWPJTCUSA-N 1 1 458.647 4.583 20 0 JJADMO COc1cccc(-c2nnc(C[N@H+]3CCCC[C@H]3[C@H]3CCCN(C(=O)OC(C)(C)C)C3)o2)c1 ZINC001460217066 1067581815 /nfs/dbraw/zinc/58/18/15/1067581815.db2.gz WYFFXUTWSBSHNO-FPOVZHCZSA-N 1 1 456.587 4.747 20 0 JJADMO O[C@@H]1CC[N@@H+](CCCOc2c(Br)cccc2Br)C[C@H]1C1CCCC1 ZINC001460223564 1067583535 /nfs/dbraw/zinc/58/35/35/1067583535.db2.gz CDPXOPWSRGEUMU-MAUKXSAKSA-N 1 1 461.238 4.854 20 0 JJADMO COC(=O)c1cccc(-c2nc(C[NH+]3CCC([C@@H](O)c4cc(F)ccc4F)CC3)cs2)c1 ZINC001460224668 1067583786 /nfs/dbraw/zinc/58/37/86/1067583786.db2.gz OJAOCRSNPIKDDQ-JOCHJYFZSA-N 1 1 458.530 4.821 20 0 JJADMO COc1cccc([C@H]2C[C@H]([N@@H+](C)C[C@@H](O)COc3ccc(Cl)cc3Br)C2)c1 ZINC001460230414 1067584949 /nfs/dbraw/zinc/58/49/49/1067584949.db2.gz MBSUYNCBWWYBBQ-KBAYOESNSA-N 1 1 454.792 4.729 20 0 JJADMO O=C(C[NH+]1CCC(Cc2cc(F)ccc2F)CC1)Nc1ccccc1C(=O)NC1CCCC1 ZINC001460237052 1067587420 /nfs/dbraw/zinc/58/74/20/1067587420.db2.gz UXWLXFWQTBVGRL-UHFFFAOYSA-N 1 1 455.549 4.530 20 0 JJADMO COc1ccc([C@H](O)C[N@@H+](CC(=O)Nc2cccc(Cl)c2)[C@@H](C)Cc2ccccc2)cc1 ZINC001460238420 1067587728 /nfs/dbraw/zinc/58/77/28/1067587728.db2.gz DGZVLDSVZACTKP-UQBPGWFLSA-N 1 1 452.982 4.954 20 0 JJADMO COc1ccc([C@@H](O)C[N@@H+](CC(=O)Nc2cccc(Cl)c2)[C@H](C)Cc2ccccc2)cc1 ZINC001460238398 1067587805 /nfs/dbraw/zinc/58/78/05/1067587805.db2.gz DGZVLDSVZACTKP-CLOONOSVSA-N 1 1 452.982 4.954 20 0 JJADMO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC001460238518 1067588167 /nfs/dbraw/zinc/58/81/67/1067588167.db2.gz QLGPIEKMKVVADJ-MFEFFIJZSA-N 1 1 455.396 4.833 20 0 JJADMO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC001460238518 1067588173 /nfs/dbraw/zinc/58/81/73/1067588173.db2.gz QLGPIEKMKVVADJ-MFEFFIJZSA-N 1 1 455.396 4.833 20 0 JJADMO COc1cc(Br)ccc1CCC[N@@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC001460240127 1067588537 /nfs/dbraw/zinc/58/85/37/1067588537.db2.gz WXDUZUQGCDQYPA-SFHVURJKSA-N 1 1 457.206 4.818 20 0 JJADMO CC(C)c1sc(NC(=O)C[N@@H+](C)C2CCN(CC(F)(F)F)CC2)nc1-c1ccccc1 ZINC001460240007 1067588729 /nfs/dbraw/zinc/58/87/29/1067588729.db2.gz QMTRHAUITHZQQY-UHFFFAOYSA-N 1 1 454.562 4.831 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@@H+]2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001460244013 1067589892 /nfs/dbraw/zinc/58/98/92/1067589892.db2.gz WYCKWAFRJZKXLQ-GXKRZCMTSA-N 1 1 477.621 4.812 20 0 JJADMO CC(C)OCc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2Cc2ccccc2Br)cc1 ZINC001460274849 1067595737 /nfs/dbraw/zinc/59/57/37/1067595737.db2.gz YVJPIQZVCSPLHD-QFIPXVFZSA-N 1 1 459.428 4.697 20 0 JJADMO CC(C)OCc1ccc(CNC(=O)C[N@H+]2CCC[C@H]2Cc2ccccc2Br)cc1 ZINC001460274849 1067595742 /nfs/dbraw/zinc/59/57/42/1067595742.db2.gz YVJPIQZVCSPLHD-QFIPXVFZSA-N 1 1 459.428 4.697 20 0 JJADMO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C ZINC001460274278 1067595768 /nfs/dbraw/zinc/59/57/68/1067595768.db2.gz XCNRRTJEVQRXPP-JKBKZWBZSA-N 1 1 457.615 4.823 20 0 JJADMO C[C@H]1CC2(C[N@H+]1C[C@@H](O)c1ccccc1Br)CCN(C(=O)OC(C)(C)C)CC2 ZINC001460279172 1067596516 /nfs/dbraw/zinc/59/65/16/1067596516.db2.gz YCQSPBDXJZFBDT-QFBILLFUSA-N 1 1 453.421 4.594 20 0 JJADMO O=C(C[NH+]1CCC(c2nc3c(s2)CCCC3)CC1)NCCc1cccc(Cl)c1Cl ZINC001460281335 1067597597 /nfs/dbraw/zinc/59/75/97/1067597597.db2.gz VJBDXMNZWSNOMF-UHFFFAOYSA-N 1 1 452.451 4.867 20 0 JJADMO CCC1(CC)CN(c2nnc(-c3ccc(Cl)cc3)n2CCCC[N@H+]2CCC[C@H]2CO)CCS1 ZINC001546115289 1067599967 /nfs/dbraw/zinc/59/99/67/1067599967.db2.gz YWUQTDPDUNHORH-QFIPXVFZSA-N 1 1 492.133 4.947 20 0 JJADMO CC(C)(C)OC(=O)CC[N@@H+](Cc1nnc(-c2c(Cl)cccc2Cl)o1)C1CCOCC1 ZINC001460305097 1067603276 /nfs/dbraw/zinc/60/32/76/1067603276.db2.gz NCMXNSVEVXGACH-UHFFFAOYSA-N 1 1 456.370 4.756 20 0 JJADMO C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC001460306440 1067603766 /nfs/dbraw/zinc/60/37/66/1067603766.db2.gz BFWSNWRBQGMFMH-INIZCTEOSA-N 1 1 452.352 4.813 20 0 JJADMO O=C(Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)c1ccc(I)cc1 ZINC001460306778 1067603778 /nfs/dbraw/zinc/60/37/78/1067603778.db2.gz FFKQWFCVOBWCES-UHFFFAOYSA-N 1 1 455.299 4.501 20 0 JJADMO C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](Cc2cccc(C(=O)NCc3ccco3)c2)[C@@H]1C ZINC001460308079 1067604252 /nfs/dbraw/zinc/60/42/52/1067604252.db2.gz MQCQTKHJUDWUEI-KNKQGSTJSA-N 1 1 455.599 4.723 20 0 JJADMO CC(C)(C)OC(=O)COc1ccc(C(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)cc1 ZINC001460308700 1067604610 /nfs/dbraw/zinc/60/46/10/1067604610.db2.gz SYWLRLISLVZELD-UHFFFAOYSA-N 1 1 459.546 4.617 20 0 JJADMO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)C[C@H]1c1ccc(O)cc1 ZINC001460308735 1067604693 /nfs/dbraw/zinc/60/46/93/1067604693.db2.gz REPOSYOROVLRRY-OFAXGOBFSA-N 1 1 476.598 4.759 20 0 JJADMO COC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)C[C@H]1c1ccc(O)cc1 ZINC001460308735 1067604699 /nfs/dbraw/zinc/60/46/99/1067604699.db2.gz REPOSYOROVLRRY-OFAXGOBFSA-N 1 1 476.598 4.759 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCOc2ccc(F)c(Cl)c2)C1 ZINC001460317544 1067606362 /nfs/dbraw/zinc/60/63/62/1067606362.db2.gz LQGMPGSYHFWYAO-TYCQWZJGSA-N 1 1 456.986 4.785 20 0 JJADMO CCc1csc(CC2CC[NH+]([C@@H]3CCN(c4cccc(OC(F)(F)F)c4)C3=O)CC2)n1 ZINC001460316003 1067606388 /nfs/dbraw/zinc/60/63/88/1067606388.db2.gz NRTJFCIPNLMYPL-LJQANCHMSA-N 1 1 453.530 4.664 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ncc(-c3ccccc3F)o2)C1 ZINC001460317714 1067606722 /nfs/dbraw/zinc/60/67/22/1067606722.db2.gz NHJCNDYEJYOWPG-UIFIKXQLSA-N 1 1 459.562 4.908 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ncc(-c3ccccc3F)o2)C1 ZINC001460317714 1067606726 /nfs/dbraw/zinc/60/67/26/1067606726.db2.gz NHJCNDYEJYOWPG-UIFIKXQLSA-N 1 1 459.562 4.908 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCSc2ccc(F)cc2F)C1 ZINC001460319348 1067607305 /nfs/dbraw/zinc/60/73/05/1067607305.db2.gz VSUPHYVFYDPHCA-YZGWKJHDSA-N 1 1 456.599 4.984 20 0 JJADMO Cc1cc(C)n(-c2ccc(C(=O)N3CC[N@H+](CCCc4ccccc4)C[C@@H]3CC(C)C)cn2)n1 ZINC001460322471 1067608088 /nfs/dbraw/zinc/60/80/88/1067608088.db2.gz BOGKVIBJVUWPNE-SANMLTNESA-N 1 1 459.638 4.689 20 0 JJADMO CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)CCc1ccc2c(c1)OCCO2 ZINC001460325978 1067608547 /nfs/dbraw/zinc/60/85/47/1067608547.db2.gz PVISODMUVTZZPG-VWLOTQADSA-N 1 1 450.623 4.582 20 0 JJADMO CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)C[N@@H+]1CCc2ccccc2[C@H](C)C1 ZINC001460339131 1067611450 /nfs/dbraw/zinc/61/14/50/1067611450.db2.gz GOKUXWNXMMPZLA-MRXNPFEDSA-N 1 1 451.592 4.690 20 0 JJADMO CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)C[N@H+]1CCc2ccccc2[C@H](C)C1 ZINC001460339131 1067611453 /nfs/dbraw/zinc/61/14/53/1067611453.db2.gz GOKUXWNXMMPZLA-MRXNPFEDSA-N 1 1 451.592 4.690 20 0 JJADMO C[C@H]1C[N@@H+](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CCc2ccc(Cl)cc21 ZINC001460338414 1067611493 /nfs/dbraw/zinc/61/14/93/1067611493.db2.gz MJGBWKGMXFFUNG-NWVWQQAFSA-N 1 1 459.030 4.799 20 0 JJADMO CCO[C@@H]1C[N@H+](Cc2cc(Cl)c(C)cc2Br)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460352396 1067615038 /nfs/dbraw/zinc/61/50/38/1067615038.db2.gz PWJULJKCYZEFSM-CRAIPNDOSA-N 1 1 461.828 4.773 20 0 JJADMO CCO[C@@H]1C[N@@H+](Cc2cc(Cl)c(C)cc2Br)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460352396 1067615041 /nfs/dbraw/zinc/61/50/41/1067615041.db2.gz PWJULJKCYZEFSM-CRAIPNDOSA-N 1 1 461.828 4.773 20 0 JJADMO COc1ccc(C[C@H]2CCCC[N@H+]2C[C@@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001460358761 1067617377 /nfs/dbraw/zinc/61/73/77/1067617377.db2.gz GVCGXFMURWQRBZ-VWNXMTODSA-N 1 1 458.643 4.898 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ncc(-c4ccccc4F)o3)C2)C1 ZINC001460360603 1067617868 /nfs/dbraw/zinc/61/78/68/1067617868.db2.gz CWMKWJSCJYESRH-UEXGIBASSA-N 1 1 459.562 4.765 20 0 JJADMO Cc1ccc(S(=O)(=O)N[C@@H](C[N@H+]2CCS[C@H](c3ccccc3)C2)c2ccccc2)cc1 ZINC001460362369 1067618453 /nfs/dbraw/zinc/61/84/53/1067618453.db2.gz OWSONFACWFNPFA-DQEYMECFSA-N 1 1 452.645 4.805 20 0 JJADMO CCc1ccc([C@H](NC(=O)C[N@H+]2CC[C@H](C(=O)OC)[C@@H]3CCCC[C@H]32)c2cccs2)cc1 ZINC001460368410 1067620032 /nfs/dbraw/zinc/62/00/32/1067620032.db2.gz XXGSVCXIABOYNP-FUCAVZNHSA-N 1 1 454.636 4.570 20 0 JJADMO C[C@@H]1CN(c2ccc(NC(=O)C[N@H+]3CCC[C@]3(C)Cc3ccccc3Cl)cc2)C[C@@H](C)O1 ZINC001460404171 1067627678 /nfs/dbraw/zinc/62/76/78/1067627678.db2.gz NEGRECBEWPAIFM-XMERXJNXSA-N 1 1 456.030 4.989 20 0 JJADMO CCn1c2ccccc2c2cc(NC(=O)C[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)ccc21 ZINC001460417360 1067631848 /nfs/dbraw/zinc/63/18/48/1067631848.db2.gz OHXODTNLWIZYMV-UHFFFAOYSA-N 1 1 452.599 4.988 20 0 JJADMO CCn1c2ccccc2c2cc(NC(=O)C[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)ccc21 ZINC001460417360 1067631852 /nfs/dbraw/zinc/63/18/52/1067631852.db2.gz OHXODTNLWIZYMV-UHFFFAOYSA-N 1 1 452.599 4.988 20 0 JJADMO CC(C)[C@@H]1CN([C@@H]2CCc3cc(Br)ccc3NC2=O)CC[N@H+]1Cc1ccccc1 ZINC001460428477 1067633125 /nfs/dbraw/zinc/63/31/25/1067633125.db2.gz GXSWQJKCNABOQR-PKTZIBPZSA-N 1 1 456.428 4.545 20 0 JJADMO CC(C)[C@H]1CN([C@H]2CCc3cc(Br)ccc3NC2=O)CC[N@H+]1Cc1ccccc1 ZINC001460428480 1067633223 /nfs/dbraw/zinc/63/32/23/1067633223.db2.gz GXSWQJKCNABOQR-XZOQPEGZSA-N 1 1 456.428 4.545 20 0 JJADMO O=C(Nc1nc(CC(F)(F)F)cs1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001460433614 1067633980 /nfs/dbraw/zinc/63/39/80/1067633980.db2.gz HVLGDNVYXAUCHV-HZPDHXFCSA-N 1 1 452.527 4.559 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3)nc2)CC[C@H]1C(F)(F)F ZINC001460440541 1067635446 /nfs/dbraw/zinc/63/54/46/1067635446.db2.gz AYBSGFLSJVJEBQ-RTBURBONSA-N 1 1 450.505 4.669 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)nc2)CC[C@H]1C(F)(F)F ZINC001460440541 1067635448 /nfs/dbraw/zinc/63/54/48/1067635448.db2.gz AYBSGFLSJVJEBQ-RTBURBONSA-N 1 1 450.505 4.669 20 0 JJADMO CC[N@@H+](C/C=C\c1ccc(Cl)cc1)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460441952 1067635710 /nfs/dbraw/zinc/63/57/10/1067635710.db2.gz DHCUEQCGGQQNRX-QULHZPMSSA-N 1 1 450.023 4.533 20 0 JJADMO Ic1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CCCCO4)C3)co2)cc1 ZINC001460452095 1067637019 /nfs/dbraw/zinc/63/70/19/1067637019.db2.gz KRTFPEDMQDZFDD-QFBILLFUSA-N 1 1 452.336 4.727 20 0 JJADMO COc1ccc(N=c2scc(C[N@H+]3CC[C@H](C)[C@H](CO)C3)n2[C@@H](C)c2ccccc2)cc1 ZINC001460501907 1067645743 /nfs/dbraw/zinc/64/57/43/1067645743.db2.gz FCOXTJAQTFUPRP-ONTIZHBOSA-N 1 1 451.636 4.850 20 0 JJADMO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@H+](CC(=O)Nc1cccc(Oc3ccccc3)c1)C2 ZINC001460516734 1067647500 /nfs/dbraw/zinc/64/75/00/1067647500.db2.gz LHRRDMZSPDAZHC-NIYFSFCBSA-N 1 1 451.567 4.797 20 0 JJADMO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@@H+](CC(=O)Nc1cccc(Oc3ccccc3)c1)C2 ZINC001460516734 1067647503 /nfs/dbraw/zinc/64/75/03/1067647503.db2.gz LHRRDMZSPDAZHC-NIYFSFCBSA-N 1 1 451.567 4.797 20 0 JJADMO COC(=O)c1cnc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N[C@H](C)c3cccc4ccccc43)C2)s1 ZINC001460524942 1067649631 /nfs/dbraw/zinc/64/96/31/1067649631.db2.gz HQOICICBNLXAJF-ZHALLVOQSA-N 1 1 451.592 4.528 20 0 JJADMO COC(=O)c1cnc([C@@H]2CCC[N@H+]([C@H](C)C(=O)N[C@H](C)c3cccc4ccccc43)C2)s1 ZINC001460524942 1067649635 /nfs/dbraw/zinc/64/96/35/1067649635.db2.gz HQOICICBNLXAJF-ZHALLVOQSA-N 1 1 451.592 4.528 20 0 JJADMO COC(=O)c1cnc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c3cccc4ccccc43)C2)s1 ZINC001460524931 1067649800 /nfs/dbraw/zinc/64/98/00/1067649800.db2.gz HQOICICBNLXAJF-JENIJYKNSA-N 1 1 451.592 4.528 20 0 JJADMO COC(=O)c1cnc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c3cccc4ccccc43)C2)s1 ZINC001460524931 1067649804 /nfs/dbraw/zinc/64/98/04/1067649804.db2.gz HQOICICBNLXAJF-JENIJYKNSA-N 1 1 451.592 4.528 20 0 JJADMO COc1ccc(C([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)c2ccc(OC)cc2)cc1 ZINC001460605747 1067669195 /nfs/dbraw/zinc/66/91/95/1067669195.db2.gz JJAJNZQOXLYTFL-HSZRJFAPSA-N 1 1 454.929 4.981 20 0 JJADMO C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001460633871 1067679499 /nfs/dbraw/zinc/67/94/99/1067679499.db2.gz NRDWTWDHLIWFIM-ZFWWWQNUSA-N 1 1 458.386 4.869 20 0 JJADMO C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001460633871 1067679508 /nfs/dbraw/zinc/67/95/08/1067679508.db2.gz NRDWTWDHLIWFIM-ZFWWWQNUSA-N 1 1 458.386 4.869 20 0 JJADMO CN(CCCOc1ccc(F)cc1)C(=O)C[N@H+]1CCC[C@]1(C)Cc1ccc(Cl)c(F)c1 ZINC001460634508 1067680052 /nfs/dbraw/zinc/68/00/52/1067680052.db2.gz DFIDBMFEMVRFOL-XMMPIXPASA-N 1 1 450.957 4.943 20 0 JJADMO CN(CCCOc1ccc(F)cc1)C(=O)C[N@H+]1CCC[C@@]1(C)Cc1ccc(Cl)c(F)c1 ZINC001460634507 1067680280 /nfs/dbraw/zinc/68/02/80/1067680280.db2.gz DFIDBMFEMVRFOL-DEOSSOPVSA-N 1 1 450.957 4.943 20 0 JJADMO 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CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC001460664415 1067693059 /nfs/dbraw/zinc/69/30/59/1067693059.db2.gz IJVODHIMIXNREA-QFBILLFUSA-N 1 1 455.521 4.755 20 0 JJADMO COc1ncc(Br)cc1C[N@@H+]1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001460673020 1067695546 /nfs/dbraw/zinc/69/55/46/1067695546.db2.gz ADMDRXBSSXASPM-NRFANRHFSA-N 1 1 456.425 4.616 20 0 JJADMO COc1ncc(Br)cc1C[N@H+]1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001460673020 1067695549 /nfs/dbraw/zinc/69/55/49/1067695549.db2.gz ADMDRXBSSXASPM-NRFANRHFSA-N 1 1 456.425 4.616 20 0 JJADMO Cc1ccc(CCC2CCN(C(=O)C[N@@H+]3CCCC[C@@H]3CNC(=O)OC(C)(C)C)CC2)cc1 ZINC001460675697 1067697026 /nfs/dbraw/zinc/69/70/26/1067697026.db2.gz PLTJWIAIRUSXAX-XMMPIXPASA-N 1 1 457.659 4.545 20 0 JJADMO Cc1ccc(CCC2CCN(C(=O)C[N@H+]3CCCC[C@@H]3CNC(=O)OC(C)(C)C)CC2)cc1 ZINC001460675697 1067697031 /nfs/dbraw/zinc/69/70/31/1067697031.db2.gz PLTJWIAIRUSXAX-XMMPIXPASA-N 1 1 457.659 4.545 20 0 JJADMO CC(C)(C)OC(=O)Nc1ccc2c(c1)OCC[N@H+](CC[C@H]1Sc3ccccc3NC1=O)C2 ZINC001460675762 1067697065 /nfs/dbraw/zinc/69/70/65/1067697065.db2.gz QHUIBWGXVRNNNE-OAQYLSRUSA-N 1 1 455.580 4.731 20 0 JJADMO CCOC(=O)c1sc2nc(C[N@@H+]3CCC[C@@H](c4ccccc4OC)CC3)nc(N)c2c1C ZINC001460678998 1067698741 /nfs/dbraw/zinc/69/87/41/1067698741.db2.gz SSMFJGQRGPRRQS-MRXNPFEDSA-N 1 1 454.596 4.537 20 0 JJADMO CCOC(=O)c1sc2nc(C[N@H+]3CCC[C@@H](c4ccccc4OC)CC3)nc(N)c2c1C ZINC001460678998 1067698742 /nfs/dbraw/zinc/69/87/42/1067698742.db2.gz SSMFJGQRGPRRQS-MRXNPFEDSA-N 1 1 454.596 4.537 20 0 JJADMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCOc2ccc(Br)cc21 ZINC001460682698 1067700739 /nfs/dbraw/zinc/70/07/39/1067700739.db2.gz ZLRXNQCKMJFRLS-FPOVZHCZSA-N 1 1 457.412 4.734 20 0 JJADMO O=C(C[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)N1c2ccccc2CCc2ccccc21 ZINC001460699410 1067704178 /nfs/dbraw/zinc/70/41/78/1067704178.db2.gz YZEFGMARPLMJLL-PXDATVDWSA-N 1 1 454.492 4.574 20 0 JJADMO O=C(C[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)N1c2ccccc2CCc2ccccc21 ZINC001460699413 1067704267 /nfs/dbraw/zinc/70/42/67/1067704267.db2.gz YZEFGMARPLMJLL-SQJMNOBHSA-N 1 1 454.492 4.574 20 0 JJADMO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCCSC[C@@H]2c2ccccc2)c(C(F)(F)F)c1 ZINC001460704881 1067705360 /nfs/dbraw/zinc/70/53/60/1067705360.db2.gz GFVDJQRLHFWWTA-HXUWFJFHSA-N 1 1 451.514 4.783 20 0 JJADMO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCCSC[C@@H]2c2ccccc2)c(C(F)(F)F)c1 ZINC001460704881 1067705366 /nfs/dbraw/zinc/70/53/66/1067705366.db2.gz GFVDJQRLHFWWTA-HXUWFJFHSA-N 1 1 451.514 4.783 20 0 JJADMO CN(C)c1nc2c(s1)C[N@@H+](C[C@H](O)c1ccc(-c3ccc(Br)cc3)cc1)CC2 ZINC001460711464 1067706768 /nfs/dbraw/zinc/70/67/68/1067706768.db2.gz DOXYQVKGQMWPBE-FQEVSTJZSA-N 1 1 458.425 4.730 20 0 JJADMO COc1cccc([C@H]2CC[N@@H+](CC(=O)N3CCC[C@H]3c3ccc(OC)c(OC)c3)C2(C)C)c1 ZINC001460720009 1067708901 /nfs/dbraw/zinc/70/89/01/1067708901.db2.gz QBRIRUFLIXLMLJ-PKTZIBPZSA-N 1 1 452.595 4.644 20 0 JJADMO 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CC(C)(C)OC(=O)N[C@@H](C[C@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)nc2)C1)C1CCCC1 ZINC001460750838 1067715481 /nfs/dbraw/zinc/71/54/81/1067715481.db2.gz WVLZGCRETKRQAV-OFNKIYASSA-N 1 1 453.631 4.953 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](C[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CCOCC3)O2)C1)C1CCCC1 ZINC001460751845 1067716000 /nfs/dbraw/zinc/71/60/00/1067716000.db2.gz RCGKFXVNWYLYBY-AKIFATBCSA-N 1 1 450.664 4.900 20 0 JJADMO Cc1cc2oc(=O)cc(C[N@H+]3C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C3)c2cc1C ZINC001460750878 1067716012 /nfs/dbraw/zinc/71/60/12/1067716012.db2.gz XNBLIIBUTMSTPN-FUHWJXTLSA-N 1 1 454.489 4.545 20 0 JJADMO O=C(COc1ccc(F)cc1Cl)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001460765614 1067719887 /nfs/dbraw/zinc/71/98/87/1067719887.db2.gz QQTOTRNQQVQYHK-JTHBVZDNSA-N 1 1 456.920 4.781 20 0 JJADMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001460774182 1067721137 /nfs/dbraw/zinc/72/11/37/1067721137.db2.gz GPUUFLWMQJMDEM-IFMALSPDSA-N 1 1 479.621 4.729 20 0 JJADMO 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CCOC(=O)c1sc(NC(=O)C[N@H+]2C[C@@H](C3CC3)C[C@H]2C2CC2)c(C(=O)OC(C)(C)C)c1C ZINC001460866146 1067737605 /nfs/dbraw/zinc/73/76/05/1067737605.db2.gz KBWDBKUWIIBNQI-ROUUACIJSA-N 1 1 476.639 4.638 20 0 JJADMO COC(=O)c1cnc([C@@H]2CC[N@@H+]([C@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)s1 ZINC001460867652 1067737902 /nfs/dbraw/zinc/73/79/02/1067737902.db2.gz OGPVZSSOFOQFEO-DGCLKSJQSA-N 1 1 452.458 4.549 20 0 JJADMO COC(=O)c1cnc([C@@H]2CC[N@H+]([C@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)s1 ZINC001460867652 1067737908 /nfs/dbraw/zinc/73/79/08/1067737908.db2.gz OGPVZSSOFOQFEO-DGCLKSJQSA-N 1 1 452.458 4.549 20 0 JJADMO CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CCC[C@H]2Cc2ccc(Br)cc2)cc1 ZINC001460870871 1067739078 /nfs/dbraw/zinc/73/90/78/1067739078.db2.gz IILUHOXDTZGMBS-QFIPXVFZSA-N 1 1 459.428 4.602 20 0 JJADMO C[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001460878921 1067740956 /nfs/dbraw/zinc/74/09/56/1067740956.db2.gz HQQJGBBCZMEFGO-ZRGWGRIASA-N 1 1 456.414 4.581 20 0 JJADMO CCC1(CC)CN(c2nnc(Cc3ccccn3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCS1 ZINC001546119839 1067741793 /nfs/dbraw/zinc/74/17/93/1067741793.db2.gz SCIXAYNUGUQZPJ-OAQYLSRUSA-N 1 1 470.731 4.886 20 0 JJADMO COc1cc(Br)ccc1CCC[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001460884591 1067742315 /nfs/dbraw/zinc/74/23/15/1067742315.db2.gz ZKVXEMOPIFXAAP-WMZOPIPTSA-N 1 1 455.437 4.873 20 0 JJADMO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001460889360 1067743788 /nfs/dbraw/zinc/74/37/88/1067743788.db2.gz KXUOFTWDUTXFJN-HOTGVXAUSA-N 1 1 451.792 4.603 20 0 JJADMO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001460889360 1067743794 /nfs/dbraw/zinc/74/37/94/1067743794.db2.gz KXUOFTWDUTXFJN-HOTGVXAUSA-N 1 1 451.792 4.603 20 0 JJADMO COc1ccccc1N1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001460931559 1067750269 /nfs/dbraw/zinc/75/02/69/1067750269.db2.gz RPEULUUTLSYTIG-HNNXBMFYSA-N 1 1 455.908 4.907 20 0 JJADMO COc1ccccc1N1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001460931559 1067750276 /nfs/dbraw/zinc/75/02/76/1067750276.db2.gz RPEULUUTLSYTIG-HNNXBMFYSA-N 1 1 455.908 4.907 20 0 JJADMO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@H+](CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)[C@H]1C ZINC001460939746 1067751190 /nfs/dbraw/zinc/75/11/90/1067751190.db2.gz OAVHCKGJHTXVEQ-GKAYAJSDSA-N 1 1 457.640 4.972 20 0 JJADMO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@@H+](CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)[C@H]1C ZINC001460939746 1067751197 /nfs/dbraw/zinc/75/11/97/1067751197.db2.gz OAVHCKGJHTXVEQ-GKAYAJSDSA-N 1 1 457.640 4.972 20 0 JJADMO C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@H+](C)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001460967806 1067754287 /nfs/dbraw/zinc/75/42/87/1067754287.db2.gz ZPYSNQLOQALGKK-ZYIUAKIQSA-N 1 1 453.370 4.902 20 0 JJADMO C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@@H+](C)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001460967806 1067754290 /nfs/dbraw/zinc/75/42/90/1067754290.db2.gz ZPYSNQLOQALGKK-ZYIUAKIQSA-N 1 1 453.370 4.902 20 0 JJADMO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1C[C@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460980040 1067756097 /nfs/dbraw/zinc/75/60/97/1067756097.db2.gz YBNAQANZPHNRHC-HOZJOUCCSA-N 1 1 458.628 4.640 20 0 JJADMO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1C[C@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460980040 1067756104 /nfs/dbraw/zinc/75/61/04/1067756104.db2.gz YBNAQANZPHNRHC-HOZJOUCCSA-N 1 1 458.628 4.640 20 0 JJADMO CC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC3(CCC[C@H]3CNC(=O)OC(C)(C)C)CC2)c1 ZINC001460982898 1067756780 /nfs/dbraw/zinc/75/67/80/1067756780.db2.gz SCNFWOZDKZANEZ-RXVVDRJESA-N 1 1 457.615 4.623 20 0 JJADMO CCN(C(=O)OC(C)(C)C)C1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC001460988148 1067758073 /nfs/dbraw/zinc/75/80/73/1067758073.db2.gz USXZBJOKMBNUQI-UXHICEINSA-N 1 1 457.659 4.853 20 0 JJADMO CC[N@@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460989521 1067758449 /nfs/dbraw/zinc/75/84/49/1067758449.db2.gz WWIDBGXIGHBQJW-NVXWUHKLSA-N 1 1 458.430 4.892 20 0 JJADMO CC[N@@H+](CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460989544 1067758580 /nfs/dbraw/zinc/75/85/80/1067758580.db2.gz XFRNZAAALKQSTF-IBGZPJMESA-N 1 1 458.430 4.673 20 0 JJADMO CC(C)c1nn(C)c(Cl)c1CNCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001461031241 1067765446 /nfs/dbraw/zinc/76/54/46/1067765446.db2.gz XPCOYEWUCQFTQR-UHFFFAOYSA-N 1 1 457.972 4.518 20 0 JJADMO CCOc1ccccc1Oc1ccc(C[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)cn2)cn1 ZINC001461062849 1067773509 /nfs/dbraw/zinc/77/35/09/1067773509.db2.gz ULEZYLMDCFTXHV-UHFFFAOYSA-N 1 1 451.527 4.699 20 0 JJADMO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]Cc1ccccc1Oc1cccc(C)c1 ZINC001461174759 1067793176 /nfs/dbraw/zinc/79/31/76/1067793176.db2.gz OEVUJGRNZJYKQJ-LJQANCHMSA-N 1 1 459.999 4.595 20 0 JJADMO COc1cc(C[NH2+]Cc2c(F)cc(Br)cc2F)cc(Br)c1OC ZINC001461179509 1067793905 /nfs/dbraw/zinc/79/39/05/1067793905.db2.gz HNHFFIAQBZAIQB-UHFFFAOYSA-N 1 1 451.105 4.797 20 0 JJADMO COc1ncc(Br)cc1C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC001461181697 1067794138 /nfs/dbraw/zinc/79/41/38/1067794138.db2.gz RDLGJDLCFGODLB-UHFFFAOYSA-N 1 1 452.093 4.506 20 0 JJADMO C[C@H](CNC(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccc(F)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001461215937 1067801056 /nfs/dbraw/zinc/80/10/56/1067801056.db2.gz XVPMMWFWBQUMPK-KURKYZTESA-N 1 1 455.549 4.660 20 0 JJADMO C[C@H](CNC(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccc(F)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001461215937 1067801063 /nfs/dbraw/zinc/80/10/63/1067801063.db2.gz XVPMMWFWBQUMPK-KURKYZTESA-N 1 1 455.549 4.660 20 0 JJADMO COC[C@@H](C)Oc1ccc(C[NH2+][C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461258056 1067812402 /nfs/dbraw/zinc/81/24/02/1067812402.db2.gz RTWXKEUIVCYMHP-IQGLISFBSA-N 1 1 457.567 4.522 20 0 JJADMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC001461288696 1067819136 /nfs/dbraw/zinc/81/91/36/1067819136.db2.gz KARUFVOBOAVQSE-RDPSFJRHSA-N 1 1 451.611 4.836 20 0 JJADMO Cc1ccc(C[NH+]2CCOCC2)cc1NCc1cc(Cl)ccc1I ZINC001461297891 1067821431 /nfs/dbraw/zinc/82/14/31/1067821431.db2.gz XFKAHQYKQFVYCF-UHFFFAOYSA-N 1 1 456.755 4.697 20 0 JJADMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C1=Cc2cc(Br)ccc2OC1 ZINC001461302731 1067823063 /nfs/dbraw/zinc/82/30/63/1067823063.db2.gz YLDXAAKZXXNCCC-OKZBNKHCSA-N 1 1 455.396 4.735 20 0 JJADMO C[C@@H]1CN(C(=O)C2=Cc3cc(Br)ccc3OC2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC001461302726 1067823153 /nfs/dbraw/zinc/82/31/53/1067823153.db2.gz YLDXAAKZXXNCCC-KZNAEPCWSA-N 1 1 455.396 4.735 20 0 JJADMO COC(=O)[C@]1(NC(=O)[C@@H](CC(C)C)c2ccc(Cl)cc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001461308351 1067824916 /nfs/dbraw/zinc/82/49/16/1067824916.db2.gz XFKJWNIJKSKHET-OZXSUGGESA-N 1 1 457.014 4.794 20 0 JJADMO CC[C@@H](C)CN(C)c1ccc(F)cc1CNc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1 ZINC001461316501 1067826698 /nfs/dbraw/zinc/82/66/98/1067826698.db2.gz GUPBMQQDQDDXKN-OAQYLSRUSA-N 1 1 454.634 4.627 20 0 JJADMO Cc1ccc(C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)c(OC[C@H]2CCCO2)c1 ZINC001461323469 1067827991 /nfs/dbraw/zinc/82/79/91/1067827991.db2.gz DUILFFXYLLGYDL-HXUWFJFHSA-N 1 1 456.384 4.995 20 0 JJADMO CCC(CC)(COCc1ccccc1)C(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001461327304 1067829433 /nfs/dbraw/zinc/82/94/33/1067829433.db2.gz DUZPZKKMSIDFRY-UIOOFZCWSA-N 1 1 450.623 4.512 20 0 JJADMO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CNc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC001461330062 1067830437 /nfs/dbraw/zinc/83/04/37/1067830437.db2.gz DSZGFUKFMFPCLR-OAQYLSRUSA-N 1 1 458.393 4.549 20 0 JJADMO O=C(CCCc1cc(Cl)sc1Cl)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001461337079 1067832526 /nfs/dbraw/zinc/83/25/26/1067832526.db2.gz YURMGNBNAFXUSZ-RBUKOAKNSA-N 1 1 453.435 4.880 20 0 JJADMO CO[C@@H](c1ccc(Br)cc1)[C@H](C)[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC001461381005 1067842794 /nfs/dbraw/zinc/84/27/94/1067842794.db2.gz GWKMODSHYIXERF-HXPMCKFVSA-N 1 1 453.743 4.688 20 0 JJADMO CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC001461380997 1067842922 /nfs/dbraw/zinc/84/29/22/1067842922.db2.gz GWKMODSHYIXERF-BUXKBTBVSA-N 1 1 453.743 4.688 20 0 JJADMO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC001461408872 1067848618 /nfs/dbraw/zinc/84/86/18/1067848618.db2.gz PTJYURYBVTVXBD-IBGZPJMESA-N 1 1 454.290 4.785 20 0 JJADMO CCOc1cc(CNc2ccc3c(c2)[nH+]c(C(C)(C)C)n3C)ccc1O[C@H](C)C(=O)N(C)C ZINC001461413698 1067849990 /nfs/dbraw/zinc/84/99/90/1067849990.db2.gz XCEGEYMRTJDVSU-QGZVFWFLSA-N 1 1 452.599 4.737 20 0 JJADMO Cn1nc(Br)cc1C[NH2+][C@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC001461414228 1067850214 /nfs/dbraw/zinc/85/02/14/1067850214.db2.gz ZLAXVDDUUMRSKJ-LJQANCHMSA-N 1 1 459.388 4.691 20 0 JJADMO Cc1nn(C(C)(C)C)c2nc(Cl)c(CNc3cccc4c3CC[N@@H+](CC(C)(C)O)C4)cc12 ZINC001461426540 1067853617 /nfs/dbraw/zinc/85/36/17/1067853617.db2.gz SDBIDBQRLXDQKR-UHFFFAOYSA-N 1 1 456.034 4.889 20 0 JJADMO C[N@@H+](CCO)Cc1cc(NCc2c[nH]nc2-c2ccc(Br)s2)ccc1Cl ZINC001461460183 1067862355 /nfs/dbraw/zinc/86/23/55/1067862355.db2.gz PEHJACFMWMAYNH-UHFFFAOYSA-N 1 1 455.809 4.590 20 0 JJADMO CC[N@@H+](CCC1CCN(C(=O)c2cnnn2-c2cccc(Cl)c2Cl)CC1)CC(C)C ZINC001546124659 1067865267 /nfs/dbraw/zinc/86/52/67/1067865267.db2.gz DSVJMYTVACJMPS-UHFFFAOYSA-N 1 1 452.430 4.794 20 0 JJADMO Cc1nn(-c2ccccc2Cl)cc1C[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC001461488183 1067873534 /nfs/dbraw/zinc/87/35/34/1067873534.db2.gz PRNQTZMNZKAESE-UHFFFAOYSA-N 1 1 457.905 4.546 20 0 JJADMO COc1cc(OC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)ccc1Br ZINC001461504547 1067878318 /nfs/dbraw/zinc/87/83/18/1067878318.db2.gz NQAFNKXEWOSCLC-QZTJIDSGSA-N 1 1 473.392 4.735 20 0 JJADMO CC(=O)Nc1ccc(CN2CCC([NH2+]Cc3c(C)nn(-c4ccccc4)c3Cl)CC2)cc1 ZINC001461519122 1067880375 /nfs/dbraw/zinc/88/03/75/1067880375.db2.gz CJGMASAZWPYHDN-UHFFFAOYSA-N 1 1 452.002 4.547 20 0 JJADMO CC(=O)Nc1ccc(CN2CCC([NH2+]Cc3cccc(Cl)c3Br)CC2)cc1 ZINC001461521215 1067880548 /nfs/dbraw/zinc/88/05/48/1067880548.db2.gz MPNWONNUQHWVRP-UHFFFAOYSA-N 1 1 450.808 4.815 20 0 JJADMO CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC001546125094 1067883166 /nfs/dbraw/zinc/88/31/66/1067883166.db2.gz VCNNESXRZBYBBK-BKMJKUGQSA-N 1 1 455.687 4.593 20 0 JJADMO O[C@H](C[NH2+]Cc1c(Br)cncc1Br)c1c(Cl)cccc1Cl ZINC001461541279 1067884745 /nfs/dbraw/zinc/88/47/45/1067884745.db2.gz RHRGTWHUDFLBBD-CYBMUJFWSA-N 1 1 454.977 4.737 20 0 JJADMO O[C@@H](C[NH2+]Cc1c(Br)cncc1Br)c1c(Cl)cccc1Cl ZINC001461541282 1067884865 /nfs/dbraw/zinc/88/48/65/1067884865.db2.gz RHRGTWHUDFLBBD-ZDUSSCGKSA-N 1 1 454.977 4.737 20 0 JJADMO CC[C@@H]([NH2+]Cc1cc(Br)sc1Br)C(=O)NCc1cccs1 ZINC001461611053 1067901173 /nfs/dbraw/zinc/90/11/73/1067901173.db2.gz YPSLAXSFDPLRLR-LLVKDONJSA-N 1 1 452.237 4.519 20 0 JJADMO C[NH+]1CCN(CCCOc2ccc(NCc3oc4ccccc4c3Br)cc2)CC1 ZINC001461623576 1067903570 /nfs/dbraw/zinc/90/35/70/1067903570.db2.gz OJTHUOIMYNXDII-UHFFFAOYSA-N 1 1 458.400 4.824 20 0 JJADMO COc1ccc(OCc2nc(C[NH2+][C@H]3CCN(C(=O)OC(C)(C)C)C34CCC4)cs2)cc1 ZINC001461629600 1067905703 /nfs/dbraw/zinc/90/57/03/1067905703.db2.gz PNKBQPOYBXUXEZ-FQEVSTJZSA-N 1 1 459.612 4.752 20 0 JJADMO O=S(=O)(c1ccccc1)[C@H]1C[C@H]([NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC001461695642 1067920396 /nfs/dbraw/zinc/92/03/96/1067920396.db2.gz ASHAORXIZRTRQI-RUCARUNLSA-N 1 1 452.523 4.923 20 0 JJADMO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC001461844544 1067945255 /nfs/dbraw/zinc/94/52/55/1067945255.db2.gz JYPFRFYOMVVGLP-GCJKJVERSA-N 1 1 459.428 4.950 20 0 JJADMO O=C(CCc1cccc(F)c1Br)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001461852813 1067947452 /nfs/dbraw/zinc/94/74/52/1067947452.db2.gz CNGSPSFKLPCTMB-HXUWFJFHSA-N 1 1 459.403 4.939 20 0 JJADMO C[C@H](Oc1ccccc1Br)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001461852971 1067947487 /nfs/dbraw/zinc/94/74/87/1067947487.db2.gz CSRMSFJORGOGDE-ICSRJNTNSA-N 1 1 457.412 4.635 20 0 JJADMO O=C(CCc1cccc(F)c1Br)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001461852796 1067947518 /nfs/dbraw/zinc/94/75/18/1067947518.db2.gz CNGSPSFKLPCTMB-FQEVSTJZSA-N 1 1 459.403 4.939 20 0 JJADMO COc1cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)CC23CCCCC3)ccc1OC(=O)C1CC1 ZINC001461853743 1067947764 /nfs/dbraw/zinc/94/77/64/1067947764.db2.gz SAXDDZJKAYIIJW-UHFFFAOYSA-N 1 1 458.599 4.766 20 0 JJADMO COc1cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)CC23CCCCC3)ccc1OC(=O)C1CC1 ZINC001461853743 1067947768 /nfs/dbraw/zinc/94/77/68/1067947768.db2.gz SAXDDZJKAYIIJW-UHFFFAOYSA-N 1 1 458.599 4.766 20 0 JJADMO CC(=O)Nc1ccc(S[C@H](C)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC001461856380 1067948508 /nfs/dbraw/zinc/94/85/08/1067948508.db2.gz OAYVHXFNACFGHJ-KNQAVFIVSA-N 1 1 451.636 4.544 20 0 JJADMO COC(=O)c1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1Br ZINC001461862056 1067949124 /nfs/dbraw/zinc/94/91/24/1067949124.db2.gz MYBXGDWYZADHOC-NFBKMPQASA-N 1 1 457.412 4.722 20 0 JJADMO Brc1cc(Br)cc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC001461864782 1067950050 /nfs/dbraw/zinc/95/00/50/1067950050.db2.gz HZZPXJOFXLROMT-AWEZNQCLSA-N 1 1 450.178 4.634 20 0 JJADMO Brc1cc(Br)cc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC001461864782 1067950059 /nfs/dbraw/zinc/95/00/59/1067950059.db2.gz HZZPXJOFXLROMT-AWEZNQCLSA-N 1 1 450.178 4.634 20 0 JJADMO Cc1c(C[N@@H+]2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)sc2c1cccc2Cl ZINC001461891831 1067955852 /nfs/dbraw/zinc/95/58/52/1067955852.db2.gz HVXLNXUHPCAHFU-MRXNPFEDSA-N 1 1 453.004 4.945 20 0 JJADMO Cc1c(C[N@H+]2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)sc2c1cccc2Cl ZINC001461891831 1067955864 /nfs/dbraw/zinc/95/58/64/1067955864.db2.gz HVXLNXUHPCAHFU-MRXNPFEDSA-N 1 1 453.004 4.945 20 0 JJADMO COc1cccc(C(=O)N2CC[NH+](Cc3ccc(-c4ccc(Cl)cc4)cc3)CC2)c1OC ZINC001461898802 1067957037 /nfs/dbraw/zinc/95/70/37/1067957037.db2.gz LMNPKEAUHXAOGG-UHFFFAOYSA-N 1 1 450.966 4.982 20 0 JJADMO CCC[N@@H+](Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCc2ccccc2C1 ZINC001461910139 1067959691 /nfs/dbraw/zinc/95/96/91/1067959691.db2.gz FNALFKTUYYIKBG-XZOQPEGZSA-N 1 1 453.631 4.620 20 0 JJADMO COC(=O)[C@@H](C)Oc1ccccc1C[N@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001461929613 1067962790 /nfs/dbraw/zinc/96/27/90/1067962790.db2.gz XJSGCKGZICPSBR-WOJBJXKFSA-N 1 1 455.599 4.902 20 0 JJADMO COC(=O)[C@H](C)Oc1ccccc1C[N@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001461929607 1067962918 /nfs/dbraw/zinc/96/29/18/1067962918.db2.gz XJSGCKGZICPSBR-PMACEKPBSA-N 1 1 455.599 4.902 20 0 JJADMO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+](C)Cc2cccc(Cl)c2Cl)cnn1C ZINC001461930765 1067963242 /nfs/dbraw/zinc/96/32/42/1067963242.db2.gz YCGZUHVGNXHADQ-MRXNPFEDSA-N 1 1 455.430 4.851 20 0 JJADMO CCC[N@@H+](C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001461958854 1067969346 /nfs/dbraw/zinc/96/93/46/1067969346.db2.gz MWQBAKVEZZGZII-LJQANCHMSA-N 1 1 453.574 4.552 20 0 JJADMO CCOc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc(Br)c1O ZINC001461962019 1067969701 /nfs/dbraw/zinc/96/97/01/1067969701.db2.gz OUMGLCKGYZIIJV-GOEBONIOSA-N 1 1 457.409 4.679 20 0 JJADMO CCOc1cc(C[N@H+]2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc(Br)c1O ZINC001461962019 1067969708 /nfs/dbraw/zinc/96/97/08/1067969708.db2.gz OUMGLCKGYZIIJV-GOEBONIOSA-N 1 1 457.409 4.679 20 0 JJADMO CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+](C)[C@H](C)c1sc(C)nc1C ZINC001461977717 1067973491 /nfs/dbraw/zinc/97/34/91/1067973491.db2.gz VHQGIHXANXFWMI-CQSZACIVSA-N 1 1 455.418 4.966 20 0 JJADMO CCOC(=O)COc1c(Br)cc(C)cc1C[N@@H+](C)[C@H](C)c1sc(C)nc1C ZINC001461977717 1067973496 /nfs/dbraw/zinc/97/34/96/1067973496.db2.gz VHQGIHXANXFWMI-CQSZACIVSA-N 1 1 455.418 4.966 20 0 JJADMO Cc1ccc(C(=O)N[C@@H](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)c2ccccc2)cc1 ZINC001461986816 1067975607 /nfs/dbraw/zinc/97/56/07/1067975607.db2.gz BRKRAQSPVYFXGW-KCWPFWIISA-N 1 1 455.602 4.762 20 0 JJADMO CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001461996324 1067977091 /nfs/dbraw/zinc/97/70/91/1067977091.db2.gz QZRUZOKHUYNMBH-FBBABVLZSA-N 1 1 455.599 4.778 20 0 JJADMO CCOC(=O)N1CCC(C)(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)CC1 ZINC001461997915 1067977656 /nfs/dbraw/zinc/97/76/56/1067977656.db2.gz FFTSIAOWTDYMHT-RUZDIDTESA-N 1 1 452.595 4.910 20 0 JJADMO CCOC(=O)c1[nH]c2ccc(C)cc2c1CN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001462026024 1067984254 /nfs/dbraw/zinc/98/42/54/1067984254.db2.gz WYSPYIDOOFOTRK-UHFFFAOYSA-N 1 1 455.986 4.503 20 0 JJADMO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc(OCc2ccc(F)cc2)c1 ZINC001462037352 1067986029 /nfs/dbraw/zinc/98/60/29/1067986029.db2.gz FOFNSXBFDRQFPY-UHFFFAOYSA-N 1 1 450.510 4.637 20 0 JJADMO CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc(OCc2ccc(F)cc2)c1 ZINC001462037352 1067986036 /nfs/dbraw/zinc/98/60/36/1067986036.db2.gz FOFNSXBFDRQFPY-UHFFFAOYSA-N 1 1 450.510 4.637 20 0 JJADMO C[N@@H+](Cc1ccc(Br)cc1)Cc1ccc(Br)cc1N1CCOCC1 ZINC001462042674 1067987881 /nfs/dbraw/zinc/98/78/81/1067987881.db2.gz ZWDNDRUETNTUTO-UHFFFAOYSA-N 1 1 454.206 4.680 20 0 JJADMO CC(=O)N(c1nc(CN[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cs1)c1ccc(F)cc1F ZINC001462045779 1067988811 /nfs/dbraw/zinc/98/88/11/1067988811.db2.gz FICHXWBQXNDRFA-OPAMFIHVSA-N 1 1 456.562 4.716 20 0 JJADMO CC(C)(C)OC(=O)C1CCN(c2ccc(C[N@@H+](Cc3ccccc3)[C@@H](CO)C3CC3)o2)CC1 ZINC001462050161 1067990555 /nfs/dbraw/zinc/99/05/55/1067990555.db2.gz LODDLQLBTLQKMT-DEOSSOPVSA-N 1 1 454.611 4.611 20 0 JJADMO CC(C)(C)OC(=O)NCC[N@H+](Cc1ccccc1)C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001462055222 1067991938 /nfs/dbraw/zinc/99/19/38/1067991938.db2.gz QPAWWGVZEJZTIA-SFHVURJKSA-N 1 1 457.562 4.562 20 0 JJADMO CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001462110379 1068006549 /nfs/dbraw/zinc/00/65/49/1068006549.db2.gz RQCVMYAVLCCQEX-OYUWMTPXSA-N 1 1 458.602 4.945 20 0 JJADMO Cc1ccc(-n2ncc(C(=O)NC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)c2C(F)(F)F)cc1 ZINC001462115403 1068007305 /nfs/dbraw/zinc/00/73/05/1068007305.db2.gz DMKMNMJMDQQZCL-QUCCMNQESA-N 1 1 456.512 4.697 20 0 JJADMO COc1cc(OC)cc(C2(F)CC[NH+](Cc3cccc(I)c3)CC2)c1 ZINC001462145552 1068014525 /nfs/dbraw/zinc/01/45/25/1068014525.db2.gz IDDDAAPXZINJFF-UHFFFAOYSA-N 1 1 455.311 4.769 20 0 JJADMO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1 ZINC001462178868 1068022752 /nfs/dbraw/zinc/02/27/52/1068022752.db2.gz GAYUELNPAITMEE-VQTJNVASSA-N 1 1 457.590 4.688 20 0 JJADMO C[C@H]1CN(c2ccccc2F)CC[N@H+]1Cc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1 ZINC001462178868 1068022767 /nfs/dbraw/zinc/02/27/67/1068022767.db2.gz GAYUELNPAITMEE-VQTJNVASSA-N 1 1 457.590 4.688 20 0 JJADMO Cc1nc(CCC(=O)N2CC[N@@H+](C)Cc3ccccc32)oc1-c1ccc(Br)cc1 ZINC001462208675 1068029203 /nfs/dbraw/zinc/02/92/03/1068029203.db2.gz KVIQZTUZGWUSCS-UHFFFAOYSA-N 1 1 454.368 4.824 20 0 JJADMO Cc1nc(CCC(=O)N2CC[N@H+](C)Cc3ccccc32)oc1-c1ccc(Br)cc1 ZINC001462208675 1068029217 /nfs/dbraw/zinc/02/92/17/1068029217.db2.gz KVIQZTUZGWUSCS-UHFFFAOYSA-N 1 1 454.368 4.824 20 0 JJADMO COC(=O)c1ccccc1-c1ccc(C[N@H+]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)o1 ZINC001462233013 1068034274 /nfs/dbraw/zinc/03/42/74/1068034274.db2.gz RNENBBXXLMAKHL-UHFFFAOYSA-N 1 1 454.567 4.956 20 0 JJADMO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2c2ccc(Cl)cc2)C1 ZINC001462233605 1068035075 /nfs/dbraw/zinc/03/50/75/1068035075.db2.gz DJXJZGZRPARTMY-RXVVDRJESA-N 1 1 450.023 4.630 20 0 JJADMO COc1c(NC2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc(Cl)cc1C(=O)N(C)C ZINC001462239995 1068035661 /nfs/dbraw/zinc/03/56/61/1068035661.db2.gz OCIDAUMHSWJMPU-UHFFFAOYSA-N 1 1 454.373 4.919 20 0 JJADMO C[C@H]1C[C@@H](NCc2c(Br)cncc2Br)C[N@@H+](Cc2ccccc2)C1 ZINC001462255826 1068039052 /nfs/dbraw/zinc/03/90/52/1068039052.db2.gz AMQKFOHJFLZNBV-GOEBONIOSA-N 1 1 453.222 4.607 20 0 JJADMO C[C@H]1C[C@@H]([NH2+]Cc2c(Br)cncc2Br)CN(Cc2ccccc2)C1 ZINC001462255826 1068039067 /nfs/dbraw/zinc/03/90/67/1068039067.db2.gz AMQKFOHJFLZNBV-GOEBONIOSA-N 1 1 453.222 4.607 20 0 JJADMO Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)/C=C\c2cc(C(F)(F)F)ccc2Cl)C1 ZINC001462256656 1068039487 /nfs/dbraw/zinc/03/94/87/1068039487.db2.gz CYLPCJKNEBWDPG-NSDNCLLMSA-N 1 1 452.904 4.698 20 0 JJADMO Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)/C=C\c2cc(C(F)(F)F)ccc2Cl)C1 ZINC001462256656 1068039499 /nfs/dbraw/zinc/03/94/99/1068039499.db2.gz CYLPCJKNEBWDPG-NSDNCLLMSA-N 1 1 452.904 4.698 20 0 JJADMO COC(=O)[C@H](C)Oc1ccc(C[N@H+]2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)cc1 ZINC001462280777 1068043325 /nfs/dbraw/zinc/04/33/25/1068043325.db2.gz GULDXVAWNOYZFR-HRAATJIYSA-N 1 1 451.485 4.998 20 0 JJADMO O[C@H](c1ccc(Br)cc1)[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC001462293084 1068045363 /nfs/dbraw/zinc/04/53/63/1068045363.db2.gz HODBWIKSXYUPTB-NZQKXSOJSA-N 1 1 458.375 4.779 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@](C)(C[N@@H+]2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)C1 ZINC001462310101 1068048076 /nfs/dbraw/zinc/04/80/76/1068048076.db2.gz ABFLSCKCMLTZIF-DENIHFKCSA-N 1 1 458.521 4.996 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@](C)(C[N@H+]2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)C1 ZINC001462310101 1068048091 /nfs/dbraw/zinc/04/80/91/1068048091.db2.gz ABFLSCKCMLTZIF-DENIHFKCSA-N 1 1 458.521 4.996 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@](C)(C[N@@H+]2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)C1 ZINC001462310115 1068048289 /nfs/dbraw/zinc/04/82/89/1068048289.db2.gz ABFLSCKCMLTZIF-UGKGYDQZSA-N 1 1 458.521 4.996 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@](C)(C[N@H+]2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)C1 ZINC001462310115 1068048302 /nfs/dbraw/zinc/04/83/02/1068048302.db2.gz ABFLSCKCMLTZIF-UGKGYDQZSA-N 1 1 458.521 4.996 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@](C)(C[N@@H+]2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)C1 ZINC001462310105 1068048367 /nfs/dbraw/zinc/04/83/67/1068048367.db2.gz ABFLSCKCMLTZIF-KNQAVFIVSA-N 1 1 458.521 4.996 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@](C)(C[N@H+]2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)C1 ZINC001462310105 1068048377 /nfs/dbraw/zinc/04/83/77/1068048377.db2.gz ABFLSCKCMLTZIF-KNQAVFIVSA-N 1 1 458.521 4.996 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@](C)(C[N@@H+]2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)C1 ZINC001462310110 1068048399 /nfs/dbraw/zinc/04/83/99/1068048399.db2.gz ABFLSCKCMLTZIF-SIKLNZKXSA-N 1 1 458.521 4.996 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@](C)(C[N@H+]2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)C1 ZINC001462310110 1068048416 /nfs/dbraw/zinc/04/84/16/1068048416.db2.gz ABFLSCKCMLTZIF-SIKLNZKXSA-N 1 1 458.521 4.996 20 0 JJADMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC001462337834 1068054127 /nfs/dbraw/zinc/05/41/27/1068054127.db2.gz WWENPQGORJDCNQ-KRWDZBQOSA-N 1 1 455.401 4.907 20 0 JJADMO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(N(C)C)n(-c2ccc(Br)cc2)c1Cl ZINC001462340852 1068054609 /nfs/dbraw/zinc/05/46/09/1068054609.db2.gz RVULUAKMWFUPCD-SJLPKXTDSA-N 1 1 455.828 4.792 20 0 JJADMO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]2CCC[C@@]2(C)Cc2ccc(F)cc2)cnn1C ZINC001462353129 1068057610 /nfs/dbraw/zinc/05/76/10/1068057610.db2.gz CRTVJXITXOWSMC-RLWLMLJZSA-N 1 1 458.622 4.648 20 0 JJADMO COCc1c(C)cc(C)c(C[N@@H+]2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)OC)C2)c1C ZINC001462359275 1068059166 /nfs/dbraw/zinc/05/91/66/1068059166.db2.gz BCVRRKNOAAOTRW-FCHUYYIVSA-N 1 1 460.412 4.909 20 0 JJADMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C)cc2-c2cnn(C)c2)C[C@H]1c1ccc(Br)cc1 ZINC001462361263 1068059847 /nfs/dbraw/zinc/05/98/47/1068059847.db2.gz MZDKDJAFFCKCAP-XZOQPEGZSA-N 1 1 468.395 4.547 20 0 JJADMO Cc1c(Br)cc(C[N@@H+](C)CCCNC(=O)OC(C)(C)C)cc1Br ZINC001462429322 1068072726 /nfs/dbraw/zinc/07/27/26/1068072726.db2.gz WJRWQXJGHOVPIS-UHFFFAOYSA-N 1 1 450.215 4.867 20 0 JJADMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)C2)O1 ZINC001462439689 1068074634 /nfs/dbraw/zinc/07/46/34/1068074634.db2.gz JETTWMXSTVQGAX-AOMKIAJQSA-N 1 1 452.904 4.864 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)C2)O1 ZINC001462439689 1068074647 /nfs/dbraw/zinc/07/46/47/1068074647.db2.gz JETTWMXSTVQGAX-AOMKIAJQSA-N 1 1 452.904 4.864 20 0 JJADMO COc1cc(C[NH+]2CCC(Cc3nc(C4(OC)CCCC4)no3)CC2)cc(C(F)(F)F)c1 ZINC001462446826 1068076106 /nfs/dbraw/zinc/07/61/06/1068076106.db2.gz ROXHUVOKVQRJCU-UHFFFAOYSA-N 1 1 453.505 4.967 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(C(=O)/C=C\c3ccsc3C(F)(F)F)C2)O1 ZINC001462445686 1068076382 /nfs/dbraw/zinc/07/63/82/1068076382.db2.gz QEONOPQVYJCMEN-WPVDLGPGSA-N 1 1 450.526 4.672 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(C(=O)/C=C\c3ccsc3C(F)(F)F)C2)O1 ZINC001462445686 1068076395 /nfs/dbraw/zinc/07/63/95/1068076395.db2.gz QEONOPQVYJCMEN-WPVDLGPGSA-N 1 1 450.526 4.672 20 0 JJADMO CC[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H](c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)n[nH]3)C2)C1 ZINC001462451894 1068077554 /nfs/dbraw/zinc/07/75/54/1068077554.db2.gz LCCOHJADXOGJTR-FSSWDIPSSA-N 1 1 459.679 4.863 20 0 JJADMO Cc1ccc(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)cc1NC(=O)OC(C)(C)C ZINC001462461230 1068079608 /nfs/dbraw/zinc/07/96/08/1068079608.db2.gz FVFJUTKPOHMDSR-JOCHJYFZSA-N 1 1 450.583 4.879 20 0 JJADMO COc1ccc([C@@H]2CC[N@H+](Cc3cc(Br)cc(Br)c3N)C2)cc1F ZINC001462480654 1068082477 /nfs/dbraw/zinc/08/24/77/1068082477.db2.gz OEWSPGALPWQQJW-GFCCVEGCSA-N 1 1 458.169 4.931 20 0 JJADMO COc1ccc([C@@H]2CC[N@@H+](Cc3cc(Br)cc(Br)c3N)C2)cc1F ZINC001462480654 1068082487 /nfs/dbraw/zinc/08/24/87/1068082487.db2.gz OEWSPGALPWQQJW-GFCCVEGCSA-N 1 1 458.169 4.931 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3OCC(F)F)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001462519953 1068090617 /nfs/dbraw/zinc/09/06/17/1068090617.db2.gz QFTKYHXWVLSPME-LEWJYISDSA-N 1 1 462.537 4.832 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(Cc3sccc3NC(=O)OC(C)(C)C)C2)O1 ZINC001462538683 1068093857 /nfs/dbraw/zinc/09/38/57/1068093857.db2.gz ZBLIVUITMOUREA-DFBJGRDBSA-N 1 1 457.640 4.961 20 0 JJADMO C[C@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@H+](Cc3sccc3NC(=O)OC(C)(C)C)C2)O1 ZINC001462538683 1068093871 /nfs/dbraw/zinc/09/38/71/1068093871.db2.gz ZBLIVUITMOUREA-DFBJGRDBSA-N 1 1 457.640 4.961 20 0 JJADMO C[C@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@@H+](Cc3sccc3NC(=O)OC(C)(C)C)C2)O1 ZINC001462538683 1068093888 /nfs/dbraw/zinc/09/38/88/1068093888.db2.gz ZBLIVUITMOUREA-DFBJGRDBSA-N 1 1 457.640 4.961 20 0 JJADMO COc1ccc(C2=NO[C@H](C[NH2+]Cc3cc4c(C)nn(C(C)(C)C)c4nc3Cl)C2)cc1C ZINC001462550134 1068096538 /nfs/dbraw/zinc/09/65/38/1068096538.db2.gz UXVPXEFDGLWBNA-SFHVURJKSA-N 1 1 455.990 4.748 20 0 JJADMO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCCCCN1CCN(C(=O)OC(C)(C)C)CC1)CC3 ZINC001462565610 1068099607 /nfs/dbraw/zinc/09/96/07/1068099607.db2.gz NAMTWNBCRPTMAX-NRFANRHFSA-N 1 1 454.659 4.646 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001462575387 1068101950 /nfs/dbraw/zinc/10/19/50/1068101950.db2.gz BNZFVTOPSATDGW-HUUCEWRRSA-N 1 1 454.402 4.557 20 0 JJADMO CCOc1cc(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)cc(Cl)c1O ZINC001462579517 1068103174 /nfs/dbraw/zinc/10/31/74/1068103174.db2.gz VUZGPONEJIERBY-KGLIPLIRSA-N 1 1 452.901 4.579 20 0 JJADMO CCOc1cc(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)cc(Cl)c1O ZINC001462579517 1068103176 /nfs/dbraw/zinc/10/31/76/1068103176.db2.gz VUZGPONEJIERBY-KGLIPLIRSA-N 1 1 452.901 4.579 20 0 JJADMO CCn1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)c(-c2ccccc2)n1 ZINC001462588531 1068105285 /nfs/dbraw/zinc/10/52/85/1068105285.db2.gz JGGDSBCLDIFLCX-MOPGFXCFSA-N 1 1 452.521 4.848 20 0 JJADMO CCn1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)c(-c2ccccc2)n1 ZINC001462588531 1068105297 /nfs/dbraw/zinc/10/52/97/1068105297.db2.gz JGGDSBCLDIFLCX-MOPGFXCFSA-N 1 1 452.521 4.848 20 0 JJADMO CCn1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)c(-c2ccccc2)n1 ZINC001462588574 1068105804 /nfs/dbraw/zinc/10/58/04/1068105804.db2.gz JGGDSBCLDIFLCX-RTBURBONSA-N 1 1 452.521 4.848 20 0 JJADMO CCn1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)c(-c2ccccc2)n1 ZINC001462588574 1068105808 /nfs/dbraw/zinc/10/58/08/1068105808.db2.gz JGGDSBCLDIFLCX-RTBURBONSA-N 1 1 452.521 4.848 20 0 JJADMO Cn1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)c(-c2ccc(F)cc2)n1 ZINC001462592318 1068106989 /nfs/dbraw/zinc/10/69/89/1068106989.db2.gz OGFHDJGTGPPRKJ-QZTJIDSGSA-N 1 1 456.484 4.504 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)c(-c2ccc(F)cc2)n1 ZINC001462592318 1068106996 /nfs/dbraw/zinc/10/69/96/1068106996.db2.gz OGFHDJGTGPPRKJ-QZTJIDSGSA-N 1 1 456.484 4.504 20 0 JJADMO C[C@@H]1C[C@H](C[N@H+]2CC[C@]3(C2)CCCCN3C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC001462601856 1068109608 /nfs/dbraw/zinc/10/96/08/1068109608.db2.gz FYVBCRWFKVDGQM-FHAGJXEFSA-N 1 1 451.652 4.888 20 0 JJADMO CN1CCN(Cc2ccccc2Oc2ccc(Cl)cc2Br)CC[N@@H+](C)CC1 ZINC001462615235 1068113101 /nfs/dbraw/zinc/11/31/01/1068113101.db2.gz YWADWVKWLPKFIG-UHFFFAOYSA-N 1 1 452.824 4.574 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2cc(COc3ccccc3F)on2)CCCCC1 ZINC001462623415 1068114861 /nfs/dbraw/zinc/11/48/61/1068114861.db2.gz IINXXECPIUMKFF-UHFFFAOYSA-N 1 1 451.542 4.957 20 0 JJADMO C[C@H]1C[NH+](Cc2ccc(C(=O)NCC3(c4ccc(Br)cc4)CC3)cc2)C[C@H](C)O1 ZINC001462634284 1068119629 /nfs/dbraw/zinc/11/96/29/1068119629.db2.gz LPLFGMHKPGFYPN-ROUUACIJSA-N 1 1 457.412 4.520 20 0 JJADMO Cc1cccc(COc2cccc(C(=O)NCC3([N@@H+](C)Cc4ccccc4)CCOCC3)c2)c1 ZINC001462646020 1068122814 /nfs/dbraw/zinc/12/28/14/1068122814.db2.gz NOEKQPNEIAVTKX-UHFFFAOYSA-N 1 1 458.602 4.985 20 0 JJADMO Cc1cccc(C2=CC[N@H+](Cc3cnnn3[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1C ZINC001462657162 1068125818 /nfs/dbraw/zinc/12/58/18/1068125818.db2.gz HOBRBQIGNRMIMC-QFIPXVFZSA-N 1 1 451.615 4.756 20 0 JJADMO Cc1cccc(C2=CC[N@@H+](Cc3cnnn3[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1C ZINC001462657162 1068125826 /nfs/dbraw/zinc/12/58/26/1068125826.db2.gz HOBRBQIGNRMIMC-QFIPXVFZSA-N 1 1 451.615 4.756 20 0 JJADMO CC(C)(C)OC(=O)Nc1cccc2c1C[N@H+](C[C@H](CC(F)F)NC(=O)OC(C)(C)C)CC2 ZINC001462682884 1068130507 /nfs/dbraw/zinc/13/05/07/1068130507.db2.gz JBUIOBVHNHZQEQ-INIZCTEOSA-N 1 1 455.546 4.940 20 0 JJADMO CC(C)(C)OC(=O)Nc1cccc2c1C[N@@H+](C[C@H](CC(F)F)NC(=O)OC(C)(C)C)CC2 ZINC001462682884 1068130509 /nfs/dbraw/zinc/13/05/09/1068130509.db2.gz JBUIOBVHNHZQEQ-INIZCTEOSA-N 1 1 455.546 4.940 20 0 JJADMO COc1cc(C[NH+]2CCC3(CC2)CN(C(=O)OC(C)(C)C)Cc2ccccc2O3)ccc1F ZINC001462684498 1068131252 /nfs/dbraw/zinc/13/12/52/1068131252.db2.gz FMIFWGJVPNJGED-UHFFFAOYSA-N 1 1 456.558 4.999 20 0 JJADMO O=C(NCC[C@@H]1CC[C@H](C(F)(F)F)O1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001462691367 1068132894 /nfs/dbraw/zinc/13/28/94/1068132894.db2.gz UMKDXAUOTZCGNC-QEUVDIPISA-N 1 1 452.542 4.580 20 0 JJADMO CN(Cc1ccccc1)S(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001462703919 1068136573 /nfs/dbraw/zinc/13/65/73/1068136573.db2.gz NRYKERFTTKTYAR-LOSJGSFVSA-N 1 1 455.023 4.770 20 0 JJADMO Cc1ccc(C2(C(=O)N[C@H]3CCC[N@H+]4CCSC[C@@H]34)CCCCC2)c(Br)c1 ZINC001462749605 1068154314 /nfs/dbraw/zinc/15/43/14/1068154314.db2.gz QFWDDFFPAKRQJD-PMACEKPBSA-N 1 1 451.474 4.655 20 0 JJADMO Cc1nc(CCC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)oc1-c1ccccc1 ZINC001462770345 1068162470 /nfs/dbraw/zinc/16/24/70/1068162470.db2.gz ORZUBFZDSAYLFK-NHCUHLMSSA-N 1 1 457.496 4.762 20 0 JJADMO Cc1nc(CCC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)oc1-c1ccccc1 ZINC001462770345 1068162472 /nfs/dbraw/zinc/16/24/72/1068162472.db2.gz ORZUBFZDSAYLFK-NHCUHLMSSA-N 1 1 457.496 4.762 20 0 JJADMO O=C(CCCc1ccc(Br)cc1)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001462770574 1068162541 /nfs/dbraw/zinc/16/25/41/1068162541.db2.gz TWBMORUDWKAAEP-WOJBJXKFSA-N 1 1 469.345 4.951 20 0 JJADMO O=C(CCCc1ccc(Br)cc1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001462770574 1068162545 /nfs/dbraw/zinc/16/25/45/1068162545.db2.gz TWBMORUDWKAAEP-WOJBJXKFSA-N 1 1 469.345 4.951 20 0 JJADMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)c1ccsc1 ZINC001462825616 1068178439 /nfs/dbraw/zinc/17/84/39/1068178439.db2.gz HYYCJGMZOAKNET-QGZVFWFLSA-N 1 1 456.058 4.886 20 0 JJADMO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NCc2cccc(OC(C)C)c2)cc1 ZINC001462862508 1068194276 /nfs/dbraw/zinc/19/42/76/1068194276.db2.gz VKXOIRRTIYMAAE-WUFINQPMSA-N 1 1 478.658 4.870 20 0 JJADMO CN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1)c1ccc(Br)cc1 ZINC001462942348 1068222628 /nfs/dbraw/zinc/22/26/28/1068222628.db2.gz FUFDCAVRFLLFCI-XZOQPEGZSA-N 1 1 450.380 4.723 20 0 JJADMO CCOc1ccc(S(=O)(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c2ccccc12 ZINC001462977088 1068235561 /nfs/dbraw/zinc/23/55/61/1068235561.db2.gz OBZYENTVJWHNRI-UHFFFAOYSA-N 1 1 452.620 4.568 20 0 JJADMO Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N1CC[N@@H+](C)C[C@@H]1CC(C)C ZINC001462996530 1068243213 /nfs/dbraw/zinc/24/32/13/1068243213.db2.gz DUDUYCTWKDQXKC-INIZCTEOSA-N 1 1 451.995 4.904 20 0 JJADMO Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N1CC[N@H+](C)C[C@@H]1CC(C)C ZINC001462996530 1068243224 /nfs/dbraw/zinc/24/32/24/1068243224.db2.gz DUDUYCTWKDQXKC-INIZCTEOSA-N 1 1 451.995 4.904 20 0 JJADMO CC(=O)CCc1ccc(O[C@H](C)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC001463175873 1068310240 /nfs/dbraw/zinc/31/02/40/1068310240.db2.gz NDTNZVUPYDIFPD-LDVROUIZSA-N 1 1 470.613 4.760 20 0 JJADMO CC[N@@H+](CCC1CCN(C(=O)c2cnn(-c3ccccc3)c2Br)CC1)CC1CC1 ZINC001546136927 1068315023 /nfs/dbraw/zinc/31/50/23/1068315023.db2.gz YCJNHJKGGGKIHY-UHFFFAOYSA-N 1 1 459.432 4.609 20 0 JJADMO CC(C)n1cc(Br)c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)n1 ZINC001463190038 1068315215 /nfs/dbraw/zinc/31/52/15/1068315215.db2.gz UMOXONWHZMJWJQ-RBBKRZOGSA-N 1 1 467.411 4.625 20 0 JJADMO Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1Cl ZINC001463224359 1068326744 /nfs/dbraw/zinc/32/67/44/1068326744.db2.gz HKTUOASLZUFVMI-QFIPXVFZSA-N 1 1 453.435 4.979 20 0 JJADMO C[C@H](Cc1ccsc1)N(C)S(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001463242649 1068332653 /nfs/dbraw/zinc/33/26/53/1068332653.db2.gz ZTCCWNFISBKXQA-BTZRARBUSA-N 1 1 472.651 4.748 20 0 JJADMO CC(C)(C)C(=O)c1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001463278347 1068341976 /nfs/dbraw/zinc/34/19/76/1068341976.db2.gz DKGQKMMJAWPFMH-VWNXMTODSA-N 1 1 454.636 4.591 20 0 JJADMO CCCOc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1CC ZINC001463278434 1068342028 /nfs/dbraw/zinc/34/20/28/1068342028.db2.gz GLHNJVHCTLANMD-ILBGXUMGSA-N 1 1 456.652 4.713 20 0 JJADMO CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001463344352 1068364420 /nfs/dbraw/zinc/36/44/20/1068364420.db2.gz UAPWTOONIDRODP-UEQSERJNSA-N 1 1 469.670 4.829 20 0 JJADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@]23CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)c1 ZINC001463372752 1068375827 /nfs/dbraw/zinc/37/58/27/1068375827.db2.gz FOPJJMKBFNEYRG-CUBQBAPOSA-N 1 1 463.622 4.838 20 0 JJADMO COc1cc(C(C)C)c(S(=O)(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1C ZINC001463457152 1068406073 /nfs/dbraw/zinc/40/60/73/1068406073.db2.gz GSVDPUXJERJNGY-UHFFFAOYSA-N 1 1 456.652 4.804 20 0 JJADMO CSc1ccc(CNS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(C)cc2)cc1 ZINC001463552018 1068438815 /nfs/dbraw/zinc/43/88/15/1068438815.db2.gz VYXGMDZZQKMESF-IZZNHLLZSA-N 1 1 466.672 4.805 20 0 JJADMO Cc1ncsc1-c1nc2ccccc2n1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001463560222 1068443573 /nfs/dbraw/zinc/44/35/73/1068443573.db2.gz JYKGUGUMYYUFJJ-FQEVSTJZSA-N 1 1 453.999 4.541 20 0 JJADMO CCn1ncc2c1nc(-c1cccs1)cc2C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001463562447 1068444315 /nfs/dbraw/zinc/44/43/15/1068444315.db2.gz SBLFHMGRFWTLDQ-FQEVSTJZSA-N 1 1 453.999 4.866 20 0 JJADMO Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H](c3ccc(Cl)cc3)[NH+](C)C)cc2)cc1 ZINC001463633957 1068476954 /nfs/dbraw/zinc/47/69/54/1068476954.db2.gz NGKLASOLSKDGKP-QFIPXVFZSA-N 1 1 457.983 4.691 20 0 JJADMO CCCCOc1ccc(S(=O)(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1C(C)C ZINC001463638898 1068478448 /nfs/dbraw/zinc/47/84/48/1068478448.db2.gz ZYASSGNBIXLDEO-ZRZAMGCNSA-N 1 1 456.652 4.741 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001463662317 1068487011 /nfs/dbraw/zinc/48/70/11/1068487011.db2.gz DBJKNILIDPYSGR-QHCPKHFHSA-N 1 1 451.611 4.623 20 0 JJADMO CC[N@@H+]1CCc2nc(NC(=O)[C@H](CNC(=O)OC(C)(C)C)C3CCCCCC3)sc2C1 ZINC001463750601 1068512429 /nfs/dbraw/zinc/51/24/29/1068512429.db2.gz OYGKASPEYDFFHY-QGZVFWFLSA-N 1 1 450.649 4.571 20 0 JJADMO CC[N@H+]1CCc2nc(NC(=O)[C@H](CNC(=O)OC(C)(C)C)C3CCCCCC3)sc2C1 ZINC001463750601 1068512440 /nfs/dbraw/zinc/51/24/40/1068512440.db2.gz OYGKASPEYDFFHY-QGZVFWFLSA-N 1 1 450.649 4.571 20 0 JJADMO COc1cccc([C@@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)N(C)C)c1 ZINC001463771837 1068519971 /nfs/dbraw/zinc/51/99/71/1068519971.db2.gz VSNBXCIVSCPQLD-ZGIBFIJWSA-N 1 1 471.645 4.638 20 0 JJADMO COc1cccc([C@@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)N(C)C)c1 ZINC001463771837 1068519983 /nfs/dbraw/zinc/51/99/83/1068519983.db2.gz VSNBXCIVSCPQLD-ZGIBFIJWSA-N 1 1 471.645 4.638 20 0 JJADMO CC(C)Cc1ccc([C@H](CNS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)[NH+](C)C)cc1 ZINC001463819423 1068535284 /nfs/dbraw/zinc/53/52/84/1068535284.db2.gz BUESKLFLAGRYAI-NRFANRHFSA-N 1 1 458.546 4.506 20 0 JJADMO Cc1ccc(Br)c(S(=O)(=O)NC[C@H](c2ccc(CC(C)C)cc2)[NH+](C)C)c1 ZINC001463823686 1068536338 /nfs/dbraw/zinc/53/63/38/1068536338.db2.gz MSAVPNOUGFPXPJ-HXUWFJFHSA-N 1 1 453.446 4.537 20 0 JJADMO O=C(c1cc(O)cc(Br)c1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001463825246 1068536839 /nfs/dbraw/zinc/53/68/39/1068536839.db2.gz UMMLKWXNOGJCPJ-UHFFFAOYSA-N 1 1 457.290 4.522 20 0 JJADMO CCC(CC)[C@@H](CNC(=O)c1c(C)onc1-c1cccc(Cl)c1Cl)[NH+]1CCOCC1 ZINC001463873449 1068552798 /nfs/dbraw/zinc/55/27/98/1068552798.db2.gz NTMVCBLVVYPFBZ-GOSISDBHSA-N 1 1 454.398 4.824 20 0 JJADMO CC[C@H](CNS(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(C)cc1)CC(F)(F)F ZINC001463894119 1068557632 /nfs/dbraw/zinc/55/76/32/1068557632.db2.gz NBGGDZATVJBXOR-AJSBUHFISA-N 1 1 468.585 4.861 20 0 JJADMO COc1ccc(Oc2ccc(C(=O)N3CCC[N@H+](Cc4ccc(Cl)cc4)CC3)nc2)cc1 ZINC001463898150 1068559235 /nfs/dbraw/zinc/55/92/35/1068559235.db2.gz GIKYBUFKKHWUBI-UHFFFAOYSA-N 1 1 451.954 4.884 20 0 JJADMO COc1ccc(Oc2ccc(C(=O)N3CCC[N@@H+](Cc4ccc(Cl)cc4)CC3)nc2)cc1 ZINC001463898150 1068559244 /nfs/dbraw/zinc/55/92/44/1068559244.db2.gz GIKYBUFKKHWUBI-UHFFFAOYSA-N 1 1 451.954 4.884 20 0 JJADMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(Cl)cc(Br)c3F)CC2)cc1 ZINC001463899227 1068559470 /nfs/dbraw/zinc/55/94/70/1068559470.db2.gz OAROCAUHNNKASX-UHFFFAOYSA-N 1 1 455.755 4.598 20 0 JJADMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cc(Cl)cc(Br)c3F)CC2)cc1 ZINC001463899227 1068559475 /nfs/dbraw/zinc/55/94/75/1068559475.db2.gz OAROCAUHNNKASX-UHFFFAOYSA-N 1 1 455.755 4.598 20 0 JJADMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3sc(-c4ccc(F)c(C)c4)nc3C)CC2)cc1 ZINC001463900452 1068560171 /nfs/dbraw/zinc/56/01/71/1068560171.db2.gz YCPZMDSLLDMAAH-UHFFFAOYSA-N 1 1 453.583 4.923 20 0 JJADMO COc1ccc(C[N@H+]2CCCN(C(=O)c3sc(-c4ccc(F)c(C)c4)nc3C)CC2)cc1 ZINC001463900452 1068560182 /nfs/dbraw/zinc/56/01/82/1068560182.db2.gz YCPZMDSLLDMAAH-UHFFFAOYSA-N 1 1 453.583 4.923 20 0 JJADMO Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC001463911699 1068562413 /nfs/dbraw/zinc/56/24/13/1068562413.db2.gz FMNRLFQJCYOTEB-HSZRJFAPSA-N 1 1 459.565 4.915 20 0 JJADMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCc3c(NC(=O)OC(C)(C)C)cnn3C)cc2)C1 ZINC001464016794 1068590116 /nfs/dbraw/zinc/59/01/16/1068590116.db2.gz FDJXEZADFBGDQB-SFHVURJKSA-N 1 1 455.603 4.570 20 0 JJADMO CC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001464020922 1068591096 /nfs/dbraw/zinc/59/10/96/1068591096.db2.gz YWZYQJDEIVJGKY-MRXNPFEDSA-N 1 1 459.384 4.901 20 0 JJADMO O=C(CCC(=O)c1cccc(F)c1)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC001464073746 1068605691 /nfs/dbraw/zinc/60/56/91/1068605691.db2.gz NEJYPJLENTZPTF-UHFFFAOYSA-N 1 1 459.565 4.745 20 0 JJADMO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)C[C@@H]4C[C@H](C)CC(C)(C)C4)CC3)n2)cc1 ZINC001464077209 1068607862 /nfs/dbraw/zinc/60/78/62/1068607862.db2.gz WAJLQTIGJYKFQH-VXKWHMMOSA-N 1 1 452.643 4.974 20 0 JJADMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1coc(-c2ccc(Br)cc2F)n1 ZINC001464095647 1068613466 /nfs/dbraw/zinc/61/34/66/1068613466.db2.gz MXCNAWIZJXOAFU-QGZVFWFLSA-N 1 1 458.331 4.638 20 0 JJADMO COc1ccccc1Nc1ccc(C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC001464100181 1068615341 /nfs/dbraw/zinc/61/53/41/1068615341.db2.gz UAARRRPSAXCSAQ-AREMUKBSSA-N 1 1 458.606 4.547 20 0 JJADMO COc1ccccc1Nc1ccc(C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC001464100181 1068615348 /nfs/dbraw/zinc/61/53/48/1068615348.db2.gz UAARRRPSAXCSAQ-AREMUKBSSA-N 1 1 458.606 4.547 20 0 JJADMO COc1ccccc1Nc1ccc(C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC001464100181 1068615353 /nfs/dbraw/zinc/61/53/53/1068615353.db2.gz UAARRRPSAXCSAQ-AREMUKBSSA-N 1 1 458.606 4.547 20 0 JJADMO CC[C@H](CNC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)n1)[N@H+]1CCc2ccccc2C1 ZINC001464101829 1068616044 /nfs/dbraw/zinc/61/60/44/1068616044.db2.gz SDSFTTXHABODTE-OAQYLSRUSA-N 1 1 456.512 4.766 20 0 JJADMO CC[C@H](CNC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl)[N@H+]1CCc2ccccc2C1 ZINC001464101665 1068616100 /nfs/dbraw/zinc/61/61/00/1068616100.db2.gz QXROTIUKIWUOJY-HXUWFJFHSA-N 1 1 457.018 4.827 20 0 JJADMO CC[C@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1)[N@H+]1CCc2ccccc2C1 ZINC001464103369 1068616929 /nfs/dbraw/zinc/61/69/29/1068616929.db2.gz YIOOIWWBVOWOGW-RPWUZVMVSA-N 1 1 451.611 4.514 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)CN(Cc3ccccc3)c3ccccc3)cc2)C[C@H](C)O1 ZINC001464125112 1068624327 /nfs/dbraw/zinc/62/43/27/1068624327.db2.gz YSCVWPRPUKHHFR-PSWAGMNNSA-N 1 1 457.618 4.619 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3c(Cl)cccc3Br)cc2)C[C@H](C)O1 ZINC001464124946 1068624382 /nfs/dbraw/zinc/62/43/82/1068624382.db2.gz XHOSZOORKHKYDO-GASCZTMLSA-N 1 1 451.792 4.642 20 0 JJADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)CCCc2cc(Cl)sc2Cl)CC1 ZINC001464127943 1068625542 /nfs/dbraw/zinc/62/55/42/1068625542.db2.gz ZHLMIFCNRGBNDF-UHFFFAOYSA-N 1 1 454.467 4.832 20 0 JJADMO CCN1CC[NH+](Cc2ccc(NC(=O)CCCOc3cccc(Cl)c3Cl)cc2)CC1 ZINC001464129912 1068626566 /nfs/dbraw/zinc/62/65/66/1068626566.db2.gz ICTVARRSYNTAHW-UHFFFAOYSA-N 1 1 450.410 4.929 20 0 JJADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)C1 ZINC001464154051 1068634910 /nfs/dbraw/zinc/63/49/10/1068634910.db2.gz MICMPCKPBOAVFK-SFHVURJKSA-N 1 1 453.583 4.901 20 0 JJADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3=Cc4cc(Br)ccc4OC3)cc2)C1 ZINC001464155467 1068635726 /nfs/dbraw/zinc/63/57/26/1068635726.db2.gz UBNGTPQGOYYAPB-KRWDZBQOSA-N 1 1 455.396 4.773 20 0 JJADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)cc2)C1 ZINC001464154795 1068635802 /nfs/dbraw/zinc/63/58/02/1068635802.db2.gz QDCGYRRSWOLRJF-OFNKIYASSA-N 1 1 455.643 4.572 20 0 JJADMO CCN1CC[NH+](Cc2ccc(CNC(=O)c3cc(C)n([C@@H](C)c4ccccc4)c3C)cc2)CC1 ZINC001464157479 1068636313 /nfs/dbraw/zinc/63/63/13/1068636313.db2.gz HAHVMXPLGQSYGW-QHCPKHFHSA-N 1 1 458.650 4.782 20 0 JJADMO CCN1CC[NH+](Cc2ccc(CNC(=O)c3csc(-c4ccccc4Cl)n3)cc2)CC1 ZINC001464162192 1068638405 /nfs/dbraw/zinc/63/84/05/1068638405.db2.gz VWGBSECBCHOJGP-UHFFFAOYSA-N 1 1 455.027 4.531 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@H]2Cc3cc(Br)ccc3O2)C1 ZINC001464191887 1068650179 /nfs/dbraw/zinc/65/01/79/1068650179.db2.gz FOWCRXWUAZWUGC-SAHWJRBASA-N 1 1 457.412 4.547 20 0 JJADMO COc1ccc(C2(C(=O)NCc3ccccc3C[N@@H+]3C[C@H](C)C[C@H](C)C3)CCC2)cc1OC ZINC001464192079 1068650985 /nfs/dbraw/zinc/65/09/85/1068650985.db2.gz GZGMPAHFTFINOH-OYRHEFFESA-N 1 1 450.623 4.920 20 0 JJADMO CCN(CC)c1ccc(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cn1 ZINC001464197800 1068652812 /nfs/dbraw/zinc/65/28/12/1068652812.db2.gz DTIUURLWOVRWIN-GGXMVOPNSA-N 1 1 456.634 4.634 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC001464200883 1068654156 /nfs/dbraw/zinc/65/41/56/1068654156.db2.gz VWVRLMIIGYALDN-UHFFFAOYSA-N 1 1 459.363 4.544 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cc(Br)cc(Br)c1 ZINC001464200541 1068654170 /nfs/dbraw/zinc/65/41/70/1068654170.db2.gz TYUBGIIADSRKCW-UHFFFAOYSA-N 1 1 454.206 4.982 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2NC(=O)OC(C)(C)C ZINC001464200095 1068654304 /nfs/dbraw/zinc/65/43/04/1068654304.db2.gz OREJHIXYPAYOKV-TUUBTQOTSA-N 1 1 457.659 4.863 20 0 JJADMO CC(C)c1ccc([C@H](CNC(=O)[C@@H](C)N2CCSCC2)[N@@H+]2CCc3sccc3C2)cc1 ZINC001464206519 1068656684 /nfs/dbraw/zinc/65/66/84/1068656684.db2.gz KTMCJCGFTUHXME-XXBNENTESA-N 1 1 457.709 4.524 20 0 JJADMO CC(C)c1ccc([C@H](CNC(=O)[C@@H](C)N2CCSCC2)[N@H+]2CCc3sccc3C2)cc1 ZINC001464206519 1068656689 /nfs/dbraw/zinc/65/66/89/1068656689.db2.gz KTMCJCGFTUHXME-XXBNENTESA-N 1 1 457.709 4.524 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2ccnc(Cl)c2Br)C1 ZINC001464206135 1068656822 /nfs/dbraw/zinc/65/68/22/1068656822.db2.gz VZXPQNAVYGLGCA-GASCZTMLSA-N 1 1 450.808 4.905 20 0 JJADMO C[C@@H]1[C@H](C(=O)NC[C@H](c2ccc(Cl)c(Cl)c2)N2CCc3sccc3C2)CC[N@H+]1C ZINC001464205886 1068656889 /nfs/dbraw/zinc/65/68/89/1068656889.db2.gz JENIMUKCMCHGGH-WIBUTAKZSA-N 1 1 452.451 4.611 20 0 JJADMO CC(C)[C@@H](C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001464211693 1068659338 /nfs/dbraw/zinc/65/93/38/1068659338.db2.gz ODGXKCCWVGUMLI-OOICKAIWSA-N 1 1 459.675 4.966 20 0 JJADMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)c2ccccc2Sc2ccccc2)CC1 ZINC001464227173 1068665868 /nfs/dbraw/zinc/66/58/68/1068665868.db2.gz DVCXNUNMKNPBMK-UHFFFAOYSA-N 1 1 455.624 4.510 20 0 JJADMO Cc1nn(CC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001464230427 1068666347 /nfs/dbraw/zinc/66/63/47/1068666347.db2.gz FYJWYVHPLHAPDY-MRXNPFEDSA-N 1 1 453.553 4.510 20 0 JJADMO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1O ZINC001464230189 1068666533 /nfs/dbraw/zinc/66/65/33/1068666533.db2.gz WASLZUMLHQTAMZ-OAHLLOKOSA-N 1 1 450.004 4.744 20 0 JJADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1O ZINC001464230189 1068666536 /nfs/dbraw/zinc/66/65/36/1068666536.db2.gz WASLZUMLHQTAMZ-OAHLLOKOSA-N 1 1 450.004 4.744 20 0 JJADMO C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001464234111 1068667683 /nfs/dbraw/zinc/66/76/83/1068667683.db2.gz IYUAHWWBLIEUNG-UQBPGWFLSA-N 1 1 451.586 4.981 20 0 JJADMO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001464239224 1068670678 /nfs/dbraw/zinc/67/06/78/1068670678.db2.gz SBCVYHXTYKMSET-DENIHFKCSA-N 1 1 451.586 4.839 20 0 JJADMO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC001464241964 1068672007 /nfs/dbraw/zinc/67/20/07/1068672007.db2.gz UYGVTGYGTNJYCJ-NRFANRHFSA-N 1 1 455.046 4.865 20 0 JJADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC001464241964 1068672011 /nfs/dbraw/zinc/67/20/11/1068672011.db2.gz UYGVTGYGTNJYCJ-NRFANRHFSA-N 1 1 455.046 4.865 20 0 JJADMO COc1ccc(S(=O)(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)c(Cl)c1Cl ZINC001464243203 1068673489 /nfs/dbraw/zinc/67/34/89/1068673489.db2.gz ZZOBJRBVPOTROF-QGZVFWFLSA-N 1 1 457.423 4.725 20 0 JJADMO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(CC(=O)Nc3ccccc3F)Cc3ccc(Cl)cc3)C[N@H+]2C1 ZINC001464280800 1068689283 /nfs/dbraw/zinc/68/92/83/1068689283.db2.gz JPVNFQURWWBGAV-LMNJBCLMSA-N 1 1 457.977 4.567 20 0 JJADMO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(CC(=O)Nc3ccccc3F)Cc3ccc(Cl)cc3)C[N@H+]2C1 ZINC001464280812 1068689346 /nfs/dbraw/zinc/68/93/46/1068689346.db2.gz JPVNFQURWWBGAV-QFUCXCTJSA-N 1 1 457.977 4.567 20 0 JJADMO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001464332687 1068709655 /nfs/dbraw/zinc/70/96/55/1068709655.db2.gz NLDCODQMFVMETE-UHFFFAOYSA-N 1 1 458.430 4.720 20 0 JJADMO Cc1cc(C(F)(F)F)n2nc(C(=O)NCc3ccccc3C[N@H+](C)C3CCCCC3)cc2n1 ZINC001464398854 1068732045 /nfs/dbraw/zinc/73/20/45/1068732045.db2.gz AUBVMRSNKLNGAB-UHFFFAOYSA-N 1 1 459.516 4.751 20 0 JJADMO C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]1CO[C@H](CCC(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC001464399985 1068732473 /nfs/dbraw/zinc/73/24/73/1068732473.db2.gz DRELXMHYJGJPGM-LADGPHEKSA-N 1 1 458.643 4.594 20 0 JJADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3ccc(Oc4ccc(Cl)cc4)cn3)c2)CCO1 ZINC001464426804 1068741657 /nfs/dbraw/zinc/74/16/57/1068741657.db2.gz XLYCCPKDPOPIJY-SFHVURJKSA-N 1 1 451.954 4.678 20 0 JJADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ccc(Oc4ccc(Cl)cc4)cn3)c2)CCO1 ZINC001464426804 1068741663 /nfs/dbraw/zinc/74/16/63/1068741663.db2.gz XLYCCPKDPOPIJY-SFHVURJKSA-N 1 1 451.954 4.678 20 0 JJADMO CCNc1nc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)c(Cl)c2)cs1 ZINC001464454355 1068752633 /nfs/dbraw/zinc/75/26/33/1068752633.db2.gz USMWISOWOYQQFA-UHFFFAOYSA-N 1 1 456.015 4.803 20 0 JJADMO O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)c1ccc(CCC(F)(F)F)cc1 ZINC001464478363 1068760743 /nfs/dbraw/zinc/76/07/43/1068760743.db2.gz PFWPUEOAVRCEGC-UHFFFAOYSA-N 1 1 453.936 4.777 20 0 JJADMO Cc1csc(-c2cccc(C(=O)NCCC[NH+]3CCN(c4ccccc4Cl)CC3)c2)n1 ZINC001464480237 1068761385 /nfs/dbraw/zinc/76/13/85/1068761385.db2.gz YSDGVYABEUVBNN-UHFFFAOYSA-N 1 1 455.027 4.714 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001464490248 1068764713 /nfs/dbraw/zinc/76/47/13/1068764713.db2.gz BAQGUCVPUBBKNQ-HSZRJFAPSA-N 1 1 457.659 4.803 20 0 JJADMO CC(C)(CNC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC001464492745 1068765755 /nfs/dbraw/zinc/76/57/55/1068765755.db2.gz NDFYRGOIQCJBOV-AREMUKBSSA-N 1 1 455.602 4.501 20 0 JJADMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)CC1 ZINC001464539447 1068776249 /nfs/dbraw/zinc/77/62/49/1068776249.db2.gz SKCLEUBFKACPSE-UHFFFAOYSA-N 1 1 456.427 4.515 20 0 JJADMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC001464555003 1068780073 /nfs/dbraw/zinc/78/00/73/1068780073.db2.gz UZEPSDYPNCFLMU-LJQANCHMSA-N 1 1 457.496 4.818 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC001464670517 1068819151 /nfs/dbraw/zinc/81/91/51/1068819151.db2.gz PPRCKWHPVWEOKZ-JQYIIUTOSA-N 1 1 480.628 4.734 20 0 JJADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCC5(C[C@H]5CCO)CC4)c23)C1 ZINC001164390644 718811522 /nfs/dbraw/zinc/81/15/22/718811522.db2.gz BAQOJHOVPKKHAH-RTBURBONSA-N 1 1 454.684 4.791 20 0 JJADMO O=C1Nc2ccccc2[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@@H]12 ZINC001164402679 718858379 /nfs/dbraw/zinc/85/83/79/718858379.db2.gz LAYSQQLZJRMYEG-WOJBJXKFSA-N 1 1 473.646 4.728 20 0 JJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](c4ccccc4)C(=O)N3CCOC)CC2)nc1 ZINC001164430694 718954844 /nfs/dbraw/zinc/95/48/44/718954844.db2.gz WGOKIACMLSLICQ-IZZNHLLZSA-N 1 1 476.665 4.630 20 0 JJADMO Clc1nc2c(ncn2Cc2ccccc2)c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164618499 719068348 /nfs/dbraw/zinc/06/83/48/719068348.db2.gz AXKZUKFFYKBCPN-FGZHOGPDSA-N 1 1 458.997 4.629 20 0 JJADMO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629867 719102553 /nfs/dbraw/zinc/10/25/53/719102553.db2.gz TZAOTUQRXUFJQE-ICSRJNTNSA-N 1 1 455.940 4.838 20 0 JJADMO COc1ccc(-c2csc3nc(-c4cccnc4)nc(N4C[C@@H](C)[N@@H+](C)C[C@@H]4C)c23)cc1OC ZINC001164635978 719237658 /nfs/dbraw/zinc/23/76/58/719237658.db2.gz RODRCUTWVCKEGG-SJORKVTESA-N 1 1 475.618 4.966 20 0 JJADMO COc1ccc(-c2csc3nc(-c4cccnc4)nc(N4C[C@@H](C)[N@@H+](C)C[C@H]4C)c23)cc1OC ZINC001164635973 719238013 /nfs/dbraw/zinc/23/80/13/719238013.db2.gz RODRCUTWVCKEGG-IAGOWNOFSA-N 1 1 475.618 4.966 20 0 JJADMO COc1ccc(-c2nc3ccc(F)cc3c(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)n2)cc1 ZINC001164646677 719309239 /nfs/dbraw/zinc/30/92/39/719309239.db2.gz GKUSDMXKCCTVIC-UHFFFAOYSA-N 1 1 474.584 4.846 20 0 JJADMO COc1ccc(-c2cc(C(F)(F)N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)c(Cl)nn2)cc1 ZINC001164654906 719318054 /nfs/dbraw/zinc/31/80/54/719318054.db2.gz SOWWHILEZLMTNP-UHFFFAOYSA-N 1 1 490.986 4.752 20 0 JJADMO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccccc1 ZINC001164654161 719322992 /nfs/dbraw/zinc/32/29/92/719322992.db2.gz PKFCDTFDAQPZER-VWLOTQADSA-N 1 1 468.022 4.776 20 0 JJADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccccc1 ZINC001164654161 719322993 /nfs/dbraw/zinc/32/29/93/719322993.db2.gz PKFCDTFDAQPZER-VWLOTQADSA-N 1 1 468.022 4.776 20 0 JJADMO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccccc1 ZINC001164654160 719323141 /nfs/dbraw/zinc/32/31/41/719323141.db2.gz PKFCDTFDAQPZER-RUZDIDTESA-N 1 1 468.022 4.776 20 0 JJADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccccc1 ZINC001164654160 719323144 /nfs/dbraw/zinc/32/31/44/719323144.db2.gz PKFCDTFDAQPZER-RUZDIDTESA-N 1 1 468.022 4.776 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCO[C@@H]4[C@@H](OCC5CCCC5)CC[C@@H]43)c2c1C ZINC001164662043 719343806 /nfs/dbraw/zinc/34/38/06/719343806.db2.gz MTGDCSZCXOBHMW-HFMPRLQTSA-N 1 1 470.683 4.847 20 0 JJADMO CCOC(=O)c1sc2ncnc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)c2c1C ZINC001164692956 719803393 /nfs/dbraw/zinc/80/33/93/719803393.db2.gz QUJHEPFYIJIBSV-UHFFFAOYSA-N 1 1 471.652 4.576 20 0 JJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)nc4c2ncn4Cc2ccccc2)CC3)cs1 ZINC001164694522 719806765 /nfs/dbraw/zinc/80/67/65/719806765.db2.gz ZKCQAZIYIJNFJW-UHFFFAOYSA-N 1 1 494.068 4.928 20 0 JJADMO COc1cc2nc(Cl)c(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)nc2cc1OC ZINC001164693810 719809272 /nfs/dbraw/zinc/80/92/72/719809272.db2.gz RKXPSJDXOIPPNL-UHFFFAOYSA-N 1 1 474.030 4.700 20 0 JJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)nc(Oc4ccc(F)cc4)n2)CC3)cs1 ZINC001164694493 719810528 /nfs/dbraw/zinc/81/05/28/719810528.db2.gz YYRGHEJKOIURSR-UHFFFAOYSA-N 1 1 474.993 4.856 20 0 JJADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)c2c1 ZINC001164691298 719812328 /nfs/dbraw/zinc/81/23/28/719812328.db2.gz DYXUSKITUOACFZ-UHFFFAOYSA-N 1 1 486.041 4.860 20 0 JJADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2cc(C4CC4)nnc2Cl)CC3)cs1 ZINC001164691529 719814104 /nfs/dbraw/zinc/81/41/04/719814104.db2.gz GDTLIWWINBCOOZ-UHFFFAOYSA-N 1 1 453.990 4.952 20 0 JJADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2cc(C4CC4)nnc2Cl)CC3)cs1 ZINC001164691529 719814105 /nfs/dbraw/zinc/81/41/05/719814105.db2.gz GDTLIWWINBCOOZ-UHFFFAOYSA-N 1 1 453.990 4.952 20 0 JJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(-c4ccc5c(c4)OCCCO5)nn2)CC3)cs1 ZINC001164693569 719814676 /nfs/dbraw/zinc/81/46/76/719814676.db2.gz WLNPLZRUMNYSEU-UHFFFAOYSA-N 1 1 477.634 4.705 20 0 JJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(C)nc(-c4ccc(Cl)nc4)n2)CC3)cs1 ZINC001164693488 719815763 /nfs/dbraw/zinc/81/57/63/719815763.db2.gz VNUQLTZJTPKKHR-UHFFFAOYSA-N 1 1 455.031 4.900 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC4(C[C@@H](c5cnn(C)c5)CO4)CC3)c2c1C ZINC001164700073 719826206 /nfs/dbraw/zinc/82/62/06/719826206.db2.gz ZZGUOLUKSMLEMJ-HXUWFJFHSA-N 1 1 480.682 4.571 20 0 JJADMO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164694933 719888536 /nfs/dbraw/zinc/88/85/36/719888536.db2.gz HOPHQPUPZZFGGU-UHFFFAOYSA-N 1 1 464.969 4.761 20 0 JJADMO Fc1ccc2nc(C(F)(F)N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nc(Cl)c2c1 ZINC001164695305 719892290 /nfs/dbraw/zinc/89/22/90/719892290.db2.gz MNUFBNAPIMDRPU-UHFFFAOYSA-N 1 1 482.959 4.900 20 0 JJADMO c1csc(C[N@H+]2CCOC3(CCN(c4nc(-c5cccnc5)nc5ccccc54)CC3)C2)c1 ZINC001164697020 719897519 /nfs/dbraw/zinc/89/75/19/719897519.db2.gz IYCDMLXMXHZWRN-UHFFFAOYSA-N 1 1 457.603 4.625 20 0 JJADMO FC(F)(c1cccc2c(Cl)ncnc21)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164705337 719899596 /nfs/dbraw/zinc/89/95/96/719899596.db2.gz ADBKJGFWZNYKQB-UHFFFAOYSA-N 1 1 464.969 4.761 20 0 JJADMO Fc1ccc(COc2cccnc2N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cc1 ZINC001164707490 719899604 /nfs/dbraw/zinc/89/96/04/719899604.db2.gz RLCJXLWDGCWKHV-UHFFFAOYSA-N 1 1 453.583 4.733 20 0 JJADMO Fc1ccc(-c2ccc(Cl)nn2)c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164707525 719899710 /nfs/dbraw/zinc/89/97/10/719899710.db2.gz SQYDSHOAIQXEMX-UHFFFAOYSA-N 1 1 458.990 4.869 20 0 JJADMO Fc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164706250 719905940 /nfs/dbraw/zinc/90/59/40/719905940.db2.gz GKCHNVKOSLAKMX-UHFFFAOYSA-N 1 1 474.989 4.994 20 0 JJADMO COc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cc1 ZINC001164705851 719907359 /nfs/dbraw/zinc/90/73/59/719907359.db2.gz DGRUPZGIJHHBIV-UHFFFAOYSA-N 1 1 487.025 4.864 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)c(Cl)c1)CC2 ZINC001164712641 720097128 /nfs/dbraw/zinc/09/71/28/720097128.db2.gz XMDSMGYBUCXBPW-GOSISDBHSA-N 1 1 471.379 4.836 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cnc(-c3ccccc3)c(-c3ccccc3)n1)C2 ZINC001164811144 720110231 /nfs/dbraw/zinc/11/02/31/720110231.db2.gz LTRAUUMGGJNBHA-ABYGYWHVSA-N 1 1 454.618 4.995 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)Oc1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164808186 720111676 /nfs/dbraw/zinc/11/16/76/720111676.db2.gz DVWDMKSUOGJMHP-YCRPNKLZSA-N 1 1 487.378 4.546 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)CC2 ZINC001164719461 720113412 /nfs/dbraw/zinc/11/34/12/720113412.db2.gz XGPJCXTXDAFUNB-HXUWFJFHSA-N 1 1 487.982 4.731 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3sc4c(c31)CC[C@@H](C)C4)CC2 ZINC001164719003 720116335 /nfs/dbraw/zinc/11/63/35/720116335.db2.gz URGBGCVTTLQSOT-CTNGQTDRSA-N 1 1 477.678 4.719 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3sc4c(c31)CC[C@H](C)C4)CC2 ZINC001164719005 720116899 /nfs/dbraw/zinc/11/68/99/720116899.db2.gz URGBGCVTTLQSOT-FPOVZHCZSA-N 1 1 477.678 4.719 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(F)cc3ccc(Cl)nc31)CC2 ZINC001164716036 720119336 /nfs/dbraw/zinc/11/93/36/720119336.db2.gz IRCMCOINFIWKSC-NRFANRHFSA-N 1 1 454.977 4.930 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C)nc3c4ccccc4oc31)CC2 ZINC001164718040 720126993 /nfs/dbraw/zinc/12/69/93/720126993.db2.gz QQMBUKOQDRAGSG-NRFANRHFSA-N 1 1 457.578 4.587 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1ccn3C(C)C)CC2 ZINC001164710374 720135851 /nfs/dbraw/zinc/13/58/51/720135851.db2.gz ABQYMYRMLHIJBK-FQEVSTJZSA-N 1 1 469.033 4.568 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3ccn(C(=O)c4ccccc4)c3n1)CC2 ZINC001164711623 720136502 /nfs/dbraw/zinc/13/65/02/720136502.db2.gz HMCLYSYCCHGSFF-AREMUKBSSA-N 1 1 495.627 4.627 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3[nH]c4ccc(Cl)cc4c31)CC2 ZINC001164711212 720137566 /nfs/dbraw/zinc/13/75/66/720137566.db2.gz GDBZBNHHKLUDEC-FQEVSTJZSA-N 1 1 477.012 4.667 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1c(OC)ccc3c(Cl)cc(Cl)nc31)C2 ZINC001164810436 720140476 /nfs/dbraw/zinc/14/04/76/720140476.db2.gz JRPNRIXAIREPKM-WAIKUNEKSA-N 1 1 450.410 4.735 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(F)ccc1Oc1ccc(Cl)nn1)CC2 ZINC001164712505 720141819 /nfs/dbraw/zinc/14/18/19/720141819.db2.gz MXOKSRDSBCVTDQ-OAQYLSRUSA-N 1 1 498.002 4.964 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3c(-c4ccccc4)nsc31)CC2 ZINC001164714646 720143825 /nfs/dbraw/zinc/14/38/25/720143825.db2.gz XURUSQMSKWFMMR-JOCHJYFZSA-N 1 1 486.645 4.656 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cccc3c(Cl)ncnc31)CC2 ZINC001164711244 720145612 /nfs/dbraw/zinc/14/56/12/720145612.db2.gz GJURCYFHESXIFP-IBGZPJMESA-N 1 1 487.982 4.731 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc(-c3ccc(F)cc3)n1)CC2 ZINC001164712667 720147651 /nfs/dbraw/zinc/14/76/51/720147651.db2.gz OETDWCRGACLNHE-JOCHJYFZSA-N 1 1 482.003 4.839 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3c(F)cccc13)CC2 ZINC001164714487 720155021 /nfs/dbraw/zinc/15/50/21/720155021.db2.gz PSLDNKSZIGGZPP-LJQANCHMSA-N 1 1 454.977 4.930 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)Oc1ccc(Cl)nc1Cl)CC2 ZINC001164714843 720155079 /nfs/dbraw/zinc/15/50/79/720155079.db2.gz ZUKPLHLNSKAQEN-QGZVFWFLSA-N 1 1 487.378 4.716 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C)nc3scc(-c4cccs4)c31)C2 ZINC001164816899 720170352 /nfs/dbraw/zinc/17/03/52/720170352.db2.gz NPVLIRRFZFHHCF-HOYKHHGWSA-N 1 1 454.665 4.913 20 0 JJADMO COCc1nc2scc(-c3ccccc3)c2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)n1 ZINC001164812426 720183380 /nfs/dbraw/zinc/18/33/80/720183380.db2.gz ANYPVHXUQYAJHE-JIPXPUAJSA-N 1 1 478.662 4.689 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1cccc(Cl)c1)C2 ZINC001164810753 720197628 /nfs/dbraw/zinc/19/76/28/720197628.db2.gz CNAOYXDFWDTQKN-HXOBKFHXSA-N 1 1 463.409 4.760 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)C2 ZINC001164815261 720203885 /nfs/dbraw/zinc/20/38/85/720203885.db2.gz YAMYNMIOGDVKJS-SBUREZEXSA-N 1 1 480.962 4.666 20 0 JJADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3ccc(Cl)cc3c(-c3ccccc3)n1)CCC2 ZINC001164812320 720237189 /nfs/dbraw/zinc/23/71/89/720237189.db2.gz FEFBASYYRBGGSL-UHFFFAOYSA-N 1 1 489.023 4.757 20 0 JJADMO Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CC[C@@H](C)C5)O2)n1 ZINC001164830981 720408634 /nfs/dbraw/zinc/40/86/34/720408634.db2.gz SVHFSYIPWLVDBU-XCLNPWKQSA-N 1 1 494.665 4.602 20 0 JJADMO c1cncc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2nc(CN3CCCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164731521 720440804 /nfs/dbraw/zinc/44/08/04/720440804.db2.gz LKWVYERWTGUIKD-PKTZIBPZSA-N 1 1 488.705 4.804 20 0 JJADMO Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731798 720481615 /nfs/dbraw/zinc/48/16/15/720481615.db2.gz XTTBFOCYGRBOOD-VXKWHMMOSA-N 1 1 469.980 4.502 20 0 JJADMO Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164731798 720481625 /nfs/dbraw/zinc/48/16/25/720481625.db2.gz XTTBFOCYGRBOOD-VXKWHMMOSA-N 1 1 469.980 4.502 20 0 JJADMO Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164730555 720485005 /nfs/dbraw/zinc/48/50/05/720485005.db2.gz UDNVYGKVWVEBGU-FCHUYYIVSA-N 1 1 455.940 4.899 20 0 JJADMO Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164730555 720485007 /nfs/dbraw/zinc/48/50/07/720485007.db2.gz UDNVYGKVWVEBGU-FCHUYYIVSA-N 1 1 455.940 4.899 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(C(=O)Nc4ccc(Cl)nc4)ccc3F)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834228 720545555 /nfs/dbraw/zinc/54/55/55/720545555.db2.gz CWTZEDLOPMRACB-UNWVZKJWSA-N 1 1 497.018 4.701 20 0 JJADMO CSc1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1Cl ZINC001164837392 720558244 /nfs/dbraw/zinc/55/82/44/720558244.db2.gz MFSQJVHOWIFWGD-BRWVUGGUSA-N 1 1 456.006 4.576 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(-c4ccc(C5OCCCO5)cc4)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842182 720582010 /nfs/dbraw/zinc/58/20/10/720582010.db2.gz UIIKYVRKWNMANW-GMQQYTKMSA-N 1 1 487.648 4.758 20 0 JJADMO CSc1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164836784 720589884 /nfs/dbraw/zinc/58/98/84/720589884.db2.gz GWLBNKDVELBPSU-TXPKVOOTSA-N 1 1 456.006 4.576 20 0 JJADMO CSc1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164836781 720590703 /nfs/dbraw/zinc/59/07/03/720590703.db2.gz GWLBNKDVELBPSU-GPMSIDNRSA-N 1 1 456.006 4.576 20 0 JJADMO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164843252 720604587 /nfs/dbraw/zinc/60/45/87/720604587.db2.gz XAYGBVJBVLGZBO-XPWALMASSA-N 1 1 495.741 4.724 20 0 JJADMO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164840260 720604633 /nfs/dbraw/zinc/60/46/33/720604633.db2.gz POQBGAIMDIIBHP-TWJOJJKGSA-N 1 1 483.664 4.671 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(-c4ccco4)nnc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835599 720610070 /nfs/dbraw/zinc/61/00/70/720610070.db2.gz BRZWGMIVJMRTLZ-ABSDTBQOSA-N 1 1 476.959 4.509 20 0 JJADMO Cc1nc(-c2ccccc2)nc(Cl)c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164835297 720613950 /nfs/dbraw/zinc/61/39/50/720613950.db2.gz AYZBVAHCBLSHBL-BHIFYINESA-N 1 1 451.018 4.680 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(Cl)nc(-c4ccc(F)cc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842197 720617701 /nfs/dbraw/zinc/61/77/01/720617701.db2.gz UJLLDCAPRFTSLK-SESVDKBCSA-N 1 1 454.981 4.510 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(-c4cccc5ccccc54)nn3)CC[C@@H]21 ZINC001164839497 720622729 /nfs/dbraw/zinc/62/27/29/720622729.db2.gz NLOWOPKLOOIBRJ-WCYRKSIYSA-N 1 1 452.606 4.871 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836591 720629611 /nfs/dbraw/zinc/62/96/11/720629611.db2.gz FXYJXJNDPLRIQR-IEIRFRATSA-N 1 1 486.998 4.916 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838324 720629714 /nfs/dbraw/zinc/62/97/14/720629714.db2.gz KTLYANVWOBVAGG-UNWVZKJWSA-N 1 1 486.998 4.916 20 0 JJADMO Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164842760 720640602 /nfs/dbraw/zinc/64/06/02/720640602.db2.gz VMELROWVUSOTGC-KCZVDYSFSA-N 1 1 467.017 4.805 20 0 JJADMO COc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc1 ZINC001164840458 720644507 /nfs/dbraw/zinc/64/45/07/720644507.db2.gz MPUNEOIEVQIQDJ-WOIUINJBSA-N 1 1 483.016 4.505 20 0 JJADMO COc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164838118 720646185 /nfs/dbraw/zinc/64/61/85/720646185.db2.gz FGNROVZMEYIOBC-SLFFLAALSA-N 1 1 483.016 4.505 20 0 JJADMO CCOc1cc2ncnc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2cc1OCC ZINC001164841845 720690271 /nfs/dbraw/zinc/69/02/71/720690271.db2.gz JJQIJBVMFDHNQX-QFIPXVFZSA-N 1 1 476.621 4.687 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3c1ccn3Cc1ccc(F)cc1)CC2 ZINC001164839826 720696006 /nfs/dbraw/zinc/69/60/06/720696006.db2.gz BYQJRZVEWXZBNT-VWLOTQADSA-N 1 1 485.607 4.879 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)CC2 ZINC001164841818 720697408 /nfs/dbraw/zinc/69/74/08/720697408.db2.gz JCNNVNFJGOROKR-HXUWFJFHSA-N 1 1 472.029 4.950 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc(-c3cccnc3)n1)CC2 ZINC001164836447 720710615 /nfs/dbraw/zinc/71/06/15/720710615.db2.gz AQVVDMUOJPRGGY-NRFANRHFSA-N 1 1 499.993 4.997 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncccc1C(=O)N1CCc3ccccc31)CC2 ZINC001164837059 720711397 /nfs/dbraw/zinc/71/13/97/720711397.db2.gz DCFLFYWOVCGOAG-VWLOTQADSA-N 1 1 482.628 4.544 20 0 JJADMO Cc1ccc(-c2nc3c(ncnc3N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)o2)cc1 ZINC001164840879 720715206 /nfs/dbraw/zinc/71/52/06/720715206.db2.gz RGFFDRKFIWFGDK-QHCPKHFHSA-N 1 1 469.589 4.853 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc(-c3ccccn3)n1)CC2 ZINC001164836497 720717087 /nfs/dbraw/zinc/71/70/87/720717087.db2.gz BNGNZTQTCDOXSS-FQEVSTJZSA-N 1 1 499.993 4.997 20 0 JJADMO Cc1cc(OCc2ccccc2)nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164841014 720723243 /nfs/dbraw/zinc/72/32/43/720723243.db2.gz UHXIVDJRNLGSQY-VWLOTQADSA-N 1 1 458.606 4.624 20 0 JJADMO CC[C@@H]1N(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CC[C@@H](C)C4)CCC[C@@]12CCC(=O)N2 ZINC001164850485 720755563 /nfs/dbraw/zinc/75/55/63/720755563.db2.gz XALGPKNFSIXGSD-OGHKIJNOSA-N 1 1 481.710 4.830 20 0 JJADMO Clc1ccc(-c2nnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c3ccccc32)cc1Cl ZINC001164741742 720783527 /nfs/dbraw/zinc/78/35/27/720783527.db2.gz MWPVRWITQKHGKF-ROUUACIJSA-N 1 1 493.398 4.736 20 0 JJADMO FC(F)(c1cnc(Cl)c(-c2ccc(Cl)cc2)c1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164749787 720806716 /nfs/dbraw/zinc/80/67/16/720806716.db2.gz UODUWPQINVOIDL-RTBURBONSA-N 1 1 492.357 4.732 20 0 JJADMO FC(F)(c1cnc(Cl)c(-c2ccc(Cl)cc2)c1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164749787 720806721 /nfs/dbraw/zinc/80/67/21/720806721.db2.gz UODUWPQINVOIDL-RTBURBONSA-N 1 1 492.357 4.732 20 0 JJADMO c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc5cc(OCc6ccccc6)ccc5n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164741211 720834534 /nfs/dbraw/zinc/83/45/34/720834534.db2.gz DTEFHRBXWKLNNR-UWPQIUOOSA-N 1 1 494.643 4.785 20 0 JJADMO c1ncn(C[C@@H]2C[C@H]3CN(c4ccc5cc(OCc6ccccc6)ccc5n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164741206 720834772 /nfs/dbraw/zinc/83/47/72/720834772.db2.gz DTEFHRBXWKLNNR-QXTIUPHPSA-N 1 1 494.643 4.785 20 0 JJADMO c1ncn(C[C@@H]2C[C@@H]3CN(c4cc(-c5ccccc5)c5ccccc5n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164746550 720845984 /nfs/dbraw/zinc/84/59/84/720845984.db2.gz OLKGYZHPMKCIAN-FMGHJNRGSA-N 1 1 464.617 4.873 20 0 JJADMO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164753059 720861862 /nfs/dbraw/zinc/86/18/62/720861862.db2.gz VSUICSNHJFEIMZ-YCRNBWNJSA-N 1 1 491.030 4.520 20 0 JJADMO CC(C)c1cc2c(ncnc2N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)s1 ZINC001164754375 720868996 /nfs/dbraw/zinc/86/89/96/720868996.db2.gz RMKLMEOOXBIARB-WXVAWEFUSA-N 1 1 477.678 4.965 20 0 JJADMO Cc1cc(C(F)(F)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc(Cl)n1 ZINC001164754316 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YNYYZERBUJXQOM-SFTDATJTSA-N 1 1 458.997 4.642 20 0 JJADMO Cc1ccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)s1 ZINC001164871488 721159229 /nfs/dbraw/zinc/15/92/29/721159229.db2.gz DWVFHNFGHQGSHN-SFTDATJTSA-N 1 1 457.603 4.541 20 0 JJADMO c1ccc(-c2ccc(-c3ccc(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@H]5C4)nn3)cc2)cc1 ZINC001164876366 721162679 /nfs/dbraw/zinc/16/26/79/721162679.db2.gz LVUDVJZOHIXLLY-RRPNLBNLSA-N 1 1 463.585 4.685 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncnc5cc(-c6ccc(Cl)cc6)sc54)C[C@H]3C2)cn1 ZINC001164767801 721200203 /nfs/dbraw/zinc/20/02/03/721200203.db2.gz KPFDTKMKWUOGAI-RTBURBONSA-N 1 1 465.026 4.704 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5cccs5)nc5sc6c(c54)CCC6)C[C@H]3C2)cn1 ZINC001164771887 721202198 /nfs/dbraw/zinc/20/21/98/721202198.db2.gz RSQSIRVZFCBVQH-QZTJIDSGSA-N 1 1 476.675 4.600 20 0 JJADMO Cc1sc2nc(-c3cccs3)nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c2c1C ZINC001164763380 721202375 /nfs/dbraw/zinc/20/23/75/721202375.db2.gz FQZFWEOZKGBZAY-OALUTQOASA-N 1 1 464.664 4.728 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccccc5F)c4)C[C@H]3C2)cn1 ZINC001164764912 721224501 /nfs/dbraw/zinc/22/45/01/721224501.db2.gz HCELJHFAKCEHGK-QZTJIDSGSA-N 1 1 475.946 4.778 20 0 JJADMO C[C@@H]1c2ncc(COCC3CC3)n2CCN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164871806 721241877 /nfs/dbraw/zinc/24/18/77/721241877.db2.gz IIYLMCJHOBLSEL-GOSISDBHSA-N 1 1 492.693 4.870 20 0 JJADMO Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)cnc2Cl)c1 ZINC001164762494 721247921 /nfs/dbraw/zinc/24/79/21/721247921.db2.gz LARDITWKIAHVEP-RTWAWAEBSA-N 1 1 471.983 4.947 20 0 JJADMO O=C(NC[C@@H]1CCC[C@@]2(CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C2)O1)c1ccccc1 ZINC001164874114 721256058 /nfs/dbraw/zinc/25/60/58/721256058.db2.gz JHEKYKQPTHYERN-DHIFEGFHSA-N 1 1 496.655 4.588 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)nc1 ZINC001164875815 721259672 /nfs/dbraw/zinc/25/96/72/721259672.db2.gz MKRIWIWWHWFPFB-GEBXHLAXSA-N 1 1 476.665 4.967 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC4(CC3)C(=O)NC[C@@H]4c3ccccc3)c2c1C ZINC001164879379 721318675 /nfs/dbraw/zinc/31/86/75/721318675.db2.gz SJNXAKHIZGGAKT-JOCHJYFZSA-N 1 1 489.689 4.794 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccnc(Cl)c3Cl)C2)C1 ZINC001164777744 721336664 /nfs/dbraw/zinc/33/66/64/721336664.db2.gz QGAIBXZZTJIUNQ-FQEVSTJZSA-N 1 1 475.367 4.657 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccnc(Cl)c3Cl)C2)C1 ZINC001164777744 721336670 /nfs/dbraw/zinc/33/66/70/721336670.db2.gz QGAIBXZZTJIUNQ-FQEVSTJZSA-N 1 1 475.367 4.657 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)C1 ZINC001164777354 721338519 /nfs/dbraw/zinc/33/85/19/721338519.db2.gz MGNZJSOAPXLKTE-RUZDIDTESA-N 1 1 468.001 4.521 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)C1 ZINC001164777354 721338529 /nfs/dbraw/zinc/33/85/29/721338529.db2.gz MGNZJSOAPXLKTE-RUZDIDTESA-N 1 1 468.001 4.521 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(-c4ccnc(Cl)c4)ccn3)C2)C1 ZINC001164777360 721341429 /nfs/dbraw/zinc/34/14/29/721341429.db2.gz GLIBMTAGNLRPDY-RUZDIDTESA-N 1 1 468.001 4.521 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4cc(C(C)(C)C)sc43)C2)C1 ZINC001164779493 721341906 /nfs/dbraw/zinc/34/19/06/721341906.db2.gz UHIFSTITNSIIME-RUZDIDTESA-N 1 1 469.655 4.713 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nnc3-c3ccccc3)C2)C1 ZINC001164779691 721350469 /nfs/dbraw/zinc/35/04/69/721350469.db2.gz UWASQMAYXUZQMD-VWLOTQADSA-N 1 1 468.001 4.521 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc4cc(C)c(C)cc4nc3Cl)C2)C1 ZINC001164780239 721357329 /nfs/dbraw/zinc/35/73/29/721357329.db2.gz DOUAWCIUMYPHBU-RUZDIDTESA-N 1 1 470.017 4.624 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc4cc(C)c(C)cc4nc3Cl)C2)C1 ZINC001164780239 721357332 /nfs/dbraw/zinc/35/73/32/721357332.db2.gz DOUAWCIUMYPHBU-RUZDIDTESA-N 1 1 470.017 4.624 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C)c4ccc(Cl)cc4n3)C2)C1 ZINC001164784315 721357474 /nfs/dbraw/zinc/35/74/74/721357474.db2.gz RGYBWJRKPPOQHW-VWLOTQADSA-N 1 1 455.002 4.920 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4[C@H]3CC(=O)N4c3ccsc3)c2c1C ZINC001164885848 721357575 /nfs/dbraw/zinc/35/75/75/721357575.db2.gz ZVVOOLCJKKGQST-RBUKOAKNSA-N 1 1 467.664 4.740 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(C)c4cccc(Cl)c4n3)C2)C1 ZINC001164780815 721360424 /nfs/dbraw/zinc/36/04/24/721360424.db2.gz HVELKTFEQXDDEF-RUZDIDTESA-N 1 1 455.002 4.920 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4ccc(Cl)c(C)c4n3)C2)C1 ZINC001164782216 721362004 /nfs/dbraw/zinc/36/20/04/721362004.db2.gz LGXLHZCOJLZVNG-VWLOTQADSA-N 1 1 455.002 4.920 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3c(C)nc(-c4ccccc4)nc3Cl)C2)C1 ZINC001164780105 721367951 /nfs/dbraw/zinc/36/79/51/721367951.db2.gz DHMQOJKQJWCYQW-AREMUKBSSA-N 1 1 482.028 4.829 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3c(C)nc(-c4ccccc4)nc3Cl)C2)C1 ZINC001164780105 721367953 /nfs/dbraw/zinc/36/79/53/721367953.db2.gz DHMQOJKQJWCYQW-AREMUKBSSA-N 1 1 482.028 4.829 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nnc(Cl)c4ccc(Cl)cc43)C2)C1 ZINC001164785202 721371255 /nfs/dbraw/zinc/37/12/55/721371255.db2.gz SJKFDGONGKNRCF-HSZRJFAPSA-N 1 1 476.408 4.660 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc4c(Cl)ccc(F)c4n3)C2)C1 ZINC001164785382 721373909 /nfs/dbraw/zinc/37/39/09/721373909.db2.gz RWARZGFOJSRCOX-XMMPIXPASA-N 1 1 458.965 4.751 20 0 JJADMO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164786966 721373962 /nfs/dbraw/zinc/37/39/62/721373962.db2.gz VYBQKKWOKAUZIW-VOIUYBSRSA-N 1 1 462.038 4.676 20 0 JJADMO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164786966 721373964 /nfs/dbraw/zinc/37/39/64/721373964.db2.gz VYBQKKWOKAUZIW-VOIUYBSRSA-N 1 1 462.038 4.676 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc4c(F)cccc34)C2)C1 ZINC001164781967 721375112 /nfs/dbraw/zinc/37/51/12/721375112.db2.gz LBHLSYBDTOBODK-DEOSSOPVSA-N 1 1 458.965 4.751 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)C2)C1 ZINC001164781775 721376218 /nfs/dbraw/zinc/37/62/18/721376218.db2.gz KCCVEWUJIZNAQW-QFIPXVFZSA-N 1 1 480.987 4.579 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)C2)C1 ZINC001164781775 721376224 /nfs/dbraw/zinc/37/62/24/721376224.db2.gz KCCVEWUJIZNAQW-QFIPXVFZSA-N 1 1 480.987 4.579 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)C2)C1 ZINC001164788549 721376940 /nfs/dbraw/zinc/37/69/40/721376940.db2.gz ZUGFUIIBLDUQMI-JOCHJYFZSA-N 1 1 480.987 4.579 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)C2)C1 ZINC001164788549 721376943 /nfs/dbraw/zinc/37/69/43/721376943.db2.gz ZUGFUIIBLDUQMI-JOCHJYFZSA-N 1 1 480.987 4.579 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)C2)C1 ZINC001164780363 721377046 /nfs/dbraw/zinc/37/70/46/721377046.db2.gz GLOKRGCJXWHGHB-HSZRJFAPSA-N 1 1 480.987 4.881 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)C2)C1 ZINC001164780363 721377049 /nfs/dbraw/zinc/37/70/49/721377049.db2.gz GLOKRGCJXWHGHB-HSZRJFAPSA-N 1 1 480.987 4.881 20 0 JJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)nc1 ZINC001164783177 721386719 /nfs/dbraw/zinc/38/67/19/721386719.db2.gz NVEHIBIMWUZSPI-ZWEKWIFMSA-N 1 1 450.627 4.616 20 0 JJADMO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164787600 721404287 /nfs/dbraw/zinc/40/42/87/721404287.db2.gz QAUMNTBLLMBUJF-TXEJJXNPSA-N 1 1 456.349 4.506 20 0 JJADMO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164787600 721404291 /nfs/dbraw/zinc/40/42/91/721404291.db2.gz QAUMNTBLLMBUJF-TXEJJXNPSA-N 1 1 456.349 4.506 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(-c5ccc(Cl)cc5)nc5ccccc54)C3)O2)CC1 ZINC001164892469 721409784 /nfs/dbraw/zinc/40/97/84/721409784.db2.gz YJBMYLCWTJJNJK-NEKDWFFYSA-N 1 1 492.067 4.716 20 0 JJADMO COc1ccc(-c2nc3ccc(Cl)cc3c(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)n2)cc1 ZINC001164781121 721415357 /nfs/dbraw/zinc/41/53/57/721415357.db2.gz BTOZLKDSIIFDTE-QZTJIDSGSA-N 1 1 478.021 4.984 20 0 JJADMO COc1ccc(-c2nc3ccc(Cl)cc3c(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)n2)cc1 ZINC001164780620 721415408 /nfs/dbraw/zinc/41/54/08/721415408.db2.gz BTOZLKDSIIFDTE-HDICACEKSA-N 1 1 478.021 4.984 20 0 JJADMO COc1ccc(-c2nc3ccc(Cl)cc3c(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)n2)cc1 ZINC001164780620 721415411 /nfs/dbraw/zinc/41/54/11/721415411.db2.gz BTOZLKDSIIFDTE-HDICACEKSA-N 1 1 478.021 4.984 20 0 JJADMO c1csc(C[N@@H+]2C[C@H]3CN(c4nc(CN5CCCCC5)nc5sc6c(c54)CCCC6)C[C@H]3C2)n1 ZINC001164784376 721426732 /nfs/dbraw/zinc/42/67/32/721426732.db2.gz LJAHALMZNSDULQ-KDURUIRLSA-N 1 1 494.734 4.581 20 0 JJADMO c1csc(C[N@H+]2C[C@H]3CN(c4nc(CN5CCCCC5)nc5sc6c(c54)CCCC6)C[C@H]3C2)n1 ZINC001164784376 721426734 /nfs/dbraw/zinc/42/67/34/721426734.db2.gz LJAHALMZNSDULQ-KDURUIRLSA-N 1 1 494.734 4.581 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncnc5scc(-c6ccc(Cl)cc6)c54)C3)O2)CC1 ZINC001164890753 721433497 /nfs/dbraw/zinc/43/34/97/721433497.db2.gz FANFCXODMYHYEZ-LVXARBLLSA-N 1 1 498.096 4.777 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncnc5scc(-c6ccc(Cl)cc6)c54)C3)O2)CC1 ZINC001164890754 721433510 /nfs/dbraw/zinc/43/35/10/721433510.db2.gz FANFCXODMYHYEZ-QFQXNSOFSA-N 1 1 498.096 4.777 20 0 JJADMO c1csc(C[NH+]2C[C@@H]3CN(c4ccc(-c5ccc(Oc6ccccc6)cc5)nn4)C[C@H]3C2)n1 ZINC001164781225 721433573 /nfs/dbraw/zinc/43/35/73/721433573.db2.gz CNKVQYFGIDUZAX-NHCUHLMSSA-N 1 1 455.587 4.961 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc5cc(-c6ccc(Cl)cc6)sc54)C3)O2)CC1 ZINC001164896840 721434342 /nfs/dbraw/zinc/43/43/42/721434342.db2.gz SFYZLHSYWGXBAA-HFZDXXHNSA-N 1 1 498.096 4.777 20 0 JJADMO COc1ccc2c(c1)nc(N1CC[C@]3(C1)CCC[C@H](CN1CC[NH+](C)CC1)O3)cc2-c1ccccc1 ZINC001164898355 721434807 /nfs/dbraw/zinc/43/48/07/721434807.db2.gz VTJKIZXKHANZFB-RNAHPLFWSA-N 1 1 486.660 4.676 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(C6CCCCC6)cc5)nn4)C3)O2)CC1 ZINC001164892316 721444325 /nfs/dbraw/zinc/44/43/25/721444325.db2.gz ICXLXXBFDVFPSR-OFSOJUDTSA-N 1 1 489.708 4.957 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)nc(Cl)c1)CC2 ZINC001164785990 721451391 /nfs/dbraw/zinc/45/13/91/721451391.db2.gz LFKYOALFQRFBMD-GOSISDBHSA-N 1 1 478.411 4.667 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)CC2 ZINC001164789306 721458268 /nfs/dbraw/zinc/45/82/68/721458268.db2.gz WUFHMLSXWUEGCI-FQEVSTJZSA-N 1 1 495.014 4.562 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(SC)cnc1Cl)CC2 ZINC001164787910 721465222 /nfs/dbraw/zinc/46/52/22/721465222.db2.gz SWEWVKGAYNPGCJ-SFHVURJKSA-N 1 1 490.060 4.736 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3cccc(Cl)c3)nn1)CC2 ZINC001164789974 721467335 /nfs/dbraw/zinc/46/73/35/721467335.db2.gz PRAFMTKXXKQQOA-QHCPKHFHSA-N 1 1 471.045 4.531 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(F)ccc1-c1ccc(Cl)nn1)CC2 ZINC001164787365 721469100 /nfs/dbraw/zinc/46/91/00/721469100.db2.gz FDFVNJNTZASXCC-NRFANRHFSA-N 1 1 489.035 4.670 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cc3cccc(F)c31)CC2 ZINC001164791306 721473834 /nfs/dbraw/zinc/47/38/34/721473834.db2.gz WXBATJAAJYPSMZ-FQEVSTJZSA-N 1 1 462.009 4.761 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCCC[C@@]23CC(=O)N(Cc2cccnc2)C3)n1 ZINC001164892373 721475688 /nfs/dbraw/zinc/47/56/88/721475688.db2.gz FQCUMCDDDSZNSU-MHZLTWQESA-N 1 1 492.693 4.707 20 0 JJADMO CCOC[C@@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CC[C@@H](C)C4)Cc2cnn(C)c21 ZINC001164789068 721477423 /nfs/dbraw/zinc/47/74/23/721477423.db2.gz ARBWJZPYIWKMPC-QUCCMNQESA-N 1 1 494.709 4.676 20 0 JJADMO CNC(=O)N[C@H]1CC2(CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC2)c2ccc(C)cc21 ZINC001164901523 721492521 /nfs/dbraw/zinc/49/25/21/721492521.db2.gz WBWFGZGMIUDOCT-QFIPXVFZSA-N 1 1 468.045 4.551 20 0 JJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc3c(Cl)nc(Cl)nc31)CC2 ZINC001164792469 721492747 /nfs/dbraw/zinc/49/27/47/721492747.db2.gz PFGZLEVXGPNVQD-UHFFFAOYSA-N 1 1 478.815 4.656 20 0 JJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)CC2 ZINC001164796379 721497738 /nfs/dbraw/zinc/49/77/38/721497738.db2.gz SGOBFSNFOBHAOQ-UHFFFAOYSA-N 1 1 468.964 4.732 20 0 JJADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c2c1 ZINC001164795763 721499544 /nfs/dbraw/zinc/49/95/44/721499544.db2.gz LTXACPBJLFHUBH-UHFFFAOYSA-N 1 1 480.012 4.736 20 0 JJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(C(=O)N3CCCCC3)cc1Cl)CC2 ZINC001164795411 721500689 /nfs/dbraw/zinc/50/06/89/721500689.db2.gz GHRAYLBHJGTRJG-UHFFFAOYSA-N 1 1 468.045 4.637 20 0 JJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)Cc1nc3c(ncnc3Cl)s1)CC2 ZINC001164795538 721504723 /nfs/dbraw/zinc/50/47/23/721504723.db2.gz LALVIHKWHGXWQX-UHFFFAOYSA-N 1 1 479.000 4.647 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)nc(Cl)c(Cl)c2Cl)[C@H]2CCCO[C@H]12 ZINC001164805178 721542512 /nfs/dbraw/zinc/54/25/12/721542512.db2.gz LBIKMCGMRPBPRS-AHIWAGSCSA-N 1 1 462.208 4.958 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)nc(Cl)c(Cl)c2Cl)[C@H]2CCCO[C@H]12 ZINC001164805178 721542517 /nfs/dbraw/zinc/54/25/17/721542517.db2.gz LBIKMCGMRPBPRS-AHIWAGSCSA-N 1 1 462.208 4.958 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3cc(Cl)c(Cl)cc3nc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164798959 721542579 /nfs/dbraw/zinc/54/25/79/721542579.db2.gz AFOQUCUYWGLUQO-XUVXKRRUSA-N 1 1 478.811 4.853 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3cc(Cl)c(Cl)cc3nc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164798959 721542581 /nfs/dbraw/zinc/54/25/81/721542581.db2.gz AFOQUCUYWGLUQO-XUVXKRRUSA-N 1 1 478.811 4.853 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)[C@@H]2CCCO[C@H]12 ZINC001164803165 721558384 /nfs/dbraw/zinc/55/83/84/721558384.db2.gz JQNAUHNWCXMKLH-AQNXPRMDSA-N 1 1 494.373 4.745 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)[C@@H]2CCCO[C@H]12 ZINC001164803165 721558385 /nfs/dbraw/zinc/55/83/85/721558385.db2.gz JQNAUHNWCXMKLH-AQNXPRMDSA-N 1 1 494.373 4.745 20 0 JJADMO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccnc5)c4)CC[N@H+]3C2)c1 ZINC001164910224 721561714 /nfs/dbraw/zinc/56/17/14/721561714.db2.gz WBHRVMZMWQTPHQ-CTNGQTDRSA-N 1 1 474.914 4.823 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc3ccccc3nc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164805684 721567744 /nfs/dbraw/zinc/56/77/44/721567744.db2.gz OKQIAZAAMOXMGE-YPAWHYETSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc3ccccc3nc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164805684 721567747 /nfs/dbraw/zinc/56/77/47/721567747.db2.gz OKQIAZAAMOXMGE-YPAWHYETSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3c(Cl)nccc32)[C@@H]2CCCO[C@H]12 ZINC001164809867 721569252 /nfs/dbraw/zinc/56/92/52/721569252.db2.gz XQAZFIIJVSISSU-VSKRKVRLSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3c(Cl)nccc32)[C@@H]2CCCO[C@H]12 ZINC001164809867 721569257 /nfs/dbraw/zinc/56/92/57/721569257.db2.gz XQAZFIIJVSISSU-VSKRKVRLSA-N 1 1 458.940 4.696 20 0 JJADMO COc1ccc(-c2csc3ncnc(N4C[C@H]([N@H+](C)Cc5cccnc5)[C@H]5OCCC[C@H]54)c23)cc1 ZINC001164806657 721576619 /nfs/dbraw/zinc/57/66/19/721576619.db2.gz QOCWXCFPDLRNFD-CUYJMHBOSA-N 1 1 487.629 4.630 20 0 JJADMO COc1ccc(-c2csc3ncnc(N4C[C@H]([N@@H+](C)Cc5cccnc5)[C@H]5OCCC[C@H]54)c23)cc1 ZINC001164806657 721576623 /nfs/dbraw/zinc/57/66/23/721576623.db2.gz QOCWXCFPDLRNFD-CUYJMHBOSA-N 1 1 487.629 4.630 20 0 JJADMO COc1ccc(-c2csc3ncnc(N4C[C@H]([N@H+](C)Cc5cccnc5)[C@@H]5OCCC[C@@H]54)c23)cc1 ZINC001164806660 721577130 /nfs/dbraw/zinc/57/71/30/721577130.db2.gz QOCWXCFPDLRNFD-SONWIMMPSA-N 1 1 487.629 4.630 20 0 JJADMO COc1ccc(-c2csc3ncnc(N4C[C@H]([N@@H+](C)Cc5cccnc5)[C@@H]5OCCC[C@@H]54)c23)cc1 ZINC001164806660 721577132 /nfs/dbraw/zinc/57/71/32/721577132.db2.gz QOCWXCFPDLRNFD-SONWIMMPSA-N 1 1 487.629 4.630 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)[C@@H]2CCCO[C@H]12 ZINC001164805618 721578217 /nfs/dbraw/zinc/57/82/17/721578217.db2.gz LGZOGKXAZKPJEO-RQTOMXEWSA-N 1 1 498.656 4.505 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)[C@@H]2CCCO[C@H]12 ZINC001164805618 721578219 /nfs/dbraw/zinc/57/82/19/721578219.db2.gz LGZOGKXAZKPJEO-RQTOMXEWSA-N 1 1 498.656 4.505 20 0 JJADMO Cc1sc2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2c1-c1ccccc1 ZINC001164808069 721578704 /nfs/dbraw/zinc/57/87/04/721578704.db2.gz PTUOSKRPUMXUEW-WRALFONMSA-N 1 1 471.630 4.930 20 0 JJADMO Cc1sc2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2c1-c1ccccc1 ZINC001164808069 721578709 /nfs/dbraw/zinc/57/87/09/721578709.db2.gz PTUOSKRPUMXUEW-WRALFONMSA-N 1 1 471.630 4.930 20 0 JJADMO CSCc1nc2sc3c(c2c(N2C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]42)n1)CCCC3 ZINC001164810175 721578936 /nfs/dbraw/zinc/57/89/36/721578936.db2.gz UXVFAQBKOHMWMZ-JXALWOEJSA-N 1 1 495.718 4.696 20 0 JJADMO CSCc1nc2sc3c(c2c(N2C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]42)n1)CCCC3 ZINC001164810175 721578940 /nfs/dbraw/zinc/57/89/40/721578940.db2.gz UXVFAQBKOHMWMZ-JXALWOEJSA-N 1 1 495.718 4.696 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3cnn(CC4CCOCC4)c3[C@H]2COCC)nc1 ZINC001164902190 721579073 /nfs/dbraw/zinc/57/90/73/721579073.db2.gz CHIVIIRJFHJNFE-CLJLJLNGSA-N 1 1 481.685 4.782 20 0 JJADMO Cc1ccc(-c2nc3ccccc3c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)n2)s1 ZINC001164810868 721582520 /nfs/dbraw/zinc/58/25/20/721582520.db2.gz WNFJITMEJMAMBJ-LSQMVHIFSA-N 1 1 471.630 4.930 20 0 JJADMO Cc1ccc(-c2nc3ccccc3c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)n2)s1 ZINC001164810868 721582524 /nfs/dbraw/zinc/58/25/24/721582524.db2.gz WNFJITMEJMAMBJ-LSQMVHIFSA-N 1 1 471.630 4.930 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)[C@H]2CCCO[C@@H]12 ZINC001164805827 721586764 /nfs/dbraw/zinc/58/67/64/721586764.db2.gz LZBCULMNLSCIPE-YTFSRNRJSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)[C@H]2CCCO[C@@H]12 ZINC001164805827 721586767 /nfs/dbraw/zinc/58/67/67/721586767.db2.gz LZBCULMNLSCIPE-YTFSRNRJSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccc(Cl)cc2)[C@@H]2CCCO[C@@H]12 ZINC001164806254 721589838 /nfs/dbraw/zinc/58/98/38/721589838.db2.gz MPVHZIQOQZMZFN-CEMLEFRQSA-N 1 1 486.403 4.839 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccc(Cl)cc2)[C@@H]2CCCO[C@@H]12 ZINC001164806254 721589841 /nfs/dbraw/zinc/58/98/41/721589841.db2.gz MPVHZIQOQZMZFN-CEMLEFRQSA-N 1 1 486.403 4.839 20 0 JJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCn3cnc(COCC4CC4)c3C2)n1 ZINC001164802840 721600036 /nfs/dbraw/zinc/60/00/36/721600036.db2.gz SOTWJCGNNFHERN-UHFFFAOYSA-N 1 1 474.634 4.563 20 0 JJADMO Cc1cncc(COC[C@]23CCC[C@H]2CN(c2ncnc4c2CC[N@H+](Cc2ccccc2)C4)C3)c1 ZINC001164802941 721600893 /nfs/dbraw/zinc/60/08/93/721600893.db2.gz UGELBDNCZZIMPX-ABYGYWHVSA-N 1 1 469.633 4.562 20 0 JJADMO Cc1cncc(COC[C@]23CCC[C@H]2CN(c2ncnc4c2CC[N@@H+](Cc2ccccc2)C4)C3)c1 ZINC001164802941 721600895 /nfs/dbraw/zinc/60/08/95/721600895.db2.gz UGELBDNCZZIMPX-ABYGYWHVSA-N 1 1 469.633 4.562 20 0 JJADMO O=C(Nc1cccc(Cl)c1)C1=NO[C@@]2(C1)CCCN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164804877 721605670 /nfs/dbraw/zinc/60/56/70/721605670.db2.gz ZWJSOROYWKDNNT-XMMPIXPASA-N 1 1 488.419 4.738 20 0 JJADMO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164905516 721691894 /nfs/dbraw/zinc/69/18/94/721691894.db2.gz JQUGVMJGIUNNCQ-NRFANRHFSA-N 1 1 479.909 4.961 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(CC[C@@H](C(=O)Nc4cccnc4)O3)[C@H](C)C2)nc1 ZINC001165009268 721692260 /nfs/dbraw/zinc/69/22/60/721692260.db2.gz OIYYWOYQCCMYCC-DAHKTCFSSA-N 1 1 477.653 4.816 20 0 JJADMO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908685 721704703 /nfs/dbraw/zinc/70/47/03/721704703.db2.gz YNZGWWRQWQLQCG-FQEVSTJZSA-N 1 1 467.898 4.894 20 0 JJADMO FC1(F)CCN(c2ccc(-c3cccc(Cl)c3)nn2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164911781 721724739 /nfs/dbraw/zinc/72/47/39/721724739.db2.gz KJDGOONLDKCUKI-QHCPKHFHSA-N 1 1 455.940 4.930 20 0 JJADMO CC(C)C(=O)N1CCC[C@@]12CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CC[C@H](C)C4)C2 ZINC001165008132 721726478 /nfs/dbraw/zinc/72/64/78/721726478.db2.gz JXTHELTVUMYBFX-PPHZAIPVSA-N 1 1 481.710 4.639 20 0 JJADMO O=C(OCc1ccccc1)c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164913900 721728550 /nfs/dbraw/zinc/72/85/50/721728550.db2.gz ZJEIGHKMUQJLDK-SANMLTNESA-N 1 1 478.543 4.571 20 0 JJADMO Cc1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164912868 721733155 /nfs/dbraw/zinc/73/31/55/721733155.db2.gz QSDAHSOJFTYHCB-QHCPKHFHSA-N 1 1 470.955 4.633 20 0 JJADMO FC1(F)CCN(c2nc(-c3ccncc3)nc3sccc32)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164913833 721733325 /nfs/dbraw/zinc/73/33/25/721733325.db2.gz YSKWJTDWBRGKLD-XMMPIXPASA-N 1 1 478.572 4.886 20 0 JJADMO Cc1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164912865 721733372 /nfs/dbraw/zinc/73/33/72/721733372.db2.gz QSDAHSOJFTYHCB-HSZRJFAPSA-N 1 1 470.955 4.633 20 0 JJADMO Cc1cc(-c2ccccc2F)nnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164913835 721735009 /nfs/dbraw/zinc/73/50/09/721735009.db2.gz YSZAZDFNDWUKMU-XMMPIXPASA-N 1 1 453.512 4.724 20 0 JJADMO FC1(F)CCN(c2c(Cl)nnc(Cl)c2N2CCCCC2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164912922 721739071 /nfs/dbraw/zinc/73/90/71/721739071.db2.gz RFDJPBCEWOWDFV-QFIPXVFZSA-N 1 1 497.421 4.906 20 0 JJADMO CN(Cc1ccco1)Cc1cncc2c1CCN(c1[nH+]cnc3c1ccn3Cc1cccc(F)c1)C2 ZINC001164911799 721756618 /nfs/dbraw/zinc/75/66/18/721756618.db2.gz ZLYRPPPYWKXZJO-UHFFFAOYSA-N 1 1 482.563 4.801 20 0 JJADMO Cc1ccc(-c2nc3c(ncnc3N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)o2)cc1 ZINC001164910921 721762340 /nfs/dbraw/zinc/76/23/40/721762340.db2.gz LYWNTRNUPBJSDD-UHFFFAOYSA-N 1 1 466.545 4.776 20 0 JJADMO Cc1ccc(-c2nc3c(ncnc3N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)o2)cc1 ZINC001164910921 721762346 /nfs/dbraw/zinc/76/23/46/721762346.db2.gz LYWNTRNUPBJSDD-UHFFFAOYSA-N 1 1 466.545 4.776 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(-c3ccccn3)nc3sccc31)C2 ZINC001164910508 721763840 /nfs/dbraw/zinc/76/38/40/721763840.db2.gz HIGBVRWDHDQKRD-UHFFFAOYSA-N 1 1 468.586 4.936 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(-c3ccccn3)nc3sccc31)C2 ZINC001164910508 721763850 /nfs/dbraw/zinc/76/38/50/721763850.db2.gz HIGBVRWDHDQKRD-UHFFFAOYSA-N 1 1 468.586 4.936 20 0 JJADMO COc1ccc(Oc2cc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nc(C)n2)cc1 ZINC001164910570 721764423 /nfs/dbraw/zinc/76/44/23/721764423.db2.gz INBFMBAWDXDGND-UHFFFAOYSA-N 1 1 471.561 4.769 20 0 JJADMO COc1ccc(Oc2cc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nc(C)n2)cc1 ZINC001164910570 721764425 /nfs/dbraw/zinc/76/44/25/721764425.db2.gz INBFMBAWDXDGND-UHFFFAOYSA-N 1 1 471.561 4.769 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC[C@H]4CN(C(=O)c5ccco5)C[C@H]43)c2c1C ZINC001165017144 721772194 /nfs/dbraw/zinc/77/21/94/721772194.db2.gz QWWKCFUMDQRGAC-VQTJNVASSA-N 1 1 479.650 4.628 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC[C@@H]4CN(C(=O)c5ccco5)C[C@H]43)c2c1C ZINC001165017147 721772297 /nfs/dbraw/zinc/77/22/97/721772297.db2.gz QWWKCFUMDQRGAC-WOJBJXKFSA-N 1 1 479.650 4.628 20 0 JJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@H]3CN(C(=O)c4ccco4)C[C@@H]32)n1 ZINC001165018200 721772554 /nfs/dbraw/zinc/77/25/54/721772554.db2.gz UIIKPKZWMZPPNY-FPOVZHCZSA-N 1 1 487.629 4.754 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc(Cl)c4ccccc4n3)C[C@H]21 ZINC001165019540 721801945 /nfs/dbraw/zinc/80/19/45/721801945.db2.gz CWPRSWNJBGATQC-OZOXKJRCSA-N 1 1 457.956 4.960 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3ccc4c(Cl)ncnc4c3)C[C@@H]21 ZINC001165017818 721804292 /nfs/dbraw/zinc/80/42/92/721804292.db2.gz ATBCJQUXQBKMSV-XUEUYAKLSA-N 1 1 457.956 4.960 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C(=O)NCc4ccccc4)cc(Cl)n3)C[C@H]21 ZINC001165026963 721805312 /nfs/dbraw/zinc/80/53/12/721805312.db2.gz SYDGXKIHUSFJFJ-NQHRYMMQSA-N 1 1 490.051 4.797 20 0 JJADMO CCOC(=O)c1cnc(Cl)c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1Cl ZINC001165019657 721806081 /nfs/dbraw/zinc/80/60/81/721806081.db2.gz DQKJHWTZLIKQEF-ZYSHUDEJSA-N 1 1 463.409 4.697 20 0 JJADMO CCOC(=O)c1cnc(Cl)c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1Cl ZINC001165019653 721806089 /nfs/dbraw/zinc/80/60/89/721806089.db2.gz DQKJHWTZLIKQEF-IPELMVKDSA-N 1 1 463.409 4.697 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3ncn4Cc3ccccc3)C[C@H]21 ZINC001165018711 721806930 /nfs/dbraw/zinc/80/69/30/721806930.db2.gz BZTYFSNRSADTTM-MDNUFGMLSA-N 1 1 488.039 4.660 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@]4(C[C@@H](Oc5cccnc5)CO4)C3)c2c1C ZINC001164917325 721807082 /nfs/dbraw/zinc/80/70/82/721807082.db2.gz UXYYZCGCWGKVCJ-RLWLMLJZSA-N 1 1 479.650 4.506 20 0 JJADMO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(n3)CCN(Cc3ccccc3)C4)C[C@@H]21 ZINC001165017876 721807633 /nfs/dbraw/zinc/80/76/33/721807633.db2.gz BALLOCZUKUQJGB-PZFKOMAXSA-N 1 1 467.661 4.772 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(n3)CCN(Cc3ccccc3)C4)C[C@@H]21 ZINC001165017876 721807636 /nfs/dbraw/zinc/80/76/36/721807636.db2.gz BALLOCZUKUQJGB-PZFKOMAXSA-N 1 1 467.661 4.772 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)ncc3C(=O)OC(C)(C)C)C[C@H]21 ZINC001165027172 721816547 /nfs/dbraw/zinc/81/65/47/721816547.db2.gz SVGWXPDAIBFNIG-DUXKGJEZSA-N 1 1 457.018 4.822 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc(Oc4cccc(F)c4)n3)C[C@H]21 ZINC001165018826 721818197 /nfs/dbraw/zinc/81/81/97/721818197.db2.gz AOIJOWQRGIGYQP-ZLGUVYLKSA-N 1 1 468.964 4.588 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4ccn(C(=O)c5ccccc5)c4n3)C[C@H]21 ZINC001165030150 721821061 /nfs/dbraw/zinc/82/10/61/721821061.db2.gz YBKUSONOENEDNK-SKBVVQJISA-N 1 1 465.601 4.857 20 0 JJADMO CCOC(=O)c1sc2nc(C)nc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2c1C ZINC001165028911 721823033 /nfs/dbraw/zinc/82/30/33/721823033.db2.gz VVIOMEBAAMYILP-SESVDKBCSA-N 1 1 479.650 4.617 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(-c4ccccn4)nc4ccccc43)C[C@H]21 ZINC001165027791 721823940 /nfs/dbraw/zinc/82/39/40/721823940.db2.gz UCKWUHLCYOMPOL-VAPDBKPJSA-N 1 1 450.590 4.824 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(C(=O)NC4CCCC4)cc3Cl)C[C@@H]21 ZINC001165019174 721825183 /nfs/dbraw/zinc/82/51/83/721825183.db2.gz BGAIDFXNIMQNKJ-RVSNTGDXSA-N 1 1 468.045 4.539 20 0 JJADMO COc1ccc2nc(C(F)(F)N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nc(Cl)c2c1 ZINC001165026755 721825804 /nfs/dbraw/zinc/82/58/04/721825804.db2.gz QAUCNCRGQLDMRH-AQKFKSFVSA-N 1 1 487.982 4.969 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)C[C@@H]21 ZINC001165026768 721826251 /nfs/dbraw/zinc/82/62/51/721826251.db2.gz QCYDLXUVWRGMDS-HFSMHLIXSA-N 1 1 484.982 4.869 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)C[C@H]21 ZINC001165026767 721826476 /nfs/dbraw/zinc/82/64/76/721826476.db2.gz QCYDLXUVWRGMDS-FBBABVLZSA-N 1 1 484.982 4.869 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)COC(=O)Nc3cccnc3Cl)C[C@H]21 ZINC001165028224 721830296 /nfs/dbraw/zinc/83/02/96/721830296.db2.gz UYXRHOYFFAASPN-ILZDJORESA-N 1 1 479.959 4.504 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)C[C@H]21 ZINC001165027824 721832568 /nfs/dbraw/zinc/83/25/68/721832568.db2.gz UCZFXGINUQKXLY-DJIMGWMZSA-N 1 1 479.000 4.503 20 0 JJADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2ccc3cnc(Cl)nc3c2)CC1 ZINC001165020276 721842081 /nfs/dbraw/zinc/84/20/81/721842081.db2.gz BPTYYNPYPHQUDX-UHFFFAOYSA-N 1 1 476.955 4.946 20 0 JJADMO Cc1sc2nc(-c3ccccn3)nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4CCN(C)C)c2c1-c1ccccc1 ZINC001164934666 721880207 /nfs/dbraw/zinc/88/02/07/721880207.db2.gz SVZOLCMGDNUVAD-GOTSBHOMSA-N 1 1 484.673 4.943 20 0 JJADMO Cc1sc2nc(-c3ccccn3)nc(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)c2c1-c1ccccc1 ZINC001164934666 721880209 /nfs/dbraw/zinc/88/02/09/721880209.db2.gz SVZOLCMGDNUVAD-GOTSBHOMSA-N 1 1 484.673 4.943 20 0 JJADMO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc5c(n4)CCN(Cc4ccccc4)C5)CC3)C2)cc1 ZINC001164939824 721924483 /nfs/dbraw/zinc/92/44/83/721924483.db2.gz NTLYDSHTHCDJLS-UHFFFAOYSA-N 1 1 482.672 4.820 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc5c(n4)CCN(Cc4ccccc4)C5)CC3)C2)cc1 ZINC001164939824 721924488 /nfs/dbraw/zinc/92/44/88/721924488.db2.gz NTLYDSHTHCDJLS-UHFFFAOYSA-N 1 1 482.672 4.820 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncc(C(=O)NC5CCCC5)cc4Cl)CC3)C2)cc1 ZINC001164940620 721931151 /nfs/dbraw/zinc/93/11/51/721931151.db2.gz UTSDPHDHFYQDSY-UHFFFAOYSA-N 1 1 483.056 4.587 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)n1 ZINC001164949920 721967316 /nfs/dbraw/zinc/96/73/16/721967316.db2.gz ZITIEPDWXRBJGP-QDPGVEIFSA-N 1 1 491.705 4.919 20 0 JJADMO Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2CC[NH+](CCc3ccccn3)CC2)n1 ZINC001165055955 722013277 /nfs/dbraw/zinc/01/32/77/722013277.db2.gz OKDKLMAEQVTQGC-UHFFFAOYSA-N 1 1 456.981 4.619 20 0 JJADMO Fc1ccc2nc(C(F)(F)N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc(Cl)c2c1 ZINC001164952059 722016842 /nfs/dbraw/zinc/01/68/42/722016842.db2.gz GQPYAWXTDONMFT-UHFFFAOYSA-N 1 1 461.919 4.855 20 0 JJADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164956051 722021748 /nfs/dbraw/zinc/02/17/48/722021748.db2.gz VICMMLQQUJMEAL-UHFFFAOYSA-N 1 1 464.997 4.952 20 0 JJADMO CC(C)C(=O)N[C@@H]1[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5cccs5)c43)C[C@H]21 ZINC001164959407 722039769 /nfs/dbraw/zinc/03/97/69/722039769.db2.gz HTXDJWHRWGNAKI-YPGOJHLTSA-N 1 1 481.691 4.613 20 0 JJADMO O=C(Nc1cccc(Cl)c1)c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1 ZINC001164960732 722059910 /nfs/dbraw/zinc/05/99/10/722059910.db2.gz JVWBCXIQPIHUNN-UHFFFAOYSA-N 1 1 492.023 4.501 20 0 JJADMO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164962200 722060883 /nfs/dbraw/zinc/06/08/83/722060883.db2.gz POWASTANEFKOOA-UHFFFAOYSA-N 1 1 499.993 4.856 20 0 JJADMO Cc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc1 ZINC001164965600 722061860 /nfs/dbraw/zinc/06/18/60/722061860.db2.gz KZFSFWZAVUOTKX-UHFFFAOYSA-N 1 1 480.012 4.745 20 0 JJADMO Cc1cccc(Oc2nc(Cl)ncc2N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001164963200 722062174 /nfs/dbraw/zinc/06/21/74/722062174.db2.gz BANLVMNQOLDKRH-UHFFFAOYSA-N 1 1 480.012 4.745 20 0 JJADMO Cc1cncc(COCc2cnc3n2CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)[C@@H]3C)c1 ZINC001164966156 722063201 /nfs/dbraw/zinc/06/32/01/722063201.db2.gz OVLFTEXWKAVANQ-LJQANCHMSA-N 1 1 467.017 4.529 20 0 JJADMO O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164975849 722091333 /nfs/dbraw/zinc/09/13/33/722091333.db2.gz RAMRQUDKEXXJSA-DEOSSOPVSA-N 1 1 458.650 4.553 20 0 JJADMO Clc1cc2nc(Cl)c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2cc1Cl ZINC001164971440 722108271 /nfs/dbraw/zinc/10/82/71/722108271.db2.gz CLFDTTXWWZSIAE-YWZLYKJASA-N 1 1 478.811 4.712 20 0 JJADMO c1ccc(-c2cc(-c3ccccc3)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164971372 722108403 /nfs/dbraw/zinc/10/84/03/722108403.db2.gz BMKOARPYFJUVBA-UHSQPCAPSA-N 1 1 477.612 4.933 20 0 JJADMO Cc1ccc(-c2csc3ncnc(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@@H]5C4)c23)cc1 ZINC001164979128 722111570 /nfs/dbraw/zinc/11/15/70/722111570.db2.gz PDNFUZFKYFRJMQ-LADGPHEKSA-N 1 1 471.630 4.789 20 0 JJADMO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981478 722122181 /nfs/dbraw/zinc/12/21/81/722122181.db2.gz UFNUOLKORDNEOJ-JXFKEZNVSA-N 1 1 494.373 4.604 20 0 JJADMO Fc1ccc(-c2csc3ncnc(N4CC[C@@H]5C[N@@H+](Cc6cccnc6)CCO[C@@H]5C4)c23)cc1 ZINC001164985046 722138658 /nfs/dbraw/zinc/13/86/58/722138658.db2.gz YXZZDVIVEQDSBA-NFBKMPQASA-N 1 1 475.593 4.620 20 0 JJADMO c1csc(-c2nc(-c3ccccc3)cc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164984947 722147548 /nfs/dbraw/zinc/14/75/48/722147548.db2.gz YLOFOTDLRQEFJS-NOZRDPDXSA-N 1 1 483.641 4.994 20 0 JJADMO c1ccc(-c2ccc(-c3ccc(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@@H]5C4)nn3)cc2)cc1 ZINC001164978112 722147840 /nfs/dbraw/zinc/14/78/40/722147840.db2.gz JZJLZSSKCGMBHN-LMSSTIIKSA-N 1 1 477.612 4.933 20 0 JJADMO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976029 722148928 /nfs/dbraw/zinc/14/89/28/722148928.db2.gz GLEVAGWYHYPRJR-KNQAVFIVSA-N 1 1 458.940 4.555 20 0 JJADMO Clc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164977144 722154400 /nfs/dbraw/zinc/15/44/00/722154400.db2.gz XOJLNBVONLENNE-GCJKJVERSA-N 1 1 486.403 4.698 20 0 JJADMO Clc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164973847 722154611 /nfs/dbraw/zinc/15/46/11/722154611.db2.gz NCGMUYYYOGTGCF-AVRDEDQJSA-N 1 1 486.403 4.698 20 0 JJADMO Clc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164973852 722155746 /nfs/dbraw/zinc/15/57/46/722155746.db2.gz NCGMUYYYOGTGCF-XMSQKQJNSA-N 1 1 486.403 4.698 20 0 JJADMO Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164972807 722157718 /nfs/dbraw/zinc/15/77/18/722157718.db2.gz JQXHQEPMWVPDKY-XUZZJYLKSA-N 1 1 499.993 4.773 20 0 JJADMO Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164972810 722157949 /nfs/dbraw/zinc/15/79/49/722157949.db2.gz JQXHQEPMWVPDKY-ZJSXRUAMSA-N 1 1 499.993 4.773 20 0 JJADMO Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c(Cl)nn2)cc1 ZINC001164972799 722158368 /nfs/dbraw/zinc/15/83/68/722158368.db2.gz JQXHQEPMWVPDKY-QPPBQGQZSA-N 1 1 499.993 4.773 20 0 JJADMO Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CCN(c2cc(OC3CC[NH+](C)CC3)ccn2)CC1 ZINC001164990593 722189239 /nfs/dbraw/zinc/18/92/39/722189239.db2.gz LHENBBCRJWTDQE-UHFFFAOYSA-N 1 1 486.616 4.655 20 0 JJADMO CCOC(=O)c1ccc(C(F)(F)N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(Cl)n1 ZINC001164994439 722206855 /nfs/dbraw/zinc/20/68/55/722206855.db2.gz HBVSCFHMDALFSR-JOCHJYFZSA-N 1 1 467.919 4.841 20 0 JJADMO CCOC(=O)c1ccc(C(F)(F)N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c(Cl)n1 ZINC001164994439 722206857 /nfs/dbraw/zinc/20/68/57/722206857.db2.gz HBVSCFHMDALFSR-JOCHJYFZSA-N 1 1 467.919 4.841 20 0 JJADMO Cc1nc(CO[C@@H]2COC3(C2)CCN(c2ccc4c(n2)CC[N@H+](Cc2ccccc2)C4)CC3)cs1 ZINC001165006798 722272527 /nfs/dbraw/zinc/27/25/27/722272527.db2.gz QWPLEHRVAHPZMC-VWLOTQADSA-N 1 1 490.673 4.750 20 0 JJADMO CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001359715143 1064263313 /nfs/dbraw/zinc/26/33/13/1064263313.db2.gz RATBUXKSOVJYIC-WIYYLYMNSA-N 1 1 491.080 4.803 20 0 JJADMO CC(C)c1nnc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001359715739 1064264239 /nfs/dbraw/zinc/26/42/39/1064264239.db2.gz KLIAJKCTTYGZFW-CVDCTZTESA-N 1 1 474.644 4.683 20 0 JJADMO CC(C)c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001359715789 1064264687 /nfs/dbraw/zinc/26/46/87/1064264687.db2.gz LQWNANUFWDEMJX-KRWDZBQOSA-N 1 1 498.644 4.506 20 0 JJADMO CC(C)c1nnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001359716534 1064265208 /nfs/dbraw/zinc/26/52/08/1064265208.db2.gz KSBIPWCHGZKOFN-NRFANRHFSA-N 1 1 478.607 4.867 20 0 JJADMO CC(C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001359719394 1064266816 /nfs/dbraw/zinc/26/68/16/1064266816.db2.gz LDNQCCJSRXELKT-JOCHJYFZSA-N 1 1 475.685 4.833 20 0 JJADMO CC(C)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1Cc1cc(Br)cs1 ZINC001359720622 1064267995 /nfs/dbraw/zinc/26/79/95/1064267995.db2.gz YSHLIZUYFXXODS-UHFFFAOYSA-N 1 1 466.474 4.658 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545862859 1064271320 /nfs/dbraw/zinc/27/13/20/1064271320.db2.gz VLXBRBNHEOQMQR-HBMCJLEFSA-N 1 1 474.738 4.825 20 0 JJADMO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCc1ccnc(N2CCCCCC2)c1 ZINC001545865318 1064273092 /nfs/dbraw/zinc/27/30/92/1064273092.db2.gz XEJHRQIZSIMXCZ-QFIPXVFZSA-N 1 1 450.627 4.645 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(C)=C(C)C2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001545865979 1064275655 /nfs/dbraw/zinc/27/56/55/1064275655.db2.gz RHKHQIIUMQIAFQ-JOCHJYFZSA-N 1 1 468.646 4.563 20 0 JJADMO CC(C)[C@@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001359729037 1064277954 /nfs/dbraw/zinc/27/79/54/1064277954.db2.gz QXYVYEQOUKKGPJ-QGZVFWFLSA-N 1 1 464.477 4.903 20 0 JJADMO CC(C)[C@@H]1CCCN(c2nnc(-c3ccccc3Cl)n2CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001359729782 1064280324 /nfs/dbraw/zinc/28/03/24/1064280324.db2.gz HCCDVHXMWGFOFX-JOCHJYFZSA-N 1 1 473.109 4.745 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@H]2CC)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001545868649 1064280657 /nfs/dbraw/zinc/28/06/57/1064280657.db2.gz UNDBVZULVBADEH-WWPVKYPJSA-N 1 1 458.695 4.618 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1C[C@@H]1CC[C@@H](C)C1 ZINC001545870143 1064282043 /nfs/dbraw/zinc/28/20/43/1064282043.db2.gz HMNHKGKWNOKNAP-AOHZBQACSA-N 1 1 480.701 4.734 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccccc3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001545870230 1064282742 /nfs/dbraw/zinc/28/27/42/1064282742.db2.gz JHETYALOQGEZKX-FGZHOGPDSA-N 1 1 480.701 4.701 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccccc3C)C2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001545870635 1064285036 /nfs/dbraw/zinc/28/50/36/1064285036.db2.gz SASGIBNYHXQBIG-VWNXMTODSA-N 1 1 480.701 4.763 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccsc3)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001545872296 1064287668 /nfs/dbraw/zinc/28/76/68/1064287668.db2.gz MAAHPMZTFUMNRL-HXUWFJFHSA-N 1 1 486.730 4.762 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](Cc3ccccc3)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001545874147 1064289602 /nfs/dbraw/zinc/28/96/02/1064289602.db2.gz JUFYASUJXRVGMI-ISKFKSNPSA-N 1 1 494.728 4.776 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1Cc1ccc(F)cc1 ZINC001545876409 1064292868 /nfs/dbraw/zinc/29/28/68/1064292868.db2.gz ZGAZNUYVAVCDDA-NRFANRHFSA-N 1 1 498.691 4.865 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001545877515 1064293418 /nfs/dbraw/zinc/29/34/18/1064293418.db2.gz FAORQEZWDLVWFT-LJQANCHMSA-N 1 1 497.515 4.893 20 0 JJADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1csc(N(C)c2ccccc2)n1 ZINC001545880290 1064296334 /nfs/dbraw/zinc/29/63/34/1064296334.db2.gz WIAITDBHWFBPAW-OAQYLSRUSA-N 1 1 450.608 4.743 20 0 JJADMO CC(C)[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001359737746 1064299413 /nfs/dbraw/zinc/29/94/13/1064299413.db2.gz FHAPCRXOQIERBO-RBBKRZOGSA-N 1 1 487.092 4.608 20 0 JJADMO CC(C)[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001359742657 1064312066 /nfs/dbraw/zinc/31/20/66/1064312066.db2.gz SHJDDTZPNMEITR-QFIPXVFZSA-N 1 1 488.721 4.749 20 0 JJADMO CC(C)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001359743546 1064314098 /nfs/dbraw/zinc/31/40/98/1064314098.db2.gz MNJHTISLZAXZIB-UHFFFAOYSA-N 1 1 460.066 4.506 20 0 JJADMO CC(C)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001359743546 1064314115 /nfs/dbraw/zinc/31/41/15/1064314115.db2.gz MNJHTISLZAXZIB-UHFFFAOYSA-N 1 1 460.066 4.506 20 0 JJADMO CC(C)[C@@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001359744308 1064315645 /nfs/dbraw/zinc/31/56/45/1064315645.db2.gz DLKIMQXSNBXHPK-ZWKOTPCHSA-N 1 1 476.463 4.585 20 0 JJADMO CC(C)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001359745513 1064319820 /nfs/dbraw/zinc/31/98/20/1064319820.db2.gz LBHMUHBOUHXEMJ-SZPZYZBQSA-N 1 1 488.721 4.796 20 0 JJADMO CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC001359747554 1064328802 /nfs/dbraw/zinc/32/88/02/1064328802.db2.gz DOLZSHPXGLABHP-FPOVZHCZSA-N 1 1 461.054 4.509 20 0 JJADMO CC(C)[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC[N@H+]2CCC[C@@H]2C)CCS1 ZINC001359748409 1064334269 /nfs/dbraw/zinc/33/42/69/1064334269.db2.gz VDOPZTNDNOKIEN-FXAWDEMLSA-N 1 1 478.504 4.770 20 0 JJADMO CCOc1c(OC)cc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)cc1OC ZINC001434912066 1064338427 /nfs/dbraw/zinc/33/84/27/1064338427.db2.gz JAOYYEGTFBHCKO-FGZHOGPDSA-N 1 1 480.630 4.696 20 0 JJADMO Cc1ccc(NC(=O)c2cccc(F)c2OC(F)(F)F)cc1NC(=O)C[NH+]1CCCCC1 ZINC001434916364 1064343469 /nfs/dbraw/zinc/34/34/69/1064343469.db2.gz VVEUMSMUKTXULZ-UHFFFAOYSA-N 1 1 453.436 4.709 20 0 JJADMO COc1ccc(SCCCC(=O)Nc2ccc(C)c(NC(=O)C[NH+]3CCCCC3)c2)cc1 ZINC001434916580 1064343520 /nfs/dbraw/zinc/34/35/20/1064343520.db2.gz WTYFGTBHXURKOQ-UHFFFAOYSA-N 1 1 455.624 4.939 20 0 JJADMO CC(C)[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCCC(C)(C)C2)CCS1 ZINC001359756084 1064351478 /nfs/dbraw/zinc/35/14/78/1064351478.db2.gz LILDHYVBZRZWIX-QFIPXVFZSA-N 1 1 475.678 4.696 20 0 JJADMO CC(C)[C@H]1CN(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCCC(C)(C)C2)CCS1 ZINC001359756083 1064351694 /nfs/dbraw/zinc/35/16/94/1064351694.db2.gz LILDHYVBZRZWIX-JOCHJYFZSA-N 1 1 475.678 4.696 20 0 JJADMO CC(C)[C@@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001359759733 1064365613 /nfs/dbraw/zinc/36/56/13/1064365613.db2.gz LDRUGUTUCYDRRC-AHWVRZQESA-N 1 1 467.702 4.825 20 0 JJADMO C[C@H](CNC(=O)c1ccc(Br)c(OC(F)(F)F)c1)[N@H+]1CCc2ccccc2C1 ZINC001434962409 1064378323 /nfs/dbraw/zinc/37/83/23/1064378323.db2.gz OCJXBNOIQGOJER-CYBMUJFWSA-N 1 1 457.290 4.524 20 0 JJADMO CC(C)C[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2CCCC[C@H]2C1)[NH+](C)C ZINC001359766835 1064394452 /nfs/dbraw/zinc/39/44/52/1064394452.db2.gz VOKXXXPIIBWYBX-PMACEKPBSA-N 1 1 479.500 4.903 20 0 JJADMO CC(C)C[C@@H](Cn1c(C2CCCC2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC001359770017 1064400938 /nfs/dbraw/zinc/40/09/38/1064400938.db2.gz YBKHWQHLWPVODP-DHLKQENFSA-N 1 1 452.691 4.623 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@@H](C)c2cc3ccccc3o2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001359775119 1064416419 /nfs/dbraw/zinc/41/64/19/1064416419.db2.gz IVFUHBTWDSFRPJ-RTWAWAEBSA-N 1 1 453.631 4.921 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001359775402 1064418005 /nfs/dbraw/zinc/41/80/05/1064418005.db2.gz PAGBWIWRXOBOTG-FCHUYYIVSA-N 1 1 482.673 4.751 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1C[C@@](C)(O)C1CCCCC1 ZINC001359777165 1064420294 /nfs/dbraw/zinc/42/02/94/1064420294.db2.gz CGHRTFDDGMJMMQ-LBNVMWSVSA-N 1 1 467.702 4.909 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1CCOc1ncccc1F ZINC001359777743 1064422088 /nfs/dbraw/zinc/42/20/88/1064422088.db2.gz QIOTXYGULKFDOB-GGAORHGYSA-N 1 1 480.632 4.579 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001359778134 1064423122 /nfs/dbraw/zinc/42/31/22/1064423122.db2.gz ZQHCCDJWDZJDMC-MZKUHISZSA-N 1 1 453.675 4.639 20 0 JJADMO CC(C)Cc1nnc(N(C)CC2CCOCC2)n1CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001359784037 1064436177 /nfs/dbraw/zinc/43/61/77/1064436177.db2.gz PQWMUAKBVHKASG-WIOPSUGQSA-N 1 1 453.675 4.640 20 0 JJADMO CC(C)Cc1nnc(N(C)CC2CCOCC2)n1CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001359784035 1064436205 /nfs/dbraw/zinc/43/62/05/1064436205.db2.gz PQWMUAKBVHKASG-RCZVLFRGSA-N 1 1 453.675 4.640 20 0 JJADMO CC(C)Cc1nnc(N2Cc3cc(Br)ccc3[C@H](C)C2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001359793087 1064451001 /nfs/dbraw/zinc/45/10/01/1064451001.db2.gz RBNDIZOBYMIUPY-IAGOWNOFSA-N 1 1 460.464 4.846 20 0 JJADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)c3cccc(-c4ccccn4)c3C)CC2)c1C ZINC001359795012 1064453816 /nfs/dbraw/zinc/45/38/16/1064453816.db2.gz DZDJNXHOOFGAIG-UHFFFAOYSA-N 1 1 458.606 4.814 20 0 JJADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)C3(c4c(F)cccc4F)CCC3)CC2)c1C ZINC001359795907 1064454404 /nfs/dbraw/zinc/45/44/04/1064454404.db2.gz POAFAFDJWHOBBK-UHFFFAOYSA-N 1 1 457.565 4.530 20 0 JJADMO CC(C)Cc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001359799166 1064465184 /nfs/dbraw/zinc/46/51/84/1064465184.db2.gz YJZQVIBGPIDMOQ-YADHBBJMSA-N 1 1 490.737 4.871 20 0 JJADMO CN(C)C(=O)Sc1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001359799931 1064466888 /nfs/dbraw/zinc/46/68/88/1064466888.db2.gz YWRVGHDBEAVUQI-OAQYLSRUSA-N 1 1 451.514 4.853 20 0 JJADMO CC(C)Cc1nnc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001359800898 1064467823 /nfs/dbraw/zinc/46/78/23/1064467823.db2.gz MQBTVXJXCXFEFD-QFQXNSOFSA-N 1 1 471.665 4.830 20 0 JJADMO CC(C)Cc1nnc(N2CCC(c3ccccc3CO)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001359802027 1064469628 /nfs/dbraw/zinc/46/96/28/1064469628.db2.gz GJRMSBCVPWPBFN-QHCPKHFHSA-N 1 1 467.702 4.721 20 0 JJADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)c3cc(Cl)nc(C(C)(C)C)c3)CC2)c1C ZINC001435057461 1064476419 /nfs/dbraw/zinc/47/64/19/1064476419.db2.gz PLCGZHWLTHIRLV-UHFFFAOYSA-N 1 1 459.034 4.790 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001359811576 1064487757 /nfs/dbraw/zinc/48/77/57/1064487757.db2.gz RTUWWFSEAXIMCK-RPWUZVMVSA-N 1 1 498.716 4.737 20 0 JJADMO CC(C)Cc1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001359812575 1064489298 /nfs/dbraw/zinc/48/92/98/1064489298.db2.gz OIWIZPWQFWULAN-NRFANRHFSA-N 1 1 498.691 4.525 20 0 JJADMO CC(C)Cc1nnc(N2CCC(NC(=O)c3ccsc3)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001359814526 1064491985 /nfs/dbraw/zinc/49/19/85/1064491985.db2.gz JDIQOYTUVVOKMF-NRFANRHFSA-N 1 1 486.730 4.592 20 0 JJADMO CC(C)Cc1nnc(N2CCC(NC(=O)Nc3ccccc3)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001359814648 1064492837 /nfs/dbraw/zinc/49/28/37/1064492837.db2.gz MNNCEWLJLQAXOJ-QFIPXVFZSA-N 1 1 481.689 4.532 20 0 JJADMO CC(C)Cc1nnc(N2CCC(O)(c3ccccc3)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359814827 1064493760 /nfs/dbraw/zinc/49/37/60/1064493760.db2.gz BNSATRBRAWSAPG-ZRZAMGCNSA-N 1 1 467.702 4.721 20 0 JJADMO CC(C)Cc1nnc(N2CCC(OC[C@@H]3CCCCO3)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001359817507 1064500568 /nfs/dbraw/zinc/50/05/68/1064500568.db2.gz FYMFHCVXWZMTGW-UPVQGACJSA-N 1 1 475.722 4.542 20 0 JJADMO CCCc1c(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)nnn1-c1cccc(Cl)c1 ZINC001435090663 1064508235 /nfs/dbraw/zinc/50/82/35/1064508235.db2.gz KHBCLANIKNFXEP-KRWDZBQOSA-N 1 1 453.974 4.519 20 0 JJADMO C[C@@H](CNC(=O)COc1ccc2ccccc2c1Br)[N@H+]1CCc2ccccc2C1 ZINC001359828844 1064510643 /nfs/dbraw/zinc/51/06/43/1064510643.db2.gz NHPLIOHPJIQIAD-KRWDZBQOSA-N 1 1 453.380 4.544 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1CNC(=O)OC(C)(C)C ZINC001359829021 1064510880 /nfs/dbraw/zinc/51/08/80/1064510880.db2.gz PNWGPUOQCRAQRG-JWQCQUIFSA-N 1 1 465.638 4.876 20 0 JJADMO CC1(C)C[N@H+](C2(CNC(=O)C3(c4cc(F)cc(C(F)(F)F)c4)CC3)CCCCC2)CCO1 ZINC001435105358 1064515927 /nfs/dbraw/zinc/51/59/27/1064515927.db2.gz UXKIWODJUBLBQS-UHFFFAOYSA-N 1 1 456.524 4.806 20 0 JJADMO CC1(C)C[N@H+](C2(CNC(=O)COc3ccccc3Cc3ccccc3)CCCCC2)CCO1 ZINC001435105656 1064516032 /nfs/dbraw/zinc/51/60/32/1064516032.db2.gz VGYPNBLQDIJAFN-UHFFFAOYSA-N 1 1 450.623 4.586 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001359832982 1064517484 /nfs/dbraw/zinc/51/74/84/1064517484.db2.gz RQFCALBJQLHYTG-YADHBBJMSA-N 1 1 476.710 4.577 20 0 JJADMO C[NH+](C)[C@@H](C(=O)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21)c1cccc(Cl)c1 ZINC001435109825 1064519409 /nfs/dbraw/zinc/51/94/09/1064519409.db2.gz STOMDRBDFNVWMN-JOCHJYFZSA-N 1 1 458.002 4.947 20 0 JJADMO CC(C)Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1ccc(COCC(F)(F)F)cc1 ZINC001359841199 1064528221 /nfs/dbraw/zinc/52/82/21/1064528221.db2.gz GLIOWWRJEWYAOR-UHFFFAOYSA-N 1 1 481.607 4.914 20 0 JJADMO CC(C)Cc1nnc(N2CCCN(Cc3ccc(F)cc3)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001359841455 1064528556 /nfs/dbraw/zinc/52/85/56/1064528556.db2.gz OYFDKOABZALQFS-DEOSSOPVSA-N 1 1 484.708 4.983 20 0 JJADMO CC(C)Cc1nnc(N2CCCN(Cc3ccc(F)cc3)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001359841455 1064528576 /nfs/dbraw/zinc/52/85/76/1064528576.db2.gz OYFDKOABZALQFS-DEOSSOPVSA-N 1 1 484.708 4.983 20 0 JJADMO CC(C)Cc1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1CCc1cc(F)cc(F)c1 ZINC001359848737 1064534903 /nfs/dbraw/zinc/53/49/03/1064534903.db2.gz BXFMRSZJSRHWOS-SFHVURJKSA-N 1 1 459.610 4.942 20 0 JJADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)[C@H](C)C1 ZINC001435130570 1064535383 /nfs/dbraw/zinc/53/53/83/1064535383.db2.gz BCTWTZCGSIFLNQ-OFNKIYASSA-N 1 1 452.599 4.506 20 0 JJADMO CC(C)Cc1nnc(N2CCN(c3cc(Cl)cc(C(F)(F)F)c3)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001359850528 1064537222 /nfs/dbraw/zinc/53/72/22/1064537222.db2.gz WWZHHKCNMCWGHG-SFHVURJKSA-N 1 1 499.025 4.960 20 0 JJADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC2)[C@@H](C)C1 ZINC001435134451 1064538282 /nfs/dbraw/zinc/53/82/82/1064538282.db2.gz OZSIEDKFLJKZLP-FDDCHVKYSA-N 1 1 459.034 4.578 20 0 JJADMO CC(C)Cc1nnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001359851814 1064538964 /nfs/dbraw/zinc/53/89/64/1064538964.db2.gz FZUCVNUHZUPXFX-LEWJYISDSA-N 1 1 492.634 4.942 20 0 JJADMO CC(C)Cc1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1Cc1cccc(OCC(F)(F)F)c1 ZINC001359856099 1064543212 /nfs/dbraw/zinc/54/32/12/1064543212.db2.gz VYFHKFHHYLIICL-IBGZPJMESA-N 1 1 479.591 4.777 20 0 JJADMO CC(C)Cc1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359859590 1064547902 /nfs/dbraw/zinc/54/79/02/1064547902.db2.gz AJUPEXZOHZWREH-CCDWMCETSA-N 1 1 480.745 4.944 20 0 JJADMO CC(C)Cc1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001359860682 1064550141 /nfs/dbraw/zinc/55/01/41/1064550141.db2.gz KZGQOPPAUTXNMK-FMGHJNRGSA-N 1 1 466.718 4.698 20 0 JJADMO CC(C)Cc1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001359861315 1064551501 /nfs/dbraw/zinc/55/15/01/1064551501.db2.gz RCFBIMVGLYNSFV-AHWVRZQESA-N 1 1 466.718 4.555 20 0 JJADMO CC(C)Cc1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001359861315 1064551522 /nfs/dbraw/zinc/55/15/22/1064551522.db2.gz RCFBIMVGLYNSFV-AHWVRZQESA-N 1 1 466.718 4.555 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001359865800 1064556053 /nfs/dbraw/zinc/55/60/53/1064556053.db2.gz JEWJJIHSGWWLGQ-HHHXNRCGSA-N 1 1 453.675 4.566 20 0 JJADMO CN(C(=O)c1ccc(NC(=O)C2(Sc3ccccc3)CCCC2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC001435189726 1064579155 /nfs/dbraw/zinc/57/91/55/1064579155.db2.gz RPEDJIJOMIUHJC-QFIPXVFZSA-N 1 1 451.636 4.896 20 0 JJADMO CN(C(=O)c1ccc(NC(=O)C2(c3cc(F)cc(F)c3)CCCC2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC001435196097 1064584243 /nfs/dbraw/zinc/58/42/43/1064584243.db2.gz QSAPHVAGYMHAQF-QHCPKHFHSA-N 1 1 455.549 4.582 20 0 JJADMO CC(C)C[C@H]1CCN(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001359887836 1064584314 /nfs/dbraw/zinc/58/43/14/1064584314.db2.gz YOOZCSAXKGNLSJ-OAQYLSRUSA-N 1 1 457.638 4.991 20 0 JJADMO CC(C)C[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001359887821 1064584466 /nfs/dbraw/zinc/58/44/66/1064584466.db2.gz YKRMQILBKYNRAA-CWBXHPNXSA-N 1 1 488.721 4.653 20 0 JJADMO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)nn1-c1cccc(C(F)(F)F)c1 ZINC001435205985 1064591428 /nfs/dbraw/zinc/59/14/28/1064591428.db2.gz GJGIVOXQAKLFMF-LJQANCHMSA-N 1 1 456.512 4.936 20 0 JJADMO CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001359891877 1064593738 /nfs/dbraw/zinc/59/37/38/1064593738.db2.gz YQGPJQAYERELAG-HOFKKMOUSA-N 1 1 497.087 4.891 20 0 JJADMO CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001359894227 1064595029 /nfs/dbraw/zinc/59/50/29/1064595029.db2.gz MHTMIHJWIIVNQL-KJWPAHLWSA-N 1 1 475.703 4.652 20 0 JJADMO CC(C)CCCn1c(-c2ccccc2Br)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001359904522 1064619633 /nfs/dbraw/zinc/61/96/33/1064619633.db2.gz OXSAEKQAESDJLQ-UHFFFAOYSA-N 1 1 492.506 4.938 20 0 JJADMO CC(C)CCCn1c(Cc2ccc(F)cc2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001359909179 1064626239 /nfs/dbraw/zinc/62/62/39/1064626239.db2.gz TYTVXXLXTMNDEZ-BKMJKUGQSA-N 1 1 481.664 4.697 20 0 JJADMO C[C@H](NC(=O)c1ccc2cc(Br)ccc2c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435254493 1064631764 /nfs/dbraw/zinc/63/17/64/1064631764.db2.gz NCURPHUBOQKTDG-SBUREZEXSA-N 1 1 453.380 4.622 20 0 JJADMO C[C@H](NC(=O)c1ccc2cc(Br)ccc2c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435254493 1064631772 /nfs/dbraw/zinc/63/17/72/1064631772.db2.gz NCURPHUBOQKTDG-SBUREZEXSA-N 1 1 453.380 4.622 20 0 JJADMO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001435259935 1064635889 /nfs/dbraw/zinc/63/58/89/1064635889.db2.gz FIKPCKBGJVJBRJ-FUDKSRODSA-N 1 1 457.640 4.588 20 0 JJADMO CC(C)CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001359921549 1064647603 /nfs/dbraw/zinc/64/76/03/1064647603.db2.gz LRLMCAODKHYPJJ-FSSWDIPSSA-N 1 1 476.710 4.953 20 0 JJADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1sc(NC(=O)c2ccco2)cc1C ZINC001435271704 1064650504 /nfs/dbraw/zinc/65/05/04/1064650504.db2.gz HMYJCKYYIDEQMR-HXUWFJFHSA-N 1 1 451.592 4.886 20 0 JJADMO CC(C)CCN(c1nnc(-c2ccc(Br)cc2)n1CC[N@@H+]1CC=CCC1)C1CC1 ZINC001359923837 1064654358 /nfs/dbraw/zinc/65/43/58/1064654358.db2.gz XTZDPFGJKRRBKS-UHFFFAOYSA-N 1 1 458.448 4.984 20 0 JJADMO CC(C)CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCC[C@H]1C)C1CC1 ZINC001359926478 1064658884 /nfs/dbraw/zinc/65/88/84/1064658884.db2.gz PQVMOPOGKYGUJO-IRLDBZIGSA-N 1 1 474.694 4.849 20 0 JJADMO CC(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001359947305 1064695715 /nfs/dbraw/zinc/69/57/15/1064695715.db2.gz GVJMAYVERLWYAM-RBZQAINGSA-N 1 1 453.675 4.954 20 0 JJADMO COc1ccccc1O[C@H](C)CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001435323330 1064696489 /nfs/dbraw/zinc/69/64/89/1064696489.db2.gz IBKYSRVILFXRKP-CEMLEFRQSA-N 1 1 450.604 4.556 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C)OC(C)(C)C3)n2C[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC001359950689 1064706433 /nfs/dbraw/zinc/70/64/33/1064706433.db2.gz MQRVPKNJLFYFTB-SFTDATJTSA-N 1 1 469.674 4.856 20 0 JJADMO COc1ccc(-c2nc(C)c(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)s2)c(F)c1 ZINC001435339270 1064709571 /nfs/dbraw/zinc/70/95/71/1064709571.db2.gz MFCSUICILNUBFV-ZHRRBRCNSA-N 1 1 453.583 4.907 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CCC(CO)CC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001359951707 1064710784 /nfs/dbraw/zinc/71/07/84/1064710784.db2.gz CMRBNURWCRARKW-DEOSSOPVSA-N 1 1 483.701 4.699 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H]2CC=CCO2)cc1 ZINC001359952652 1064716467 /nfs/dbraw/zinc/71/64/67/1064716467.db2.gz ZHFGIPQBDZHAMJ-RUZDIDTESA-N 1 1 467.658 4.636 20 0 JJADMO Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC001435350705 1064716558 /nfs/dbraw/zinc/71/65/58/1064716558.db2.gz DHZVMKPABPBHNB-UHFFFAOYSA-N 1 1 453.546 4.600 20 0 JJADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)cc1 ZINC001435350624 1064716760 /nfs/dbraw/zinc/71/67/60/1064716760.db2.gz BMQMKPKVFODWJR-UHFFFAOYSA-N 1 1 451.954 4.600 20 0 JJADMO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001435358494 1064722679 /nfs/dbraw/zinc/72/26/79/1064722679.db2.gz COECPTVASFSFOL-DVECYGJZSA-N 1 1 457.412 4.731 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[N@H+]2CCC[C@@H]2C)cc1 ZINC001359955057 1064722795 /nfs/dbraw/zinc/72/27/95/1064722795.db2.gz PRUVHRVUVJFEAQ-UGKGYDQZSA-N 1 1 495.590 4.622 20 0 JJADMO CC(C)CCOC1CCN(c2nnc(-c3cccnc3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001359955290 1064724599 /nfs/dbraw/zinc/72/45/99/1064724599.db2.gz YZDXDXRSJACRKF-JOCHJYFZSA-N 1 1 454.663 4.636 20 0 JJADMO O=C(CSCC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccc(Cl)cc1 ZINC001435362028 1064724686 /nfs/dbraw/zinc/72/46/86/1064724686.db2.gz ROYGYHFHZPUFJN-RUZDIDTESA-N 1 1 457.039 4.771 20 0 JJADMO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccc2nc(C(F)(F)F)cn2c1 ZINC001359956977 1064725155 /nfs/dbraw/zinc/72/51/55/1064725155.db2.gz FMWUWWKRICQLIO-SFHVURJKSA-N 1 1 450.892 4.791 20 0 JJADMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccc2nc(C(F)(F)F)cn2c1 ZINC001359956977 1064725167 /nfs/dbraw/zinc/72/51/67/1064725167.db2.gz FMWUWWKRICQLIO-SFHVURJKSA-N 1 1 450.892 4.791 20 0 JJADMO CC(C)CCOCCCn1c(-c2cccc(Br)c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001359958912 1064730329 /nfs/dbraw/zinc/73/03/29/1064730329.db2.gz LRVBPQFBJPGATC-JOCHJYFZSA-N 1 1 490.490 4.835 20 0 JJADMO CC(C)CCOCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001359967324 1064742677 /nfs/dbraw/zinc/74/26/77/1064742677.db2.gz PNDSTVITUPUJOA-ZCYQVOJMSA-N 1 1 469.674 4.683 20 0 JJADMO CC(C)CN(c1nnc(-c2ccc3ccccc3n2)n1CC1CCN(CC[NH+](C)C)CC1)C(C)C ZINC001359984636 1064761972 /nfs/dbraw/zinc/76/19/72/1064761972.db2.gz BRXAFLIHIXHLER-UHFFFAOYSA-N 1 1 477.701 4.638 20 0 JJADMO CC(C)CN(c1nnc(-c2cccc(Cl)c2)n1CC1CCN(CC[NH+](C)C)CC1)C(C)C ZINC001359985725 1064764869 /nfs/dbraw/zinc/76/48/69/1064764869.db2.gz OQZKMEQFYBRTLF-UHFFFAOYSA-N 1 1 461.098 4.743 20 0 JJADMO CC(C)CN(c1nnc(-c2cccc3cccnc32)n1CC1CCN(CC[NH+](C)C)CC1)C(C)C ZINC001359986585 1064767786 /nfs/dbraw/zinc/76/77/86/1064767786.db2.gz QYOVBTPFSQHQAE-UHFFFAOYSA-N 1 1 477.701 4.638 20 0 JJADMO CC(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001359997719 1064783372 /nfs/dbraw/zinc/78/33/72/1064783372.db2.gz SXNRGWHXTVAOLS-UHFFFAOYSA-N 1 1 452.416 4.813 20 0 JJADMO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360003436 1064789475 /nfs/dbraw/zinc/78/94/75/1064789475.db2.gz XXXORONFVCTUNY-IERDGZPVSA-N 1 1 456.011 4.850 20 0 JJADMO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360003436 1064789488 /nfs/dbraw/zinc/78/94/88/1064789488.db2.gz XXXORONFVCTUNY-IERDGZPVSA-N 1 1 456.011 4.850 20 0 JJADMO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360003435 1064789761 /nfs/dbraw/zinc/78/97/61/1064789761.db2.gz XXXORONFVCTUNY-HRAATJIYSA-N 1 1 456.011 4.850 20 0 JJADMO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360003435 1064789768 /nfs/dbraw/zinc/78/97/68/1064789768.db2.gz XXXORONFVCTUNY-HRAATJIYSA-N 1 1 456.011 4.850 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)cc3)nnc2N(C)C[C@H]2CCCCO2)C1 ZINC001360007186 1064794120 /nfs/dbraw/zinc/79/41/20/1064794120.db2.gz AACNHUUCKSQKCR-NZQKXSOJSA-N 1 1 460.066 4.972 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCOC(C)(C)C2)C1 ZINC001360007540 1064795038 /nfs/dbraw/zinc/79/50/38/1064795038.db2.gz DMMWNWQTQKOSSY-SFTDATJTSA-N 1 1 473.637 4.540 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2ccoc2)C1 ZINC001360008336 1064797596 /nfs/dbraw/zinc/79/75/96/1064797596.db2.gz PNRGWSPGMSSKBP-SFHVURJKSA-N 1 1 489.462 4.644 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001360008425 1064797617 /nfs/dbraw/zinc/79/76/17/1064797617.db2.gz QWDWMXAUFJSNHW-CIAFKFPVSA-N 1 1 473.637 4.539 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cccc(Br)c3)nnc2N(C)C[C@H]2CCCO2)C1 ZINC001360008576 1064798074 /nfs/dbraw/zinc/79/80/74/1064798074.db2.gz TZNDZCSDPIVVKF-SIKLNZKXSA-N 1 1 490.490 4.691 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3ccccc3Br)nnc2N2CCCO[C@@H](C)C2)C1 ZINC001360009902 1064799678 /nfs/dbraw/zinc/79/96/78/1064799678.db2.gz HIKCWYDPEACOMG-VQTJNVASSA-N 1 1 490.490 4.691 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccccc3F)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)C1 ZINC001360010175 1064800625 /nfs/dbraw/zinc/80/06/25/1064800625.db2.gz LUXJNDUCCUGGOO-LQWHRVPQSA-N 1 1 483.554 4.608 20 0 JJADMO 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CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccccc3F)n2CCCc2nccs2)CC1 ZINC001360095347 1064969007 /nfs/dbraw/zinc/96/90/07/1064969007.db2.gz GMVXDGHMPSVIBA-UHFFFAOYSA-N 1 1 470.662 4.654 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCc3cccnc32)CC1 ZINC001360095379 1064969038 /nfs/dbraw/zinc/96/90/38/1064969038.db2.gz HJBRMGCWODKKPI-HSZRJFAPSA-N 1 1 452.691 4.938 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CC=CCC2)CC1 ZINC001360095416 1064969818 /nfs/dbraw/zinc/96/98/18/1064969818.db2.gz IHZLXPXNWKBHAO-NRFANRHFSA-N 1 1 455.622 4.909 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(CCc3ccccc3)n2CCSC(F)(F)F)CC1 ZINC001360095655 1064970141 /nfs/dbraw/zinc/97/01/41/1064970141.db2.gz MZFLJFBKKQBGKJ-UHFFFAOYSA-N 1 1 469.621 4.873 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)c2ccc(F)cc2)CC1 ZINC001360096145 1064972192 /nfs/dbraw/zinc/97/21/92/1064972192.db2.gz YXIIEEMHNIZTDZ-UHFFFAOYSA-N 1 1 478.660 4.937 20 0 JJADMO 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CC(C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 ZINC001360104730 1064985794 /nfs/dbraw/zinc/98/57/94/1064985794.db2.gz WJGIWFWHQHEART-KRWDZBQOSA-N 1 1 475.410 4.509 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 ZINC001360104732 1064985857 /nfs/dbraw/zinc/98/58/57/1064985857.db2.gz WJGIWFWHQHEART-QGZVFWFLSA-N 1 1 475.410 4.509 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCN([C@H](C)c2ccsc2)CC1 ZINC001360106477 1064988250 /nfs/dbraw/zinc/98/82/50/1064988250.db2.gz DONPIWZPIRSERC-LJQANCHMSA-N 1 1 473.090 4.883 20 0 JJADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCC(Nc2ccccc2Cl)CC1 ZINC001360109343 1064990853 /nfs/dbraw/zinc/99/08/53/1064990853.db2.gz BGZXNJFNAMKQEN-JOCHJYFZSA-N 1 1 461.054 4.594 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H]2CCCC[C@H]2C1 ZINC001360109841 1064991519 /nfs/dbraw/zinc/99/15/19/1064991519.db2.gz JPPVDCYVELQPKF-GGAORHGYSA-N 1 1 488.721 4.749 20 0 JJADMO 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CC(C)[N@H+]1CCC[C@@H](Cn2c(Cc3cccnc3)nnc2N2CCC(CC(F)(F)F)CC2)C1 ZINC001360140443 1065037782 /nfs/dbraw/zinc/03/77/82/1065037782.db2.gz DIELJSJXMGWBQJ-OAQYLSRUSA-N 1 1 464.580 4.553 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(CCOc3ccccc3)nnc2N2CCC(C(F)(F)F)CC2)C1 ZINC001360140620 1065038157 /nfs/dbraw/zinc/03/81/57/1065038157.db2.gz HOXVGLRKRYIMOC-FQEVSTJZSA-N 1 1 479.591 4.799 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2cccc(OC(F)F)c2)C1 ZINC001360140841 1065038812 /nfs/dbraw/zinc/03/88/12/1065038812.db2.gz JPFNLLLLAADMSJ-IRLDBZIGSA-N 1 1 477.600 4.878 20 0 JJADMO CC(C)(C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)c1csc(-c2cccs2)n1 ZINC001435876411 1065039605 /nfs/dbraw/zinc/03/96/05/1065039605.db2.gz WMSXLQOHCVQOEY-GOSISDBHSA-N 1 1 457.690 4.883 20 0 JJADMO CC(C)(C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)c1csc(-c2cccs2)n1 ZINC001435876411 1065039618 /nfs/dbraw/zinc/03/96/18/1065039618.db2.gz WMSXLQOHCVQOEY-GOSISDBHSA-N 1 1 457.690 4.883 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CCO[C@](C)(C(C)(C)C)C2)C1 ZINC001360141085 1065039747 /nfs/dbraw/zinc/03/97/47/1065039747.db2.gz MAYDFRHWEPOKRR-ZBLYBZFDSA-N 1 1 471.665 4.770 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)CCCCc2ccccc2)C1 ZINC001360141635 1065041196 /nfs/dbraw/zinc/04/11/96/1065041196.db2.gz QYBJIYVWSUGGIR-JWQCQUIFSA-N 1 1 453.675 4.752 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CC=C(C(F)(F)F)CC2)C1 ZINC001360142464 1065042334 /nfs/dbraw/zinc/04/23/34/1065042334.db2.gz WXCLZBZMPVYROG-GOSISDBHSA-N 1 1 481.538 4.815 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc(Br)s2)C1 ZINC001360142243 1065042387 /nfs/dbraw/zinc/04/23/87/1065042387.db2.gz VYRDSSWDVCBNLH-FUHWJXTLSA-N 1 1 482.492 4.710 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCC=C(Br)C2)C1 ZINC001360142761 1065042992 /nfs/dbraw/zinc/04/29/92/1065042992.db2.gz ZNVQVDBXGGCJLD-SFHVURJKSA-N 1 1 492.437 4.606 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccc(F)cn2)CC1 ZINC001360143456 1065043596 /nfs/dbraw/zinc/04/35/96/1065043596.db2.gz HBJNKAMNBDBKEM-UHFFFAOYSA-N 1 1 463.388 4.755 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cccc(Br)c3)n2CCCOC(F)(F)F)CC1 ZINC001360143335 1065043652 /nfs/dbraw/zinc/04/36/52/1065043652.db2.gz DUFQJBMDNAMHPX-UHFFFAOYSA-N 1 1 490.368 4.555 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCCOC2)CC1 ZINC001360143311 1065043727 /nfs/dbraw/zinc/04/37/27/1065043727.db2.gz DRNRWDDZEVKYCA-QGZVFWFLSA-N 1 1 452.430 4.599 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2ccncc2Cl)CC1 ZINC001360143570 1065043817 /nfs/dbraw/zinc/04/38/17/1065043817.db2.gz IJXIMJQWBFJWAB-UHFFFAOYSA-N 1 1 463.388 4.755 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001360143339 1065044031 /nfs/dbraw/zinc/04/40/31/1065044031.db2.gz DXLSPIOFSNXUKW-MGBGTMOVSA-N 1 1 473.731 4.710 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2sccc2Br)CC1 ZINC001360143613 1065044499 /nfs/dbraw/zinc/04/44/99/1065044499.db2.gz JYXZWCAUWBHQEZ-UHFFFAOYSA-N 1 1 495.878 4.786 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(O)CCCCCC2)CC1 ZINC001360143775 1065044651 /nfs/dbraw/zinc/04/46/51/1065044651.db2.gz LWQJWYBGALPUNJ-UHFFFAOYSA-N 1 1 477.600 4.552 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCOC[C@@H]2CCCO2)CC1 ZINC001360144204 1065045401 /nfs/dbraw/zinc/04/54/01/1065045401.db2.gz WUCFZXGHDHPCEO-FQEVSTJZSA-N 1 1 496.483 4.758 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccccc3)n2CCc2cc(C(F)(F)F)ccn2)CC1 ZINC001360144346 1065045952 /nfs/dbraw/zinc/04/59/52/1065045952.db2.gz FNOPKDXWYUXDEY-UHFFFAOYSA-N 1 1 458.532 4.522 20 0 JJADMO O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001435888826 1065046220 /nfs/dbraw/zinc/04/62/20/1065046220.db2.gz FYMMTYSKGGMBJZ-GAASDFDMSA-N 1 1 452.904 4.693 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CC=CCC2)CC1 ZINC001360144295 1065046383 /nfs/dbraw/zinc/04/63/83/1065046383.db2.gz YMYZJPJOFGPFAE-LJQANCHMSA-N 1 1 458.448 4.984 20 0 JJADMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cc2cc(Br)ccc2s1 ZINC001435889843 1065047203 /nfs/dbraw/zinc/04/72/03/1065047203.db2.gz MZWDGDHSCIWQNZ-IBGZPJMESA-N 1 1 459.409 4.685 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CC=CCC2)CC1 ZINC001360146211 1065047861 /nfs/dbraw/zinc/04/78/61/1065047861.db2.gz GNJWSCQOIJAWPC-XZOQPEGZSA-N 1 1 486.705 4.669 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCCCO3)n2Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC001360146725 1065048674 /nfs/dbraw/zinc/04/86/74/1065048674.db2.gz UKFAUMMBHNYCBF-HXUWFJFHSA-N 1 1 483.991 4.743 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC001360146697 1065048875 /nfs/dbraw/zinc/04/88/75/1065048875.db2.gz SWUKQZDUMOIACN-QHCPKHFHSA-N 1 1 498.672 4.836 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(F)cc3)n2CC2CCC(F)(F)CC2)CC1 ZINC001360147356 1065050010 /nfs/dbraw/zinc/05/00/10/1065050010.db2.gz RMHKLUDOGWESRY-UHFFFAOYSA-N 1 1 465.564 4.742 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CCC=CO2)CC1 ZINC001360147433 1065050071 /nfs/dbraw/zinc/05/00/71/1065050071.db2.gz VYBBMGDZIGADIS-FQEVSTJZSA-N 1 1 462.063 4.837 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CCC[C@H]2C)CC1 ZINC001360147302 1065050227 /nfs/dbraw/zinc/05/02/27/1065050227.db2.gz PSHVFSZVPKMKJJ-HOYKHHGWSA-N 1 1 496.483 4.636 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(F)cc3)n2CCCOC2CCCCC2)CC1 ZINC001360147508 1065050312 /nfs/dbraw/zinc/05/03/12/1065050312.db2.gz YQQIBSLNZOWJIG-UHFFFAOYSA-N 1 1 473.637 4.656 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CCC=CO2)CC1 ZINC001360147434 1065050340 /nfs/dbraw/zinc/05/03/40/1065050340.db2.gz VYBBMGDZIGADIS-HXUWFJFHSA-N 1 1 462.063 4.837 20 0 JJADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2c(C)onc2-c2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC001360150558 1065054355 /nfs/dbraw/zinc/05/43/55/1065054355.db2.gz GFNUPVRYFBFNID-HNAYVOBHSA-N 1 1 453.505 4.536 20 0 JJADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)[C@H](C)C1 ZINC001360150786 1065054901 /nfs/dbraw/zinc/05/49/01/1065054901.db2.gz LRFNWPYOXFLICR-UTKZUKDTSA-N 1 1 452.039 4.582 20 0 JJADMO CC(C)N1CC[NH+](C2CCN(c3nnc(C(C)(C)C)n3[C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)CC1 ZINC001360156169 1065057848 /nfs/dbraw/zinc/05/78/48/1065057848.db2.gz SSLJGLLPKPCANQ-CTNGQTDRSA-N 1 1 484.655 4.864 20 0 JJADMO CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2cccs2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001360163100 1065062134 /nfs/dbraw/zinc/06/21/34/1065062134.db2.gz ZFZQJXYTIJZIHC-VQIMIIECSA-N 1 1 475.062 4.632 20 0 JJADMO Cc1nc(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)nn1-c1ccccc1C(C)C ZINC001435925634 1065066616 /nfs/dbraw/zinc/06/66/16/1065066616.db2.gz NKXFIXOQORULBA-UHFFFAOYSA-N 1 1 456.388 4.776 20 0 JJADMO O=C(NC[C@@H](c1ccccc1)C(F)(F)F)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001435951832 1065078510 /nfs/dbraw/zinc/07/85/10/1065078510.db2.gz UDJWMIFXPOEHRD-NJYVYQBISA-N 1 1 459.537 4.821 20 0 JJADMO CC(C)NC(=O)c1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1C[C@H]1CCCC1(C)C ZINC001360203481 1065079617 /nfs/dbraw/zinc/07/96/17/1065079617.db2.gz GTMWGGFYMVHZEB-JTHBVZDNSA-N 1 1 472.722 4.724 20 0 JJADMO O=C(Oc1ccc(Br)c(F)c1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001360217369 1065085341 /nfs/dbraw/zinc/08/53/41/1065085341.db2.gz HOVZGWCBIXANBZ-VQTJNVASSA-N 1 1 455.327 4.804 20 0 JJADMO CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)c3ccccc3)n2CC[N@H+]2CCCC(C)(C)C2)CCOC1 ZINC001360320663 1065157205 /nfs/dbraw/zinc/15/72/05/1065157205.db2.gz DFQBWLBOTBOURB-QDPGVEIFSA-N 1 1 483.701 4.681 20 0 JJADMO C[NH+](C)Cc1ccc(NC(=O)c2cc(F)c(F)cc2I)cc1Cl ZINC001436106072 1065182850 /nfs/dbraw/zinc/18/28/50/1065182850.db2.gz XPZNTTLJLNAJBS-UHFFFAOYSA-N 1 1 450.654 4.537 20 0 JJADMO CCCc1c(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001436111085 1065186140 /nfs/dbraw/zinc/18/61/40/1065186140.db2.gz HPNNJPJFFSMDNS-JOCHJYFZSA-N 1 1 459.638 4.769 20 0 JJADMO O=C(c1ccc(OC(F)(F)F)cc1C(F)(F)F)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001436120395 1065193822 /nfs/dbraw/zinc/19/38/22/1065193822.db2.gz UEBUNDBRMKXTCE-IYBDPMFKSA-N 1 1 458.402 4.808 20 0 JJADMO CC(C)Oc1cccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CC=CCC2)c1 ZINC001360359758 1065212035 /nfs/dbraw/zinc/21/20/35/1065212035.db2.gz JQSMKIPIGLAFLE-UHFFFAOYSA-N 1 1 499.457 4.721 20 0 JJADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)c1 ZINC001436177990 1065231458 /nfs/dbraw/zinc/23/14/58/1065231458.db2.gz YXYCVMFDSCNXNT-UHFFFAOYSA-N 1 1 451.517 4.686 20 0 JJADMO CCC[N@@H+](C)[C@H](CNC(=O)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001436200756 1065247339 /nfs/dbraw/zinc/24/73/39/1065247339.db2.gz FVDFHHYNWBXXHM-PWRODBHTSA-N 1 1 452.039 4.923 20 0 JJADMO CN(C(=O)c1ccc(NC(=O)CSc2ccc(C(C)(C)C)cc2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001360387168 1065251783 /nfs/dbraw/zinc/25/17/83/1065251783.db2.gz BMYXPUOTZAXFPD-JOCHJYFZSA-N 1 1 453.652 4.881 20 0 JJADMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC001436241564 1065272355 /nfs/dbraw/zinc/27/23/55/1065272355.db2.gz LHOLCBTZGLXDRD-IBGZPJMESA-N 1 1 458.628 4.637 20 0 JJADMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC001436241564 1065272369 /nfs/dbraw/zinc/27/23/69/1065272369.db2.gz LHOLCBTZGLXDRD-IBGZPJMESA-N 1 1 458.628 4.637 20 0 JJADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC(C)(C)C(C)C)CC1 ZINC001360413415 1065276456 /nfs/dbraw/zinc/27/64/56/1065276456.db2.gz YAALKBSSJDNQAJ-UHFFFAOYSA-N 1 1 466.674 4.579 20 0 JJADMO C[C@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cc(F)c(F)cc1Cl ZINC001436259121 1065278252 /nfs/dbraw/zinc/27/82/52/1065278252.db2.gz PNHGTKNPUPSSDC-NSHDSACASA-N 1 1 458.734 4.773 20 0 JJADMO CC(C)SCCn1c(-c2cccnc2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001360417902 1065282737 /nfs/dbraw/zinc/28/27/37/1065282737.db2.gz IXVKPUGWXLXOKN-QHCPKHFHSA-N 1 1 450.656 4.583 20 0 JJADMO CC(C)SCCn1c(CCc2ccccc2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001360422951 1065290105 /nfs/dbraw/zinc/29/01/05/1065290105.db2.gz LSIVFOWOGUPFGH-ZRZAMGCNSA-N 1 1 485.742 4.531 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CC[C@H](c4cccc(Br)c4)C3)cc2)C[C@H](C)O1 ZINC001436310999 1065293935 /nfs/dbraw/zinc/29/39/35/1065293935.db2.gz IMKBIJLUDUGPBZ-SVMVAKDDSA-N 1 1 457.412 4.688 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CC[C@H](c4cccc(Br)c4)C3)cc2)C[C@H](C)O1 ZINC001436310999 1065293943 /nfs/dbraw/zinc/29/39/43/1065293943.db2.gz IMKBIJLUDUGPBZ-SVMVAKDDSA-N 1 1 457.412 4.688 20 0 JJADMO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(C2CCCC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001360428095 1065299171 /nfs/dbraw/zinc/29/91/71/1065299171.db2.gz CFALJVUDPUXDKR-RXVVDRJESA-N 1 1 461.601 4.648 20 0 JJADMO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(C2CCCC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001360428093 1065299337 /nfs/dbraw/zinc/29/93/37/1065299337.db2.gz CFALJVUDPUXDKR-GHTZIAJQSA-N 1 1 461.601 4.648 20 0 JJADMO Cc1c(C(=O)N2CC[N@H+](CCCc3ccccc3)C[C@H]2CC(C)C)nnn1-c1ccc(C)cc1 ZINC001436432822 1065318124 /nfs/dbraw/zinc/31/81/24/1065318124.db2.gz TVTHMPYVISXFNU-AREMUKBSSA-N 1 1 459.638 4.689 20 0 JJADMO CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)N1CC[N@@H+](CCCc2ccccc2)C[C@H]1CC(C)C ZINC001436432383 1065318198 /nfs/dbraw/zinc/31/81/98/1065318198.db2.gz SCNTUVRAVXKLTR-ISKFKSNPSA-N 1 1 459.675 4.824 20 0 JJADMO CCOc1ccc(C(=O)N(Cc2ccncc2)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC001436453388 1065322248 /nfs/dbraw/zinc/32/22/48/1065322248.db2.gz XVHQRTHRTZXVMN-VWLOTQADSA-N 1 1 459.590 4.796 20 0 JJADMO CC(C)(C)n1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(Br)n1 ZINC001436497252 1065335614 /nfs/dbraw/zinc/33/56/14/1065335614.db2.gz DDXFQQOFIFFSTB-YQQQUEKLSA-N 1 1 459.432 4.716 20 0 JJADMO C[C@H](c1ccccc1F)N(C)c1nnc(-c2cnccn2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001360452582 1065346645 /nfs/dbraw/zinc/34/66/45/1065346645.db2.gz OIOBMLHDGFYKKR-LJQANCHMSA-N 1 1 451.594 4.726 20 0 JJADMO C[C@@H](c1ccccc1F)N(C)c1nnc(CC(C)(C)C)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001360453338 1065348634 /nfs/dbraw/zinc/34/86/34/1065348634.db2.gz ZLOVSHODGJYLPD-QFIPXVFZSA-N 1 1 493.675 4.811 20 0 JJADMO C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC[N@@H+]1CCOCC1(C)C ZINC001360454072 1065350017 /nfs/dbraw/zinc/35/00/17/1065350017.db2.gz BZSHFJYZHVMSTE-INIZCTEOSA-N 1 1 461.969 4.639 20 0 JJADMO C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC[N@H+]1CCOCC1(C)C ZINC001360454072 1065350026 /nfs/dbraw/zinc/35/00/26/1065350026.db2.gz BZSHFJYZHVMSTE-INIZCTEOSA-N 1 1 461.969 4.639 20 0 JJADMO C[C@H](c1ccccc1F)N(C)c1nnc(Cc2cccnc2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360454177 1065350551 /nfs/dbraw/zinc/35/05/51/1065350551.db2.gz FBVGMKLLQRKVPG-HXUWFJFHSA-N 1 1 450.606 4.722 20 0 JJADMO C[C@H](c1ccccc1F)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360454441 1065352018 /nfs/dbraw/zinc/35/20/18/1065352018.db2.gz JXYHGCOQJMOCJN-LJQANCHMSA-N 1 1 498.672 4.728 20 0 JJADMO C[C@H](Cn1c(-c2ccccc2Br)nnc1N(C)[C@H](C)c1ccco1)[N@@H+](C)C1CC1 ZINC001360456614 1065356484 /nfs/dbraw/zinc/35/64/84/1065356484.db2.gz RSGDJVYKYCGRBA-HZPDHXFCSA-N 1 1 458.404 4.981 20 0 JJADMO C[C@H]1C[C@H](N(C)C(=O)c2ccccc2CNC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001360459953 1065361897 /nfs/dbraw/zinc/36/18/97/1065361897.db2.gz NNPUUGRUJFNVEA-NZQKXSOJSA-N 1 1 451.611 4.836 20 0 JJADMO C[C@@H](c1cccs1)N(C)c1nnc(-c2ccccc2Cl)n1CC[N@@H+]1CCOCC1(C)C ZINC001360462198 1065370396 /nfs/dbraw/zinc/37/03/96/1065370396.db2.gz GHQKWSSJXJYWRP-KRWDZBQOSA-N 1 1 460.047 4.968 20 0 JJADMO C[C@@H](c1cccs1)N(C)c1nnc(-c2ccccc2Cl)n1CC[N@H+]1CCOCC1(C)C ZINC001360462198 1065370407 /nfs/dbraw/zinc/37/04/07/1065370407.db2.gz GHQKWSSJXJYWRP-KRWDZBQOSA-N 1 1 460.047 4.968 20 0 JJADMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC(C)(C)O)CC1 ZINC001360465806 1065374639 /nfs/dbraw/zinc/37/46/39/1065374639.db2.gz AVKQFHZQVZJKLA-KRWDZBQOSA-N 1 1 491.608 4.652 20 0 JJADMO C[C@H](c1cccs1)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001360465782 1065374733 /nfs/dbraw/zinc/37/47/33/1065374733.db2.gz AHFZHDMAJIYFCL-XLIONFOSSA-N 1 1 487.073 4.616 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc(Br)ccc1OC(F)F ZINC001360465583 1065374787 /nfs/dbraw/zinc/37/47/87/1065374787.db2.gz WTYWQEAOOFTMKM-OAHLLOKOSA-N 1 1 453.327 4.787 20 0 JJADMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CCCOC(F)F)CC1 ZINC001360466296 1065377392 /nfs/dbraw/zinc/37/73/92/1065377392.db2.gz BUFNRANIKQZQAQ-KRWDZBQOSA-N 1 1 479.572 4.582 20 0 JJADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(-c3ccccn3)n2CCCC(F)(F)F)CC1 ZINC001360466135 1065377427 /nfs/dbraw/zinc/37/74/27/1065377427.db2.gz IWFJTAFRGRSCAL-MRXNPFEDSA-N 1 1 450.534 4.627 20 0 JJADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CCCOC(F)F)CC1 ZINC001360466298 1065377455 /nfs/dbraw/zinc/37/74/55/1065377455.db2.gz BUFNRANIKQZQAQ-QGZVFWFLSA-N 1 1 479.572 4.582 20 0 JJADMO Cc1cc(CNC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc(N2CCCC2)[nH+]1 ZINC001436578095 1065377511 /nfs/dbraw/zinc/37/75/11/1065377511.db2.gz YTIUQHSVRCAOEN-UHFFFAOYSA-N 1 1 450.583 4.608 20 0 JJADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCCOCC2CCOCC2)CC1 ZINC001360467114 1065381004 /nfs/dbraw/zinc/38/10/04/1065381004.db2.gz LLHJJYDYJPWSDL-OAQYLSRUSA-N 1 1 489.730 4.645 20 0 JJADMO C[C@H](c1ccsc1)N1CCN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001360468149 1065384059 /nfs/dbraw/zinc/38/40/59/1065384059.db2.gz YWCWFMFAUPWVLG-OAQYLSRUSA-N 1 1 472.747 4.933 20 0 JJADMO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001436598331 1065390784 /nfs/dbraw/zinc/39/07/84/1065390784.db2.gz GQLRTXLSQQCFGB-HSZRJFAPSA-N 1 1 451.014 4.925 20 0 JJADMO Cc1cc(CNC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)ccc1Br ZINC001436620319 1065400743 /nfs/dbraw/zinc/40/07/43/1065400743.db2.gz XCXGUWQPUBVPFB-HXUWFJFHSA-N 1 1 455.318 4.828 20 0 JJADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC[N@@H+](C)C1CCCCC1 ZINC001360487435 1065406465 /nfs/dbraw/zinc/40/64/65/1065406465.db2.gz XZESTIATZGCNCW-SFHVURJKSA-N 1 1 498.672 4.777 20 0 JJADMO O=C(CCc1nc2ccccc2s1)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC001436717937 1065429493 /nfs/dbraw/zinc/42/94/93/1065429493.db2.gz SMJKMDSEYMAIJV-UHFFFAOYSA-N 1 1 458.425 4.772 20 0 JJADMO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cccn2C)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001360503426 1065431517 /nfs/dbraw/zinc/43/15/17/1065431517.db2.gz LCUFBCVWUZTQRH-HYBUGGRVSA-N 1 1 464.658 4.567 20 0 JJADMO C[C@@H](CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC001360504621 1065435910 /nfs/dbraw/zinc/43/59/10/1065435910.db2.gz ABPSVSHFDBWMAL-HNNXBMFYSA-N 1 1 499.379 4.945 20 0 JJADMO C[C@@H](CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1cccs1)[N@@H+](C)Cc1ccccc1 ZINC001360504787 1065436700 /nfs/dbraw/zinc/43/67/00/1065436700.db2.gz BXIBPDMGMRJRTK-SFTDATJTSA-N 1 1 480.682 4.684 20 0 JJADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NCc3cc(Cl)cc(Br)c3)cc2)C[C@@H](C)O1 ZINC001436791849 1065441789 /nfs/dbraw/zinc/44/17/89/1065441789.db2.gz SPFJONMJQOOAGU-HUUCEWRRSA-N 1 1 451.792 4.642 20 0 JJADMO C[C@@H](CCn1c(-c2cccn2C)nnc1N1CCC=C(Br)C1)[N@@H+](C)Cc1ccccc1 ZINC001360505969 1065443017 /nfs/dbraw/zinc/44/30/17/1065443017.db2.gz YLYLAGGLVWXQQP-IBGZPJMESA-N 1 1 483.458 4.683 20 0 JJADMO C[C@@H](CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360508585 1065447293 /nfs/dbraw/zinc/44/72/93/1065447293.db2.gz FORDHJPDCGTFMV-JTHBVZDNSA-N 1 1 464.658 4.968 20 0 JJADMO C[C@H](CCn1c(C2CCC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360508733 1065448148 /nfs/dbraw/zinc/44/81/48/1065448148.db2.gz IBDYDWZKISTAIL-ZJSXRUAMSA-N 1 1 496.700 4.902 20 0 JJADMO C[C@H](CCn1c(C2CC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360509672 1065450602 /nfs/dbraw/zinc/45/06/02/1065450602.db2.gz WNJSITUJEVJWFM-OFNKIYASSA-N 1 1 482.673 4.560 20 0 JJADMO C[C@@H](CCn1c(N2CCC(OC[C@@H]3CCOC3)CC2)nnc1C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001360510225 1065452569 /nfs/dbraw/zinc/45/25/69/1065452569.db2.gz GQPPPDUZVFJGDQ-LADGPHEKSA-N 1 1 483.701 4.508 20 0 JJADMO C[C@H](CCn1c(CC2CCCC2)nnc1N1CCN(CC(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC001360510611 1065454659 /nfs/dbraw/zinc/45/46/59/1065454659.db2.gz OIPHSBFZEJSYFA-OAQYLSRUSA-N 1 1 492.634 4.606 20 0 JJADMO C[C@@H](CCn1c(N2CCC(C(=O)C(F)(F)F)CC2)nnc1C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001360511213 1065456467 /nfs/dbraw/zinc/45/64/67/1065456467.db2.gz VJOMDKYKMRVCIY-SFHVURJKSA-N 1 1 479.591 4.834 20 0 JJADMO C[C@H](CCn1c([C@H]2CCCO2)nnc1N1CCC(OC(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001360514218 1065465318 /nfs/dbraw/zinc/46/53/18/1065465318.db2.gz PMSHXHLHVBMBQK-ZJSXRUAMSA-N 1 1 469.674 4.824 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccc(C)o2)n1CC[N@@H+](C)C1CCCCC1 ZINC001545903607 1065485316 /nfs/dbraw/zinc/48/53/16/1065485316.db2.gz DSCFSQZBTWROOQ-JOCHJYFZSA-N 1 1 470.662 4.704 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2cccs2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545903623 1065485459 /nfs/dbraw/zinc/48/54/59/1065485459.db2.gz DZBSOWRNLNZDDM-RZUBCFFCSA-N 1 1 486.730 4.968 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001360519830 1065489030 /nfs/dbraw/zinc/48/90/30/1065489030.db2.gz UOIMSZWRRBGCIT-MRXNPFEDSA-N 1 1 477.476 4.744 20 0 JJADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@H](COCc3ccccc3)c3ccccc3)cc2)C[C@@H](C)O1 ZINC001360522420 1065497561 /nfs/dbraw/zinc/49/75/61/1065497561.db2.gz DKRBLLOJVTXZDI-MVOZIGHISA-N 1 1 458.602 4.984 20 0 JJADMO CC(C)N(C(=O)c1cnnn1-c1cccc(Cl)c1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001437026678 1065497851 /nfs/dbraw/zinc/49/78/51/1065497851.db2.gz FUOCBCBCPQWCIU-GOSISDBHSA-N 1 1 458.393 4.699 20 0 JJADMO CSc1ncc(C(=O)N(C(C)C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1-c1ccc(F)cc1 ZINC001437035218 1065498586 /nfs/dbraw/zinc/49/85/86/1065498586.db2.gz YAZSNARHPSFLGN-JOCHJYFZSA-N 1 1 452.599 4.858 20 0 JJADMO C[C@@H](CN(C)c1nnc(CCc2ccccc2)n1CC[N@H+]1CCCC(C)(C)C1)c1nccs1 ZINC001360526162 1065503817 /nfs/dbraw/zinc/50/38/17/1065503817.db2.gz GXAXICORUBBSJX-NRFANRHFSA-N 1 1 466.699 4.882 20 0 JJADMO C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCC1CC1)[N@@H+](C)Cc1ccccc1 ZINC001360535074 1065516173 /nfs/dbraw/zinc/51/61/73/1065516173.db2.gz KUIQCOQSQSYMIJ-GOSISDBHSA-N 1 1 485.474 4.803 20 0 JJADMO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCC1CC1)[N@@H+](C)Cc1ccccc1 ZINC001360535075 1065516267 /nfs/dbraw/zinc/51/62/67/1065516267.db2.gz KUIQCOQSQSYMIJ-SFHVURJKSA-N 1 1 485.474 4.803 20 0 JJADMO C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@H](C)c1cccs1)[NH+]1CCOCC1 ZINC001360535445 1065517254 /nfs/dbraw/zinc/51/72/54/1065517254.db2.gz DEFHCRQVYRTUBY-IAGOWNOFSA-N 1 1 477.581 4.526 20 0 JJADMO C[C@H](c1cccs1)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001360535444 1065517393 /nfs/dbraw/zinc/51/73/93/1065517393.db2.gz DEFHCRQVYRTUBY-DLBZAZTESA-N 1 1 477.581 4.526 20 0 JJADMO C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001360536049 1065517866 /nfs/dbraw/zinc/51/78/66/1065517866.db2.gz KIHXOMYHEONWRS-UWJYYQICSA-N 1 1 489.064 4.527 20 0 JJADMO C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001360536048 1065518026 /nfs/dbraw/zinc/51/80/26/1065518026.db2.gz KIHXOMYHEONWRS-UTKZUKDTSA-N 1 1 489.064 4.527 20 0 JJADMO C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CC=C(C(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001360536142 1065518598 /nfs/dbraw/zinc/51/85/98/1065518598.db2.gz VDVDHUUPAOWLEM-GOSISDBHSA-N 1 1 488.474 4.611 20 0 JJADMO C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CC=C(C(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001360536143 1065518731 /nfs/dbraw/zinc/51/87/31/1065518731.db2.gz VDVDHUUPAOWLEM-SFHVURJKSA-N 1 1 488.474 4.611 20 0 JJADMO CCC[N@@H+](Cc1ccccc1)Cc1ccc(NC(=O)/C=C/c2ccc(S(C)(=O)=O)o2)cc1 ZINC001437229468 1065523196 /nfs/dbraw/zinc/52/31/96/1065523196.db2.gz XCKWFIQCERSEOE-FYWRMAATSA-N 1 1 452.576 4.747 20 0 JJADMO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001437278210 1065528964 /nfs/dbraw/zinc/52/89/64/1065528964.db2.gz OXTCZSYWZQOFIJ-BTYIYWSLSA-N 1 1 451.792 4.651 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCCc3sccc3C2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001545906071 1065532751 /nfs/dbraw/zinc/53/27/51/1065532751.db2.gz PTLDXCKWEUZGLZ-HXUWFJFHSA-N 1 1 486.730 4.579 20 0 JJADMO CC(C)(C)c1ccc(OCCCC(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001437376461 1065544570 /nfs/dbraw/zinc/54/45/70/1065544570.db2.gz KOKNVNRXCZJOTQ-CLJLJLNGSA-N 1 1 450.623 4.645 20 0 JJADMO C[C@@H](Cn1c(C2CC2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N(C)C(=O)OC(C)(C)C ZINC001360555984 1065546452 /nfs/dbraw/zinc/54/64/52/1065546452.db2.gz ZXRSRFQLOGPEDR-REWPJTCUSA-N 1 1 482.673 4.512 20 0 JJADMO C[C@@H](Cn1c(C2CCCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360559875 1065549581 /nfs/dbraw/zinc/54/95/81/1065549581.db2.gz ODPUIVCYJWDWIB-UPVQGACJSA-N 1 1 494.728 4.835 20 0 JJADMO C[C@@H](Cn1c(C2CCCC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360559874 1065549795 /nfs/dbraw/zinc/54/97/95/1065549795.db2.gz ODPUIVCYJWDWIB-LADGPHEKSA-N 1 1 494.728 4.835 20 0 JJADMO C[C@@H](Cn1c(C2CCCC2)nnc1N1CCC[N@H+](C2CCCC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001360559809 1065549828 /nfs/dbraw/zinc/54/98/28/1065549828.db2.gz NMBCIYRPLBFHCJ-FQEVSTJZSA-N 1 1 474.694 4.646 20 0 JJADMO C[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC001360562907 1065553093 /nfs/dbraw/zinc/55/30/93/1065553093.db2.gz GFOBLEUNEQEZMW-VXKWHMMOSA-N 1 1 496.700 4.902 20 0 JJADMO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1nccs1 ZINC001360569000 1065561500 /nfs/dbraw/zinc/56/15/00/1065561500.db2.gz ICTHQNNWSZCKEI-UXHICEINSA-N 1 1 452.672 4.838 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](SC)C2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001545907392 1065565523 /nfs/dbraw/zinc/56/55/23/1065565523.db2.gz HSVGUSKVHHLWJB-BJKOFHAPSA-N 1 1 498.741 4.583 20 0 JJADMO CC[C@@]1(C(=O)Nc2nc3ccc(C[N@@H+](C)C4CC4)cc3s2)CCN(C(=O)OC(C)(C)C)C1 ZINC001437551841 1065572542 /nfs/dbraw/zinc/57/25/42/1065572542.db2.gz HPVMNCXLMRLGTO-XMMPIXPASA-N 1 1 458.628 4.866 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](C)C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545907739 1065578439 /nfs/dbraw/zinc/57/84/39/1065578439.db2.gz QLQHVRICVHWCRY-FDFHNCONSA-N 1 1 460.711 4.581 20 0 JJADMO C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(F)(F)CC1)[N@@H+](C)C1CC1 ZINC001360583540 1065581292 /nfs/dbraw/zinc/58/12/92/1065581292.db2.gz FZIUZJKKQYXXFL-SFHVURJKSA-N 1 1 461.601 4.873 20 0 JJADMO C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)c1nccs1 ZINC001360584333 1065584229 /nfs/dbraw/zinc/58/42/29/1065584229.db2.gz VPAKXOGQUOOXFA-GOSISDBHSA-N 1 1 472.634 4.567 20 0 JJADMO Cc1cc(Br)ccc1CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001360585925 1065585502 /nfs/dbraw/zinc/58/55/02/1065585502.db2.gz YIJJANOUXIHFKO-FQEVSTJZSA-N 1 1 455.318 4.828 20 0 JJADMO C[C@H](Cn1c(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)nnc1C(C)(C)C)[N@@H+](C)C1CC1 ZINC001360587532 1065589308 /nfs/dbraw/zinc/58/93/08/1065589308.db2.gz RBZXYUZGXMOBFV-HUUCEWRRSA-N 1 1 470.609 4.918 20 0 JJADMO C[C@H](Cn1c(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nnc1C(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001360588357 1065592233 /nfs/dbraw/zinc/59/22/33/1065592233.db2.gz ZRIOZQPJXGOBPG-RTWAWAEBSA-N 1 1 484.689 4.542 20 0 JJADMO C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001360591246 1065598493 /nfs/dbraw/zinc/59/84/93/1065598493.db2.gz ZNDBFFPUOCINLQ-ZJOUEHCJSA-N 1 1 474.694 4.705 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1Cc1ccc(CSC)cc1 ZINC001545909369 1065604688 /nfs/dbraw/zinc/60/46/88/1065604688.db2.gz DMOXUZMZHLAONM-UHFFFAOYSA-N 1 1 498.741 4.563 20 0 JJADMO CC(C)[C@@H]1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001360605603 1065630819 /nfs/dbraw/zinc/63/08/19/1065630819.db2.gz BANKLNPAVDGWNA-DNQXCXABSA-N 1 1 497.728 4.995 20 0 JJADMO C[C@H](CNC(=O)OC(C)(C)C)Cn1c(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)nnc1C(C)(C)C ZINC001360614998 1065661905 /nfs/dbraw/zinc/66/19/05/1065661905.db2.gz PRCPARQPRKVGAK-MOPGFXCFSA-N 1 1 490.718 4.681 20 0 JJADMO CC(F)(F)CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001360626866 1065673111 /nfs/dbraw/zinc/67/31/11/1065673111.db2.gz XEMIRBPEQMDXQM-OAHLLOKOSA-N 1 1 472.353 4.567 20 0 JJADMO CC(C)(C)OC(=O)c1ccccc1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001438121128 1065674078 /nfs/dbraw/zinc/67/40/78/1065674078.db2.gz QKEPHGTWETZQTD-DHIUTWEWSA-N 1 1 477.630 4.630 20 0 JJADMO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1 ZINC001360631232 1065680732 /nfs/dbraw/zinc/68/07/32/1065680732.db2.gz LXUDEJRXPOTVSB-QFQXNSOFSA-N 1 1 456.590 4.874 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)CSCc2cccs2)cc1 ZINC001438332010 1065710570 /nfs/dbraw/zinc/71/05/70/1065710570.db2.gz LBIMCFJNAYGEOC-BJKOFHAPSA-N 1 1 452.645 4.774 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC001438330527 1065710773 /nfs/dbraw/zinc/71/07/73/1065710773.db2.gz PTFDBGPBBXFSKT-LPHOPBHVSA-N 1 1 454.368 4.602 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)c2ccc(NC(C)=O)c(Cl)c2)cc1 ZINC001438342618 1065712795 /nfs/dbraw/zinc/71/27/95/1065712795.db2.gz UVIZPYLFZRLDPL-JYFHCDHNSA-N 1 1 477.992 4.705 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)C(C)(C)c2ccc(OC)cc2)cc1 ZINC001438342779 1065712951 /nfs/dbraw/zinc/71/29/51/1065712951.db2.gz VJRVPINAGDSCSV-RRPNLBNLSA-N 1 1 458.602 4.766 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(C2CC2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360641639 1065714065 /nfs/dbraw/zinc/71/40/65/1065714065.db2.gz LDEZNNVMLDWBQD-IRLDBZIGSA-N 1 1 496.700 4.784 20 0 JJADMO COc1cc(-n2cccc2)c(Cl)cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC001360644023 1065718325 /nfs/dbraw/zinc/71/83/25/1065718325.db2.gz KPVVOSFOYNFRQJ-UHFFFAOYSA-N 1 1 459.377 4.797 20 0 JJADMO CC[N@H+]1CC[C@@H](N(C)C(=O)CCCCCc2ccc(I)cc2)[C@H](C)C1 ZINC001360648527 1065724109 /nfs/dbraw/zinc/72/41/09/1065724109.db2.gz ROEDRTFJEZHBPA-YLJYHZDGSA-N 1 1 456.412 4.583 20 0 JJADMO Cc1cccc2cc(C(=O)Nc3ccc(C(=O)N(C)[C@H]4CCC[N@@H+](C)C4)cc3)c(Cl)nc12 ZINC001360659047 1065728707 /nfs/dbraw/zinc/72/87/07/1065728707.db2.gz TZLIICVPVLMFKL-FQEVSTJZSA-N 1 1 450.970 4.615 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1C[C@H](C)c1ccccc1 ZINC001545917176 1065735947 /nfs/dbraw/zinc/73/59/47/1065735947.db2.gz YWUZTVZCOATJHA-SFTDATJTSA-N 1 1 494.709 4.945 20 0 JJADMO Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@H](c4nc(C(F)(F)F)cs4)C3)CC2)cs1 ZINC001545917557 1065740162 /nfs/dbraw/zinc/74/01/62/1065740162.db2.gz MBTXWYGVVJFPJB-HNNXBMFYSA-N 1 1 458.575 4.545 20 0 JJADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1nc2ccccc2cc1Br ZINC001360706733 1065742740 /nfs/dbraw/zinc/74/27/40/1065742740.db2.gz MFBKHNHYIOYWJQ-IBGZPJMESA-N 1 1 452.396 4.982 20 0 JJADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2 ZINC001360706345 1065742763 /nfs/dbraw/zinc/74/27/63/1065742763.db2.gz CINZEZIDUBEFAV-IBGGVINMSA-N 1 1 469.670 4.927 20 0 JJADMO CCc1ccccc1O[C@H](C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC001360712135 1065745017 /nfs/dbraw/zinc/74/50/17/1065745017.db2.gz VIBRVPQFZUPKJX-ZGOJTZKKSA-N 1 1 458.602 4.775 20 0 JJADMO CCc1ccccc1O[C@H](C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC001360712135 1065745035 /nfs/dbraw/zinc/74/50/35/1065745035.db2.gz VIBRVPQFZUPKJX-ZGOJTZKKSA-N 1 1 458.602 4.775 20 0 JJADMO CCOC(=O)/C=C/c1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1 ZINC001438789836 1065752535 /nfs/dbraw/zinc/75/25/35/1065752535.db2.gz PTCXSEOEHCVBJV-CPQAJJPPSA-N 1 1 461.587 4.574 20 0 JJADMO CCOC(=O)/C=C\c1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1 ZINC001438789856 1065752625 /nfs/dbraw/zinc/75/26/25/1065752625.db2.gz PTCXSEOEHCVBJV-VYWQJBJSSA-N 1 1 461.587 4.574 20 0 JJADMO C[C@H]1C[C@H](N(C)C(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC001360735922 1065764641 /nfs/dbraw/zinc/76/46/41/1065764641.db2.gz ZPWXLENXCVOINC-GBXCKJPGSA-N 1 1 451.611 4.836 20 0 JJADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CC1(C)CCC1 ZINC001360736489 1065765256 /nfs/dbraw/zinc/76/52/56/1065765256.db2.gz BMYAVXLZIDCLKJ-HXUWFJFHSA-N 1 1 473.637 4.542 20 0 JJADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CC2CC(F)(F)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001360738554 1065769169 /nfs/dbraw/zinc/76/91/69/1065769169.db2.gz NQCGLZPRDKLMPP-IRXDYDNUSA-N 1 1 451.537 4.523 20 0 JJADMO CC(C)[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC1CCCC1)[NH+]1CCOCC1 ZINC001360739117 1065770511 /nfs/dbraw/zinc/77/05/11/1065770511.db2.gz QKKLMSXEIGQRIJ-RDPSFJRHSA-N 1 1 473.637 4.540 20 0 JJADMO CN(Cc1cscc1Br)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001438945012 1065770732 /nfs/dbraw/zinc/77/07/32/1065770732.db2.gz BZGUIXFKXFIXKE-LEWJYISDSA-N 1 1 470.436 4.780 20 0 JJADMO CC(C)[N@@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001360740798 1065774624 /nfs/dbraw/zinc/77/46/24/1065774624.db2.gz KQHOHJPHVYTSES-INIZCTEOSA-N 1 1 455.500 4.596 20 0 JJADMO C[N@H+]1CCC[C@@H](CNC(=O)COc2ccccc2OCc2ccccc2)[C@@H]1c1cccs1 ZINC001360742087 1065776566 /nfs/dbraw/zinc/77/65/66/1065776566.db2.gz VAXWMQCGCZHNPV-HFZDXXHNSA-N 1 1 450.604 4.905 20 0 JJADMO C[NH+](C)[C@@H](C(=O)N1CC[C@H](CNC(=O)OC(C)(C)C)c2ccccc21)c1cccc(Cl)c1 ZINC001439019623 1065778200 /nfs/dbraw/zinc/77/82/00/1065778200.db2.gz UXRILHMNNWBDQM-XMSQKQJNSA-N 1 1 458.002 4.988 20 0 JJADMO C[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC=C(Br)C1)[N@@H+](C)C1CC1 ZINC001360745575 1065785475 /nfs/dbraw/zinc/78/54/75/1065785475.db2.gz MVXYYGCXLJSGEY-HZPDHXFCSA-N 1 1 478.410 4.529 20 0 JJADMO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001439110265 1065787248 /nfs/dbraw/zinc/78/72/48/1065787248.db2.gz JJKVRPMORHWBPY-IQOKHDRSSA-N 1 1 459.403 4.747 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)COc1ccc(Br)cc1Cl ZINC001360748363 1065789690 /nfs/dbraw/zinc/78/96/90/1065789690.db2.gz WVAZEVTYMYNRCQ-INIZCTEOSA-N 1 1 451.792 4.604 20 0 JJADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001360749430 1065792033 /nfs/dbraw/zinc/79/20/33/1065792033.db2.gz DPDACBIRBINWIN-KJJMTIBFSA-N 1 1 473.637 4.825 20 0 JJADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001360749433 1065792130 /nfs/dbraw/zinc/79/21/30/1065792130.db2.gz DPDACBIRBINWIN-YUMYIRISSA-N 1 1 473.637 4.825 20 0 JJADMO CC(C)C(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001360750290 1065794728 /nfs/dbraw/zinc/79/47/28/1065794728.db2.gz VQCZJZKHJBTSDC-NZQKXSOJSA-N 1 1 473.637 4.540 20 0 JJADMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1 ZINC001439243813 1065803883 /nfs/dbraw/zinc/80/38/83/1065803883.db2.gz CUFPGVWPIXLMSK-DBXWQHBBSA-N 1 1 451.419 4.810 20 0 JJADMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)[C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1 ZINC001439243818 1065803939 /nfs/dbraw/zinc/80/39/39/1065803939.db2.gz CUFPGVWPIXLMSK-LQWHRVPQSA-N 1 1 451.419 4.810 20 0 JJADMO COc1ccc(Oc2ccc(C(=O)N[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C(F)(F)F)nc2)cc1 ZINC001439271740 1065807666 /nfs/dbraw/zinc/80/76/66/1065807666.db2.gz FRIQHWRHVFAKPA-FYYLOGMGSA-N 1 1 471.479 4.675 20 0 JJADMO COc1ccc(Oc2ccc(C(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C(F)(F)F)nc2)cc1 ZINC001439271740 1065807669 /nfs/dbraw/zinc/80/76/69/1065807669.db2.gz FRIQHWRHVFAKPA-FYYLOGMGSA-N 1 1 471.479 4.675 20 0 JJADMO C[C@@H]1CN(C(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001439272064 1065807813 /nfs/dbraw/zinc/80/78/13/1065807813.db2.gz HQQWWWLTYJBEKK-YPAWHYETSA-N 1 1 473.658 4.563 20 0 JJADMO COc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)ccc1OC1CCCC1 ZINC001439271474 1065808074 /nfs/dbraw/zinc/80/80/74/1065808074.db2.gz XDQLGGVOYQJTLQ-NHCUHLMSSA-N 1 1 462.512 4.809 20 0 JJADMO COc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)ccc1OC1CCCC1 ZINC001439271474 1065808085 /nfs/dbraw/zinc/80/80/85/1065808085.db2.gz XDQLGGVOYQJTLQ-NHCUHLMSSA-N 1 1 462.512 4.809 20 0 JJADMO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCCCCO ZINC001360757420 1065818748 /nfs/dbraw/zinc/81/87/48/1065818748.db2.gz AYBCWAFEUZRFPX-LJQANCHMSA-N 1 1 464.054 4.545 20 0 JJADMO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1nccs1 ZINC001360758394 1065824806 /nfs/dbraw/zinc/82/48/06/1065824806.db2.gz RLFYCUZUNFHQQU-QGZVFWFLSA-N 1 1 475.062 4.887 20 0 JJADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H](C(F)F)C2)n1CC[N@@H+]1CC=CCC1 ZINC001360759195 1065828531 /nfs/dbraw/zinc/82/85/31/1065828531.db2.gz YWKBTFXQULIRLL-ROUUACIJSA-N 1 1 465.976 4.815 20 0 JJADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCS[C@@H](C)[C@H]2C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001360762117 1065838090 /nfs/dbraw/zinc/83/80/90/1065838090.db2.gz ABBWHSKNHJZRGH-QYZOEREBSA-N 1 1 494.105 4.513 20 0 JJADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCS[C@@H](C)[C@H]2C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001360762117 1065838094 /nfs/dbraw/zinc/83/80/94/1065838094.db2.gz ABBWHSKNHJZRGH-QYZOEREBSA-N 1 1 494.105 4.513 20 0 JJADMO C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccccn2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001360765331 1065849810 /nfs/dbraw/zinc/84/98/10/1065849810.db2.gz PJFCIXWIIWSWKE-SFTDATJTSA-N 1 1 466.605 4.853 20 0 JJADMO C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@H]2CCCCO2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001360765556 1065850660 /nfs/dbraw/zinc/85/06/60/1065850660.db2.gz TWFYLAWXFFCFDS-BHIFYINESA-N 1 1 473.637 4.827 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1CC1(CC)CCCC1 ZINC001545923762 1065853644 /nfs/dbraw/zinc/85/36/44/1065853644.db2.gz FFHXNTINJHBLEZ-QFIPXVFZSA-N 1 1 480.701 4.878 20 0 JJADMO O=C(Cc1cc(Br)ccc1F)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001439816832 1065881239 /nfs/dbraw/zinc/88/12/39/1065881239.db2.gz DKVJJRWBWLSOAI-LADGPHEKSA-N 1 1 467.382 4.915 20 0 JJADMO CN(C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1c(F)cccc1Cl ZINC001439820334 1065882414 /nfs/dbraw/zinc/88/24/14/1065882414.db2.gz UEKPKQCIFWHGOI-NZJKTDFXSA-N 1 1 466.000 4.866 20 0 JJADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCSC[C@@H]2C)n1CC[N@@H+](C)C1CCCCC1 ZINC001360778204 1065883772 /nfs/dbraw/zinc/88/37/72/1065883772.db2.gz LTLNWAZMNPQCGL-OALUTQOASA-N 1 1 461.651 4.763 20 0 JJADMO CC(C)(C)[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001360807902 1065920094 /nfs/dbraw/zinc/92/00/94/1065920094.db2.gz BJVATOULMFVXOV-HXUWFJFHSA-N 1 1 457.638 4.991 20 0 JJADMO CC(C)(C)[C@H]1CCN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001360808464 1065921525 /nfs/dbraw/zinc/92/15/25/1065921525.db2.gz MKEIKHUOHVOPLQ-QFIPXVFZSA-N 1 1 453.675 4.894 20 0 JJADMO Cc1cccc(CC(=O)N[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c1Br ZINC001440296217 1065928973 /nfs/dbraw/zinc/92/89/73/1065928973.db2.gz LRPMAMUTEJYQGZ-HXUWFJFHSA-N 1 1 455.318 4.623 20 0 JJADMO Cc1cccc(CC(=O)N[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c1Br ZINC001440296217 1065928979 /nfs/dbraw/zinc/92/89/79/1065928979.db2.gz LRPMAMUTEJYQGZ-HXUWFJFHSA-N 1 1 455.318 4.623 20 0 JJADMO O=C(CCc1cccc(Br)c1)N[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001440299475 1065929144 /nfs/dbraw/zinc/92/91/44/1065929144.db2.gz QQZMTPJSWRCHMK-FQEVSTJZSA-N 1 1 455.318 4.705 20 0 JJADMO O=C(CCc1cccc(Br)c1)N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001440299475 1065929149 /nfs/dbraw/zinc/92/91/49/1065929149.db2.gz QQZMTPJSWRCHMK-FQEVSTJZSA-N 1 1 455.318 4.705 20 0 JJADMO O=C(N[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1cccc(OCc2cccnc2)c1 ZINC001440301418 1065929644 /nfs/dbraw/zinc/92/96/44/1065929644.db2.gz STDPCQAPZSCLJQ-DEOSSOPVSA-N 1 1 455.480 4.597 20 0 JJADMO O=C(N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1cccc(OCc2cccnc2)c1 ZINC001440301418 1065929658 /nfs/dbraw/zinc/92/96/58/1065929658.db2.gz STDPCQAPZSCLJQ-DEOSSOPVSA-N 1 1 455.480 4.597 20 0 JJADMO CN(Cc1ccccc1Br)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001440341761 1065931503 /nfs/dbraw/zinc/93/15/03/1065931503.db2.gz WGUIVKIAWYUXOK-XZOQPEGZSA-N 1 1 464.407 4.718 20 0 JJADMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](C(C)C)C2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC001440384695 1065936348 /nfs/dbraw/zinc/93/63/48/1065936348.db2.gz KQZJHIIOAGEADX-KRWDZBQOSA-N 1 1 450.004 4.508 20 0 JJADMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001440392403 1065937312 /nfs/dbraw/zinc/93/73/12/1065937312.db2.gz YYBUKDXARGEWDR-FQEVSTJZSA-N 1 1 450.004 4.508 20 0 JJADMO CC1(C)COCC[N@@H+]1CCn1c(-c2ccc(Br)s2)nnc1N1CCCCCCC1 ZINC001360830538 1065943170 /nfs/dbraw/zinc/94/31/70/1065943170.db2.gz UDPGJRIRIIMFMK-UHFFFAOYSA-N 1 1 482.492 4.650 20 0 JJADMO CC1(C)COCC[N@H+]1CCn1c(-c2ccc(Br)s2)nnc1N1CCCCCCC1 ZINC001360830538 1065943182 /nfs/dbraw/zinc/94/31/82/1065943182.db2.gz UDPGJRIRIIMFMK-UHFFFAOYSA-N 1 1 482.492 4.650 20 0 JJADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCSC2(C)C)CC1 ZINC001360832726 1065944364 /nfs/dbraw/zinc/94/43/64/1065944364.db2.gz OJOQXEUDWHMZGB-SFHVURJKSA-N 1 1 463.095 4.836 20 0 JJADMO COc1ccc(CN(C)C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1OC ZINC001440511302 1065945736 /nfs/dbraw/zinc/94/57/36/1065945736.db2.gz QGWCZOVUUMUYIK-VAVYLYDRSA-N 1 1 458.602 4.752 20 0 JJADMO C[C@H]1CCCC[N@H+]1CCCNC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC001440634079 1065956109 /nfs/dbraw/zinc/95/61/09/1065956109.db2.gz DAKBPDSYCQMXTJ-QHCPKHFHSA-N 1 1 450.623 4.695 20 0 JJADMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC001440634070 1065956161 /nfs/dbraw/zinc/95/61/61/1065956161.db2.gz DAKBPDSYCQMXTJ-HSZRJFAPSA-N 1 1 450.623 4.695 20 0 JJADMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC001440638742 1065957080 /nfs/dbraw/zinc/95/70/80/1065957080.db2.gz RVTLIHZTZREOHC-KRWDZBQOSA-N 1 1 459.432 4.508 20 0 JJADMO CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001440644872 1065957543 /nfs/dbraw/zinc/95/75/43/1065957543.db2.gz HMHZUIVZSRNPCF-GBXCKJPGSA-N 1 1 453.627 4.814 20 0 JJADMO O=C(NCCc1ccccc1)c1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001440664121 1065960622 /nfs/dbraw/zinc/96/06/22/1065960622.db2.gz FVZDVKPCXGFRJB-QHCPKHFHSA-N 1 1 459.565 4.649 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC001440678258 1065963601 /nfs/dbraw/zinc/96/36/01/1065963601.db2.gz VSSRJMDYKILKAL-YADHBBJMSA-N 1 1 451.394 4.587 20 0 JJADMO CC1=C(Br)CN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001360851253 1065963704 /nfs/dbraw/zinc/96/37/04/1065963704.db2.gz FVJAWQJESIYYNL-HNNXBMFYSA-N 1 1 464.839 4.960 20 0 JJADMO CC1=C(Br)CN(c2nnc(C3CCC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001360853337 1065969484 /nfs/dbraw/zinc/96/94/84/1065969484.db2.gz JXHFOJUOCNAIIA-KRWDZBQOSA-N 1 1 450.469 4.937 20 0 JJADMO O=C(c1cc[nH]c1)c1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC001440722644 1065970756 /nfs/dbraw/zinc/97/07/56/1065970756.db2.gz MWENPSMJFHVSJG-UHFFFAOYSA-N 1 1 455.480 4.613 20 0 JJADMO O=C(c1cc[nH]c1)c1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC001440722644 1065970771 /nfs/dbraw/zinc/97/07/71/1065970771.db2.gz MWENPSMJFHVSJG-UHFFFAOYSA-N 1 1 455.480 4.613 20 0 JJADMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC001440735920 1065972860 /nfs/dbraw/zinc/97/28/60/1065972860.db2.gz UDOPHOBMZRDBGH-KRWDZBQOSA-N 1 1 459.871 4.581 20 0 JJADMO CCC(CC)[C@@H](CNC(=O)c1cc2ccccc2n1Cc1ccccc1F)[NH+]1CCOCC1 ZINC001440811738 1065980303 /nfs/dbraw/zinc/98/03/03/1065980303.db2.gz RUCLSZSFLLWAHT-AREMUKBSSA-N 1 1 451.586 4.696 20 0 JJADMO CCC(CC)[C@@H](C(=O)NCCCN1c2ccccc2Sc2ccccc21)[NH+]1CCOCC1 ZINC001440815477 1065980876 /nfs/dbraw/zinc/98/08/76/1065980876.db2.gz DLQGCFJNBYSVDE-VWLOTQADSA-N 1 1 453.652 4.933 20 0 JJADMO Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCCC[N@@H+]2CCCC[C@H]2C)c1C ZINC001360864778 1065983159 /nfs/dbraw/zinc/98/31/59/1065983159.db2.gz IHJJGCMTMUSQJW-RCZVLFRGSA-N 1 1 496.700 4.866 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H](C)CC(N)=O)n2C[C@H]2CCC[N@H+]2C2CCCCC2)c1C ZINC001360865607 1065985062 /nfs/dbraw/zinc/98/50/62/1065985062.db2.gz FKVWSTZFRLYBFK-KIFXHHALSA-N 1 1 496.700 4.532 20 0 JJADMO Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCCCC[C@H]3NC(=O)OC(C)(C)C)CC2)cc1 ZINC001440865554 1065985234 /nfs/dbraw/zinc/98/52/34/1065985234.db2.gz PXIOVQXZFNMKIA-DNQXCXABSA-N 1 1 457.659 4.893 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)CC(F)(F)F)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC001360866150 1065987614 /nfs/dbraw/zinc/98/76/14/1065987614.db2.gz NJSCTSYHOPZNSW-NSHGMRRFSA-N 1 1 497.606 4.921 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC[N@@H+](C)C2CCCC2)c1C ZINC001360868868 1065994380 /nfs/dbraw/zinc/99/43/80/1065994380.db2.gz CBUFDASDXSGVAG-IFMALSPDSA-N 1 1 469.674 4.913 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccccn3)n2CC[N@@H+](C)C2CCCC2)c1C ZINC001360868839 1065994451 /nfs/dbraw/zinc/99/44/51/1065994451.db2.gz KPUFYOFNOIDMNZ-JOCHJYFZSA-N 1 1 462.642 4.941 20 0 JJADMO Cc1c(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cnn1CCO[C@@H]1CCCCO1 ZINC001440935361 1065995415 /nfs/dbraw/zinc/99/54/15/1065995415.db2.gz DXZGDMULXLVYAM-RUZDIDTESA-N 1 1 454.615 4.752 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H]3CCCO3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1C ZINC001360869118 1065996345 /nfs/dbraw/zinc/99/63/45/1065996345.db2.gz FBWRNRRINDEJBS-WDWDUUAGSA-N 1 1 469.674 4.771 20 0 JJADMO CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)c1ccc(C[NH+](C)C)o1 ZINC001440954352 1065996826 /nfs/dbraw/zinc/99/68/26/1065996826.db2.gz PTOWRRUSPQIKEZ-UHFFFAOYSA-N 1 1 451.523 4.643 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccon3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c1C ZINC001360869267 1065997107 /nfs/dbraw/zinc/99/71/07/1065997107.db2.gz NMLKJZVSJDXSHQ-FGZHOGPDSA-N 1 1 466.630 4.780 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1C ZINC001360869536 1065998131 /nfs/dbraw/zinc/99/81/31/1065998131.db2.gz ICSINBDBAGJYOT-RRJCBXKSSA-N 1 1 483.701 4.874 20 0 JJADMO Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001441064720 1066005407 /nfs/dbraw/zinc/00/54/07/1066005407.db2.gz ZGJTVMAHHBPTMX-INIZCTEOSA-N 1 1 458.628 4.960 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@@](C)(O)C2CC2)c1C ZINC001360872832 1066007236 /nfs/dbraw/zinc/00/72/36/1066007236.db2.gz BHLZHJKDXIENQT-RBISFHTESA-N 1 1 483.701 4.753 20 0 JJADMO CCOc1cccc(CC(=O)N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)n1 ZINC001441120219 1066009186 /nfs/dbraw/zinc/00/91/86/1066009186.db2.gz TUFQEZNPZGMIPS-UHFFFAOYSA-N 1 1 456.011 4.749 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCC(CCCO)CC3)n2CC[N@H+]2CCC[C@@H]2C)c1C ZINC001360873750 1066010702 /nfs/dbraw/zinc/01/07/02/1066010702.db2.gz KKEVLCDAHJYRAB-GMAHTHKFSA-N 1 1 469.674 4.508 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@]2(O)CCC[C@H]2C)c1C ZINC001360873980 1066011263 /nfs/dbraw/zinc/01/12/63/1066011263.db2.gz JBDHCMWADAHEMV-MOSBNWHCSA-N 1 1 483.701 4.897 20 0 JJADMO CCc1nc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nn1-c1c(Cl)cccc1Cl ZINC001441225335 1066016924 /nfs/dbraw/zinc/01/69/24/1066016924.db2.gz LINZFFSKDDXUDO-KRWDZBQOSA-N 1 1 458.393 4.531 20 0 JJADMO CC[C@@H](CNC(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2)[N@H+]1CCc2ccccc2C1 ZINC001441234291 1066017298 /nfs/dbraw/zinc/01/72/98/1066017298.db2.gz DAFGNFSPUABLJI-VMODYCNZSA-N 1 1 455.643 4.509 20 0 JJADMO CC[C@@H](CNC(=O)c1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC001441241293 1066019004 /nfs/dbraw/zinc/01/90/04/1066019004.db2.gz NTQUVEKZZVJBLE-CYFREDJKSA-N 1 1 451.611 4.839 20 0 JJADMO CCN1CC[NH+](Cc2ccc(NC(=O)c3ccccc3NC(=O)c3cccc(C)c3)cc2)CC1 ZINC001441313874 1066024957 /nfs/dbraw/zinc/02/49/57/1066024957.db2.gz QHXCTJAYASSPEB-UHFFFAOYSA-N 1 1 456.590 4.637 20 0 JJADMO CCN1CC[NH+](Cc2ccc(NC(=O)c3ccc(Oc4ccc(Cl)cn4)cc3)cc2)CC1 ZINC001441314246 1066026075 /nfs/dbraw/zinc/02/60/75/1066026075.db2.gz SNIPUQYWRSMBKC-UHFFFAOYSA-N 1 1 450.970 4.917 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CC[N@H+]4CCCC[C@H]4C3)n2CCOCCC(C)C)c1C ZINC001360878675 1066027034 /nfs/dbraw/zinc/02/70/34/1066027034.db2.gz YDOYJTLMOGGMSU-RPWUZVMVSA-N 1 1 469.674 4.772 20 0 JJADMO CSc1ncc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)n1-c1ccc(F)cc1 ZINC001441325481 1066028580 /nfs/dbraw/zinc/02/85/80/1066028580.db2.gz HOVMSHKVIWQLJO-FQEVSTJZSA-N 1 1 458.990 4.954 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)c1C ZINC001360879596 1066031331 /nfs/dbraw/zinc/03/13/31/1066031331.db2.gz MXAISNKEUHBDCM-ZYKOEDHHSA-N 1 1 469.674 4.769 20 0 JJADMO Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)O2 ZINC001441358286 1066033470 /nfs/dbraw/zinc/03/34/70/1066033470.db2.gz SQSODEUGEDRLRU-KWMCUTETSA-N 1 1 450.623 4.949 20 0 JJADMO C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)c1ccc(NC(N)=O)cc1 ZINC001441424669 1066040124 /nfs/dbraw/zinc/04/01/24/1066040124.db2.gz RPHIFUZCJBYTSH-RIEVBORMSA-N 1 1 477.008 4.924 20 0 JJADMO CC[C@@H]1[C@@H](C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)CCN1C(=O)OC(C)(C)C ZINC001441457864 1066042125 /nfs/dbraw/zinc/04/21/25/1066042125.db2.gz BXUGIHBVSOURJG-QEFHDYNCSA-N 1 1 457.659 4.816 20 0 JJADMO CC(C)c1ccc([C@@H](CNC(=O)CNC(=O)CC(C)(C)C)[N@@H+]2CCc3sccc3C2)cc1 ZINC001441463875 1066043507 /nfs/dbraw/zinc/04/35/07/1066043507.db2.gz IXTBOOYEDBBFEM-JOCHJYFZSA-N 1 1 455.668 4.640 20 0 JJADMO CC(C)c1ccc([C@@H](CNC(=O)CNC(=O)CC(C)(C)C)[N@H+]2CCc3sccc3C2)cc1 ZINC001441463875 1066043518 /nfs/dbraw/zinc/04/35/18/1066043518.db2.gz IXTBOOYEDBBFEM-JOCHJYFZSA-N 1 1 455.668 4.640 20 0 JJADMO CC1=C(C)CN(c2nnc(CSc3ccc(Cl)cc3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001360892570 1066044387 /nfs/dbraw/zinc/04/43/87/1066044387.db2.gz DKRMGPDQVYPGIJ-UHFFFAOYSA-N 1 1 489.133 4.796 20 0 JJADMO CC1=C(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001360892607 1066044861 /nfs/dbraw/zinc/04/48/61/1066044861.db2.gz FYRHIIJFVSHUBB-UHFFFAOYSA-N 1 1 481.685 4.812 20 0 JJADMO C[C@H](CNC(=O)CCc1cccc(OCc2ccccc2)c1)[NH+]1CCN(c2ccccc2)CC1 ZINC001441491815 1066046668 /nfs/dbraw/zinc/04/66/68/1066046668.db2.gz HJSTTXDYWAALEF-XMMPIXPASA-N 1 1 457.618 4.525 20 0 JJADMO COC(=O)c1ccoc1CSc1ccccc1C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001441502181 1066046897 /nfs/dbraw/zinc/04/68/97/1066046897.db2.gz VCWFXSDSSABKQK-KDURUIRLSA-N 1 1 458.624 4.846 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](F)[C@@H](c3ccccc3)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001545942656 1066048483 /nfs/dbraw/zinc/04/84/83/1066048483.db2.gz BQOPPNZUUFUNEI-TUACAJSNSA-N 1 1 498.691 4.649 20 0 JJADMO Cc1nc(N2CCN(c3nnc(CC(C)(C)C)n3CCCC[N@@H+]3CCCC[C@@H]3C)CC2)sc1C ZINC001360908009 1066063093 /nfs/dbraw/zinc/06/30/93/1066063093.db2.gz XPDFTSMHLNFRRD-FQEVSTJZSA-N 1 1 487.762 4.921 20 0 JJADMO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC(F)(F)F)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001360908412 1066064049 /nfs/dbraw/zinc/06/40/49/1066064049.db2.gz KBKJGOFQJZENSF-AWEZNQCLSA-N 1 1 464.561 4.858 20 0 JJADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1ccccc1NC(=O)OC(C)(C)C ZINC001360909663 1066065746 /nfs/dbraw/zinc/06/57/46/1066065746.db2.gz ZDBSAROXQXNFFP-JOCHJYFZSA-N 1 1 451.611 4.947 20 0 JJADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)[C@H](C)C1 ZINC001360913832 1066070259 /nfs/dbraw/zinc/07/02/59/1066070259.db2.gz KDTVIPOSRKRAKB-IERDGZPVSA-N 1 1 458.400 4.504 20 0 JJADMO Cc1ncsc1CCn1c(-c2cccc(Br)c2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001360918133 1066073608 /nfs/dbraw/zinc/07/36/08/1066073608.db2.gz JMFVLXKZEPWCHF-UHFFFAOYSA-N 1 1 489.487 4.636 20 0 JJADMO COc1cc([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)ccc1OCc1ccccc1 ZINC001441874129 1066076218 /nfs/dbraw/zinc/07/62/18/1066076218.db2.gz ZETSSTYCKRMWKA-PXDATVDWSA-N 1 1 459.590 4.901 20 0 JJADMO COc1cc([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)ccc1OCc1ccccc1 ZINC001441874129 1066076234 /nfs/dbraw/zinc/07/62/34/1066076234.db2.gz ZETSSTYCKRMWKA-PXDATVDWSA-N 1 1 459.590 4.901 20 0 JJADMO Cc1ccsc1CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001360923940 1066079951 /nfs/dbraw/zinc/07/99/51/1066079951.db2.gz GGISXWLFGYTNSW-UHFFFAOYSA-N 1 1 455.647 4.931 20 0 JJADMO C[N@@H+](Cc1ccccc1CNC(=O)c1nnn(-c2ccccc2)c1C(F)F)C1CCCCC1 ZINC001442075473 1066090125 /nfs/dbraw/zinc/09/01/25/1066090125.db2.gz BLKBYYAHTXRXDU-UHFFFAOYSA-N 1 1 453.537 4.899 20 0 JJADMO C[C@H]1C[C@@H](N(C)C(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)CC[N@H+]1C ZINC001360933638 1066091558 /nfs/dbraw/zinc/09/15/58/1066091558.db2.gz LAAPWZJNYHRADA-RDJZCZTQSA-N 1 1 453.384 4.614 20 0 JJADMO C[C@H]1C[C@H](N(C)C(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)CC[N@H+]1C ZINC001360933636 1066091584 /nfs/dbraw/zinc/09/15/84/1066091584.db2.gz LAAPWZJNYHRADA-DOTOQJQBSA-N 1 1 453.384 4.614 20 0 JJADMO Cc1cc(C(C)(C)C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)ccc1Br ZINC001442114309 1066096194 /nfs/dbraw/zinc/09/61/94/1066096194.db2.gz XZVVECMNSIGYQF-SFHVURJKSA-N 1 1 459.428 4.572 20 0 JJADMO Cc1cc(C(C)(C)C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)ccc1Br ZINC001442114309 1066096206 /nfs/dbraw/zinc/09/62/06/1066096206.db2.gz XZVVECMNSIGYQF-SFHVURJKSA-N 1 1 459.428 4.572 20 0 JJADMO Cc1ncsc1CN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001360944804 1066099839 /nfs/dbraw/zinc/09/98/39/1066099839.db2.gz JSSJZQSQRSBKIE-OAQYLSRUSA-N 1 1 474.625 4.669 20 0 JJADMO Cc1c(CN(C)c2nnc(CCCc3ccccc3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cnn1C ZINC001360947778 1066103043 /nfs/dbraw/zinc/10/30/43/1066103043.db2.gz YTLNTRCRMHNNBV-ZRZAMGCNSA-N 1 1 491.728 4.888 20 0 JJADMO Cc1ncsc1CN(C)c1nnc(COc2ccc(Cl)cc2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001360949631 1066106338 /nfs/dbraw/zinc/10/63/38/1066106338.db2.gz NERWIQCTSIBDHA-QGZVFWFLSA-N 1 1 475.062 4.644 20 0 JJADMO O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001442298799 1066112871 /nfs/dbraw/zinc/11/28/71/1066112871.db2.gz PFGBGHFZPFGJBA-VQTJNVASSA-N 1 1 476.846 4.535 20 0 JJADMO C[N@@H+](CCNC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC001442336666 1066118223 /nfs/dbraw/zinc/11/82/23/1066118223.db2.gz LDLUGRDPJIAMDP-LJQANCHMSA-N 1 1 457.537 4.652 20 0 JJADMO Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cc1OCc1csc(Br)c1 ZINC001442363373 1066120287 /nfs/dbraw/zinc/12/02/87/1066120287.db2.gz GFCOVSFGSWVWDS-INIZCTEOSA-N 1 1 451.430 4.858 20 0 JJADMO C[C@@H](NC(=O)c1ccc(Oc2ccccc2Cl)nc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360963075 1066122787 /nfs/dbraw/zinc/12/27/87/1066122787.db2.gz BGBLCZHMGGJNRJ-WZONZLPQSA-N 1 1 451.954 4.547 20 0 JJADMO C[C@@H](NC(=O)c1ccc(Oc2ccccc2Cl)nc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360963075 1066122791 /nfs/dbraw/zinc/12/27/91/1066122791.db2.gz BGBLCZHMGGJNRJ-WZONZLPQSA-N 1 1 451.954 4.547 20 0 JJADMO CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)C1 ZINC001442427262 1066126817 /nfs/dbraw/zinc/12/68/17/1066126817.db2.gz GITPVHZPPZIDAZ-KXBFYZLASA-N 1 1 458.430 4.750 20 0 JJADMO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(F)cc2nn[nH]c21)[NH+](C)C ZINC001442463124 1066127991 /nfs/dbraw/zinc/12/79/91/1066127991.db2.gz KDIFILRGGAEUEG-IBGZPJMESA-N 1 1 452.361 4.632 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001442467517 1066128538 /nfs/dbraw/zinc/12/85/38/1066128538.db2.gz MLASLEZDCAHPRX-ISKFKSNPSA-N 1 1 451.611 4.671 20 0 JJADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCCC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001360985451 1066147212 /nfs/dbraw/zinc/14/72/12/1066147212.db2.gz BBASZMLZMAIENM-QHCPKHFHSA-N 1 1 480.701 4.995 20 0 JJADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001360985874 1066149160 /nfs/dbraw/zinc/14/91/60/1066149160.db2.gz NOTATDLVPIOWFZ-NRFANRHFSA-N 1 1 452.647 4.502 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)[C@H](C)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001360990214 1066166582 /nfs/dbraw/zinc/16/65/82/1066166582.db2.gz RCKOVOFHIPYIBV-SRUXOGRHSA-N 1 1 490.092 4.627 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCOC[C@H]2C)n1CC[N@@H+](C)C1CCCC1 ZINC001360992130 1066171066 /nfs/dbraw/zinc/17/10/66/1066171066.db2.gz JAGHPTVXSFIGJB-UXHICEINSA-N 1 1 476.065 4.788 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCOCC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001360992290 1066171556 /nfs/dbraw/zinc/17/15/56/1066171556.db2.gz MLAINAIPBXIKHX-FCHUYYIVSA-N 1 1 490.092 4.893 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001360992681 1066172002 /nfs/dbraw/zinc/17/20/02/1066172002.db2.gz QYDPZJVUQPTWRX-BURNTYAHSA-N 1 1 476.065 4.786 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCSCC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001360992687 1066172336 /nfs/dbraw/zinc/17/23/36/1066172336.db2.gz RBQKWVKBZOQSKK-FXAWDEMLSA-N 1 1 478.106 4.973 20 0 JJADMO C[N@H+]1CCC[C@@H](CNC(=O)CCCOc2ccccc2Br)[C@H]1c1cccs1 ZINC001360996030 1066174866 /nfs/dbraw/zinc/17/48/66/1066174866.db2.gz BAXNMTFSMPNLMC-KKSFZXQISA-N 1 1 451.430 4.869 20 0 JJADMO Cc1cc([C@@](C)(O)Cn2c(N3CC[NH+]([C@H](C)c4ccsc4)CC3)nnc2C(C)(C)C)c(C)o1 ZINC001361002977 1066179985 /nfs/dbraw/zinc/17/99/85/1066179985.db2.gz LVNINHYOWHSXGF-CJAUYULYSA-N 1 1 471.671 4.638 20 0 JJADMO C[N@@H+](CCN(Cc1ccccc1)C(=O)C[C@@H]1CCC2(CCOCC2)CO1)Cc1ccccc1 ZINC001361013197 1066198801 /nfs/dbraw/zinc/19/88/01/1066198801.db2.gz DIUULPPQZBVNSZ-SANMLTNESA-N 1 1 450.623 4.513 20 0 JJADMO C[N@@H+](CCN(Cc1ccccc1)C(=O)c1nc(F)ccc1Br)Cc1ccccc1 ZINC001361013302 1066198841 /nfs/dbraw/zinc/19/88/41/1066198841.db2.gz HIYLLXYYKNUBJP-UHFFFAOYSA-N 1 1 456.359 4.758 20 0 JJADMO Cc1csc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001361020865 1066211751 /nfs/dbraw/zinc/21/17/51/1066211751.db2.gz KWQFOKSHIASZLW-RUZDIDTESA-N 1 1 497.709 4.837 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N(C)C[C@H]3CCCOC3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361022567 1066218801 /nfs/dbraw/zinc/21/88/01/1066218801.db2.gz VHRMRYSGQUBTST-DSNGMDLFSA-N 1 1 483.701 4.705 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC(CC(F)(F)F)CC3)n2CC[N@H+](C)C(C)C)c1 ZINC001361026425 1066226026 /nfs/dbraw/zinc/22/60/26/1066226026.db2.gz BMLKKLPTPBUIHI-UHFFFAOYSA-N 1 1 467.580 4.983 20 0 JJADMO CCCN(C(=O)C[C@](O)(c1ccc(C)o1)C(F)(F)F)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001442869053 1066234746 /nfs/dbraw/zinc/23/47/46/1066234746.db2.gz JFQLKOOCVFMOFW-OFNKIYASSA-N 1 1 452.517 4.631 20 0 JJADMO Cc1cc(O[C@@H](C)C(=O)N2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)ccc1C(C)C ZINC001454015146 1066235330 /nfs/dbraw/zinc/23/53/30/1066235330.db2.gz QQXPLLPQVLSHJL-SQJMNOBHSA-N 1 1 453.627 4.801 20 0 JJADMO CC[C@]1(C)CC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)O1 ZINC001546056716 1066235929 /nfs/dbraw/zinc/23/59/29/1066235929.db2.gz JBJLZLCNRYBWNQ-WIOPSUGQSA-N 1 1 459.704 4.835 20 0 JJADMO CCCN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001442879734 1066235918 /nfs/dbraw/zinc/23/59/18/1066235918.db2.gz QVUSEFYTBHEWGL-XZOQPEGZSA-N 1 1 457.659 4.783 20 0 JJADMO CC[C@]1(C)CC[C@H](Cn2c(Cc3ccsc3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)O1 ZINC001546056714 1066236111 /nfs/dbraw/zinc/23/61/11/1066236111.db2.gz JBJLZLCNRYBWNQ-RCZVLFRGSA-N 1 1 459.704 4.835 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC1CCN(C(=O)[C@@H](CC)c2ccccc2)CC1 ZINC001442924640 1066241900 /nfs/dbraw/zinc/24/19/00/1066241900.db2.gz OPBJHUGOCYNYNI-FPNNDXFKSA-N 1 1 475.677 4.836 20 0 JJADMO CC[C@]1(C)CC[C@H](Cn2c(CCCc3ccccc3)nnc2N2CCC[N@H+](C(C)C)CC2)O1 ZINC001546057621 1066243590 /nfs/dbraw/zinc/24/35/90/1066243590.db2.gz VJTGTGVIGIPOMY-SHQCIBLASA-N 1 1 453.675 4.722 20 0 JJADMO Cc1nc(CN2CCC(C(=O)N3CC(C)(C)[N@@H+](Cc4ccccc4)CC3(C)C)CC2)cs1 ZINC001454116368 1066246809 /nfs/dbraw/zinc/24/68/09/1066246809.db2.gz JIOKKRWREXSVTQ-UHFFFAOYSA-N 1 1 454.684 4.565 20 0 JJADMO CC(C)(C)OC(=O)N1CCC(CC(=O)N2CC(C)(C)[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC001454113973 1066247020 /nfs/dbraw/zinc/24/70/20/1066247020.db2.gz CHSUTTAVZJJICJ-UHFFFAOYSA-N 1 1 457.659 4.925 20 0 JJADMO CC1(C)C[N@@H+](Cc2ccccc2)C(C)(C)CN1C(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC001454122565 1066247851 /nfs/dbraw/zinc/24/78/51/1066247851.db2.gz WSPRNRWBTDSIRL-JOCHJYFZSA-N 1 1 454.014 4.595 20 0 JJADMO CC1(C)C[N@@H+](Cc2ccccc2)C(C)(C)CN1C(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC001454122568 1066248461 /nfs/dbraw/zinc/24/84/61/1066248461.db2.gz WSPRNRWBTDSIRL-QFIPXVFZSA-N 1 1 454.014 4.595 20 0 JJADMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1nc(Br)sc1Cl ZINC001454124715 1066248792 /nfs/dbraw/zinc/24/87/92/1066248792.db2.gz XJVFISVHVVQESJ-CQSZACIVSA-N 1 1 454.821 4.591 20 0 JJADMO CC(C)(C)OC(=O)NCC1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1 ZINC001443012586 1066253418 /nfs/dbraw/zinc/25/34/18/1066253418.db2.gz QLUSVZDJCBMTQL-LOSJGSFVSA-N 1 1 469.670 4.688 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CC[N@H+](C4CCC4)C[C@@H](C)C3)n2CCC(C)(F)F)c1 ZINC001361035283 1066253830 /nfs/dbraw/zinc/25/38/30/1066253830.db2.gz BQDBNIGWFQYQIU-HXUWFJFHSA-N 1 1 461.601 4.830 20 0 JJADMO Cc1cccc(COc2ccc([C@H](C)NC(=O)c3ccc(C[NH+]4CCN(C)CC4)cc3)cc2)c1 ZINC001443093316 1066266061 /nfs/dbraw/zinc/26/60/61/1066266061.db2.gz AOWQAZCXRWQXQX-QHCPKHFHSA-N 1 1 457.618 4.812 20 0 JJADMO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)[C@H](F)CN(Cc3ccccc3)Cc3ccccc3)C2)c1 ZINC001454308022 1066267899 /nfs/dbraw/zinc/26/78/99/1066267899.db2.gz DKQZMYNPYDXOJO-VSGBNLITSA-N 1 1 459.609 4.726 20 0 JJADMO CCn1nc(C(F)(F)F)c(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1C(F)F ZINC001443102072 1066268682 /nfs/dbraw/zinc/26/86/82/1066268682.db2.gz KYFTXYGZYWWFDQ-UHFFFAOYSA-N 1 1 458.475 4.844 20 0 JJADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2cc3cccc(C(F)(F)F)c3[nH]c2=O)CC1 ZINC001443102056 1066268942 /nfs/dbraw/zinc/26/89/42/1066268942.db2.gz KSUDYLXALJNXTA-UHFFFAOYSA-N 1 1 457.496 4.943 20 0 JJADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2cc(OC(F)F)cc(OC(F)F)c2)CC1 ZINC001443108981 1066270109 /nfs/dbraw/zinc/27/01/09/1066270109.db2.gz UKVUFMBDDLDXQU-UHFFFAOYSA-N 1 1 454.464 4.874 20 0 JJADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)NC(=O)OC(C)(C)C)CC1 ZINC001443109699 1066270188 /nfs/dbraw/zinc/27/01/88/1066270188.db2.gz VADZLDKLTNBUGT-WNCULLNHSA-N 1 1 457.659 4.831 20 0 JJADMO Cc1cc(-c2nnc(N(C)CCC(F)(F)F)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c2ccccc2n1 ZINC001361045689 1066270998 /nfs/dbraw/zinc/27/09/98/1066270998.db2.gz FVUPXDOFLVEDSI-LJQANCHMSA-N 1 1 490.574 4.547 20 0 JJADMO Cc1cc(-c2nnc(N(C)CC(F)(F)F)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)c2ccccc2n1 ZINC001361046094 1066274489 /nfs/dbraw/zinc/27/44/89/1066274489.db2.gz VFOZDIRGQIKMPD-WMZOPIPTSA-N 1 1 460.548 4.921 20 0 JJADMO Cc1cc(-c2nnc(N(C)CCCCCO)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)c2ccccc2n1 ZINC001361048798 1066278883 /nfs/dbraw/zinc/27/88/83/1066278883.db2.gz JPWDOCFEVGEHHB-NRFANRHFSA-N 1 1 478.685 4.911 20 0 JJADMO Cc1cc(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@H+]2CCC[C@H](C)C2)no1 ZINC001361053190 1066288416 /nfs/dbraw/zinc/28/84/16/1066288416.db2.gz BMPCIWHXMGPBOS-HKUYNNGSSA-N 1 1 473.021 4.736 20 0 JJADMO Cc1cccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001361053476 1066288811 /nfs/dbraw/zinc/28/88/11/1066288811.db2.gz JJFWPTXGQVGEJE-LBNVMWSVSA-N 1 1 483.701 4.632 20 0 JJADMO Cc1cc(CN(C)c2nnc(-c3ccc(Br)cc3Cl)n2CC[N@H+](C)C(C)C)no1 ZINC001361055425 1066293775 /nfs/dbraw/zinc/29/37/75/1066293775.db2.gz WRHIHSIVJRKVJM-UHFFFAOYSA-N 1 1 481.826 4.634 20 0 JJADMO Cc1cccc(CN(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@H]2C)c1 ZINC001361060155 1066299627 /nfs/dbraw/zinc/29/96/27/1066299627.db2.gz KQPQNCTZJNGSBI-VWNXMTODSA-N 1 1 496.700 4.822 20 0 JJADMO CC(C)(C)c1ccc(C(=O)NCC(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)cc1 ZINC001443357368 1066300325 /nfs/dbraw/zinc/30/03/25/1066300325.db2.gz NZJVBNNUHWIGIG-HSZRJFAPSA-N 1 1 456.030 4.538 20 0 JJADMO COc1ccc(CCCCC(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)cc1OC ZINC001443386842 1066304935 /nfs/dbraw/zinc/30/49/35/1066304935.db2.gz OBUGNYMWZDMAQB-UHFFFAOYSA-N 1 1 450.583 4.918 20 0 JJADMO Cc1cc(CN(C)c2nnc(CSc3ccc(Cl)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)no1 ZINC001361066272 1066305735 /nfs/dbraw/zinc/30/57/35/1066305735.db2.gz FZEBFSWIPIKOHM-QGZVFWFLSA-N 1 1 475.062 4.889 20 0 JJADMO CC[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545958364 1066309037 /nfs/dbraw/zinc/30/90/37/1066309037.db2.gz BMOWFBZHMNXWRH-IOMROCGXSA-N 1 1 489.064 4.575 20 0 JJADMO CC[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C)NC(=O)OC(C)(C)C ZINC001545958363 1066309186 /nfs/dbraw/zinc/30/91/86/1066309186.db2.gz BMOWFBZHMNXWRH-DUXKGJEZSA-N 1 1 489.064 4.575 20 0 JJADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2oc3ccccc3c2CSc2cccs2)CC1 ZINC001443430896 1066310252 /nfs/dbraw/zinc/31/02/52/1066310252.db2.gz PQOFBXQYNMLTHR-GOSISDBHSA-N 1 1 457.665 4.790 20 0 JJADMO C[NH+]1CCN([C@H](CNC(=O)c2cccnc2SCC2CCCCC2)c2cccs2)CC1 ZINC001443436582 1066311209 /nfs/dbraw/zinc/31/12/09/1066311209.db2.gz VDWGINRVAYNGMA-OAQYLSRUSA-N 1 1 458.697 4.534 20 0 JJADMO Cc1cc(Cn2c(Cc3ccc(F)cc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)cs1 ZINC001361080239 1066319329 /nfs/dbraw/zinc/31/93/29/1066319329.db2.gz ARXUFEYSULZGPL-UHFFFAOYSA-N 1 1 455.647 4.983 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H](C)[C@@H](C)C2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001361087221 1066325506 /nfs/dbraw/zinc/32/55/06/1066325506.db2.gz CGEDHCSDAZQUCS-SLFFLAALSA-N 1 1 460.066 4.826 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H](C)[C@H](C)C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001361087223 1066325575 /nfs/dbraw/zinc/32/55/75/1066325575.db2.gz CGEDHCSDAZQUCS-ZCNNSNEGSA-N 1 1 460.066 4.826 20 0 JJADMO O=C(N[C@@H](CO)c1cccc(C(F)(F)F)c1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001454731850 1066327951 /nfs/dbraw/zinc/32/79/51/1066327951.db2.gz QJJGNLSXBKHFGC-VSKRKVRLSA-N 1 1 474.548 4.832 20 0 JJADMO CC[N@@H+](Cc1ccc(C(=O)N(C)C[C@H](O)COc2cc(Cl)cc(Cl)c2)cc1)C(C)C ZINC001454739363 1066329353 /nfs/dbraw/zinc/32/93/53/1066329353.db2.gz KLPMPBBEIOJSQY-NRFANRHFSA-N 1 1 453.410 4.736 20 0 JJADMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3cc(Br)cnc3Br)c2C1 ZINC001546065123 1066331130 /nfs/dbraw/zinc/33/11/30/1066331130.db2.gz FJJCDMMYRXEMBQ-UHFFFAOYSA-N 1 1 453.178 4.831 20 0 JJADMO CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001546066095 1066339417 /nfs/dbraw/zinc/33/94/17/1066339417.db2.gz GTOABWWCIJIQQM-SIBVEZHUSA-N 1 1 455.647 4.850 20 0 JJADMO CCCOc1ccccc1C(=O)CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001454896994 1066340391 /nfs/dbraw/zinc/34/03/91/1066340391.db2.gz WRBKVQLIAAOPJD-DHIUTWEWSA-N 1 1 462.615 4.752 20 0 JJADMO COc1ccc(-c2nc(CC(=O)NCc3cccc(C[N@@H+](C)C(C)C)c3)cs2)cc1OC ZINC001443638832 1066342999 /nfs/dbraw/zinc/34/29/99/1066342999.db2.gz BJGMIUMEJOHFPZ-UHFFFAOYSA-N 1 1 453.608 4.526 20 0 JJADMO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H](C)Oc3ccc(Cl)cc3Br)C2)cc1 ZINC001455005931 1066351594 /nfs/dbraw/zinc/35/15/94/1066351594.db2.gz ABGRPQPZRANWBX-MAUKXSAKSA-N 1 1 451.792 4.569 20 0 JJADMO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H](C)Oc3ccc(Cl)cc3Br)C2)cc1 ZINC001455005937 1066352016 /nfs/dbraw/zinc/35/20/16/1066352016.db2.gz ABGRPQPZRANWBX-YJBOKZPZSA-N 1 1 451.792 4.569 20 0 JJADMO C[C@H](CC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001443697392 1066352336 /nfs/dbraw/zinc/35/23/36/1066352336.db2.gz GAUXPEVJIZIQRX-KCZVDYSFSA-N 1 1 459.631 4.692 20 0 JJADMO C[C@H](CC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001443697395 1066352385 /nfs/dbraw/zinc/35/23/85/1066352385.db2.gz GAUXPEVJIZIQRX-URVUXULASA-N 1 1 459.631 4.692 20 0 JJADMO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C2)cc1 ZINC001455012590 1066353494 /nfs/dbraw/zinc/35/34/94/1066353494.db2.gz PVHASTWWMYLSJM-FGCOXFRFSA-N 1 1 451.611 4.588 20 0 JJADMO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cc(Br)cc(Br)c3)C2)cc1 ZINC001455015520 1066353650 /nfs/dbraw/zinc/35/36/50/1066353650.db2.gz VWYXTJYBVNTDBO-GOSISDBHSA-N 1 1 452.190 4.524 20 0 JJADMO O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001443714057 1066355931 /nfs/dbraw/zinc/35/59/31/1066355931.db2.gz BPQFKYOLPIUALS-NRFANRHFSA-N 1 1 454.014 4.859 20 0 JJADMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccccc1NC(=O)c1cccc(Br)c1 ZINC001443765449 1066363773 /nfs/dbraw/zinc/36/37/73/1066363773.db2.gz USVQYNRSFVVHGO-IBGZPJMESA-N 1 1 458.400 4.696 20 0 JJADMO Cc1nc(Cc2nnc(N(C)CCOc3cccc(C)c3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC001361112846 1066364137 /nfs/dbraw/zinc/36/41/37/1066364137.db2.gz ADWNXZLNCBQXNQ-JOCHJYFZSA-N 1 1 482.698 4.578 20 0 JJADMO O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC001443767280 1066365071 /nfs/dbraw/zinc/36/50/71/1066365071.db2.gz KTWRUNCKBVZNAN-CVEARBPZSA-N 1 1 453.332 4.822 20 0 JJADMO CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C)Oc1cccc(F)c1 ZINC001545962367 1066367997 /nfs/dbraw/zinc/36/79/97/1066367997.db2.gz BIQNLEAADXVTHR-BBTUJRGHSA-N 1 1 455.578 4.762 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N(C)Cc3ccon3)n2CC[N@H+]2CCC[C@H](C)C2)c1 ZINC001361123552 1066373807 /nfs/dbraw/zinc/37/38/07/1066373807.db2.gz FCQUKWVWSSFNJU-NRFANRHFSA-N 1 1 466.630 4.645 20 0 JJADMO Cc1ccoc1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001361123742 1066374916 /nfs/dbraw/zinc/37/49/16/1066374916.db2.gz LPADYGUTFHJWQC-UHFFFAOYSA-N 1 1 495.668 4.786 20 0 JJADMO Cc1ccoc1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001361123742 1066374930 /nfs/dbraw/zinc/37/49/30/1066374930.db2.gz LPADYGUTFHJWQC-UHFFFAOYSA-N 1 1 495.668 4.786 20 0 JJADMO Cc1noc(C)c1CN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCn1cc[nH+]c1C ZINC001361124130 1066377473 /nfs/dbraw/zinc/37/74/73/1066377473.db2.gz XRRKZRAZMAUETC-UHFFFAOYSA-N 1 1 477.613 4.735 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N(C)CC(F)(F)F)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001361124147 1066377626 /nfs/dbraw/zinc/37/76/26/1066377626.db2.gz YJAGORLQMSAPAL-OAQYLSRUSA-N 1 1 497.606 4.644 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)CC(C)(C)C3)n2CCC[NH+]2CCOCC2)c1 ZINC001361125729 1066379204 /nfs/dbraw/zinc/37/92/04/1066379204.db2.gz BOYFDJPKHIURPT-HSZRJFAPSA-N 1 1 483.701 4.884 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2CCC[NH+]2CCOCC2)c1 ZINC001361125730 1066379315 /nfs/dbraw/zinc/37/93/15/1066379315.db2.gz BOYFDJPKHIURPT-QHCPKHFHSA-N 1 1 483.701 4.884 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(c4ccnn4C)CC3)n2CC[N@H+](C)C(C)C)c1 ZINC001361125864 1066380141 /nfs/dbraw/zinc/38/01/41/1066380141.db2.gz GCHLUCVKBHNCIA-UHFFFAOYSA-N 1 1 493.700 4.747 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](C)[C@@H](C)C3)n2C[C@@H]2CCC[N@H+]2CCCO)c1 ZINC001361125915 1066380774 /nfs/dbraw/zinc/38/07/74/1066380774.db2.gz HHDIWYPWJYQCKM-HJOGWXRNSA-N 1 1 483.701 4.618 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)[C@@H](C)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001361126371 1066384157 /nfs/dbraw/zinc/38/41/57/1066384157.db2.gz QVAGSQTYVJLCOK-HJOGWXRNSA-N 1 1 483.701 4.738 20 0 JJADMO O=C(NCCCCC[NH+]1CCCCC1)c1ccsc1NC(=O)c1ccc(Cl)cc1O ZINC001444084894 1066403274 /nfs/dbraw/zinc/40/32/74/1066403274.db2.gz VHPIZKKGUVJJFA-UHFFFAOYSA-N 1 1 450.004 4.745 20 0 JJADMO O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(OCc2ccccc2)cn1 ZINC001444127367 1066410303 /nfs/dbraw/zinc/41/03/03/1066410303.db2.gz DBNTYWXPVOXPAN-NRFANRHFSA-N 1 1 455.480 4.684 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H](C)c2ccc(C)cc2)o1 ZINC001361136217 1066410411 /nfs/dbraw/zinc/41/04/11/1066410411.db2.gz WCPDTPCNBWDLTB-FCEUIQTBSA-N 1 1 451.615 4.504 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H](C)c2ccc(C)cc2)o1 ZINC001361136217 1066410414 /nfs/dbraw/zinc/41/04/14/1066410414.db2.gz WCPDTPCNBWDLTB-FCEUIQTBSA-N 1 1 451.615 4.504 20 0 JJADMO CN(Cc1ccc(Cl)cc1Oc1cc(Cl)ccc1Cl)C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001455580685 1066412429 /nfs/dbraw/zinc/41/24/29/1066412429.db2.gz FIJVSKYBHTZUTK-IERDGZPVSA-N 1 1 457.785 4.853 20 0 JJADMO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)Nc3ccc(CNC(=O)c4ccc(C(F)(F)F)cc4)cc3)C[N@H+]2C1 ZINC001444176514 1066425428 /nfs/dbraw/zinc/42/54/28/1066425428.db2.gz PIJWPGUGQCACKK-PERKRYKHSA-N 1 1 459.512 4.694 20 0 JJADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C2(CNC(=O)OCc3ccccc3)CCCC2)C1 ZINC001444178387 1066426351 /nfs/dbraw/zinc/42/63/51/1066426351.db2.gz VKZIMHRHVMWTRK-ISKFKSNPSA-N 1 1 455.643 4.586 20 0 JJADMO CN(C(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC001444212506 1066430031 /nfs/dbraw/zinc/43/00/31/1066430031.db2.gz UQBFZBFMHKNGIN-QFIPXVFZSA-N 1 1 450.970 4.754 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)CC(F)(F)F)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001361145881 1066430249 /nfs/dbraw/zinc/43/02/49/1066430249.db2.gz LUIDVZYFNGLPTD-UHFFFAOYSA-N 1 1 453.553 4.594 20 0 JJADMO Cc1c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)cnn1-c1cc(C)ccc1C ZINC001455804797 1066433640 /nfs/dbraw/zinc/43/36/40/1066433640.db2.gz AOLCTKLHUGNZJA-FGZHOGPDSA-N 1 1 456.512 4.590 20 0 JJADMO Cc1c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)cnn1-c1cc(C)ccc1C ZINC001455804797 1066433658 /nfs/dbraw/zinc/43/36/58/1066433658.db2.gz AOLCTKLHUGNZJA-FGZHOGPDSA-N 1 1 456.512 4.590 20 0 JJADMO C[N@@H+](CCOc1ccccc1)Cc1ccc(NC(=O)[C@@]2(C(=O)OC(C)(C)C)CC2(C)C)cc1 ZINC001455811656 1066435908 /nfs/dbraw/zinc/43/59/08/1066435908.db2.gz QCBDJDLDCHCVQF-HHHXNRCGSA-N 1 1 452.595 4.894 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CC2CCCCC2)c1 ZINC001361149312 1066439421 /nfs/dbraw/zinc/43/94/21/1066439421.db2.gz QNLHAXKAVFXVQS-UHFFFAOYSA-N 1 1 469.674 4.601 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CC2CCCCC2)c1 ZINC001361149312 1066439429 /nfs/dbraw/zinc/43/94/29/1066439429.db2.gz QNLHAXKAVFXVQS-UHFFFAOYSA-N 1 1 469.674 4.601 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)CC3COC(C)(C)OC3)n2CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001361149354 1066439534 /nfs/dbraw/zinc/43/95/34/1066439534.db2.gz SAPMXDXBRQMIFG-QHCPKHFHSA-N 1 1 499.700 4.574 20 0 JJADMO CCOC(=O)[C@@H](C[C@@H](C)CC)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001455828119 1066439657 /nfs/dbraw/zinc/43/96/57/1066439657.db2.gz MWRNRLJYRAHYDA-JSKMBAMBSA-N 1 1 450.623 4.695 20 0 JJADMO C[C@H]1C[C@H](N(C)C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)CC[N@H+]1Cc1ccccc1 ZINC001444292812 1066444025 /nfs/dbraw/zinc/44/40/25/1066444025.db2.gz HGUGYANGLPIGHF-GHTZIAJQSA-N 1 1 453.583 4.864 20 0 JJADMO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)CC[N@H+]1Cc1ccccc1 ZINC001444292854 1066444855 /nfs/dbraw/zinc/44/48/55/1066444855.db2.gz HGUGYANGLPIGHF-WIYYLYMNSA-N 1 1 453.583 4.864 20 0 JJADMO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC23CCCC3)CC[N@H+]1Cc1ccccc1 ZINC001444300355 1066445357 /nfs/dbraw/zinc/44/53/57/1066445357.db2.gz QIASISMJRTXHSX-MZYLBHOOSA-N 1 1 455.643 4.678 20 0 JJADMO C[C@H](NC(=O)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1)[C@H]1C[N@@H+](C)CCN1C ZINC001444401638 1066458259 /nfs/dbraw/zinc/45/82/59/1066458259.db2.gz DIPMSLRSKNSSMW-DLVCFXQMSA-N 1 1 452.451 4.577 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCC2CCOCC2)c1 ZINC001361158950 1066462535 /nfs/dbraw/zinc/46/25/35/1066462535.db2.gz JXLZZKQDIAALMY-UHFFFAOYSA-N 1 1 469.674 4.601 20 0 JJADMO Cc1cc(C)cc(-n2nc(-c3ccc(Br)o3)cc2NC(=O)[C@H]2CCCC[N@H+]2C)c1 ZINC001444502332 1066468811 /nfs/dbraw/zinc/46/88/11/1066468811.db2.gz JERRVEJXXLRTRS-GOSISDBHSA-N 1 1 457.372 4.934 20 0 JJADMO Cc1cc(C)cc(-n2nc(-c3ccc(Br)o3)cc2NC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001444502332 1066468813 /nfs/dbraw/zinc/46/88/13/1066468813.db2.gz JERRVEJXXLRTRS-GOSISDBHSA-N 1 1 457.372 4.934 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCSC(C)(C)C3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001361164048 1066474018 /nfs/dbraw/zinc/47/40/18/1066474018.db2.gz UFILFCMVLJRUDT-UNMCSNQZSA-N 1 1 471.715 4.926 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCSC(C)(C)C3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001361164047 1066474061 /nfs/dbraw/zinc/47/40/61/1066474061.db2.gz UFILFCMVLJRUDT-RBBKRZOGSA-N 1 1 471.715 4.926 20 0 JJADMO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1 ZINC001456017652 1066475762 /nfs/dbraw/zinc/47/57/62/1066475762.db2.gz KQBIYCVLEIPCBL-SXOMAYOGSA-N 1 1 455.602 4.716 20 0 JJADMO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1 ZINC001456017652 1066475770 /nfs/dbraw/zinc/47/57/70/1066475770.db2.gz KQBIYCVLEIPCBL-SXOMAYOGSA-N 1 1 455.602 4.716 20 0 JJADMO Cc1ccc(C2(C)CCN(c3nnc(C(C)(C)C)n3CCC[N@H+]3CCCO[C@@H](C)C3)CC2)cc1 ZINC001361165046 1066476504 /nfs/dbraw/zinc/47/65/04/1066476504.db2.gz CQTQKRWSNKLCIN-QHCPKHFHSA-N 1 1 467.702 4.943 20 0 JJADMO O=C(Nc1cccc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1)c1ccco1 ZINC001456027024 1066481580 /nfs/dbraw/zinc/48/15/80/1066481580.db2.gz FLFAPVVPWYZJMY-QFIPXVFZSA-N 1 1 451.954 4.970 20 0 JJADMO O=C(Nc1cccc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1)c1ccco1 ZINC001456027024 1066481589 /nfs/dbraw/zinc/48/15/89/1066481589.db2.gz FLFAPVVPWYZJMY-QFIPXVFZSA-N 1 1 451.954 4.970 20 0 JJADMO O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1cc(Br)cnc1Cl ZINC001456030754 1066483037 /nfs/dbraw/zinc/48/30/37/1066483037.db2.gz QBDFXEXTYSWTJE-MRXNPFEDSA-N 1 1 457.199 4.935 20 0 JJADMO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1cc(Br)cnc1Cl ZINC001456030754 1066483040 /nfs/dbraw/zinc/48/30/40/1066483040.db2.gz QBDFXEXTYSWTJE-MRXNPFEDSA-N 1 1 457.199 4.935 20 0 JJADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)C[C@H]1C ZINC001444622556 1066485242 /nfs/dbraw/zinc/48/52/42/1066485242.db2.gz XXYJGNVZPAIDPQ-IIBYNOLFSA-N 1 1 458.400 4.646 20 0 JJADMO Cc1ccc(-c2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2CCCC[N@H+]2CCC[C@H]2CO)o1 ZINC001361171174 1066486361 /nfs/dbraw/zinc/48/63/61/1066486361.db2.gz SDENLEKKYXZYSK-QUCCMNQESA-N 1 1 473.568 4.559 20 0 JJADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)C3(c4ccccc4Cl)CCC3)CC2)c1C ZINC001456039001 1066487876 /nfs/dbraw/zinc/48/78/76/1066487876.db2.gz PVQOEVZUWHRMAQ-UHFFFAOYSA-N 1 1 456.030 4.905 20 0 JJADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)CO[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)CC2)c1C ZINC001456041788 1066488903 /nfs/dbraw/zinc/48/89/03/1066488903.db2.gz WYSRFPKCQIEQOI-DNVKUUNQSA-N 1 1 459.675 4.607 20 0 JJADMO COC(=O)C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccc(C(C)(C)C)cc1 ZINC001444660394 1066489573 /nfs/dbraw/zinc/48/95/73/1066489573.db2.gz DXVPDAGYRACGQO-URXFXBBRSA-N 1 1 454.586 4.756 20 0 JJADMO Cc1ccc(N2CCC(C(=O)NCC3(c4ccc(Br)cc4)CCCC3)CC2)[nH+]c1 ZINC001444665553 1066490331 /nfs/dbraw/zinc/49/03/31/1066490331.db2.gz BNCUWDYPVOHYQX-UHFFFAOYSA-N 1 1 456.428 4.997 20 0 JJADMO Cc1ccc(-c2nnc(N(C)C[C@@H](C)c3nccs3)n2CC[N@@H+](C)Cc2ccc(F)cc2)o1 ZINC001361175076 1066491672 /nfs/dbraw/zinc/49/16/72/1066491672.db2.gz BKOAXPNBKXJVMA-QGZVFWFLSA-N 1 1 468.602 4.814 20 0 JJADMO C[C@@H](CNC(=O)c1cccc(CSc2c(Cl)cccc2Cl)c1)C[NH+]1CCOCC1 ZINC001444686502 1066492788 /nfs/dbraw/zinc/49/27/88/1066492788.db2.gz ODQNWHOFWQSRHL-INIZCTEOSA-N 1 1 453.435 4.984 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2CCCCn2cc[nH+]c2C)o1 ZINC001361175967 1066493679 /nfs/dbraw/zinc/49/36/79/1066493679.db2.gz ZPVGXIJODZMDEK-UHFFFAOYSA-N 1 1 481.988 4.560 20 0 JJADMO COC(=O)C[C@@H](NC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccc(C(C)(C)C)cc1 ZINC001444692828 1066493752 /nfs/dbraw/zinc/49/37/52/1066493752.db2.gz XJOHLXKIRQQWPR-UKILVPOCSA-N 1 1 450.623 4.659 20 0 JJADMO Cc1ncsc1CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001361177712 1066497089 /nfs/dbraw/zinc/49/70/89/1066497089.db2.gz NSEFFRKUDKHBCW-INIZCTEOSA-N 1 1 489.487 4.902 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3cccc(Cl)c3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001361178743 1066499551 /nfs/dbraw/zinc/49/95/51/1066499551.db2.gz RFCBGZXEBWEDHD-KDURUIRLSA-N 1 1 458.006 4.636 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3ccc(Cl)s3)n2CCC[N@H+]2CCCO[C@@H](C)C2)o1 ZINC001361179003 1066499985 /nfs/dbraw/zinc/49/99/85/1066499985.db2.gz WWFOLBMOWNRAGS-KRWDZBQOSA-N 1 1 464.035 4.699 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3nccs3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC001361181310 1066502884 /nfs/dbraw/zinc/50/28/84/1066502884.db2.gz IZUWTYIZFWVTND-SFHVURJKSA-N 1 1 450.612 4.850 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3cnc(C)s3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC001361181747 1066504250 /nfs/dbraw/zinc/50/42/50/1066504250.db2.gz VQFINCZFMCZCHF-KRWDZBQOSA-N 1 1 450.612 4.768 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCC(C)C)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1Br ZINC001361184253 1066506962 /nfs/dbraw/zinc/50/69/62/1066506962.db2.gz DDQRKKSMYNZQIG-HXUWFJFHSA-N 1 1 492.506 4.999 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCc3ccc(Br)cc3)n2CC[N@H+](C)C(C)C)o1 ZINC001361187187 1066511042 /nfs/dbraw/zinc/51/10/42/1066511042.db2.gz IGWSUTVKMSVPTI-UHFFFAOYSA-N 1 1 460.420 4.628 20 0 JJADMO CC[C@@]1(C)CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546079624 1066513191 /nfs/dbraw/zinc/51/31/91/1066513191.db2.gz QJHUBHJSGHSXPQ-UNVFRBQDSA-N 1 1 473.637 4.510 20 0 JJADMO O=C(c1c(Cl)nc2ccccn21)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001444868954 1066514642 /nfs/dbraw/zinc/51/46/42/1066514642.db2.gz UHFONFPBBXSRTG-QGZVFWFLSA-N 1 1 450.892 4.514 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCN(C)c3ccccc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)o1 ZINC001361188781 1066514712 /nfs/dbraw/zinc/51/47/12/1066514712.db2.gz YJDPJWTUDNVLTH-SFTDATJTSA-N 1 1 450.631 4.540 20 0 JJADMO Nc1c(C(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)cccc1C(F)(F)F ZINC001444871262 1066515260 /nfs/dbraw/zinc/51/52/60/1066515260.db2.gz YFZQQCFRQOCLAF-INIZCTEOSA-N 1 1 459.434 4.814 20 0 JJADMO C[C@H]1CCN(C(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)CC[N@H+]1Cc1ccccc1 ZINC001444902961 1066517379 /nfs/dbraw/zinc/51/73/79/1066517379.db2.gz GYGCNQWHBKAZEN-JEYPMZLKSA-N 1 1 455.643 4.679 20 0 JJADMO Cc1ccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1Br ZINC001361194842 1066521460 /nfs/dbraw/zinc/52/14/60/1066521460.db2.gz XUSKSMHYAXUWRZ-SFHVURJKSA-N 1 1 490.490 4.894 20 0 JJADMO Cc1nc(C[NH+]2CCC(C(=O)Nc3cc(Br)cc(OC(C)C)c3)CC2)cs1 ZINC001444954815 1066522011 /nfs/dbraw/zinc/52/20/11/1066522011.db2.gz RXNXXXRUSWDCNX-UHFFFAOYSA-N 1 1 452.418 4.852 20 0 JJADMO COC(=O)CCc1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1 ZINC001456152707 1066524596 /nfs/dbraw/zinc/52/45/96/1066524596.db2.gz WVFQXSANSVZRKO-GGXMVOPNSA-N 1 1 456.586 4.821 20 0 JJADMO Cc1nc(C[NH+]2CCC(C(=O)NC(C)(C)Cc3cccc(Br)c3)CC2)cs1 ZINC001444993214 1066527425 /nfs/dbraw/zinc/52/74/25/1066527425.db2.gz UGCMSRUHCSHELX-UHFFFAOYSA-N 1 1 450.446 4.564 20 0 JJADMO Cn1c(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)ccc1-c1ccc(Br)cc1 ZINC001445036712 1066531452 /nfs/dbraw/zinc/53/14/52/1066531452.db2.gz SZUOHMMBNLHMHM-OAQYLSRUSA-N 1 1 452.396 4.801 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[C@H](C)[N@H+](Cc4ccccc4)CC3)n2CCCOC(F)(F)F)o1 ZINC001361203250 1066533333 /nfs/dbraw/zinc/53/33/33/1066533333.db2.gz YUKPCUFICQHPKI-SFHVURJKSA-N 1 1 477.531 4.874 20 0 JJADMO O=C(Oc1ccc(Br)c(F)c1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001456201065 1066536766 /nfs/dbraw/zinc/53/67/66/1066536766.db2.gz YZRUSYYQCQDKCG-IAGOWNOFSA-N 1 1 461.356 4.866 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2Cc2cc(COC(C)(C)C)on2)o1 ZINC001361205539 1066536911 /nfs/dbraw/zinc/53/69/11/1066536911.db2.gz LFBIZXPFQBXXKV-UHFFFAOYSA-N 1 1 484.645 4.755 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[C@H]([N@@H+](C)Cc4ccccc4)C3)n2CC(F)(F)Br)o1 ZINC001361206975 1066538967 /nfs/dbraw/zinc/53/89/67/1066538967.db2.gz DNNMNYMQGXYHBK-KRWDZBQOSA-N 1 1 480.357 4.545 20 0 JJADMO CC(C)(C)OC(=O)N(CCC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)CC1CC1 ZINC001445098010 1066539724 /nfs/dbraw/zinc/53/97/24/1066539724.db2.gz ZPUCIXORYPMRTF-HHHXNRCGSA-N 1 1 455.643 4.538 20 0 JJADMO CC[C@@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CCO1 ZINC001546080819 1066540859 /nfs/dbraw/zinc/54/08/59/1066540859.db2.gz BXMMXCRQFJSGGI-LXFBAYGMSA-N 1 1 496.700 4.521 20 0 JJADMO CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001445170742 1066542700 /nfs/dbraw/zinc/54/27/00/1066542700.db2.gz AMKIVMVGIYCQIN-QHCPKHFHSA-N 1 1 455.643 4.537 20 0 JJADMO C[C@@H]1C[C@H](NC(=O)c2ccc(CCNC(=O)OC(C)(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC001445229555 1066547578 /nfs/dbraw/zinc/54/75/78/1066547578.db2.gz ZZJMMEPVZUBMNQ-HYBUGGRVSA-N 1 1 451.611 4.537 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC001361213919 1066549070 /nfs/dbraw/zinc/54/90/70/1066549070.db2.gz DSOINUCLSMLKFQ-RXVVDRJESA-N 1 1 491.558 4.915 20 0 JJADMO CN(C)c1cc(NC(=O)CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)cc[nH+]1 ZINC001445258012 1066549055 /nfs/dbraw/zinc/54/90/55/1066549055.db2.gz GKVQKMLNJWJFLT-UHFFFAOYSA-N 1 1 458.562 4.795 20 0 JJADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)[C@@H](C)C1 ZINC001456302709 1066559031 /nfs/dbraw/zinc/55/90/31/1066559031.db2.gz NGAZPYHHXOVBSH-KSSFIOAISA-N 1 1 456.439 4.984 20 0 JJADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)[C@H](C)C1 ZINC001456304173 1066559787 /nfs/dbraw/zinc/55/97/87/1066559787.db2.gz ROKABWIWYWNWNU-GCJKJVERSA-N 1 1 455.002 4.546 20 0 JJADMO C[C@H](CCNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC001445358632 1066562069 /nfs/dbraw/zinc/56/20/69/1066562069.db2.gz ADPNZTMZVRBYMF-YKSBVNFPSA-N 1 1 451.611 4.548 20 0 JJADMO Cc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2CCC[N@H+]2CCCC[C@@H]2C)cc1Br ZINC001361227637 1066566410 /nfs/dbraw/zinc/56/64/10/1066566410.db2.gz RVOWEVTXCRNUDX-RBUKOAKNSA-N 1 1 476.463 4.506 20 0 JJADMO O=C(NCCc1cc(F)cc(OCc2ccccc2)c1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC001456384896 1066575038 /nfs/dbraw/zinc/57/50/38/1066575038.db2.gz UAMQGLZMPLPHIM-AREMUKBSSA-N 1 1 450.529 4.867 20 0 JJADMO O=C(NCCc1cc(F)cc(OCc2ccccc2)c1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC001456384896 1066575048 /nfs/dbraw/zinc/57/50/48/1066575048.db2.gz UAMQGLZMPLPHIM-AREMUKBSSA-N 1 1 450.529 4.867 20 0 JJADMO CN(C(=O)CCCC(=O)c1ccc(Br)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001445475216 1066575569 /nfs/dbraw/zinc/57/55/69/1066575569.db2.gz YXIWCTUPORRHMQ-QFIPXVFZSA-N 1 1 457.412 4.925 20 0 JJADMO CCOc1cc2c(cc1CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C)O[C@H](C)C2 ZINC001361238500 1066579257 /nfs/dbraw/zinc/57/92/57/1066579257.db2.gz OXOYUINPUFQZDM-WOJBJXKFSA-N 1 1 452.595 4.592 20 0 JJADMO C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC001445524617 1066582194 /nfs/dbraw/zinc/58/21/94/1066582194.db2.gz GWSGHKZFKOFUGI-MBSDFSHPSA-N 1 1 455.574 4.692 20 0 JJADMO C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC001445524617 1066582200 /nfs/dbraw/zinc/58/22/00/1066582200.db2.gz GWSGHKZFKOFUGI-MBSDFSHPSA-N 1 1 455.574 4.692 20 0 JJADMO Cc1ccc(CCn2c(CC(C)(C)C)nnc2N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC001361243758 1066585579 /nfs/dbraw/zinc/58/55/79/1066585579.db2.gz UAAKLJICIWSRJM-ZRZAMGCNSA-N 1 1 467.702 4.743 20 0 JJADMO Cc1ccc(CCn2c(CC(C)C)nnc2N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)c1 ZINC001361243803 1066585635 /nfs/dbraw/zinc/58/56/35/1066585635.db2.gz UWYHMCAQCYMDCC-PSWAGMNNSA-N 1 1 467.702 4.662 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCc2ccc(C)cc2C)cs1 ZINC001361246181 1066588451 /nfs/dbraw/zinc/58/84/51/1066588451.db2.gz ZSNUBHAWROBQQV-UHFFFAOYSA-N 1 1 466.699 4.804 20 0 JJADMO Cc1ccc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc1I ZINC001445569180 1066589033 /nfs/dbraw/zinc/58/90/33/1066589033.db2.gz RAMYOXXWXLAPSG-QGZVFWFLSA-N 1 1 454.396 4.716 20 0 JJADMO Cc1ccc(CN(C)c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC[N@H+]2CCCO[C@H](C)C2)o1 ZINC001361248194 1066591256 /nfs/dbraw/zinc/59/12/56/1066591256.db2.gz IFSVVKLGGDPCAM-NHCUHLMSSA-N 1 1 485.604 4.596 20 0 JJADMO Cc1ccc(CN(C)c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[N@@H+](C)C2CCCC2)o1 ZINC001361248803 1066592397 /nfs/dbraw/zinc/59/23/97/1066592397.db2.gz RNTFFGNGLSTPDJ-LJQANCHMSA-N 1 1 455.578 4.969 20 0 JJADMO Cc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)o1 ZINC001361250032 1066595717 /nfs/dbraw/zinc/59/57/17/1066595717.db2.gz OGURQSOENMWFBO-JKSUJKDBSA-N 1 1 475.435 4.694 20 0 JJADMO CCCN(C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001445639323 1066597270 /nfs/dbraw/zinc/59/72/70/1066597270.db2.gz SSPCBIVABRHKOD-HSZRJFAPSA-N 1 1 457.659 4.579 20 0 JJADMO Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)s1 ZINC001361250874 1066597948 /nfs/dbraw/zinc/59/79/48/1066597948.db2.gz CGVFIMHRINKAEV-KRWDZBQOSA-N 1 1 475.062 4.501 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1[C@@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C ZINC001456491129 1066597984 /nfs/dbraw/zinc/59/79/84/1066597984.db2.gz TVJTZWPOXNAMQA-BUZMGHMJSA-N 1 1 455.643 4.535 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1[C@@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C ZINC001456491129 1066597996 /nfs/dbraw/zinc/59/79/96/1066597996.db2.gz TVJTZWPOXNAMQA-BUZMGHMJSA-N 1 1 455.643 4.535 20 0 JJADMO COc1cc(N[C@H]2CCCN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3CC(C)C)C2)cc(OC)c1 ZINC001445682021 1066602408 /nfs/dbraw/zinc/60/24/08/1066602408.db2.gz AVPCNQRSAPNWEO-FMGHJNRGSA-N 1 1 479.665 4.901 20 0 JJADMO Cc1ccc(CN(C)c2nnc(Cc3ccncc3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC001361259324 1066610368 /nfs/dbraw/zinc/61/03/68/1066610368.db2.gz YLYGYVHICHVKDJ-OYRHEFFESA-N 1 1 450.631 4.560 20 0 JJADMO Cc1ccc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)[N@@H+](C)C2CC2)s1 ZINC001361261050 1066611635 /nfs/dbraw/zinc/61/16/35/1066611635.db2.gz FQJFJQIBVUFVGW-INIZCTEOSA-N 1 1 460.047 5.000 20 0 JJADMO O=C(N[C@@H](c1cccc(F)c1)c1cccc(Br)c1)c1cc(C[NH+]2CCCC2)on1 ZINC001445726897 1066611785 /nfs/dbraw/zinc/61/17/85/1066611785.db2.gz BGFQGIDCFBYBEP-OAQYLSRUSA-N 1 1 458.331 4.691 20 0 JJADMO Cc1ccc(CN(Cc2ccco2)c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@H+]2CCCO)s1 ZINC001361261625 1066613603 /nfs/dbraw/zinc/61/36/03/1066613603.db2.gz GDDVAUDQOUZETQ-HXUWFJFHSA-N 1 1 471.671 4.592 20 0 JJADMO Cc1ccc(CN(Cc2ccco2)c2nnc(C)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001361261534 1066613712 /nfs/dbraw/zinc/61/37/12/1066613712.db2.gz FADAPWNQQYVAFB-HDICACEKSA-N 1 1 457.644 4.644 20 0 JJADMO Cc1ccc(CN(C)c2nnc(COc3ccccc3F)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001361261860 1066614952 /nfs/dbraw/zinc/61/49/52/1066614952.db2.gz ZIFFOYNQFPQAAI-KDURUIRLSA-N 1 1 487.645 4.502 20 0 JJADMO Cc1ccccc1-c1nc(CNC(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)no1 ZINC001445777918 1066615948 /nfs/dbraw/zinc/61/59/48/1066615948.db2.gz LUMVGBYJCWXKEM-XMMPIXPASA-N 1 1 458.537 4.702 20 0 JJADMO C[C@@H]1C[C@H](NC(=O)c2ccc(Br)c(OC(F)(F)F)c2)C[N@H+]1Cc1ccccc1 ZINC001445784969 1066616795 /nfs/dbraw/zinc/61/67/95/1066616795.db2.gz GONWHNAKJPQGOI-CJNGLKHVSA-N 1 1 457.290 4.741 20 0 JJADMO C[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)[C@H](O)c1cccc(F)c1 ZINC001445827323 1066623878 /nfs/dbraw/zinc/62/38/78/1066623878.db2.gz VQQXGKQMIRVXNO-JBSJPJJHSA-N 1 1 466.984 4.933 20 0 JJADMO Cc1ccc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cn1 ZINC001361273377 1066629386 /nfs/dbraw/zinc/62/93/86/1066629386.db2.gz YRIUMPHYRVDNCY-UHFFFAOYSA-N 1 1 456.997 4.800 20 0 JJADMO CC[N@@H+](C)[C@@H](C(=O)N1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1)c1ccccc1 ZINC001456624950 1066649010 /nfs/dbraw/zinc/64/90/10/1066649010.db2.gz WGVFSBDKORFUIF-ZJSXRUAMSA-N 1 1 457.659 4.955 20 0 JJADMO Cc1ccccc1OCCN(C)c1nnc(Cc2ccsc2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001492601864 1066657040 /nfs/dbraw/zinc/65/70/40/1066657040.db2.gz JFUKEZCWUVWFTN-IRLDBZIGSA-N 1 1 467.683 4.874 20 0 JJADMO O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC001446085169 1066657530 /nfs/dbraw/zinc/65/75/30/1066657530.db2.gz GQMSFOFZFNZLPK-DHLKQENFSA-N 1 1 452.595 4.862 20 0 JJADMO CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001456648128 1066658009 /nfs/dbraw/zinc/65/80/09/1066658009.db2.gz HXTSLRCJGMVQOC-CCDWMCETSA-N 1 1 465.638 4.710 20 0 JJADMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)C1 ZINC001446135438 1066663402 /nfs/dbraw/zinc/66/34/02/1066663402.db2.gz BJCAGTLLMAJCKU-OAQYLSRUSA-N 1 1 459.700 4.716 20 0 JJADMO Cc1c(Br)c2ccccc2n1CC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001446175908 1066668838 /nfs/dbraw/zinc/66/88/38/1066668838.db2.gz PSANRLBVSSLUFI-MSOLQXFVSA-N 1 1 454.412 4.834 20 0 JJADMO Cc1c(Br)c2ccccc2n1CC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC001446175911 1066668870 /nfs/dbraw/zinc/66/88/70/1066668870.db2.gz PSANRLBVSSLUFI-QZTJIDSGSA-N 1 1 454.412 4.834 20 0 JJADMO CC1=CCCN(c2nnc(-c3ccc(Br)cc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001492609210 1066670359 /nfs/dbraw/zinc/67/03/59/1066670359.db2.gz OSVWBJOETKFAIH-KDURUIRLSA-N 1 1 488.474 4.752 20 0 JJADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)[C@@H](C)C1 ZINC001456707744 1066671363 /nfs/dbraw/zinc/67/13/63/1066671363.db2.gz UFRKRMOMVZNQHM-HRAATJIYSA-N 1 1 458.400 4.504 20 0 JJADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)[C@H](C)C1 ZINC001456707751 1066671508 /nfs/dbraw/zinc/67/15/08/1066671508.db2.gz UFRKRMOMVZNQHM-IIBYNOLFSA-N 1 1 458.400 4.504 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC=C(C)C3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)cs1 ZINC001492612369 1066674335 /nfs/dbraw/zinc/67/43/35/1066674335.db2.gz DDNHWKYCZQFEJA-HXUWFJFHSA-N 1 1 450.656 4.701 20 0 JJADMO CC[C@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)NC(=O)OC(C)(C)C ZINC001545983187 1066675739 /nfs/dbraw/zinc/67/57/39/1066675739.db2.gz YKACWYRHGGMCIR-RZUBCFFCSA-N 1 1 474.694 4.550 20 0 JJADMO CC1=CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001492615221 1066680400 /nfs/dbraw/zinc/68/04/00/1066680400.db2.gz DVIAVQPTNPMTFX-RBUKOAKNSA-N 1 1 458.448 4.984 20 0 JJADMO CC1=CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001492615278 1066680548 /nfs/dbraw/zinc/68/05/48/1066680548.db2.gz HPKBETRNDYZITK-SFHVURJKSA-N 1 1 492.437 4.504 20 0 JJADMO CCN(Cc1ccccc1)c1ccc(C(=O)N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC001456746928 1066680581 /nfs/dbraw/zinc/68/05/81/1066680581.db2.gz LJYXKNQGHDUKIT-LXFBAYGMSA-N 1 1 457.618 4.732 20 0 JJADMO CCN(Cc1ccccc1)c1ccc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC001456746928 1066680590 /nfs/dbraw/zinc/68/05/90/1066680590.db2.gz LJYXKNQGHDUKIT-LXFBAYGMSA-N 1 1 457.618 4.732 20 0 JJADMO CC1=CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001492616351 1066683808 /nfs/dbraw/zinc/68/38/08/1066683808.db2.gz VUUVHRXEVWRXQX-LJQANCHMSA-N 1 1 458.448 4.984 20 0 JJADMO CC1=CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001492616350 1066683839 /nfs/dbraw/zinc/68/38/39/1066683839.db2.gz VUUVHRXEVWRXQX-IBGZPJMESA-N 1 1 458.448 4.984 20 0 JJADMO CC1=CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001492617676 1066685269 /nfs/dbraw/zinc/68/52/69/1066685269.db2.gz LQVPINRVDUZXOW-UHFFFAOYSA-N 1 1 486.705 4.814 20 0 JJADMO CC1=CCN(c2nnc(COc3ccc(Br)cc3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001492620150 1066689373 /nfs/dbraw/zinc/68/93/73/1066689373.db2.gz XLAKCPLQOWNNSQ-UHFFFAOYSA-N 1 1 462.436 4.506 20 0 JJADMO Cc1cnn([C@H]2CCCN(c3nnc(CC(C)(C)C)n3CCCC[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC001492620680 1066690723 /nfs/dbraw/zinc/69/07/23/1066690723.db2.gz JQIVXMGXUSKHBA-PKTZIBPZSA-N 1 1 455.695 4.868 20 0 JJADMO Cc1cnn(CCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC001492624507 1066696800 /nfs/dbraw/zinc/69/68/00/1066696800.db2.gz VSXDSTCKFMBBMF-DEOSSOPVSA-N 1 1 493.700 4.797 20 0 JJADMO O=C([C@@H]1CCC[N@@H+](CCc2ccccc2)C1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001446390203 1066700950 /nfs/dbraw/zinc/70/09/50/1066700950.db2.gz HCSJWMHWKNFKNN-RBUKOAKNSA-N 1 1 451.558 4.823 20 0 JJADMO O=C(NCCc1cc(Cl)ccc1Br)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001446390239 1066700987 /nfs/dbraw/zinc/70/09/87/1066700987.db2.gz IPOFHRIPGZDJHU-FQEVSTJZSA-N 1 1 453.783 4.955 20 0 JJADMO O=C(NCCc1cc(Cl)ccc1Br)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001446390239 1066700998 /nfs/dbraw/zinc/70/09/98/1066700998.db2.gz IPOFHRIPGZDJHU-FQEVSTJZSA-N 1 1 453.783 4.955 20 0 JJADMO CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@H](c1ccccc1)c1cc(Cl)ccc1Cl)n2C ZINC001446641151 1066727702 /nfs/dbraw/zinc/72/77/02/1066727702.db2.gz HEQYURIAWRVILQ-HXUWFJFHSA-N 1 1 454.361 4.861 20 0 JJADMO Cc1csc([C@H]2CN(c3nnc(-c4cccc(Cl)c4)n3CCC[N@H+](C)C(C)C)CCO2)n1 ZINC001492641582 1066734848 /nfs/dbraw/zinc/73/48/48/1066734848.db2.gz MMAIAYLYORRWBV-HXUWFJFHSA-N 1 1 475.062 4.672 20 0 JJADMO Cc1csc([C@H]2CCCN(c3nnc(CC(C)(C)C)n3CC(C)(C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)n1 ZINC001492641598 1066734987 /nfs/dbraw/zinc/73/49/87/1066734987.db2.gz HOGVRQFIJKDWMR-HBMCJLEFSA-N 1 1 488.746 4.903 20 0 JJADMO Cc1noc(-c2ccc(C(=O)N(C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC(F)(F)F)cc2)n1 ZINC001456980207 1066735057 /nfs/dbraw/zinc/73/50/57/1066735057.db2.gz BKXLXPHLXZBGNG-LJQANCHMSA-N 1 1 458.484 4.572 20 0 JJADMO COc1ccc2c(ccn2CC(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)c1 ZINC001456989627 1066736940 /nfs/dbraw/zinc/73/69/40/1066736940.db2.gz ZCEVWYSMERGPPU-FQEVSTJZSA-N 1 1 459.512 4.563 20 0 JJADMO O=C(/C=C/c1cnc2ccccc2n1)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456988933 1066736995 /nfs/dbraw/zinc/73/69/95/1066736995.db2.gz WCDLESKAXLFCAM-CTDFXDFQSA-N 1 1 454.496 4.556 20 0 JJADMO Cc1csc([C@H]2CCCN(c3nnc(C(C)(C)C)n3CC(C)(C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)n1 ZINC001492642982 1066737831 /nfs/dbraw/zinc/73/78/31/1066737831.db2.gz WSHMTYIMRWKHCL-ZCNNSNEGSA-N 1 1 474.719 4.612 20 0 JJADMO CC[C@@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CCO1 ZINC001546086004 1066738086 /nfs/dbraw/zinc/73/80/86/1066738086.db2.gz XBYTVOYGUNWLMQ-JTSKRJEESA-N 1 1 496.519 4.895 20 0 JJADMO Cc1csc([C@H]2CCCN(c3nnc(-c4ccc(Cl)nc4)n3CCC[N@H+](C)C(C)C)C2)n1 ZINC001492643087 1066738260 /nfs/dbraw/zinc/73/82/60/1066738260.db2.gz YSEYBLWFXMMXAS-IBGZPJMESA-N 1 1 474.078 4.873 20 0 JJADMO Cc1csc(CCCCn2c(N(C)C[C@@H]3CCC[N@@H+](C)[C@H]3c3cnn(C)c3)nnc2C(C)(C)C)n1 ZINC001492643322 1066739295 /nfs/dbraw/zinc/73/92/95/1066739295.db2.gz FSDDRNCZPXFWNB-NZQKXSOJSA-N 1 1 498.745 4.616 20 0 JJADMO Cc1csc(CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001492645277 1066745484 /nfs/dbraw/zinc/74/54/84/1066745484.db2.gz QKXPTVLJHMLTDT-HSZRJFAPSA-N 1 1 494.709 4.725 20 0 JJADMO Cc1csc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001492645665 1066746449 /nfs/dbraw/zinc/74/64/49/1066746449.db2.gz DZEDUGJOFCYADX-HDICACEKSA-N 1 1 489.089 4.888 20 0 JJADMO CC(C)[N@H+](Cc1ccc(NC(=O)c2ncc(Br)s2)cc1)C[C@H]1CCCCO1 ZINC001446841220 1066746877 /nfs/dbraw/zinc/74/68/77/1066746877.db2.gz XWYISIFDAKFKJV-QGZVFWFLSA-N 1 1 452.418 4.937 20 0 JJADMO Cc1csc(CN(C)c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC001492645827 1066747471 /nfs/dbraw/zinc/74/74/71/1066747471.db2.gz KJJHVMHPHBBDMA-LJQANCHMSA-N 1 1 492.064 4.981 20 0 JJADMO Cc1c(C(=O)N(CC[N@H+](C)Cc2ccccc2)Cc2ccccc2)nnn1-c1ccc(C)cc1 ZINC001457031130 1066748511 /nfs/dbraw/zinc/74/85/11/1066748511.db2.gz BWQGHPPDOGHVEU-UHFFFAOYSA-N 1 1 453.590 4.659 20 0 JJADMO Cc1csc(CN(C)c2nnc(Cc3ccccn3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001492647496 1066751484 /nfs/dbraw/zinc/75/14/84/1066751484.db2.gz NKDAYAAMEWXQSA-IBGZPJMESA-N 1 1 452.672 4.781 20 0 JJADMO Cc1csc(CN(C)c2nnc(CNC(=O)c3cccs3)n2CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001492648363 1066753929 /nfs/dbraw/zinc/75/39/29/1066753929.db2.gz RVYAMEMKQXQMQN-IBGZPJMESA-N 1 1 486.711 4.540 20 0 JJADMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)n(-c2nccs2)c1C ZINC001545991465 1066764036 /nfs/dbraw/zinc/76/40/36/1066764036.db2.gz OWMCAXSYZMIYBF-SBUREZEXSA-N 1 1 451.640 4.627 20 0 JJADMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)n(-c2nccs2)c1C ZINC001545991465 1066764043 /nfs/dbraw/zinc/76/40/43/1066764043.db2.gz OWMCAXSYZMIYBF-SBUREZEXSA-N 1 1 451.640 4.627 20 0 JJADMO O=C(CSc1ccccc1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)Nc1ccc(F)cc1 ZINC001457123227 1066767058 /nfs/dbraw/zinc/76/70/58/1066767058.db2.gz MEYSVJIBJVRDGU-NRFANRHFSA-N 1 1 455.599 4.551 20 0 JJADMO CC(C)(CO)[NH+]1CCN(C(=O)c2cccc(CSc3c(Cl)cccc3Cl)c2)CC1 ZINC001447061141 1066770386 /nfs/dbraw/zinc/77/03/86/1066770386.db2.gz MFCKGSJTMRIYCW-UHFFFAOYSA-N 1 1 453.435 4.814 20 0 JJADMO Cc1nc(C)c(CCn2c(COc3ccc(F)cc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)s1 ZINC001492657424 1066770980 /nfs/dbraw/zinc/77/09/80/1066770980.db2.gz SXJUKGCSWSZXPP-UHFFFAOYSA-N 1 1 486.661 4.623 20 0 JJADMO Cc1nc(Cc2nnc(N(C)[C@H](C)c3ccccc3F)n2CCCCn2cc[nH+]c2C)cs1 ZINC001492661599 1066780839 /nfs/dbraw/zinc/78/08/39/1066780839.db2.gz KDOXKUGVYRWEAC-QGZVFWFLSA-N 1 1 467.618 4.956 20 0 JJADMO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NCC[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001457195877 1066784940 /nfs/dbraw/zinc/78/49/40/1066784940.db2.gz MIMMBYYJFJGHBJ-UPVQGACJSA-N 1 1 457.659 4.893 20 0 JJADMO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)NCC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001457195867 1066785007 /nfs/dbraw/zinc/78/50/07/1066785007.db2.gz MIMMBYYJFJGHBJ-ISKFKSNPSA-N 1 1 457.659 4.893 20 0 JJADMO Cc1nc(Cc2nnc(N(C)C[C@H]3CCCO[C@H]3c3ccccc3)n2CC[N@H+](C)C(C)C)cs1 ZINC001492667892 1066794860 /nfs/dbraw/zinc/79/48/60/1066794860.db2.gz RWKNBRWZTRCYLX-RDGATRHJSA-N 1 1 482.698 4.578 20 0 JJADMO C[C@H]1C[C@H](NC(=O)c2cc(-c3ccc(Br)cc3)no2)CC[N@H+]1Cc1ccccc1 ZINC001457239318 1066796618 /nfs/dbraw/zinc/79/66/18/1066796618.db2.gz LRFWMDXNJREIHO-OXJNMPFZSA-N 1 1 454.368 4.887 20 0 JJADMO Cc1nc(Cc2nnc(N(Cc3ccc(F)cc3)C(C)C)n2CC[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001492669690 1066798296 /nfs/dbraw/zinc/79/82/96/1066798296.db2.gz GYXMBRKBGJCPQK-LJQANCHMSA-N 1 1 470.662 4.920 20 0 JJADMO CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC001457277853 1066802766 /nfs/dbraw/zinc/80/27/66/1066802766.db2.gz TYHYSZMFNCIGFJ-NRFANRHFSA-N 1 1 458.647 4.599 20 0 JJADMO Cc1nc(Cc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001492673616 1066806876 /nfs/dbraw/zinc/80/68/76/1066806876.db2.gz YFIVSTVVCVDEPW-HSALFYBXSA-N 1 1 458.720 4.874 20 0 JJADMO CC[C@H]1CN(C(=O)[C@](C)(NC(=O)OC(C)(C)C)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001447498679 1066815816 /nfs/dbraw/zinc/81/58/16/1066815816.db2.gz MACCZYOHGMNCJO-WNCULLNHSA-N 1 1 451.611 4.550 20 0 JJADMO CC[C@H]1CN(C(=O)[C@](C)(NC(=O)OC(C)(C)C)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001447498679 1066815822 /nfs/dbraw/zinc/81/58/22/1066815822.db2.gz MACCZYOHGMNCJO-WNCULLNHSA-N 1 1 451.611 4.550 20 0 JJADMO Cc1nc(Cc2nnc(N3CCCC3(C)C)n2C[C@H](c2ccccc2Cl)[NH+](C)C)cs1 ZINC001492677363 1066816048 /nfs/dbraw/zinc/81/60/48/1066816048.db2.gz DBPMRBJISVRZDF-HXUWFJFHSA-N 1 1 459.063 4.969 20 0 JJADMO Cc1ccc(CNC(=O)CCCCC2CCN(C(=O)OC(C)(C)C)CC2)c(N2CCCC2)[nH+]1 ZINC001447531255 1066819099 /nfs/dbraw/zinc/81/90/99/1066819099.db2.gz DZIWTGXUHGKUFD-UHFFFAOYSA-N 1 1 458.647 4.814 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)cs1 ZINC001492679268 1066821357 /nfs/dbraw/zinc/82/13/57/1066821357.db2.gz YGVFAGOALBEGSI-GBXCKJPGSA-N 1 1 496.725 4.938 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)cs1 ZINC001492679489 1066821809 /nfs/dbraw/zinc/82/18/09/1066821809.db2.gz FFNFAAAYKIKHKU-OFNKIYASSA-N 1 1 488.746 4.786 20 0 JJADMO C[C@@H](CCNC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)[N@@H+](C)Cc1ccccc1 ZINC001457420557 1066827317 /nfs/dbraw/zinc/82/73/17/1066827317.db2.gz DSDSNIXOFJEGPR-QFIPXVFZSA-N 1 1 457.618 4.719 20 0 JJADMO Cc1nc(Cc2nnc(N3CCS[C@@H](C(C)C)C3)n2CCCC[N@H+]2CCCC[C@H]2C)cs1 ZINC001492684139 1066827886 /nfs/dbraw/zinc/82/78/86/1066827886.db2.gz RYMPHNPYLNONTH-DENIHFKCSA-N 1 1 476.760 4.866 20 0 JJADMO C[C@@H](CCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2NC(=O)OC(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001457422670 1066828644 /nfs/dbraw/zinc/82/86/44/1066828644.db2.gz PCYXNHBSIZKZPJ-IFZJCEBKSA-N 1 1 457.659 4.733 20 0 JJADMO C[C@H](CCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2NC(=O)OC(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001457422669 1066828732 /nfs/dbraw/zinc/82/87/32/1066828732.db2.gz PCYXNHBSIZKZPJ-CAGISBQGSA-N 1 1 457.659 4.733 20 0 JJADMO CC[N@@H+](CCNC(=O)c1cc(-c2ccc(Br)cc2)ns1)CCC(F)(F)F ZINC001447639849 1066834150 /nfs/dbraw/zinc/83/41/50/1066834150.db2.gz MNYJYOUWTXTCAQ-UHFFFAOYSA-N 1 1 450.324 4.577 20 0 JJADMO Cc1nc([C@H]2CCCN2c2nnc(CC(C)(C)C)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC001492695345 1066841549 /nfs/dbraw/zinc/84/15/49/1066841549.db2.gz XSVVGVWXHDCLIA-LVCYWYKZSA-N 1 1 474.719 4.861 20 0 JJADMO Cc1ncc(CN(C)c2nnc(Cc3ccccc3C)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)s1 ZINC001492697618 1066849734 /nfs/dbraw/zinc/84/97/34/1066849734.db2.gz ANICCLWSQMAPMZ-ICSRJNTNSA-N 1 1 452.672 4.699 20 0 JJADMO Cc1ncc(CN(C)c2nnc(COc3ccc(F)cc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)s1 ZINC001492698613 1066852388 /nfs/dbraw/zinc/85/23/88/1066852388.db2.gz DYEXTZNIMQARNA-NRFANRHFSA-N 1 1 472.634 4.518 20 0 JJADMO CC[C@@H](NC(=O)[C@@H](CC)c1ccc(Br)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001457539269 1066855938 /nfs/dbraw/zinc/85/59/38/1066855938.db2.gz JVQLAUBPMDQEHZ-YTFSRNRJSA-N 1 1 459.428 4.739 20 0 JJADMO CC[C@@H](NC(=O)[C@@H](CC)c1ccc(Br)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001457539269 1066855945 /nfs/dbraw/zinc/85/59/45/1066855945.db2.gz JVQLAUBPMDQEHZ-YTFSRNRJSA-N 1 1 459.428 4.739 20 0 JJADMO CCC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)N3CC[N@@H+](CC(C)(C)O)[C@@H](C)C3)c2C1 ZINC001447794979 1066859597 /nfs/dbraw/zinc/85/95/97/1066859597.db2.gz FYHVLAHUYFVQAR-VQTJNVASSA-N 1 1 451.655 4.693 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cccc(N(C)C(=O)OC(C)(C)C)c1 ZINC001457568952 1066865389 /nfs/dbraw/zinc/86/53/89/1066865389.db2.gz YNDJTZIGOYPROA-GZOXUSKESA-N 1 1 451.611 4.944 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccccn1 ZINC001492705862 1066866148 /nfs/dbraw/zinc/86/61/48/1066866148.db2.gz UNWLOIWTBDHVHN-UHFFFAOYSA-N 1 1 486.443 4.786 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c(CCCc3ccccc3)nnc2N(C)CC(C)(C)C)cn1 ZINC001492705714 1066866163 /nfs/dbraw/zinc/86/61/63/1066866163.db2.gz PCHMKROPBIDBFS-UHFFFAOYSA-N 1 1 457.626 4.873 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001492706140 1066867429 /nfs/dbraw/zinc/86/74/29/1066867429.db2.gz DIRXATDMBZPHAP-DHIUTWEWSA-N 1 1 486.705 4.966 20 0 JJADMO O=C(CCCc1ccc(Cl)c(Cl)c1)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001457575548 1066869135 /nfs/dbraw/zinc/86/91/35/1066869135.db2.gz HRCHKUARLRTTSW-UHFFFAOYSA-N 1 1 454.829 4.908 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001492706704 1066869158 /nfs/dbraw/zinc/86/91/58/1066869158.db2.gz XCGOSWQIHRRHML-QHCPKHFHSA-N 1 1 484.620 4.765 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001492707395 1066870612 /nfs/dbraw/zinc/87/06/12/1066870612.db2.gz UGGGVXCGGYOXMN-UHFFFAOYSA-N 1 1 489.590 4.522 20 0 JJADMO Cc1nccn1CCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001492707265 1066870729 /nfs/dbraw/zinc/87/07/29/1066870729.db2.gz PVKFIUJOUJZOFA-UHFFFAOYSA-N 1 1 456.038 4.504 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001492708482 1066872506 /nfs/dbraw/zinc/87/25/06/1066872506.db2.gz BUNCSUFYDYJNBH-INIZCTEOSA-N 1 1 493.439 4.763 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)CC[C@H]1C ZINC001492708294 1066872521 /nfs/dbraw/zinc/87/25/21/1066872521.db2.gz WANXCHVUKRVBND-KCZVDYSFSA-N 1 1 485.677 4.613 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CC1CC(F)C1 ZINC001492709021 1066873129 /nfs/dbraw/zinc/87/31/29/1066873129.db2.gz UHTQEUHMPYQCLK-UHFFFAOYSA-N 1 1 481.403 4.943 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(N2CCO[C@@H](c3cccc(Br)c3)C2)nnc1C(C)(C)C ZINC001492709334 1066873951 /nfs/dbraw/zinc/87/39/51/1066873951.db2.gz GJKITKKNVLNQHU-HXUWFJFHSA-N 1 1 487.446 4.511 20 0 JJADMO Cc1[nH+]ccn1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001492711860 1066876659 /nfs/dbraw/zinc/87/66/59/1066876659.db2.gz IVWPUOGYZUNKOY-BGYRXZFFSA-N 1 1 450.631 4.842 20 0 JJADMO Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC001457609769 1066877331 /nfs/dbraw/zinc/87/73/31/1066877331.db2.gz IQYKUJZGGSHERR-AREMUKBSSA-N 1 1 450.671 4.950 20 0 JJADMO Cc1[nH+]ccn1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCSC(C)(C)C1 ZINC001492711883 1066877701 /nfs/dbraw/zinc/87/77/01/1066877701.db2.gz JWGCTVGLTUEESG-UHFFFAOYSA-N 1 1 468.671 4.692 20 0 JJADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOc1ccccc1Cl ZINC001492712413 1066878538 /nfs/dbraw/zinc/87/85/38/1066878538.db2.gz CHIOLNQUVNJMQK-DENIHFKCSA-N 1 1 487.048 4.570 20 0 JJADMO CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NC[C@H]3CCC[N@H+]3CC3CCCCC3)cc2C1 ZINC001457617862 1066881145 /nfs/dbraw/zinc/88/11/45/1066881145.db2.gz ZPTKQLYCOKWIML-XMMPIXPASA-N 1 1 455.643 4.754 20 0 JJADMO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[N@H+](C)C(C)C ZINC001492717544 1066884918 /nfs/dbraw/zinc/88/49/18/1066884918.db2.gz UGFYAUIVWRNSFI-UHFFFAOYSA-N 1 1 469.703 4.602 20 0 JJADMO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC001457646318 1066890363 /nfs/dbraw/zinc/89/03/63/1066890363.db2.gz IHKAKNRSVFUDAC-OAQYLSRUSA-N 1 1 456.030 4.551 20 0 JJADMO Cc1cc(C)n([C@H]2CCCN(c3nnc(Cc4ccc(Cl)cc4)n3CCC[N@H+](C)C(C)C)C2)n1 ZINC001492730781 1066901021 /nfs/dbraw/zinc/90/10/21/1066901021.db2.gz DCCTVBCXRQDFEU-DEOSSOPVSA-N 1 1 484.092 4.907 20 0 JJADMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001448126012 1066902543 /nfs/dbraw/zinc/90/25/43/1066902543.db2.gz SYQZULJSRMSQRC-VXNXHJTFSA-N 1 1 457.659 4.542 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)n2CCC(C)(F)F)n1 ZINC001492733266 1066906919 /nfs/dbraw/zinc/90/69/19/1066906919.db2.gz GPPZDQOXZRQTQR-NZQKXSOJSA-N 1 1 485.627 4.674 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CCC[C@@H](C)C3)n2CCC[N@@H+](C)C2CCCCC2)n1 ZINC001492733726 1066907638 /nfs/dbraw/zinc/90/76/38/1066907638.db2.gz RKFFNFYQKXVPGJ-YKSBVNFPSA-N 1 1 455.695 4.809 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)c(F)c3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492735672 1066910271 /nfs/dbraw/zinc/91/02/71/1066910271.db2.gz FMVXRHQWBLWKHU-KDURUIRLSA-N 1 1 499.654 4.811 20 0 JJADMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(Cl)c(C[N@H+](C)CCO)c1 ZINC001448231064 1066912228 /nfs/dbraw/zinc/91/22/28/1066912228.db2.gz XPYBEHUZJVBPST-UHFFFAOYSA-N 1 1 452.313 4.772 20 0 JJADMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(Cl)c(C[N@@H+](C)CCO)c1 ZINC001448231064 1066912235 /nfs/dbraw/zinc/91/22/35/1066912235.db2.gz XPYBEHUZJVBPST-UHFFFAOYSA-N 1 1 452.313 4.772 20 0 JJADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1c[nH]c2ccc(Br)cc12 ZINC001448238444 1066914059 /nfs/dbraw/zinc/91/40/59/1066914059.db2.gz ZXOIYHAPLAMBJR-QFIPXVFZSA-N 1 1 454.412 4.890 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CC=C(C(C)(C)C)CC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001492742542 1066918126 /nfs/dbraw/zinc/91/81/26/1066918126.db2.gz DUCDMGODJZZFOO-OAQYLSRUSA-N 1 1 467.706 4.834 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C)[N@H+](Cc4ccccc4)CC3)n2CCCC(F)(F)F)n1 ZINC001492745030 1066920611 /nfs/dbraw/zinc/92/06/11/1066920611.db2.gz FPLFXQXFKOMCIZ-HXUWFJFHSA-N 1 1 489.590 4.583 20 0 JJADMO CC(C)[C@@H](NC(=O)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001448437185 1066927281 /nfs/dbraw/zinc/92/72/81/1066927281.db2.gz JUCGNRLTJRFRDB-DHIUTWEWSA-N 1 1 457.590 4.664 20 0 JJADMO CCc1ccc([C@@H]2CN(C(=O)c3c(F)ccc(C(F)(F)F)c3Br)CC[NH2+]2)cc1 ZINC001448447696 1066928411 /nfs/dbraw/zinc/92/84/11/1066928411.db2.gz GCVVGTWQCDOIIN-INIZCTEOSA-N 1 1 459.281 4.956 20 0 JJADMO C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 ZINC001457825799 1066928901 /nfs/dbraw/zinc/92/89/01/1066928901.db2.gz PPTXMRLLJQRHLL-AKIFATBCSA-N 1 1 461.622 4.547 20 0 JJADMO Cc1nc(C)n(C[C@H]2CCCN(c3nnc(C(C)(C)C)n3C[C@H](c3ccccc3Cl)[NH+](C)C)C2)n1 ZINC001492757496 1066928997 /nfs/dbraw/zinc/92/89/97/1066928997.db2.gz ZHIGXARUSCTYDF-NZQKXSOJSA-N 1 1 499.107 4.657 20 0 JJADMO CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001457834549 1066930718 /nfs/dbraw/zinc/93/07/18/1066930718.db2.gz QKFSKNLXPSBDLZ-WTOYTKOKSA-N 1 1 451.449 4.904 20 0 JJADMO C[N@H+]1CCC[C@@H](c2cccc(C(=O)NCc3c(F)c(F)c(Br)c(F)c3F)c2)C1 ZINC001457881550 1066935420 /nfs/dbraw/zinc/93/54/20/1066935420.db2.gz WQXNPSMSDYHWAR-CYBMUJFWSA-N 1 1 459.281 4.745 20 0 JJADMO Cc1c[nH+]ccc1OC1CCN(C(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001448533197 1066936319 /nfs/dbraw/zinc/93/63/19/1066936319.db2.gz DOEZHXSQXVMOMF-XXBNENTESA-N 1 1 453.583 4.662 20 0 JJADMO Cc1nnc(CCCn2c(CC(C)(C)C)nnc2N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC001492766086 1066938517 /nfs/dbraw/zinc/93/85/17/1066938517.db2.gz AULZJXDBGYPGRQ-JOCHJYFZSA-N 1 1 481.714 4.618 20 0 JJADMO C[C@]1(c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)Nc1nnc(CC(F)(F)F)s1 ZINC001457914850 1066941090 /nfs/dbraw/zinc/94/10/90/1066941090.db2.gz MMAIYJHBXCMMSL-XMSQKQJNSA-N 1 1 460.525 4.671 20 0 JJADMO CCCCCC[C@H](C)N(Cc1ccc(Br)cc1)C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC001448687773 1066951341 /nfs/dbraw/zinc/95/13/41/1066951341.db2.gz ODYHASGLLXELQQ-PMACEKPBSA-N 1 1 452.481 4.773 20 0 JJADMO Cc1nnc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001492799507 1066952496 /nfs/dbraw/zinc/95/24/96/1066952496.db2.gz GSUSJJLJEFJBOR-YKSBVNFPSA-N 1 1 460.066 4.558 20 0 JJADMO Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(C[NH+](C)C)c(Cl)c3)cc2)cc1 ZINC001448734164 1066954713 /nfs/dbraw/zinc/95/47/13/1066954713.db2.gz COKOPKZGJIYUDK-UHFFFAOYSA-N 1 1 457.983 4.763 20 0 JJADMO Cc1nnc(N2CCC(OCCC(C)C)CC2)n1CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001492820844 1066954821 /nfs/dbraw/zinc/95/48/21/1066954821.db2.gz MRBNAWDFWQYJRU-DHLKQENFSA-N 1 1 453.675 4.919 20 0 JJADMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1[C@@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C ZINC001448732849 1066954861 /nfs/dbraw/zinc/95/48/61/1066954861.db2.gz HOIPDLXQAICPBZ-WPYKKVEZSA-N 1 1 452.599 4.613 20 0 JJADMO Cc1nnc(N2CCc3cc(NC(=O)OC(C)(C)C)ccc3C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001492832074 1066955264 /nfs/dbraw/zinc/95/52/64/1066955264.db2.gz YWJHJKMWZPXQTG-OAQYLSRUSA-N 1 1 482.673 4.864 20 0 JJADMO Cc1nnc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001492842212 1066956731 /nfs/dbraw/zinc/95/67/31/1066956731.db2.gz ANVRXCPYTMRACT-INIZCTEOSA-N 1 1 456.582 4.568 20 0 JJADMO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1ccccc1C(=O)NCC[N@@H+]1CC=CCC1 ZINC001448783420 1066957620 /nfs/dbraw/zinc/95/76/20/1066957620.db2.gz ILKXMEMUUXVSGE-XPNTWCBSSA-N 1 1 458.668 4.774 20 0 JJADMO Cc1ccc(C2(C(=O)N(C)CC[N@@H+]3CCOC(C)(C)C3)CCCCC2)c(Br)c1 ZINC001448787358 1066958073 /nfs/dbraw/zinc/95/80/73/1066958073.db2.gz QZQYNLAJEWNLFB-UHFFFAOYSA-N 1 1 451.449 4.529 20 0 JJADMO Cc1ccc(C2(C(=O)N(C)CC[N@H+]3CCOC(C)(C)C3)CCCCC2)c(Br)c1 ZINC001448787358 1066958084 /nfs/dbraw/zinc/95/80/84/1066958084.db2.gz QZQYNLAJEWNLFB-UHFFFAOYSA-N 1 1 451.449 4.529 20 0 JJADMO Cc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001492851848 1066958979 /nfs/dbraw/zinc/95/89/79/1066958979.db2.gz LIOYWPSXIXHZKM-LPHOPBHVSA-N 1 1 481.954 4.600 20 0 JJADMO C[C@H]1C[C@H](CCNC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC001458055953 1066962902 /nfs/dbraw/zinc/96/29/02/1066962902.db2.gz DGHWVWCWTZMFIF-ICSRJNTNSA-N 1 1 456.512 4.922 20 0 JJADMO CC(C)(C)OC(=O)C1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1 ZINC001458057531 1066963675 /nfs/dbraw/zinc/96/36/75/1066963675.db2.gz MDCSJKNHGKDPFX-ZOOXZOTBSA-N 1 1 454.655 4.942 20 0 JJADMO COc1cccc(C(=O)c2ccc(C(=O)NCC[C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)cc2)c1 ZINC001458061999 1066965045 /nfs/dbraw/zinc/96/50/45/1066965045.db2.gz XCPZUGQGPBOQSF-GMAHTHKFSA-N 1 1 456.586 4.957 20 0 JJADMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)C(F)(F)c1cnc(Cl)c(C)c1 ZINC001458093042 1066972724 /nfs/dbraw/zinc/97/27/24/1066972724.db2.gz ILZSSWQLVITOCG-LJQANCHMSA-N 1 1 459.928 4.726 20 0 JJADMO CC[C@@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC001545719118 1066972667 /nfs/dbraw/zinc/97/26/67/1066972667.db2.gz BEZOLXSBROGNJJ-CQSBDTAJSA-N 1 1 494.728 4.968 20 0 JJADMO CC[C@@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001545719749 1066973508 /nfs/dbraw/zinc/97/35/08/1066973508.db2.gz LMGLQOYFJSRTIP-ZXPQVUNLSA-N 1 1 494.728 4.824 20 0 JJADMO CCN1CC[NH+](Cc2ccccc2CNc2nnc(-c3ccccc3)cc2C(F)(F)F)CC1 ZINC001458099465 1066974856 /nfs/dbraw/zinc/97/48/56/1066974856.db2.gz OELLECPWVPNKHY-UHFFFAOYSA-N 1 1 455.528 4.912 20 0 JJADMO CC(C)Cc1ncnc(NCc2ccccc2C[N@@H+](C)C(C)C)c1I ZINC001458099126 1066975127 /nfs/dbraw/zinc/97/51/27/1066975127.db2.gz MGMJZODFSIHYMX-UHFFFAOYSA-N 1 1 452.384 4.732 20 0 JJADMO CC[C@@H](c1nnc(N(C)Cc2cc(Cl)ccn2)n1CC[N@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001545721747 1066976434 /nfs/dbraw/zinc/97/64/34/1066976434.db2.gz GGWGXLUSPAQIGG-WMZHIEFXSA-N 1 1 453.034 4.989 20 0 JJADMO CC[C@@H](c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1C[C@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC001545722550 1066978144 /nfs/dbraw/zinc/97/81/44/1066978144.db2.gz WIWGVQOCZIEVJM-LAUBAEHRSA-N 1 1 489.590 4.691 20 0 JJADMO CCCN(C(=O)c1ccccc1NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC001458112784 1066979331 /nfs/dbraw/zinc/97/93/31/1066979331.db2.gz ULAPMFHIRGVZFY-OYRHEFFESA-N 1 1 451.611 4.809 20 0 JJADMO CCCN(C(=O)c1ccccc1NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC001458112784 1066979337 /nfs/dbraw/zinc/97/93/37/1066979337.db2.gz ULAPMFHIRGVZFY-OYRHEFFESA-N 1 1 451.611 4.809 20 0 JJADMO Cc1cc(NC(=O)c2c(F)cccc2Br)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC001458124289 1066982700 /nfs/dbraw/zinc/98/27/00/1066982700.db2.gz KHSATBLAZAFDRY-QGZVFWFLSA-N 1 1 457.347 4.792 20 0 JJADMO CC[C@@H](c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@H](C)c1c(C)noc1C)c1ccccc1 ZINC001545725974 1066982981 /nfs/dbraw/zinc/98/29/81/1066982981.db2.gz HFORPMRPGHNQAG-GBXCKJPGSA-N 1 1 494.684 4.776 20 0 JJADMO CC[C@@H](c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@H](C)c1c(C)noc1C)c1ccccc1 ZINC001545725974 1066982990 /nfs/dbraw/zinc/98/29/90/1066982990.db2.gz HFORPMRPGHNQAG-GBXCKJPGSA-N 1 1 494.684 4.776 20 0 JJADMO CC[C@H](c1nnc(N(C)CC2COC(C)(C)OC2)n1CC[N@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001545726822 1066984323 /nfs/dbraw/zinc/98/43/23/1066984323.db2.gz XWGYGTTXOJPSAA-DEOSSOPVSA-N 1 1 483.701 4.777 20 0 JJADMO CC[C@@H](c1nnc(N(CC)[C@@H](C)C2CCC2)n1CC[N@@H+]1CCOCC1(C)C)c1ccccc1 ZINC001545727867 1066984833 /nfs/dbraw/zinc/98/48/33/1066984833.db2.gz AVDFCEFUEAVZAR-XUZZJYLKSA-N 1 1 453.675 4.946 20 0 JJADMO CC[C@@H](c1nnc(N(CC)[C@@H](C)C2CCC2)n1CC[N@H+]1CCOCC1(C)C)c1ccccc1 ZINC001545727867 1066984841 /nfs/dbraw/zinc/98/48/41/1066984841.db2.gz AVDFCEFUEAVZAR-XUZZJYLKSA-N 1 1 453.675 4.946 20 0 JJADMO CC[C@]1(C)CN(c2nnc(Cc3ccsc3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CCO1 ZINC001546097341 1066985258 /nfs/dbraw/zinc/98/52/58/1066985258.db2.gz IXEHMFPGDVOMEF-AREMUKBSSA-N 1 1 467.683 4.824 20 0 JJADMO Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N(C)C[C@H]3CC[N@@H+](Cc4ccc(C)s4)C3)n2)n1 ZINC001449170666 1066987047 /nfs/dbraw/zinc/98/70/47/1066987047.db2.gz HTMHRRQHVHHGMH-GOSISDBHSA-N 1 1 458.031 4.502 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CC(C)(C)C(F)(F)F)c1ccccc1 ZINC001545731067 1066989536 /nfs/dbraw/zinc/98/95/36/1066989536.db2.gz JLHZLZSEZNBFCX-NRSPTQNISA-N 1 1 479.591 4.565 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC001545731155 1066989781 /nfs/dbraw/zinc/98/97/81/1066989781.db2.gz KVQNTSRGPOKKLP-PIATZUFCSA-N 1 1 471.715 4.651 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1C[C@@]1(O)CCCC1(C)C)c1ccccc1 ZINC001545731386 1066990745 /nfs/dbraw/zinc/99/07/45/1066990745.db2.gz NRRNIGFVHBRNTM-HKTPZVOJSA-N 1 1 453.675 4.680 20 0 JJADMO O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccccc1CSC1=NCCS1 ZINC001449225060 1066990849 /nfs/dbraw/zinc/99/08/49/1066990849.db2.gz GHXHHDIMFALBIE-NRFANRHFSA-N 1 1 451.617 4.877 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)n1CC(C)(C)SC)c1ccccc1 ZINC001545731836 1066992000 /nfs/dbraw/zinc/99/20/00/1066992000.db2.gz SXSNKABWKNVHRN-WWNPGLIZSA-N 1 1 471.715 4.509 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1Cc1csc([C@H](C)OC)n1)c1ccccc1 ZINC001545731949 1066992623 /nfs/dbraw/zinc/99/26/23/1066992623.db2.gz VOQOHMGISFNWMM-FAKFISEUSA-N 1 1 482.698 4.951 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC001449252413 1066993247 /nfs/dbraw/zinc/99/32/47/1066993247.db2.gz SGAJLTMXFUNVJS-BHDDXSALSA-N 1 1 455.599 4.700 20 0 JJADMO CCC[N@@H+](C)[C@@H](CNC(=O)CSc1nc(-c2cccc(C)c2)no1)c1ccc(Cl)cc1 ZINC001449263552 1066993766 /nfs/dbraw/zinc/99/37/66/1066993766.db2.gz KAWTXLRFZXFNDI-FQEVSTJZSA-N 1 1 459.015 4.990 20 0 JJADMO Ic1ccc2ncnc(NC[C@H]3CCC[N@H+]3CC3CCCCC3)c2c1 ZINC001458166786 1066994457 /nfs/dbraw/zinc/99/44/57/1066994457.db2.gz NGSSCWBKPINQPJ-QGZVFWFLSA-N 1 1 450.368 4.691 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(C(C)C)CC2)n1CCC[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001545734040 1066994499 /nfs/dbraw/zinc/99/44/99/1066994499.db2.gz MIDHAZBQMMNWDN-AREMUKBSSA-N 1 1 466.718 4.720 20 0 JJADMO CC[C@@H](c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC001545733928 1066996405 /nfs/dbraw/zinc/99/64/05/1066996405.db2.gz KPZZXIYSXXQDMH-CLJLJLNGSA-N 1 1 480.745 4.966 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(C(=O)OC)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545734575 1066998083 /nfs/dbraw/zinc/99/80/83/1066998083.db2.gz VZEHZCCHLRDYQC-OTNCWRBYSA-N 1 1 481.685 4.577 20 0 JJADMO CC[C@@H](c1nnc(N2CC[C@H](C)[C@@H]2CC)n1C[C@@H](C(C)C)[NH+]1CCOCC1)c1ccccc1 ZINC001545735523 1066998437 /nfs/dbraw/zinc/99/84/37/1066998437.db2.gz CKOPNFXMLWOEIT-VHXCZSFDSA-N 1 1 453.675 4.802 20 0 JJADMO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(NCC[C@@H](C)c3ccc(OC)cc3)c2c1C ZINC001458185018 1066999725 /nfs/dbraw/zinc/99/97/25/1066999725.db2.gz KCCZQYPCOZNDBG-OAHLLOKOSA-N 1 1 456.612 4.852 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)[C@@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001449333649 1067000918 /nfs/dbraw/zinc/00/09/18/1067000918.db2.gz UNORVMQNGYTMIN-QHCPKHFHSA-N 1 1 455.643 4.537 20 0 JJADMO CC[C@@H](c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1CCC[N@@H+](C)C(C)C)c1ccccc1 ZINC001545743811 1067010481 /nfs/dbraw/zinc/01/04/81/1067010481.db2.gz RHKBJSDJROQJSG-XMMPIXPASA-N 1 1 475.685 4.574 20 0 JJADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001545743887 1067010725 /nfs/dbraw/zinc/01/07/25/1067010725.db2.gz SLNYTXSCZGOBSA-URXFXBBRSA-N 1 1 475.685 4.574 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001545745657 1067012371 /nfs/dbraw/zinc/01/23/71/1067012371.db2.gz DUYJHVWHJQZXHI-BFLUCZKCSA-N 1 1 494.728 4.826 20 0 JJADMO CC[C@H](c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC001545746747 1067014536 /nfs/dbraw/zinc/01/45/36/1067014536.db2.gz UJOMZHQAYJRDFT-RTWAWAEBSA-N 1 1 479.591 4.710 20 0 JJADMO Cc1cc(C(=O)Nc2cc(Br)ccc2N2CC[N@H+](C)C[C@@H]2C)c(C)n1CC1CC1 ZINC001449602233 1067017383 /nfs/dbraw/zinc/01/73/83/1067017383.db2.gz RDWHEAYLKYMUMI-INIZCTEOSA-N 1 1 459.432 4.670 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CC[N@H+](C)[C@@H](C)CC)c1ccccc1 ZINC001545748502 1067017345 /nfs/dbraw/zinc/01/73/45/1067017345.db2.gz BHHVCAWXHVIMTN-OEMFJLHTSA-N 1 1 482.717 4.681 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CC[N@@H+]1CC=CCC1)c1ccccc1 ZINC001545748493 1067017627 /nfs/dbraw/zinc/01/76/27/1067017627.db2.gz BFFTUXXLNICPAR-BJKOFHAPSA-N 1 1 451.659 4.866 20 0 JJADMO CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001458274799 1067018983 /nfs/dbraw/zinc/01/89/83/1067018983.db2.gz HIWXLHXPHTYXGX-FQESCDNSSA-N 1 1 452.595 4.995 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1C[C@@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC001545749381 1067019760 /nfs/dbraw/zinc/01/97/60/1067019760.db2.gz NHHMIWAYDCKPRU-GMKZXUHWSA-N 1 1 453.675 4.946 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@@H]2C(C)C)n1C[C@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001545750045 1067021782 /nfs/dbraw/zinc/02/17/82/1067021782.db2.gz XJUZITTXFRDXNG-LGPLSSKUSA-N 1 1 466.718 4.718 20 0 JJADMO CC[C@H](c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC1(C)CCOCC1)c1ccccc1 ZINC001545751378 1067024165 /nfs/dbraw/zinc/02/41/65/1067024165.db2.gz DVUWOQQVWNDLLG-QHCPKHFHSA-N 1 1 453.675 4.947 20 0 JJADMO CC[C@H](c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CC[N@H+]1CCCC[C@@H]1CC)c1ccccc1 ZINC001545751630 1067024510 /nfs/dbraw/zinc/02/45/10/1067024510.db2.gz JDVCETDRQKGMLC-UIOOFZCWSA-N 1 1 494.728 4.779 20 0 JJADMO CC[C@H](Cn1c(N2CC[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]32)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546016650 1067026964 /nfs/dbraw/zinc/02/69/64/1067026964.db2.gz IBBJAQFXYLALTC-DNVJHFABSA-N 1 1 496.700 4.937 20 0 JJADMO CC[C@H](Cn1c(N2CC[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]32)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546016650 1067026977 /nfs/dbraw/zinc/02/69/77/1067026977.db2.gz IBBJAQFXYLALTC-DNVJHFABSA-N 1 1 496.700 4.937 20 0 JJADMO C[C@@H](CO)n1c2ccc(NC(=O)[C@H](c3ccc(Cl)cc3)[NH+](C)C)cc2nc1C(F)(F)F ZINC001449788688 1067028205 /nfs/dbraw/zinc/02/82/05/1067028205.db2.gz DNLOQIXRSJEGFP-SGTLLEGYSA-N 1 1 454.880 4.503 20 0 JJADMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1ccc(CSc2cc(Cl)ccc2Cl)cc1 ZINC001449805208 1067030213 /nfs/dbraw/zinc/03/02/13/1067030213.db2.gz XZCYTZOOLFKXBO-IBGZPJMESA-N 1 1 453.435 4.862 20 0 JJADMO CC[C@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC[N@@H+](CC)C(C)C)c1ccccc1 ZINC001545754647 1067031218 /nfs/dbraw/zinc/03/12/18/1067031218.db2.gz RRLIUFNKGUYWNA-UPVQGACJSA-N 1 1 498.716 4.996 20 0 JJADMO CC[C@H](c1nnc(N2CCN(c3nc(C)c(C)s3)CC2)n1CCC[N@@H+](C)C(C)C)c1ccccc1 ZINC001545756261 1067033433 /nfs/dbraw/zinc/03/34/33/1067033433.db2.gz DQVJFFWRFGSMEK-DEOSSOPVSA-N 1 1 495.741 4.950 20 0 JJADMO CC[C@H](c1nnc(N2CCN(c3cccs3)CC2)n1CCC[N@@H+](C)C(C)C)c1ccccc1 ZINC001545756708 1067034450 /nfs/dbraw/zinc/03/44/50/1067034450.db2.gz MGXYNUAWXAOUFE-QHCPKHFHSA-N 1 1 466.699 4.938 20 0 JJADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC001545757491 1067035804 /nfs/dbraw/zinc/03/58/04/1067035804.db2.gz ZWHIRUVLRJSYPK-QPPBQGQZSA-N 1 1 496.103 4.925 20 0 JJADMO CC[C@@H](c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC001545758159 1067036138 /nfs/dbraw/zinc/03/61/38/1067036138.db2.gz ASPNJLXQBPKILA-YMPZKCBVSA-N 1 1 492.634 4.767 20 0 JJADMO CC[C@H](c1nnc(N2CCN(CC)[C@@H](C)C2)n1CCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC001545758288 1067036626 /nfs/dbraw/zinc/03/66/26/1067036626.db2.gz DMCONNLBRXEONK-AHWVRZQESA-N 1 1 466.718 4.863 20 0 JJADMO CC[C@@H](c1nnc(N2CCN(CC)[C@@H](C)C2)n1CC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC001545758413 1067037308 /nfs/dbraw/zinc/03/73/08/1067037308.db2.gz GSTSANMXHYERRQ-LADGPHEKSA-N 1 1 452.691 4.615 20 0 JJADMO C[C@H](NC(=O)CCc1ccccc1NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001458345962 1067037432 /nfs/dbraw/zinc/03/74/32/1067037432.db2.gz DEIDIOSVLLKNQG-REWPJTCUSA-N 1 1 451.611 4.993 20 0 JJADMO C[C@@H](NC(=O)CCc1ccccc1NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001458345952 1067037466 /nfs/dbraw/zinc/03/74/66/1067037466.db2.gz DEIDIOSVLLKNQG-NFBKMPQASA-N 1 1 451.611 4.993 20 0 JJADMO CC[C@@H](c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@@H]1CCCSC1)c1ccccc1 ZINC001545758567 1067038441 /nfs/dbraw/zinc/03/84/41/1067038441.db2.gz JCSMXEAOBSRBDW-LADGPHEKSA-N 1 1 471.715 4.510 20 0 JJADMO CC[C@@H](c1nnc(N2CC[N@@H+](CCOC)[C@H](CC)C2)n1CC1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545758496 1067038469 /nfs/dbraw/zinc/03/84/69/1067038469.db2.gz IEYYSQXJUABSBW-CNXCYTMISA-N 1 1 483.701 4.571 20 0 JJADMO CC[C@@H](c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1Cc1cnn(CC(C)C)c1C)c1ccccc1 ZINC001545758596 1067039121 /nfs/dbraw/zinc/03/91/21/1067039121.db2.gz JKAYLJAHEYWMBS-PXDATVDWSA-N 1 1 463.674 4.560 20 0 JJADMO CC[C@@H](c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CCC1(COC)CCCC1)c1ccccc1 ZINC001545759250 1067041528 /nfs/dbraw/zinc/04/15/28/1067041528.db2.gz VDOUSNLLYCNTHG-ISKFKSNPSA-N 1 1 453.675 4.947 20 0 JJADMO CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@@H+](CC)[C@H](C)C1)Oc1cccc(F)c1 ZINC001546019109 1067044801 /nfs/dbraw/zinc/04/48/01/1067044801.db2.gz OLDSVRWKZSVYKY-NZRJUOQRSA-N 1 1 487.664 4.724 20 0 JJADMO CC[C@@H](c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1C[C@@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC001545761792 1067045620 /nfs/dbraw/zinc/04/56/20/1067045620.db2.gz XGDRGLPIZXAQFY-LXHIVTORSA-N 1 1 453.675 4.944 20 0 JJADMO CC[C@@H](c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC001545763305 1067047218 /nfs/dbraw/zinc/04/72/18/1067047218.db2.gz GTBBKYWMEMMRKW-ZBAJWAEMSA-N 1 1 497.728 4.962 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)CN(C(=O)OC(C)(C)C)C(C)C ZINC001450107378 1067050054 /nfs/dbraw/zinc/05/00/54/1067050054.db2.gz AWUVBNNUPCANKT-XMMPIXPASA-N 1 1 459.675 4.824 20 0 JJADMO CC[C@H](c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)C1CCCC1)c1ccccc1 ZINC001545765838 1067050659 /nfs/dbraw/zinc/05/06/59/1067050659.db2.gz IULSEEIYUZBSSX-VWNXMTODSA-N 1 1 496.700 4.798 20 0 JJADMO CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)c1noc(-c2ccc(F)cc2)n1 ZINC001450123321 1067051265 /nfs/dbraw/zinc/05/12/65/1067051265.db2.gz YUVAASYPNPFGOU-QHCPKHFHSA-N 1 1 450.558 4.681 20 0 JJADMO C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)C[C@H]3OCc4cc(Cl)ccc43)cc2)C[C@H]1C ZINC001458398356 1067051827 /nfs/dbraw/zinc/05/18/27/1067051827.db2.gz RVIACANYHCXJNB-HHJKRLRDSA-N 1 1 457.014 4.627 20 0 JJADMO CC[C@@H](c1nnc(N2CCS[C@@H](C(C)C)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1)c1ccccc1 ZINC001545766596 1067052028 /nfs/dbraw/zinc/05/20/28/1067052028.db2.gz WIUVXPXGNXJWMA-DSNGMDLFSA-N 1 1 485.742 4.755 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1CC[N@@H+](CC)C(C)C)c1ccccc1 ZINC001545768388 1067054293 /nfs/dbraw/zinc/05/42/93/1067054293.db2.gz UXWMCZCQNWKRKV-JWZKTCGFSA-N 1 1 496.700 4.654 20 0 JJADMO CCC(CC)(Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)SC ZINC001545770943 1067056646 /nfs/dbraw/zinc/05/66/46/1067056646.db2.gz AISSJLZQGXLTRD-WMZOPIPTSA-N 1 1 495.535 4.641 20 0 JJADMO CCC(CC)(Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)OC ZINC001545771034 1067057010 /nfs/dbraw/zinc/05/70/10/1067057010.db2.gz DAYUZIDVZRSFCC-HOFKKMOUSA-N 1 1 499.700 4.541 20 0 JJADMO CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[N@H+](C(C)(C)C)CC1)c1ccccc1 ZINC001546020534 1067060706 /nfs/dbraw/zinc/06/07/06/1067060706.db2.gz INUWDPNJWHOQGR-XWGVYQGASA-N 1 1 469.674 4.507 20 0 JJADMO CCC(CC)(Cn1c(-c2cccc(Cl)c2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1)SC ZINC001545772689 1067061370 /nfs/dbraw/zinc/06/13/70/1067061370.db2.gz JAZOCYZUODMDCA-GOSISDBHSA-N 1 1 466.095 4.677 20 0 JJADMO COc1ccc(Br)cc1C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458447261 1067062923 /nfs/dbraw/zinc/06/29/23/1067062923.db2.gz KPYREPLZYHWMJK-YJYMSZOUSA-N 1 1 455.755 4.673 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC12CCC2 ZINC001450241224 1067063614 /nfs/dbraw/zinc/06/36/14/1067063614.db2.gz QRRLQYQXPFQUII-FCHUYYIVSA-N 1 1 459.606 4.619 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC12CCC2 ZINC001450241224 1067063623 /nfs/dbraw/zinc/06/36/23/1067063623.db2.gz QRRLQYQXPFQUII-FCHUYYIVSA-N 1 1 459.606 4.619 20 0 JJADMO CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)OC ZINC001545777612 1067071490 /nfs/dbraw/zinc/07/14/90/1067071490.db2.gz HQKVDELDXSBSLL-JOCHJYFZSA-N 1 1 464.658 4.590 20 0 JJADMO CCC(CC)(Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[N@H+](C(C)C)CC1)OC ZINC001545779387 1067074190 /nfs/dbraw/zinc/07/41/90/1067074190.db2.gz MSXLENYWKCULCR-UHFFFAOYSA-N 1 1 452.647 4.563 20 0 JJADMO CC[C@]1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001546101391 1067074492 /nfs/dbraw/zinc/07/44/92/1067074492.db2.gz CERTYPRKPIUDIC-WZOHSFFVSA-N 1 1 476.065 4.636 20 0 JJADMO CCC(CC)(Cn1c([C@H]2CCOC2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)SC ZINC001545786666 1067082729 /nfs/dbraw/zinc/08/27/29/1067082729.db2.gz ULKGZWCLATWSJC-NRFANRHFSA-N 1 1 475.678 4.555 20 0 JJADMO C[C@@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1ccc(N2CCCCC2=O)cc1 ZINC001450541387 1067088421 /nfs/dbraw/zinc/08/84/21/1067088421.db2.gz OBUJTSLYGDVGHT-AUSIDOKSSA-N 1 1 455.549 4.538 20 0 JJADMO CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1)OC ZINC001545791319 1067088951 /nfs/dbraw/zinc/08/89/51/1067088951.db2.gz OBNVIDFWESWUHR-UHFFFAOYSA-N 1 1 482.698 4.551 20 0 JJADMO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N[C@@H]3CC(C)(C)Oc4ccc(NC(=O)OC(C)(C)C)cc43)C[N@H+]2C1 ZINC001450555126 1067091343 /nfs/dbraw/zinc/09/13/43/1067091343.db2.gz OHJIDHFBZAIEOZ-PLOVASNDSA-N 1 1 457.615 4.872 20 0 JJADMO CCOc1ccc(C(=O)CCC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)cc1OCC ZINC001545795379 1067095337 /nfs/dbraw/zinc/09/53/37/1067095337.db2.gz FQUPJUHOAARJQY-RTWAWAEBSA-N 1 1 452.595 4.568 20 0 JJADMO CCOc1ccc(C(=O)CCC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1OCC ZINC001545795379 1067095353 /nfs/dbraw/zinc/09/53/53/1067095353.db2.gz FQUPJUHOAARJQY-RTWAWAEBSA-N 1 1 452.595 4.568 20 0 JJADMO CCC(CC)[C@@H](CCn1c(C)nnc1N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)OC ZINC001545798641 1067101920 /nfs/dbraw/zinc/10/19/20/1067101920.db2.gz ORZKSOHMLFNHOQ-RUZDIDTESA-N 1 1 453.675 4.920 20 0 JJADMO CCN(C(=O)c1ccc(OC(F)F)c(Br)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001458669814 1067104938 /nfs/dbraw/zinc/10/49/38/1067104938.db2.gz PJGJEFOKGJXRAI-KRWDZBQOSA-N 1 1 453.327 4.787 20 0 JJADMO CCN(C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001458671105 1067105074 /nfs/dbraw/zinc/10/50/74/1067105074.db2.gz RZWSPCRLNAFAPB-JOCHJYFZSA-N 1 1 452.986 4.836 20 0 JJADMO CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)c1ccsc1NC(=O)c1ccccc1Cl ZINC001450725217 1067110871 /nfs/dbraw/zinc/11/08/71/1067110871.db2.gz UPRDYDGWYWAMQS-UHFFFAOYSA-N 1 1 456.999 4.643 20 0 JJADMO CCC(CC)[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCN(CC)[C@H](C)C1)[NH+](C)C ZINC001545805014 1067118302 /nfs/dbraw/zinc/11/83/02/1067118302.db2.gz GKVOLMLBPARXRG-GCJKJVERSA-N 1 1 491.522 4.604 20 0 JJADMO CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1 ZINC001450780030 1067120166 /nfs/dbraw/zinc/12/01/66/1067120166.db2.gz LLPCJWWNRZBUHT-WMQCIHAUSA-N 1 1 452.039 4.527 20 0 JJADMO CC[C@@H](c1nnc(SCCC(=O)Nc2ccccc2F)n1-c1ccc(OC)cc1)[NH+](C)C ZINC001458739686 1067128317 /nfs/dbraw/zinc/12/83/17/1067128317.db2.gz WYTWUPMZGNZNHJ-FQEVSTJZSA-N 1 1 457.575 4.549 20 0 JJADMO CCC(O)(CC)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001546029629 1067155187 /nfs/dbraw/zinc/15/51/87/1067155187.db2.gz LMWGQZLOUWFLRC-LEWJYISDSA-N 1 1 457.638 4.726 20 0 JJADMO O=C(NCc1cccc(Br)c1Cl)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC001451519104 1067175997 /nfs/dbraw/zinc/17/59/97/1067175997.db2.gz ALQLZLUHQPHWOF-INIZCTEOSA-N 1 1 457.746 4.876 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCc3ccccc32)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001545829547 1067179897 /nfs/dbraw/zinc/17/98/97/1067179897.db2.gz AAXIOCTWLYERKY-BWKNWUBXSA-N 1 1 480.701 4.688 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCC[C@@H](C)C2)n1Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001545829729 1067179946 /nfs/dbraw/zinc/17/99/46/1067179946.db2.gz FFKXTROVZCPCHT-GCJKJVERSA-N 1 1 495.647 4.893 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1C[C@@H]1CCCCS1 ZINC001545830395 1067181694 /nfs/dbraw/zinc/18/16/94/1067181694.db2.gz TWQPWHQKPSYFSA-ZEQRLZLVSA-N 1 1 498.741 4.583 20 0 JJADMO COc1ccc2cc([C@H](C)C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CCN(C)CC3)ccc2c1 ZINC001458875606 1067182279 /nfs/dbraw/zinc/18/22/79/1067182279.db2.gz KWQRIFKVPPJUGJ-MHBGZZOHSA-N 1 1 451.655 4.748 20 0 JJADMO COc1ccc2cc([C@H](C)C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CCN(C)CC3)ccc2c1 ZINC001458875601 1067182346 /nfs/dbraw/zinc/18/23/46/1067182346.db2.gz KWQRIFKVPPJUGJ-BAURHKQJSA-N 1 1 451.655 4.748 20 0 JJADMO C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1)c1cccc(C(F)(F)F)c1 ZINC001458875665 1067182459 /nfs/dbraw/zinc/18/24/59/1067182459.db2.gz LFKGUBOUDLJVDR-YFXJRYMSSA-N 1 1 453.593 4.995 20 0 JJADMO COc1ccc2cc([C@H](C)C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CCN(C)CC3)ccc2c1 ZINC001458875612 1067182517 /nfs/dbraw/zinc/18/25/17/1067182517.db2.gz KWQRIFKVPPJUGJ-SQMFLSJESA-N 1 1 451.655 4.748 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(Cl)c(F)c2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001545834813 1067184785 /nfs/dbraw/zinc/18/47/85/1067184785.db2.gz BDTIVNBYTOUHHD-IBGZPJMESA-N 1 1 493.071 4.746 20 0 JJADMO CC(C)[N@@H+]1CCc2nc(NC(=O)CCOc3ccc(Cl)cc3Br)sc2C1 ZINC001458879804 1067185008 /nfs/dbraw/zinc/18/50/08/1067185008.db2.gz VDODUJRBJMDBKW-UHFFFAOYSA-N 1 1 458.809 4.733 20 0 JJADMO CC(C)[N@H+]1CCc2nc(NC(=O)CCOc3ccc(Cl)cc3Br)sc2C1 ZINC001458879804 1067185014 /nfs/dbraw/zinc/18/50/14/1067185014.db2.gz VDODUJRBJMDBKW-UHFFFAOYSA-N 1 1 458.809 4.733 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2C3CCC2(C)CC3)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001545845393 1067197386 /nfs/dbraw/zinc/19/73/86/1067197386.db2.gz FMTKBUDFFWGSQB-UHFFFAOYSA-N 1 1 466.674 4.606 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1(C)C ZINC001451950613 1067200676 /nfs/dbraw/zinc/20/06/76/1067200676.db2.gz MHQXZKOWAFRIHZ-UARRHKHWSA-N 1 1 469.670 4.733 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545849379 1067202498 /nfs/dbraw/zinc/20/24/98/1067202498.db2.gz OCIIDLHPGFTKKL-HBMCJLEFSA-N 1 1 474.738 4.825 20 0 JJADMO O=C(NC1CC([NH+]2CCOCC2)C1)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1 ZINC001452084884 1067206444 /nfs/dbraw/zinc/20/64/44/1067206444.db2.gz FVVUKAIKENWVDF-UHFFFAOYSA-N 1 1 451.419 4.879 20 0 JJADMO O=C(NC1CC([NH+]2CCOCC2)C1)c1cccc(CSc2cc(Cl)ccc2Cl)c1 ZINC001452088372 1067206582 /nfs/dbraw/zinc/20/65/82/1067206582.db2.gz MRVVWCHUMAAAPA-UHFFFAOYSA-N 1 1 451.419 4.879 20 0 JJADMO O=C(NC1CC([NH+]2CCOCC2)C1)c1ccc(CSc2cc(Cl)ccc2Cl)cc1 ZINC001452102365 1067207583 /nfs/dbraw/zinc/20/75/83/1067207583.db2.gz VICBHQIDWNIAOF-UHFFFAOYSA-N 1 1 451.419 4.879 20 0 JJADMO CCC(O)(CC)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001546036786 1067214345 /nfs/dbraw/zinc/21/43/45/1067214345.db2.gz JBNLPVBNSGFOLO-IBGZPJMESA-N 1 1 471.646 4.504 20 0 JJADMO O=C(CSc1cccc2cccc(Cl)c21)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001458977493 1067215683 /nfs/dbraw/zinc/21/56/83/1067215683.db2.gz YIYRRFFEMPLUPB-OAQYLSRUSA-N 1 1 455.023 4.993 20 0 JJADMO CCC(O)(CC)Cn1c(Cc2ccsc2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001546038353 1067221883 /nfs/dbraw/zinc/22/18/83/1067221883.db2.gz KBQMWHYBLLMFQK-QHCPKHFHSA-N 1 1 467.683 4.582 20 0 JJADMO CC(=O)Nc1cccc2c1CCN(C(=O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1)C2 ZINC001452488790 1067227228 /nfs/dbraw/zinc/22/72/28/1067227228.db2.gz UHNORISZLROYPW-SANMLTNESA-N 1 1 459.565 4.570 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(CN(C)C(=O)c3ccc(OCc4ccncc4)cc3)cc2)C[C@H](C)O1 ZINC001452689229 1067243840 /nfs/dbraw/zinc/24/38/40/1067243840.db2.gz XUMVPBOLTWTPJP-SZPZYZBQSA-N 1 1 459.590 4.542 20 0 JJADMO Cc1ccc(Br)c(C)c1C(=O)N(C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001452689834 1067244401 /nfs/dbraw/zinc/24/44/01/1067244401.db2.gz IDRRAWRDLKQJEN-HDICACEKSA-N 1 1 459.428 4.947 20 0 JJADMO COc1cc(C(=O)N(C)Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc(OC)c1C(C)C ZINC001452692521 1067245079 /nfs/dbraw/zinc/24/50/79/1067245079.db2.gz UATIAJWJIWPFLR-BGYRXZFFSA-N 1 1 454.611 4.709 20 0 JJADMO C[NH+](C)Cc1ccc(NC(=O)CCc2cccc(F)c2Br)cc1Br ZINC001459073762 1067245290 /nfs/dbraw/zinc/24/52/90/1067245290.db2.gz KBTMVSNKRBWHSL-UHFFFAOYSA-N 1 1 458.169 4.984 20 0 JJADMO CCC1(CC)CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546105880 1067245885 /nfs/dbraw/zinc/24/58/85/1067245885.db2.gz AEPJZGSCNCZRPJ-KDURUIRLSA-N 1 1 475.081 4.898 20 0 JJADMO Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N3C[C@H](C)[N@H+](Cc4ccccc4)[C@H](C)[C@H]3C)c2)n1 ZINC001452768028 1067250262 /nfs/dbraw/zinc/25/02/62/1067250262.db2.gz HHTOXNDSSBQGIL-PWRODBHTSA-N 1 1 459.594 4.666 20 0 JJADMO Cc1cccc(-c2noc(SCC(=O)N3C[C@H](C)[N@@H+](Cc4ccccc4)[C@H](C)[C@H]3C)n2)c1 ZINC001452777955 1067251408 /nfs/dbraw/zinc/25/14/08/1067251408.db2.gz SGODDXOQDSVUSN-XUVXKRRUSA-N 1 1 450.608 4.647 20 0 JJADMO Cc1cccc(-c2noc(SCC(=O)N3C[C@H](C)[N@H+](Cc4ccccc4)[C@H](C)[C@H]3C)n2)c1 ZINC001452777955 1067251413 /nfs/dbraw/zinc/25/14/13/1067251413.db2.gz SGODDXOQDSVUSN-XUVXKRRUSA-N 1 1 450.608 4.647 20 0 JJADMO COc1ccc(CN(C(=O)Cn2c[nH+]c3c2C[C@H](C)[C@@H](C)C3)[C@@H](C)Cc2cccs2)cc1 ZINC001459108305 1067252525 /nfs/dbraw/zinc/25/25/25/1067252525.db2.gz WUBGNETWUBMRQP-UFYCRDLUSA-N 1 1 451.636 4.984 20 0 JJADMO COc1ccc(CN(C(=O)Cn2c[nH+]c3c2C[C@H](C)[C@@H](C)C3)[C@H](C)Cc2cccs2)cc1 ZINC001459108301 1067252640 /nfs/dbraw/zinc/25/26/40/1067252640.db2.gz WUBGNETWUBMRQP-SLFFLAALSA-N 1 1 451.636 4.984 20 0 JJADMO O=C(OCc1ccccc1)[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001459116184 1067253616 /nfs/dbraw/zinc/25/36/16/1067253616.db2.gz UREMIZJFNYIAMI-KAYWLYCHSA-N 1 1 456.586 4.542 20 0 JJADMO CC[N@@H+](CCCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1)C1CCCCC1 ZINC001452893662 1067260255 /nfs/dbraw/zinc/26/02/55/1067260255.db2.gz KRBXMRWLYOAQBU-UHFFFAOYSA-N 1 1 457.640 4.570 20 0 JJADMO CC(C)(C)OC(=O)N1Cc2cccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)c2C1 ZINC001453162614 1067284753 /nfs/dbraw/zinc/28/47/53/1067284753.db2.gz IDBNBAOCVXNIKP-HXUWFJFHSA-N 1 1 453.558 4.927 20 0 JJADMO C[C@H]1CCc2c(sc3nc(CC[N@@H+](C)Cc4cc(Br)cs4)nc(N)c23)C1 ZINC001459307839 1067289876 /nfs/dbraw/zinc/28/98/76/1067289876.db2.gz GRMDJZPJTYLWAK-NSHDSACASA-N 1 1 451.459 4.897 20 0 JJADMO O=C(C[NH+]1CCC(CC(=O)N2CCCC2)CC1)Nc1ccc(Oc2cccc(Cl)c2)cc1 ZINC001459311373 1067290992 /nfs/dbraw/zinc/29/09/92/1067290992.db2.gz OJEJUZAYJLOSQA-UHFFFAOYSA-N 1 1 455.986 4.795 20 0 JJADMO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001459310878 1067291043 /nfs/dbraw/zinc/29/10/43/1067291043.db2.gz GNBDPIJDUKOJDA-QHCPKHFHSA-N 1 1 451.014 4.842 20 0 JJADMO CCCC[N@@H+](Cc1cc(I)cc(I)c1)C1CC1 ZINC001459314540 1067291563 /nfs/dbraw/zinc/29/15/63/1067291563.db2.gz YHOVBIOFXUSOIC-UHFFFAOYSA-N 1 1 455.121 4.660 20 0 JJADMO C[C@H](C(=O)N(C)Cc1nc2ccc(C(F)(F)F)cc2[nH]1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001453273285 1067293152 /nfs/dbraw/zinc/29/31/52/1067293152.db2.gz YAAJLBQXZTVKPW-QGZVFWFLSA-N 1 1 458.528 4.883 20 0 JJADMO CN(C[C@@H](O)C[N@@H+](Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1)CC(F)(F)F ZINC001459349099 1067300600 /nfs/dbraw/zinc/30/06/00/1067300600.db2.gz KUKCPHOGCORVJA-OAHLLOKOSA-N 1 1 450.423 4.785 20 0 JJADMO COc1ccc(C[N@@H+](CC(=O)Nc2c(F)cc(F)cc2Br)[C@H](C)C2CC2)cc1 ZINC001459355670 1067302134 /nfs/dbraw/zinc/30/21/34/1067302134.db2.gz YDDCKXZZKWXRBD-CYBMUJFWSA-N 1 1 453.327 4.975 20 0 JJADMO CC[N@H+](C)[C@@H](C(=O)Nc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1)c1ccccc1 ZINC001453395337 1067303400 /nfs/dbraw/zinc/30/34/00/1067303400.db2.gz GVERJWIKJPQOJY-XZOQPEGZSA-N 1 1 453.583 4.627 20 0 JJADMO CC[N@@H+](C)[C@@H](C(=O)Nc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1)c1ccccc1 ZINC001453395337 1067303415 /nfs/dbraw/zinc/30/34/15/1067303415.db2.gz GVERJWIKJPQOJY-XZOQPEGZSA-N 1 1 453.583 4.627 20 0 JJADMO C[C@H]1N(C(=O)[C@@H](C[N@@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)c2ccccc2C1(C)C ZINC001453435378 1067305680 /nfs/dbraw/zinc/30/56/80/1067305680.db2.gz BXVWTXAVRJYWCZ-DENIHFKCSA-N 1 1 451.611 4.725 20 0 JJADMO Cc1sc2ncnc(SCC(=O)N3CC[N@@H+](Cc4ccccc4)[C@@H](C(C)C)C3)c2c1C ZINC001453493732 1067309211 /nfs/dbraw/zinc/30/92/11/1067309211.db2.gz GWMQMDXGOCRVCR-HXUWFJFHSA-N 1 1 454.665 4.769 20 0 JJADMO CC(C)C[N@@H+](CCc1ccc(F)cc1)CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001459382348 1067309331 /nfs/dbraw/zinc/30/93/31/1067309331.db2.gz AGEQUENYZVUAJF-UHFFFAOYSA-N 1 1 454.586 4.683 20 0 JJADMO C[C@@H]1CCC[C@@H]([N@@H+](CCOc2cccc(S(C)(=O)=O)c2)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC001459392891 1067311926 /nfs/dbraw/zinc/31/19/26/1067311926.db2.gz LVPATRCIGNGRIF-SELNLUPBSA-N 1 1 459.608 4.525 20 0 JJADMO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+](C)CCc1cccc2ccccc21 ZINC001459396668 1067312481 /nfs/dbraw/zinc/31/24/81/1067312481.db2.gz STNTYRMUCGSZRL-INIZCTEOSA-N 1 1 458.343 4.946 20 0 JJADMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC001459398586 1067313047 /nfs/dbraw/zinc/31/30/47/1067313047.db2.gz WSNOJNFUPXCLAN-YRISNDGFSA-N 1 1 454.442 4.674 20 0 JJADMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC001459398580 1067313359 /nfs/dbraw/zinc/31/33/59/1067313359.db2.gz WSNOJNFUPXCLAN-CDXJDZJCSA-N 1 1 454.442 4.674 20 0 JJADMO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC001459413516 1067317423 /nfs/dbraw/zinc/31/74/23/1067317423.db2.gz GAPPPJLNEUTJLI-UHFFFAOYSA-N 1 1 459.447 4.948 20 0 JJADMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC001459413516 1067317436 /nfs/dbraw/zinc/31/74/36/1067317436.db2.gz GAPPPJLNEUTJLI-UHFFFAOYSA-N 1 1 459.447 4.948 20 0 JJADMO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001459413830 1067317701 /nfs/dbraw/zinc/31/77/01/1067317701.db2.gz JBEYRBJMGUGYAX-IRLDBZIGSA-N 1 1 451.611 4.841 20 0 JJADMO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001459413830 1067317711 /nfs/dbraw/zinc/31/77/11/1067317711.db2.gz JBEYRBJMGUGYAX-IRLDBZIGSA-N 1 1 451.611 4.841 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC001459414502 1067317843 /nfs/dbraw/zinc/31/78/43/1067317843.db2.gz LBXOZAOPMZTXSA-HNNXBMFYSA-N 1 1 450.377 4.841 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC001459414502 1067317854 /nfs/dbraw/zinc/31/78/54/1067317854.db2.gz LBXOZAOPMZTXSA-HNNXBMFYSA-N 1 1 450.377 4.841 20 0 JJADMO CCC1(CC)CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546108783 1067323196 /nfs/dbraw/zinc/32/31/96/1067323196.db2.gz KWFVEVCGEQSDID-BGYRXZFFSA-N 1 1 475.628 4.663 20 0 JJADMO CCOC(=O)c1c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(OC)c(C)c2)sc2c1CC[C@H](C)C2 ZINC001459436388 1067325060 /nfs/dbraw/zinc/32/50/60/1067325060.db2.gz HQJCBVHNKCWYNG-DOTOQJQBSA-N 1 1 458.624 4.826 20 0 JJADMO CCOC(=O)c1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(OC)c(C)c2)sc2c1CC[C@H](C)C2 ZINC001459436388 1067325069 /nfs/dbraw/zinc/32/50/69/1067325069.db2.gz HQJCBVHNKCWYNG-DOTOQJQBSA-N 1 1 458.624 4.826 20 0 JJADMO CC(C)c1ccc(OCCNC(=O)C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)cc1 ZINC001459442370 1067325315 /nfs/dbraw/zinc/32/53/15/1067325315.db2.gz RMSIHEJFQZTVFQ-UHFFFAOYSA-N 1 1 452.595 4.869 20 0 JJADMO C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@@H+](C)CCc1ccc(Br)cc1 ZINC001459471846 1067333759 /nfs/dbraw/zinc/33/37/59/1067333759.db2.gz XZMDUZFDLWYKOF-SECBINFHSA-N 1 1 451.233 4.646 20 0 JJADMO C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001459476078 1067334831 /nfs/dbraw/zinc/33/48/31/1067334831.db2.gz LEUCPALDLHTSJR-WOJBJXKFSA-N 1 1 453.583 4.995 20 0 JJADMO C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001459476078 1067334845 /nfs/dbraw/zinc/33/48/45/1067334845.db2.gz LEUCPALDLHTSJR-WOJBJXKFSA-N 1 1 453.583 4.995 20 0 JJADMO CCC1(CC)CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCn2cc[nH+]c2C)C1 ZINC001546109117 1067335252 /nfs/dbraw/zinc/33/52/52/1067335252.db2.gz UJSBVTPZKFDYNK-NRFANRHFSA-N 1 1 485.677 4.614 20 0 JJADMO C[N@@H+](Cc1ccc(Cl)cc1Br)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001459479678 1067335272 /nfs/dbraw/zinc/33/52/72/1067335272.db2.gz AZMDFDAXMWWNCJ-HNNXBMFYSA-N 1 1 452.698 4.993 20 0 JJADMO C[N@H+](Cc1ccc(Cl)cc1Br)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001459479678 1067335282 /nfs/dbraw/zinc/33/52/82/1067335282.db2.gz AZMDFDAXMWWNCJ-HNNXBMFYSA-N 1 1 452.698 4.993 20 0 JJADMO COc1cccc([C@H](C)[NH+]2CCN(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)CC2)c1 ZINC001459490083 1067337401 /nfs/dbraw/zinc/33/74/01/1067337401.db2.gz YTFCJYHQHCGQCB-AWEZNQCLSA-N 1 1 456.801 4.973 20 0 JJADMO COc1ccc(NC(=O)c2c(NC(=O)C[N@@H+]3C[C@H](C)CC[C@@H]3C)sc3c2CCCC3)cc1 ZINC001459540935 1067347934 /nfs/dbraw/zinc/34/79/34/1067347934.db2.gz LLKFMWMEKQLJOQ-SJORKVTESA-N 1 1 455.624 4.947 20 0 JJADMO COc1ccc(NC(=O)c2c(NC(=O)C[N@H+]3C[C@H](C)CC[C@@H]3C)sc3c2CCCC3)cc1 ZINC001459540935 1067347952 /nfs/dbraw/zinc/34/79/52/1067347952.db2.gz LLKFMWMEKQLJOQ-SJORKVTESA-N 1 1 455.624 4.947 20 0 JJADMO CO[C@]1(C)C[C@@H]([N@@H+](C)CC(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1(C)C ZINC001459554993 1067350322 /nfs/dbraw/zinc/35/03/22/1067350322.db2.gz BIIQKKQNURAQCK-AVHWCYKHSA-N 1 1 451.611 4.594 20 0 JJADMO CCOC(=O)[C@]1(C(C)C)CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)C1 ZINC001459571191 1067354983 /nfs/dbraw/zinc/35/49/83/1067354983.db2.gz JDQSAWIBYNREHK-MOZWKJSSSA-N 1 1 462.634 4.514 20 0 JJADMO CC(C)[N@@H+](CCOc1ccc2cc(Br)ccc2c1)C[C@@H](O)CC1(O)CCCC1 ZINC001459599065 1067360158 /nfs/dbraw/zinc/36/01/58/1067360158.db2.gz WEPUTXQROVRANB-NRFANRHFSA-N 1 1 450.417 4.748 20 0 JJADMO COc1cc(CNC(=O)C[N@@H+](C2CC2)[C@H]2CCCC[C@H]2C2CCCCC2)cc(OC)c1OC ZINC001459601680 1067360762 /nfs/dbraw/zinc/36/07/62/1067360762.db2.gz XVBNGHVYHYPORS-GOTSBHOMSA-N 1 1 458.643 4.932 20 0 JJADMO COc1cc(CNC(=O)C[N@@H+](C2CC2)[C@@H]2CCCC[C@@H]2C2CCCCC2)cc(OC)c1OC ZINC001459601677 1067360921 /nfs/dbraw/zinc/36/09/21/1067360921.db2.gz XVBNGHVYHYPORS-DHIUTWEWSA-N 1 1 458.643 4.932 20 0 JJADMO CC[N@H+](C)C[C@@H]1CCN(C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001459609473 1067362629 /nfs/dbraw/zinc/36/26/29/1067362629.db2.gz MPQQSNBQSWICFK-MBSDFSHPSA-N 1 1 451.438 4.734 20 0 JJADMO CC[N@@H+](C)C[C@@H]1CCN(C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001459609473 1067362636 /nfs/dbraw/zinc/36/26/36/1067362636.db2.gz MPQQSNBQSWICFK-MBSDFSHPSA-N 1 1 451.438 4.734 20 0 JJADMO C[N@H+](CC(=O)NCCN1CCc2ccccc21)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001459619627 1067366042 /nfs/dbraw/zinc/36/60/42/1067366042.db2.gz FQKCDMGTUKAQSJ-SANMLTNESA-N 1 1 451.973 4.679 20 0 JJADMO C[N@@H+](CC(=O)NCCN1CCc2ccccc21)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001459619627 1067366054 /nfs/dbraw/zinc/36/60/54/1067366054.db2.gz FQKCDMGTUKAQSJ-SANMLTNESA-N 1 1 451.973 4.679 20 0 JJADMO CC(C)(C)OC(=O)N1CCC(CCC[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)CC1 ZINC001459626461 1067367458 /nfs/dbraw/zinc/36/74/58/1067367458.db2.gz JTCMJLDMJBEQJF-UHFFFAOYSA-N 1 1 457.659 4.581 20 0 JJADMO COc1ccc(Cl)cc1C[NH+]1CCC(Oc2ccccc2I)CC1 ZINC001459629971 1067368593 /nfs/dbraw/zinc/36/85/93/1067368593.db2.gz SNOBPWFCNHZHEI-UHFFFAOYSA-N 1 1 457.739 4.997 20 0 JJADMO COc1ccc(NC(=O)c2c(NC(=O)C[N@@H+]3CCC[C@@H](C)[C@@H]3C)sc3c2CCCC3)cc1 ZINC001459643803 1067370750 /nfs/dbraw/zinc/37/07/50/1067370750.db2.gz UNNPWGOLZHSGHK-SJORKVTESA-N 1 1 455.624 4.947 20 0 JJADMO COc1ccc(NC(=O)c2c(NC(=O)C[N@H+]3CCC[C@@H](C)[C@@H]3C)sc3c2CCCC3)cc1 ZINC001459643803 1067370761 /nfs/dbraw/zinc/37/07/61/1067370761.db2.gz UNNPWGOLZHSGHK-SJORKVTESA-N 1 1 455.624 4.947 20 0 JJADMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](CCc3cc(Cl)c4c(c3)OCCCO4)C2)cc1 ZINC001459661118 1067374548 /nfs/dbraw/zinc/37/45/48/1067374548.db2.gz DFOZFMGUISEQAM-FQEVSTJZSA-N 1 1 458.002 4.886 20 0 JJADMO CC[N@H+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC1CCN(c2ccccn2)CC1 ZINC001459662566 1067374916 /nfs/dbraw/zinc/37/49/16/1067374916.db2.gz PESUTOPDXZIOSH-UHFFFAOYSA-N 1 1 454.924 4.931 20 0 JJADMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2coc(-c3ccc(I)cc3)n2)C12CCC2 ZINC001459664833 1067376257 /nfs/dbraw/zinc/37/62/57/1067376257.db2.gz BYFXCWWXEPROHU-ZWKOTPCHSA-N 1 1 452.336 4.726 20 0 JJADMO CC[N@@H+](CCCN(C(=O)OC(C)(C)C)C1CC1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001459667934 1067377240 /nfs/dbraw/zinc/37/72/40/1067377240.db2.gz AJQRUSAUWLUXJC-UHFFFAOYSA-N 1 1 459.679 4.989 20 0 JJADMO CN(Cc1ccnc(-c2ccc(Br)cc2)n1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001459676529 1067380667 /nfs/dbraw/zinc/38/06/67/1067380667.db2.gz XKPQIQVAEIVLLW-FQEVSTJZSA-N 1 1 451.412 4.860 20 0 JJADMO O=C(CC[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC001459696127 1067387099 /nfs/dbraw/zinc/38/70/99/1067387099.db2.gz SQKCLVWQXMLILC-UHFFFAOYSA-N 1 1 459.512 4.660 20 0 JJADMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(Br)c3OC(F)F)C2)nc1 ZINC001459701833 1067388613 /nfs/dbraw/zinc/38/86/13/1067388613.db2.gz RXPDHXFJXJAEJV-OAHLLOKOSA-N 1 1 454.315 4.605 20 0 JJADMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(Br)c3OC(F)F)C2)nc1 ZINC001459701833 1067388622 /nfs/dbraw/zinc/38/86/22/1067388622.db2.gz RXPDHXFJXJAEJV-OAHLLOKOSA-N 1 1 454.315 4.605 20 0 JJADMO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC001459708186 1067390254 /nfs/dbraw/zinc/39/02/54/1067390254.db2.gz PHCXMIJNGWKXNG-QGZVFWFLSA-N 1 1 458.528 4.588 20 0 JJADMO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)cs2)cc1 ZINC001459716590 1067394081 /nfs/dbraw/zinc/39/40/81/1067394081.db2.gz CSUXSIVFPWTHLU-APWZRJJASA-N 1 1 459.612 4.722 20 0 JJADMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)cs2)cc1 ZINC001459716590 1067394088 /nfs/dbraw/zinc/39/40/88/1067394088.db2.gz CSUXSIVFPWTHLU-APWZRJJASA-N 1 1 459.612 4.722 20 0 JJADMO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC001459720861 1067395643 /nfs/dbraw/zinc/39/56/43/1067395643.db2.gz JNXBEEKXBXNNRJ-HXUWFJFHSA-N 1 1 452.545 4.958 20 0 JJADMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC001459734095 1067399034 /nfs/dbraw/zinc/39/90/34/1067399034.db2.gz AMWCSXYOHKOKQN-LJQANCHMSA-N 1 1 456.537 4.714 20 0 JJADMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC001459734095 1067399042 /nfs/dbraw/zinc/39/90/42/1067399042.db2.gz AMWCSXYOHKOKQN-LJQANCHMSA-N 1 1 456.537 4.714 20 0 JJADMO COC(=O)Nc1ccc(CNC(=O)C[N@@H+](Cc2ccc(C)cc2)[C@@H]2CCc3ccccc32)cc1 ZINC001459751358 1067406349 /nfs/dbraw/zinc/40/63/49/1067406349.db2.gz ZYHASFNRSSCJCC-AREMUKBSSA-N 1 1 457.574 4.979 20 0 JJADMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2cc(OC)ncc2Br)[C@@H]2CCCC[C@H]12 ZINC001459758299 1067409930 /nfs/dbraw/zinc/40/99/30/1067409930.db2.gz YBXVDAKBOUOTCS-OPMKJXALSA-N 1 1 452.437 4.537 20 0 JJADMO Cc1ccc(S(=O)(=O)N[C@@H](CC[N@H+](C)[C@H](C)Cc2ccc(O)cc2)c2ccccc2)cc1 ZINC001459762269 1067412472 /nfs/dbraw/zinc/41/24/72/1067412472.db2.gz HQSYMRAIZHBQOQ-RLWLMLJZSA-N 1 1 452.620 4.673 20 0 JJADMO CN(CCC1CC[NH+](CC(=O)N[C@H](c2cccs2)C(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC001459771748 1067415567 /nfs/dbraw/zinc/41/55/67/1067415567.db2.gz AFKDOYAGOHTXJO-OAQYLSRUSA-N 1 1 451.677 4.921 20 0 JJADMO COc1cc(C[N@H+](Cc2ccccc2)C[C@]2(O)CCc3ccccc32)c(Br)cn1 ZINC001459794469 1067426638 /nfs/dbraw/zinc/42/66/38/1067426638.db2.gz BAHSPRLCOCUMIK-XMMPIXPASA-N 1 1 453.380 4.689 20 0 JJADMO COc1cc(C[N@@H+](Cc2ccccc2)C[C@]2(O)CCc3ccccc32)c(Br)cn1 ZINC001459794469 1067426643 /nfs/dbraw/zinc/42/66/43/1067426643.db2.gz BAHSPRLCOCUMIK-XMMPIXPASA-N 1 1 453.380 4.689 20 0 JJADMO CCN(C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1nc2ccccc2s1 ZINC001459794239 1067426755 /nfs/dbraw/zinc/42/67/55/1067426755.db2.gz CYNWIEQXSGURQN-JWTNVVGKSA-N 1 1 458.628 4.512 20 0 JJADMO CCC[N@@H+](CC(=O)N[C@H](CC)c1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001459798071 1067427604 /nfs/dbraw/zinc/42/76/04/1067427604.db2.gz LADUQTDVGMLHLR-XMMPIXPASA-N 1 1 456.030 4.924 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(SC(F)F)cc3)C[C@@H]21 ZINC001459805608 1067431311 /nfs/dbraw/zinc/43/13/11/1067431311.db2.gz OADSDJOCUTYCFX-FHLIZLRMSA-N 1 1 455.571 4.565 20 0 JJADMO CCC[C@H]1CN([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC[N@H+]1Cc1ccccc1 ZINC001459815867 1067436096 /nfs/dbraw/zinc/43/60/96/1067436096.db2.gz UUVYWFDPORNZII-UPVQGACJSA-N 1 1 457.565 4.770 20 0 JJADMO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)c(Br)c1 ZINC001459818160 1067437268 /nfs/dbraw/zinc/43/72/68/1067437268.db2.gz IJUFCIPEXANYQM-ZUOKHONESA-N 1 1 453.327 4.578 20 0 JJADMO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 ZINC001459820613 1067438319 /nfs/dbraw/zinc/43/83/19/1067438319.db2.gz SVOFXPBJHVGOEW-IBVKSMDESA-N 1 1 457.574 4.647 20 0 JJADMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 ZINC001459820613 1067438324 /nfs/dbraw/zinc/43/83/24/1067438324.db2.gz SVOFXPBJHVGOEW-IBVKSMDESA-N 1 1 457.574 4.647 20 0 JJADMO O=C(NCc1cccc(OCC(F)(F)F)n1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001459822363 1067439248 /nfs/dbraw/zinc/43/92/48/1067439248.db2.gz OSJZQTGUWZVGLR-FCHUYYIVSA-N 1 1 461.528 4.577 20 0 JJADMO Cn1ncc(I)c1C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC001459834958 1067445837 /nfs/dbraw/zinc/44/58/37/1067445837.db2.gz IWXOCAMPCQFAHZ-GOSISDBHSA-N 1 1 451.739 4.752 20 0 JJADMO CC(C)(C)OC(=O)N1C[C@H]([N@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)[C@H](O)c2ccccc21 ZINC001459835259 1067445913 /nfs/dbraw/zinc/44/59/13/1067445913.db2.gz LCHULOQLVJESPS-OYYPCOLYSA-N 1 1 456.558 4.571 20 0 JJADMO C[N@@H+](C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[C@@H]1CCCC[C@H]1O ZINC001459840123 1067448089 /nfs/dbraw/zinc/44/80/89/1067448089.db2.gz LMSNEAJCVUYVHR-AJSBUHFISA-N 1 1 452.422 4.943 20 0 JJADMO Cc1ccc(-c2csc(NC(=O)[C@H](C)[N@@H+]3CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2)cc1 ZINC001459863128 1067462419 /nfs/dbraw/zinc/46/24/19/1067462419.db2.gz PACDZLHSASNJGW-ZIFCJYIRSA-N 1 1 458.628 4.681 20 0 JJADMO Cc1ccc(-c2csc(NC(=O)[C@H](C)[N@H+]3CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2)cc1 ZINC001459863128 1067462425 /nfs/dbraw/zinc/46/24/25/1067462425.db2.gz PACDZLHSASNJGW-ZIFCJYIRSA-N 1 1 458.628 4.681 20 0 JJADMO C[N@@H+](Cc1ccc(S(=O)(=O)NC2CC2)cc1)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001459870445 1067466838 /nfs/dbraw/zinc/46/68/38/1067466838.db2.gz NMFVYFZNKJULBX-FGZHOGPDSA-N 1 1 452.542 4.914 20 0 JJADMO COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)[N@@H+](C)CCc1ccc(Cl)cc1 ZINC001459875278 1067469408 /nfs/dbraw/zinc/46/94/08/1067469408.db2.gz RZBIJPCVPOUGCH-OAHLLOKOSA-N 1 1 458.908 4.886 20 0 JJADMO Cc1cc(NC(=O)C[NH2+][C@H](COCc2ccccc2)c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC001459885506 1067473132 /nfs/dbraw/zinc/47/31/32/1067473132.db2.gz OTHYHBBZFQUCQM-RUZDIDTESA-N 1 1 458.537 4.806 20 0 JJADMO CC[C@@H]1C[N@H+](Cc2csc(-c3cccc(C(=O)OC)c3)n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001459889803 1067474712 /nfs/dbraw/zinc/47/47/12/1067474712.db2.gz IJMPZJYUMAUXCW-OXQOHEQNSA-N 1 1 459.612 4.722 20 0 JJADMO CC[C@@H]1C[N@@H+](Cc2csc(-c3cccc(C(=O)OC)c3)n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001459889803 1067474715 /nfs/dbraw/zinc/47/47/15/1067474715.db2.gz IJMPZJYUMAUXCW-OXQOHEQNSA-N 1 1 459.612 4.722 20 0 JJADMO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC[C@H]1NC(=O)OC(C)(C)C ZINC001459894752 1067477256 /nfs/dbraw/zinc/47/72/56/1067477256.db2.gz XNNWKSGDEWZEFZ-UECWXEIQSA-N 1 1 457.659 4.756 20 0 JJADMO C[N@@H+](CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001459911585 1067486852 /nfs/dbraw/zinc/48/68/52/1067486852.db2.gz XKQZYTHOTOGZAF-IRLDBZIGSA-N 1 1 457.546 4.803 20 0 JJADMO C[C@@H](N[C@@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001459928311 1067495349 /nfs/dbraw/zinc/49/53/49/1067495349.db2.gz ZEWZERDDIINCGQ-URVUXULASA-N 1 1 452.668 4.944 20 0 JJADMO Cn1cc([C@H]([NH2+]CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)cn1 ZINC001459934280 1067498070 /nfs/dbraw/zinc/49/80/70/1067498070.db2.gz QSIZHBWDYXZYQS-LJQANCHMSA-N 1 1 456.390 4.775 20 0 JJADMO CC(=O)NC1CCC([N@@H+](C)Cc2nnc(-c3ccc4cc(Br)ccc4c3)o2)CC1 ZINC001459940196 1067500268 /nfs/dbraw/zinc/50/02/68/1067500268.db2.gz ZFYKWKUSNQAEGU-UHFFFAOYSA-N 1 1 457.372 4.531 20 0 JJADMO CCC[N@@H+](C)[C@@H](CNC(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001459944948 1067501872 /nfs/dbraw/zinc/50/18/72/1067501872.db2.gz YGTKUBMAPVWTGB-WWNPGLIZSA-N 1 1 458.002 4.544 20 0 JJADMO CO[C@H](C)c1noc(C[N@@H+]2CCCC[C@H]2[C@H](CNC(=O)OC(C)(C)C)Cc2ccccc2)n1 ZINC001459959492 1067507479 /nfs/dbraw/zinc/50/74/79/1067507479.db2.gz COQQSPNQXYJHTF-GIVPXCGWSA-N 1 1 458.603 4.515 20 0 JJADMO CO[C@H](C)c1noc(C[N@H+]2CCCC[C@H]2[C@H](CNC(=O)OC(C)(C)C)Cc2ccccc2)n1 ZINC001459959492 1067507486 /nfs/dbraw/zinc/50/74/86/1067507486.db2.gz COQQSPNQXYJHTF-GIVPXCGWSA-N 1 1 458.603 4.515 20 0 JJADMO Cc1cc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](Cn3cnc4ccccc43)C2)ccc1Br ZINC001459958665 1067507777 /nfs/dbraw/zinc/50/77/77/1067507777.db2.gz GWPSVIPISRTHDG-ZWKOTPCHSA-N 1 1 455.400 4.846 20 0 JJADMO CO[C@H](C)c1noc(C[N@@H+]2CCCC[C@@H]2[C@H](CNC(=O)OC(C)(C)C)Cc2ccccc2)n1 ZINC001459959501 1067507803 /nfs/dbraw/zinc/50/78/03/1067507803.db2.gz COQQSPNQXYJHTF-HLAWJBBLSA-N 1 1 458.603 4.515 20 0 JJADMO CO[C@H](C)c1noc(C[N@H+]2CCCC[C@@H]2[C@H](CNC(=O)OC(C)(C)C)Cc2ccccc2)n1 ZINC001459959501 1067507811 /nfs/dbraw/zinc/50/78/11/1067507811.db2.gz COQQSPNQXYJHTF-HLAWJBBLSA-N 1 1 458.603 4.515 20 0 JJADMO CC[C@@H](Cc1ccccc1Br)[N@@H+](C)CC(=O)N[C@H](c1ccc(OC)cc1)C1CC1 ZINC001459978263 1067513513 /nfs/dbraw/zinc/51/35/13/1067513513.db2.gz CVTZFERDLZWLPB-RDPSFJRHSA-N 1 1 459.428 4.978 20 0 JJADMO COc1ccc2c(c1)C[C@H](C[N@H+](Cc1ccccc1)C[C@H](O)c1cccc(OC(F)F)c1)O2 ZINC001459978978 1067513989 /nfs/dbraw/zinc/51/39/89/1067513989.db2.gz CPSYWIXCDOHHTO-RPWUZVMVSA-N 1 1 455.501 4.836 20 0 JJADMO Cn1c2ccccc2nc1[C@@H]([NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC001459987663 1067516473 /nfs/dbraw/zinc/51/64/73/1067516473.db2.gz UBNSLKOAYAVJOX-CVDCTZTESA-N 1 1 456.373 4.999 20 0 JJADMO CC[C@@]1(CO)CCC[N@@H+](C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001459992129 1067518468 /nfs/dbraw/zinc/51/84/68/1067518468.db2.gz FWPTYEPFMQGGMC-LADGPHEKSA-N 1 1 452.422 4.945 20 0 JJADMO Cc1cccc(Oc2ccc(NC(=O)C[N@@H+]3CC[C@@](C)(CNC(=O)OC(C)(C)C)C3)cc2)c1 ZINC001460007690 1067524803 /nfs/dbraw/zinc/52/48/03/1067524803.db2.gz JLEWFHSBUHYWDN-SANMLTNESA-N 1 1 453.583 4.963 20 0 JJADMO Cc1cccc(Oc2ccc(NC(=O)C[N@H+]3CC[C@@](C)(CNC(=O)OC(C)(C)C)C3)cc2)c1 ZINC001460007690 1067524814 /nfs/dbraw/zinc/52/48/14/1067524814.db2.gz JLEWFHSBUHYWDN-SANMLTNESA-N 1 1 453.583 4.963 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC001460009002 1067525659 /nfs/dbraw/zinc/52/56/59/1067525659.db2.gz PCBDVTJTXWEAMO-RCZVLFRGSA-N 1 1 457.640 4.581 20 0 JJADMO O=C1[C@@H]([NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CCN1c1ccc(Cl)c(F)c1 ZINC001460014029 1067527383 /nfs/dbraw/zinc/52/73/83/1067527383.db2.gz ALKXSXDDMLSLNJ-DLBZAZTESA-N 1 1 451.247 4.580 20 0 JJADMO Cc1c(Cl)cccc1N1CCCN(C(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC001460014811 1067527650 /nfs/dbraw/zinc/52/76/50/1067527650.db2.gz NQYJACNDCBLJLS-PMACEKPBSA-N 1 1 456.030 4.610 20 0 JJADMO C[N@H+](CCC(F)(F)F)[C@@H](CNC(=O)c1cnn(-c2ccccc2)c1)c1ccc(Cl)cc1 ZINC001460017697 1067529731 /nfs/dbraw/zinc/52/97/31/1067529731.db2.gz SPWIZFTWYMWERV-FQEVSTJZSA-N 1 1 450.892 4.881 20 0 JJADMO C[N@@H+](CCC(F)(F)F)[C@@H](CNC(=O)c1cnn(-c2ccccc2)c1)c1ccc(Cl)cc1 ZINC001460017697 1067529740 /nfs/dbraw/zinc/52/97/40/1067529740.db2.gz SPWIZFTWYMWERV-FQEVSTJZSA-N 1 1 450.892 4.881 20 0 JJADMO CCOc1ccccc1[C@H](CC)NC(=O)C[NH+]1CCC(F)(c2cc(OC)cc(OC)c2)CC1 ZINC001460018420 1067529759 /nfs/dbraw/zinc/52/97/59/1067529759.db2.gz DADNQVHWZQHYJN-QHCPKHFHSA-N 1 1 458.574 4.631 20 0 JJADMO CCC[N@@H+](CCOc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC001460020135 1067531059 /nfs/dbraw/zinc/53/10/59/1067531059.db2.gz UMFQPHDZNRWCLJ-QGZVFWFLSA-N 1 1 459.805 4.585 20 0 JJADMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC001460039527 1067536521 /nfs/dbraw/zinc/53/65/21/1067536521.db2.gz LKZBYZCQXZOWOY-YCZSINBZSA-N 1 1 455.624 4.591 20 0 JJADMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1 ZINC001460041503 1067537119 /nfs/dbraw/zinc/53/71/19/1067537119.db2.gz SGJBPPAAFRUFBA-HXUWFJFHSA-N 1 1 458.400 4.566 20 0 JJADMO C[C@H]([NH2+]CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)c1ccc(Br)cn1 ZINC001460042380 1067537143 /nfs/dbraw/zinc/53/71/43/1067537143.db2.gz ZBTRHPKKXCHAGF-JTSKRJEESA-N 1 1 450.380 4.669 20 0 JJADMO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC001460046867 1067538227 /nfs/dbraw/zinc/53/82/27/1067538227.db2.gz ACLYBQKVUZCHSD-BVFVYWQFSA-N 1 1 472.651 4.873 20 0 JJADMO CCOC(=O)c1sc(NC(=O)C[N@@H+](C)[C@H]2CCC(C)(C)C2)c(C(=O)OC(C)(C)C)c1C ZINC001460046157 1067538364 /nfs/dbraw/zinc/53/83/64/1067538364.db2.gz CSMGPHHFUNDHEW-HNNXBMFYSA-N 1 1 452.617 4.638 20 0 JJADMO CCOC(=O)c1sc(NC(=O)C[N@@H+](C)[C@@H]2CCC(C)(C)C2)c(C(=O)OC(C)(C)C)c1C ZINC001460046160 1067538399 /nfs/dbraw/zinc/53/83/99/1067538399.db2.gz CSMGPHHFUNDHEW-OAHLLOKOSA-N 1 1 452.617 4.638 20 0 JJADMO CO[C@@]1(C)CCC[N@H+](CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)C1 ZINC001460049386 1067539192 /nfs/dbraw/zinc/53/91/92/1067539192.db2.gz LKQRTJDKYCDVHP-VWLOTQADSA-N 1 1 453.583 4.983 20 0 JJADMO CO[C@@]1(C)CCC[N@@H+](CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)C1 ZINC001460049386 1067539200 /nfs/dbraw/zinc/53/92/00/1067539200.db2.gz LKQRTJDKYCDVHP-VWLOTQADSA-N 1 1 453.583 4.983 20 0 JJADMO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2CCCC2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC001460057498 1067541425 /nfs/dbraw/zinc/54/14/25/1067541425.db2.gz WPFASWGIYHOLJK-LJQANCHMSA-N 1 1 451.633 4.884 20 0 JJADMO CCOC(=O)c1csc([C@H]2CCC[N@H+]2CCCC2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC001460057498 1067541432 /nfs/dbraw/zinc/54/14/32/1067541432.db2.gz WPFASWGIYHOLJK-LJQANCHMSA-N 1 1 451.633 4.884 20 0 JJADMO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2cc3c(cc2Cl)OCCO3)CC1 ZINC001460106777 1067556601 /nfs/dbraw/zinc/55/66/01/1067556601.db2.gz RWZAYUJWZMNFSU-OAQYLSRUSA-N 1 1 451.007 4.969 20 0 JJADMO CCc1cc2c(C[N@H+]3CCC[C@H]([C@@H]4CCN(C(=O)OC(C)(C)C)C4)C3)cc(=O)oc2cc1O ZINC001460113829 1067557918 /nfs/dbraw/zinc/55/79/18/1067557918.db2.gz YXNNLOKBAJUCLC-RBUKOAKNSA-N 1 1 456.583 4.530 20 0 JJADMO CCc1cc2c(C[N@H+]3CCC[C@@H]([C@@H]4CCN(C(=O)OC(C)(C)C)C4)C3)cc(=O)oc2cc1O ZINC001460113835 1067557976 /nfs/dbraw/zinc/55/79/76/1067557976.db2.gz YXNNLOKBAJUCLC-RTBURBONSA-N 1 1 456.583 4.530 20 0 JJADMO Cc1cccc(CNC(=O)c2ccc(C(=O)N3CC[N@@H+](Cc4ccccc4)C[C@@H](C)C3)cc2)c1 ZINC001460122427 1067559331 /nfs/dbraw/zinc/55/93/31/1067559331.db2.gz UQYZCSQRUOQGKT-HSZRJFAPSA-N 1 1 455.602 4.519 20 0 JJADMO COC(=O)c1ccc(-c2nc(C[NH2+][C@H](CCO)c3cccc(C(F)(F)F)c3)cs2)cc1 ZINC001460137815 1067562709 /nfs/dbraw/zinc/56/27/09/1067562709.db2.gz AFUOIFPPOYBNTK-LJQANCHMSA-N 1 1 450.482 4.829 20 0 JJADMO CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2ccc(OCc3ccccc3F)cc2)CC1 ZINC001460146303 1067564663 /nfs/dbraw/zinc/56/46/63/1067564663.db2.gz VYTVHCQSXMXWCL-UHFFFAOYSA-N 1 1 453.583 4.874 20 0 JJADMO COc1ccc([C@H](O)C2CC[NH+](CC(=O)N[C@H](c3ccccc3)C3CCCCC3)CC2)cc1 ZINC001460152045 1067566054 /nfs/dbraw/zinc/56/60/54/1067566054.db2.gz STWLZRQUVMWLMA-IZLXSDGUSA-N 1 1 450.623 4.878 20 0 JJADMO CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)C[N@@H+](C)C1CC(OCC)C1 ZINC001460168900 1067568885 /nfs/dbraw/zinc/56/88/85/1067568885.db2.gz BHMKBOQFNVLLPV-UHFFFAOYSA-N 1 1 450.988 4.683 20 0 JJADMO CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)C[N@H+](C)C1CC(OCC)C1 ZINC001460168900 1067568890 /nfs/dbraw/zinc/56/88/90/1067568890.db2.gz BHMKBOQFNVLLPV-UHFFFAOYSA-N 1 1 450.988 4.683 20 0 JJADMO CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CC[N@@H+]1CC(=O)NCC1(c2ccccc2)CC1 ZINC001460169107 1067569291 /nfs/dbraw/zinc/56/92/91/1067569291.db2.gz IWZAFULOQWTUIQ-RUZDIDTESA-N 1 1 454.058 4.720 20 0 JJADMO CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CC[N@H+]1CC(=O)NCC1(c2ccccc2)CC1 ZINC001460169107 1067569296 /nfs/dbraw/zinc/56/92/96/1067569296.db2.gz IWZAFULOQWTUIQ-RUZDIDTESA-N 1 1 454.058 4.720 20 0 JJADMO O[C@H](C[N@@H+](CCc1ccc(Cl)cc1)CCc1ccc2c(c1)OC(F)(F)O2)C(F)(F)F ZINC001460175270 1067570982 /nfs/dbraw/zinc/57/09/82/1067570982.db2.gz MKPDEMBDLJJBMA-GOSISDBHSA-N 1 1 451.819 4.672 20 0 JJADMO C[C@@H]([NH2+]Cc1cc2c(cc1Br)OCCCO2)c1ccc(N2CCCCC2=O)cc1 ZINC001460175182 1067571169 /nfs/dbraw/zinc/57/11/69/1067571169.db2.gz YUBGHWBMRAXTIU-MRXNPFEDSA-N 1 1 459.384 4.978 20 0 JJADMO O=C(CC[N@@H+]1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1)Nc1cc(F)cc(F)c1 ZINC001460181181 1067572599 /nfs/dbraw/zinc/57/25/99/1067572599.db2.gz RLIHWGZFGTWXOZ-YCRPNKLZSA-N 1 1 453.327 4.502 20 0 JJADMO COc1ccc([C@H](Cc2ccccc2)[NH2+]Cc2nnnn2-c2ccc(C(F)(F)F)cc2)cc1 ZINC001460199886 1067577598 /nfs/dbraw/zinc/57/75/98/1067577598.db2.gz XBQMSRQFBNEEKE-QFIPXVFZSA-N 1 1 453.468 4.763 20 0 JJADMO COC(=O)[C@@H]1C[N@@H+](Cc2cccc(OCC(F)(F)F)c2Br)C[C@@H]1c1ccccc1 ZINC001460203667 1067578146 /nfs/dbraw/zinc/57/81/46/1067578146.db2.gz OHHBOQDJNYVEBM-IAGOWNOFSA-N 1 1 472.301 4.779 20 0 JJADMO CC(C)(C)OC(=O)N1C[C@@H](O)[C@H]([N@H+](Cc2ccccc2)Cc2ccc3ccc(Cl)cc3n2)C1 ZINC001460205800 1067578565 /nfs/dbraw/zinc/57/85/65/1067578565.db2.gz BGQHDLAKWYYTNN-DNQXCXABSA-N 1 1 467.997 4.871 20 0 JJADMO CC(C)(C)OC(=O)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccccc2)Cc2ccc3ccc(Cl)cc3n2)C1 ZINC001460205800 1067578572 /nfs/dbraw/zinc/57/85/72/1067578572.db2.gz BGQHDLAKWYYTNN-DNQXCXABSA-N 1 1 467.997 4.871 20 0 JJADMO C[C@H]1CC[N@@H+](CC(=O)N(Cc2ccccc2)c2ccccc2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460206512 1067579040 /nfs/dbraw/zinc/57/90/40/1067579040.db2.gz SHNBTDXPWIJORQ-JTHBVZDNSA-N 1 1 451.611 4.703 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](CCC(=O)Nc2cc(F)cc(F)c2)CC[C@H]1c1ccc(F)cc1 ZINC001460207964 1067579290 /nfs/dbraw/zinc/57/92/90/1067579290.db2.gz NBOPTDLGHJAMQF-FCHUYYIVSA-N 1 1 477.527 4.815 20 0 JJADMO COc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)c(Br)c1 ZINC001460210187 1067580119 /nfs/dbraw/zinc/58/01/19/1067580119.db2.gz IDQGWQGOCKGZRG-QZTJIDSGSA-N 1 1 472.408 4.769 20 0 JJADMO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001460211210 1067580517 /nfs/dbraw/zinc/58/05/17/1067580517.db2.gz YHHTXFVGOSIXFM-INIZCTEOSA-N 1 1 453.986 4.919 20 0 JJADMO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1ccccc1C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001460230681 1067584918 /nfs/dbraw/zinc/58/49/18/1067584918.db2.gz XETPESCFGBJHLA-IDNQLYMWSA-N 1 1 458.668 4.559 20 0 JJADMO C[N@H+](CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1)C1CCN(CCC(F)(F)F)CC1 ZINC001460231612 1067585344 /nfs/dbraw/zinc/58/53/44/1067585344.db2.gz ZPXYOBKEHCCQEG-QFIPXVFZSA-N 1 1 453.593 4.996 20 0 JJADMO C[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1)C1CCN(CCC(F)(F)F)CC1 ZINC001460231612 1067585350 /nfs/dbraw/zinc/58/53/50/1067585350.db2.gz ZPXYOBKEHCCQEG-QFIPXVFZSA-N 1 1 453.593 4.996 20 0 JJADMO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1nn(-c2ccccc2)c2c1CCC2)C(C)C ZINC001460247962 1067590693 /nfs/dbraw/zinc/59/06/93/1067590693.db2.gz WSUCBJCGDFCLHH-OAQYLSRUSA-N 1 1 451.636 4.733 20 0 JJADMO CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1nn(-c2ccccc2)c2c1CCC2)C(C)C ZINC001460247962 1067590700 /nfs/dbraw/zinc/59/07/00/1067590700.db2.gz WSUCBJCGDFCLHH-OAQYLSRUSA-N 1 1 451.636 4.733 20 0 JJADMO C[C@@H]1C[C@H](C)[N@@H+](CCc2cc(Cl)c3c(c2)OCCCO3)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460269628 1067594232 /nfs/dbraw/zinc/59/42/32/1067594232.db2.gz GJBMPBXBYPYULM-ZIFCJYIRSA-N 1 1 453.023 4.915 20 0 JJADMO C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001460269820 1067594335 /nfs/dbraw/zinc/59/43/35/1067594335.db2.gz HBQPFRUQHKDEFF-YGDRIEADSA-N 1 1 457.659 4.905 20 0 JJADMO C[C@H]1CC2(C[N@H+]1Cc1cccc(C(=O)N3CCCCC3)c1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001460279076 1067596606 /nfs/dbraw/zinc/59/66/06/1067596606.db2.gz XZVGLRDQLUQNGZ-NRFANRHFSA-N 1 1 455.643 4.924 20 0 JJADMO C[C@@H]1CC2(C[N@H+]1C[C@H](O)c1ccccc1Br)CCN(C(=O)OC(C)(C)C)CC2 ZINC001460279156 1067596651 /nfs/dbraw/zinc/59/66/51/1067596651.db2.gz YCQSPBDXJZFBDT-APWZRJJASA-N 1 1 453.421 4.594 20 0 JJADMO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)C[C@H]1c1ccc(F)cc1F ZINC001460279904 1067596943 /nfs/dbraw/zinc/59/69/43/1067596943.db2.gz VGNZVJMPVVLYND-WDIJOQRFSA-N 1 1 466.528 4.572 20 0 JJADMO COC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)C[C@H]1c1ccc(F)cc1F ZINC001460279904 1067596949 /nfs/dbraw/zinc/59/69/49/1067596949.db2.gz VGNZVJMPVVLYND-WDIJOQRFSA-N 1 1 466.528 4.572 20 0 JJADMO COC(=O)[C@@H]1C[N@@H+](Cc2oc(-c3ccccc3)nc2C)C[C@H]1c1ccc(Br)cc1 ZINC001460280614 1067597578 /nfs/dbraw/zinc/59/75/78/1067597578.db2.gz YTHOGEPUJWDKTF-VQTJNVASSA-N 1 1 455.352 4.801 20 0 JJADMO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001460300056 1067601422 /nfs/dbraw/zinc/60/14/22/1067601422.db2.gz CDXSACSGCZICMU-TYCQWZJGSA-N 1 1 473.411 4.833 20 0 JJADMO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001460300056 1067601425 /nfs/dbraw/zinc/60/14/25/1067601425.db2.gz CDXSACSGCZICMU-TYCQWZJGSA-N 1 1 473.411 4.833 20 0 JJADMO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)c(Cl)c1 ZINC001460300030 1067601471 /nfs/dbraw/zinc/60/14/71/1067601471.db2.gz BLRFLLPZJFZXIT-AZUAARDMSA-N 1 1 459.993 4.841 20 0 JJADMO Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)c(Cl)c1 ZINC001460300030 1067601473 /nfs/dbraw/zinc/60/14/73/1067601473.db2.gz BLRFLLPZJFZXIT-AZUAARDMSA-N 1 1 459.993 4.841 20 0 JJADMO COC(=O)[C@@H]1C[N@@H+](Cc2coc(-c3ccc(F)c(C(F)(F)F)c3)n2)C[C@H]1c1ccc(O)cc1 ZINC001460306707 1067603828 /nfs/dbraw/zinc/60/38/28/1067603828.db2.gz HADHCLOLHJEOTR-ZWKOTPCHSA-N 1 1 464.415 4.594 20 0 JJADMO COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)C[C@H]1c1ccccc1 ZINC001460315216 1067605803 /nfs/dbraw/zinc/60/58/03/1067605803.db2.gz KZUOTZCVPZODTP-LEWJYISDSA-N 1 1 463.603 4.562 20 0 JJADMO COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)C[C@H]1c1ccccc1 ZINC001460315216 1067605806 /nfs/dbraw/zinc/60/58/06/1067605806.db2.gz KZUOTZCVPZODTP-LEWJYISDSA-N 1 1 463.603 4.562 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ncc(-c3ccccc3F)o2)C1 ZINC001460317702 1067606299 /nfs/dbraw/zinc/60/62/99/1067606299.db2.gz NHJCNDYEJYOWPG-DUXKGJEZSA-N 1 1 459.562 4.908 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ncc(-c3ccccc3F)o2)C1 ZINC001460317702 1067606315 /nfs/dbraw/zinc/60/63/15/1067606315.db2.gz NHJCNDYEJYOWPG-DUXKGJEZSA-N 1 1 459.562 4.908 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2C[C@H](O)c2cccc3ccccc32)C1 ZINC001460318646 1067606751 /nfs/dbraw/zinc/60/67/51/1067606751.db2.gz SHJVHSKHKIABPR-GATIMQMVSA-N 1 1 454.611 4.800 20 0 JJADMO C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)CCc3cc(Cl)c4c(c3)OCCCO4)cc2)C[C@H](C)O1 ZINC001460319291 1067606814 /nfs/dbraw/zinc/60/68/14/1067606814.db2.gz VLBDGRMHZLSOAX-BGYRXZFFSA-N 1 1 459.030 4.785 20 0 JJADMO C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)CCc3cc(Cl)c4c(c3)OCCCO4)cc2)C[C@H](C)O1 ZINC001460319291 1067606816 /nfs/dbraw/zinc/60/68/16/1067606816.db2.gz VLBDGRMHZLSOAX-BGYRXZFFSA-N 1 1 459.030 4.785 20 0 JJADMO C[C@@H]1CN(Cc2ccc(C[N@H+](C)CCc3cc(Cl)c4c(c3)OCCCO4)cc2)C[C@H](C)O1 ZINC001460319291 1067606824 /nfs/dbraw/zinc/60/68/24/1067606824.db2.gz VLBDGRMHZLSOAX-BGYRXZFFSA-N 1 1 459.030 4.785 20 0 JJADMO C[C@@H]1CN(Cc2ccc(C[N@@H+](C)CCc3cc(Cl)c4c(c3)OCCCO4)cc2)C[C@H](C)O1 ZINC001460319291 1067606827 /nfs/dbraw/zinc/60/68/27/1067606827.db2.gz VLBDGRMHZLSOAX-BGYRXZFFSA-N 1 1 459.030 4.785 20 0 JJADMO Cc1ccc(C(=O)N2CC[N@H+](CCCc3ccccc3)C[C@@H]2CC(C)C)c(Br)n1 ZINC001460324259 1067608070 /nfs/dbraw/zinc/60/80/70/1067608070.db2.gz IQOJRXLFKUMVDM-NRFANRHFSA-N 1 1 458.444 4.958 20 0 JJADMO CC(=O)N(c1nc(C[NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)cs1)c1ccc(C)cc1 ZINC001460325060 1067608529 /nfs/dbraw/zinc/60/85/29/1067608529.db2.gz GHOSOULUBYUWME-VQTJNVASSA-N 1 1 458.628 4.918 20 0 JJADMO CC(C)c1ccc(CN2CCN(C(=O)C[N@H+]3CCc4ccc(Cl)cc4[C@H](C)C3)CC2)cc1 ZINC001460335582 1067610987 /nfs/dbraw/zinc/61/09/87/1067610987.db2.gz HFZALTGLQREITP-OAQYLSRUSA-N 1 1 454.058 4.769 20 0 JJADMO O=C(c1ccc(Br)o1)N(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001460353461 1067615355 /nfs/dbraw/zinc/61/53/55/1067615355.db2.gz ZITJZTQWJYOHBR-FQEVSTJZSA-N 1 1 454.368 4.744 20 0 JJADMO CCO[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460353014 1067615424 /nfs/dbraw/zinc/61/54/24/1067615424.db2.gz TXPSNZAZWQFEMF-NFBKMPQASA-N 1 1 476.017 4.676 20 0 JJADMO CCO[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460353014 1067615429 /nfs/dbraw/zinc/61/54/29/1067615429.db2.gz TXPSNZAZWQFEMF-NFBKMPQASA-N 1 1 476.017 4.676 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ncc(-c4ccccc4F)o3)C2)C1 ZINC001460360600 1067617888 /nfs/dbraw/zinc/61/78/88/1067617888.db2.gz CWMKWJSCJYESRH-OPYAIIAOSA-N 1 1 459.562 4.765 20 0 JJADMO CCc1ccc([C@H](NC(=O)C[N@H+]2CC[C@H](C(=O)OC)[C@@H]3CCCC[C@@H]32)c2cccs2)cc1 ZINC001460368417 1067620096 /nfs/dbraw/zinc/62/00/96/1067620096.db2.gz XXGSVCXIABOYNP-UEOMBKFZSA-N 1 1 454.636 4.570 20 0 JJADMO COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)c1C ZINC001460376248 1067621261 /nfs/dbraw/zinc/62/12/61/1067621261.db2.gz VHPFYGAZIWDTOB-QFIPXVFZSA-N 1 1 452.473 4.597 20 0 JJADMO CC(=O)Nc1ccc(S[C@@H](C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001460401104 1067627221 /nfs/dbraw/zinc/62/72/21/1067627221.db2.gz SNTAERRZLRTKRX-CAADTVGGSA-N 1 1 451.636 4.828 20 0 JJADMO C[C@@H]1CN(c2ccc(NC(=O)C[N@H+]3CCC[C@@]3(C)Cc3ccccc3Cl)cc2)C[C@@H](C)O1 ZINC001460404150 1067627656 /nfs/dbraw/zinc/62/76/56/1067627656.db2.gz NEGRECBEWPAIFM-KYTVRQNUSA-N 1 1 456.030 4.989 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3)nc2)CC[C@@H]1C(F)(F)F ZINC001460440533 1067635403 /nfs/dbraw/zinc/63/54/03/1067635403.db2.gz AYBSGFLSJVJEBQ-MOPGFXCFSA-N 1 1 450.505 4.669 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)nc2)CC[C@@H]1C(F)(F)F ZINC001460440533 1067635409 /nfs/dbraw/zinc/63/54/09/1067635409.db2.gz AYBSGFLSJVJEBQ-MOPGFXCFSA-N 1 1 450.505 4.669 20 0 JJADMO CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001460439942 1067635436 /nfs/dbraw/zinc/63/54/36/1067635436.db2.gz IUQZUJDNAXUQAE-QHCPKHFHSA-N 1 1 459.631 4.613 20 0 JJADMO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2cnc(-c3ccccc3)nc2)CC[C@H]1C(F)(F)F ZINC001460440537 1067635476 /nfs/dbraw/zinc/63/54/76/1067635476.db2.gz AYBSGFLSJVJEBQ-RBUKOAKNSA-N 1 1 450.505 4.669 20 0 JJADMO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2cnc(-c3ccccc3)nc2)CC[C@H]1C(F)(F)F ZINC001460440537 1067635477 /nfs/dbraw/zinc/63/54/77/1067635477.db2.gz AYBSGFLSJVJEBQ-RBUKOAKNSA-N 1 1 450.505 4.669 20 0 JJADMO O=C(C[NH+]1CCC([C@H]2CCCCO2)CC1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC001460441927 1067635612 /nfs/dbraw/zinc/63/56/12/1067635612.db2.gz DFSCRQKYFMHZEC-HSZRJFAPSA-N 1 1 455.986 4.812 20 0 JJADMO Ic1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4CCCCO4)C3)co2)cc1 ZINC001460452091 1067637061 /nfs/dbraw/zinc/63/70/61/1067637061.db2.gz KRTFPEDMQDZFDD-LPHOPBHVSA-N 1 1 452.336 4.727 20 0 JJADMO CC(C)OCc1ccc(CNC(=O)C[NH2+][C@H](C)c2cc(F)c(Br)cc2F)cc1 ZINC001460453269 1067637090 /nfs/dbraw/zinc/63/70/90/1067637090.db2.gz WCMGISBWAMNAKR-CQSZACIVSA-N 1 1 455.343 4.619 20 0 JJADMO C[C@@H]1C[N@H+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)CC[C@H]1C(=O)OC(C)(C)C ZINC001460459896 1067637991 /nfs/dbraw/zinc/63/79/91/1067637991.db2.gz QBRKNDRLBQDQJY-DRMXPCRNSA-N 1 1 454.636 4.522 20 0 JJADMO C[C@@H]1C[N@@H+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)CC[C@H]1C(=O)OC(C)(C)C ZINC001460459896 1067637998 /nfs/dbraw/zinc/63/79/98/1067637998.db2.gz QBRKNDRLBQDQJY-DRMXPCRNSA-N 1 1 454.636 4.522 20 0 JJADMO CC(C)c1ccc(CN(C(=O)C[N@@H+]2CC[C@@H](C)C[C@H]2CNC(=O)OC(C)(C)C)C2CC2)cc1 ZINC001460466317 1067639156 /nfs/dbraw/zinc/63/91/56/1067639156.db2.gz ZSMHXEDIDKJSEI-YKSBVNFPSA-N 1 1 457.659 4.926 20 0 JJADMO CC(C)c1ccc(CN(C(=O)C[N@H+]2CC[C@@H](C)C[C@H]2CNC(=O)OC(C)(C)C)C2CC2)cc1 ZINC001460466317 1067639162 /nfs/dbraw/zinc/63/91/62/1067639162.db2.gz ZSMHXEDIDKJSEI-YKSBVNFPSA-N 1 1 457.659 4.926 20 0 JJADMO COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3cc(Cl)ccc3OCc3cccnc3)C2)s1 ZINC001460525490 1067649778 /nfs/dbraw/zinc/64/97/78/1067649778.db2.gz JOZMHSRVXVSNFT-KRWDZBQOSA-N 1 1 457.983 4.937 20 0 JJADMO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3OCc3cccnc3)C2)s1 ZINC001460525490 1067649781 /nfs/dbraw/zinc/64/97/81/1067649781.db2.gz JOZMHSRVXVSNFT-KRWDZBQOSA-N 1 1 457.983 4.937 20 0 JJADMO Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+]2Cc3cnn(-c4ccccc4F)c3CC(C)(C)C2)c1 ZINC001460536861 1067652501 /nfs/dbraw/zinc/65/25/01/1067652501.db2.gz AMGHCMUVVADNAE-IBGZPJMESA-N 1 1 457.977 4.797 20 0 JJADMO CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)[C@H]1CCN(CC(F)(F)F)C1 ZINC001460538504 1067653267 /nfs/dbraw/zinc/65/32/67/1067653267.db2.gz NIXSDIVLIZXMDG-MAUKXSAKSA-N 1 1 452.348 4.615 20 0 JJADMO Cc1ccc(C)c(Sc2ccc(NC(=O)CN3CCC([N@H+]4CCCOCC4)CC3)cc2)c1 ZINC001460560296 1067656006 /nfs/dbraw/zinc/65/60/06/1067656006.db2.gz KQIVUSWFKAHWLB-UHFFFAOYSA-N 1 1 453.652 4.580 20 0 JJADMO CC1(C)[C@H](c2ccc(C(F)(F)F)cc2)CC[N@H+]1CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC001460636946 1067680943 /nfs/dbraw/zinc/68/09/43/1067680943.db2.gz LBBIHSRPJSXJRZ-XXBNENTESA-N 1 1 459.556 4.916 20 0 JJADMO C[C@@]1(Cc2ccc(F)c(C(F)(F)F)c2)CCC[N@H+]1CC(=O)NCCOc1cccc(F)c1 ZINC001460642065 1067682821 /nfs/dbraw/zinc/68/28/21/1067682821.db2.gz BTHPMPJZHMLBMZ-QFIPXVFZSA-N 1 1 456.455 4.576 20 0 JJADMO Cc1ccc(S(=O)(=O)N[C@H](C[N@@H+]2CCC[C@](F)(c3ccccc3)C2)c2ccccc2)cc1 ZINC001460647631 1067685276 /nfs/dbraw/zinc/68/52/76/1067685276.db2.gz ANFMRAPGFYIENP-CLJLJLNGSA-N 1 1 452.595 4.975 20 0 JJADMO Cc1ccc(S(=O)(=O)N[C@H](C[N@H+]2CCC[C@](F)(c3ccccc3)C2)c2ccccc2)cc1 ZINC001460647631 1067685279 /nfs/dbraw/zinc/68/52/79/1067685279.db2.gz ANFMRAPGFYIENP-CLJLJLNGSA-N 1 1 452.595 4.975 20 0 JJADMO Cc1ccc(S(=O)(=O)N[C@@H](C[N@@H+]2CCC[C@](F)(c3ccccc3)C2)c2ccccc2)cc1 ZINC001460647638 1067685331 /nfs/dbraw/zinc/68/53/31/1067685331.db2.gz ANFMRAPGFYIENP-IZZNHLLZSA-N 1 1 452.595 4.975 20 0 JJADMO Cc1ccc(S(=O)(=O)N[C@@H](C[N@H+]2CCC[C@](F)(c3ccccc3)C2)c2ccccc2)cc1 ZINC001460647638 1067685334 /nfs/dbraw/zinc/68/53/34/1067685334.db2.gz ANFMRAPGFYIENP-IZZNHLLZSA-N 1 1 452.595 4.975 20 0 JJADMO Cc1ccc(S(=O)(=O)N[C@@H](CC[N@H+]2CCC[C@@H](OC3CCC3)CC2)c2ccccc2)cc1 ZINC001460654461 1067688848 /nfs/dbraw/zinc/68/88/48/1067688848.db2.gz VXOSNNRQKNUDDV-RSXGOPAZSA-N 1 1 456.652 4.828 20 0 JJADMO CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCC[C@H]2Cc2cccc(Oc3ccccc3)c2)s1 ZINC001460658994 1067691532 /nfs/dbraw/zinc/69/15/32/1067691532.db2.gz GNCBVKPORZGDJA-FQEVSTJZSA-N 1 1 456.633 4.998 20 0 JJADMO COc1cc(Br)ccc1CCC[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C ZINC001460662453 1067692454 /nfs/dbraw/zinc/69/24/54/1067692454.db2.gz UAUBGODNGNKDNI-MOPGFXCFSA-N 1 1 453.421 4.864 20 0 JJADMO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001460675701 1067697055 /nfs/dbraw/zinc/69/70/55/1067697055.db2.gz PLVRACGGQTZILA-OAQYLSRUSA-N 1 1 459.631 4.859 20 0 JJADMO O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001460681828 1067699686 /nfs/dbraw/zinc/69/96/86/1067699686.db2.gz SVEBYFQPBXRHGI-FQEVSTJZSA-N 1 1 452.986 4.741 20 0 JJADMO CC(C)(C)OC(=O)NCc1cccc(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001460682456 1067700054 /nfs/dbraw/zinc/70/00/54/1067700054.db2.gz XIYXNEDBVGORQQ-QHCPKHFHSA-N 1 1 451.611 4.743 20 0 JJADMO CCOC(=O)c1c(NC(=O)C[NH2+][C@@H]2CCCn3nccc32)sc(Cl)c1-c1ccccc1 ZINC001460682255 1067700127 /nfs/dbraw/zinc/70/01/27/1067700127.db2.gz BZDVHAKUFWPFKB-OAHLLOKOSA-N 1 1 458.971 4.505 20 0 JJADMO Cc1ccc(Oc2ccccc2NC(=O)C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1 ZINC001460698259 1067703847 /nfs/dbraw/zinc/70/38/47/1067703847.db2.gz UGHOKFDYVWHDSC-XUZZJYLKSA-N 1 1 458.480 4.850 20 0 JJADMO CC[C@H](NC(=O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)CCC12CCC2)c1ccc(Cl)cc1 ZINC001460703499 1067704887 /nfs/dbraw/zinc/70/48/87/1067704887.db2.gz PTLAXJQHGSYVFN-FQEVSTJZSA-N 1 1 450.023 4.773 20 0 JJADMO CC[C@H](NC(=O)C[N@H+]1CCN(C(=O)OC(C)(C)C)CCC12CCC2)c1ccc(Cl)cc1 ZINC001460703499 1067704900 /nfs/dbraw/zinc/70/49/00/1067704900.db2.gz PTLAXJQHGSYVFN-FQEVSTJZSA-N 1 1 450.023 4.773 20 0 JJADMO COC(=O)c1scc(C)c1NC(=O)[C@H](C)[N@@H+](Cc1ccc(SC)c(OC)c1)C(C)C ZINC001460713434 1067706898 /nfs/dbraw/zinc/70/68/98/1067706898.db2.gz OSHGDCAAPCYEME-HNNXBMFYSA-N 1 1 450.626 4.811 20 0 JJADMO C[N@@H+](CCCN1C(=O)NC(C)(C)C1=O)Cc1cc(F)ccc1Oc1ccc(F)c(Cl)c1 ZINC001460717481 1067708153 /nfs/dbraw/zinc/70/81/53/1067708153.db2.gz TYXFBOUXDHKRKQ-UHFFFAOYSA-N 1 1 451.901 4.563 20 0 JJADMO C[N@@H+](CCCCNC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1)C1CC1 ZINC001460717715 1067708301 /nfs/dbraw/zinc/70/83/01/1067708301.db2.gz XZVZLTVBHAZAHX-UHFFFAOYSA-N 1 1 452.780 4.894 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001460726683 1067710857 /nfs/dbraw/zinc/71/08/57/1067710857.db2.gz QZHCATZKJDIHIO-JIPXPUAJSA-N 1 1 452.595 4.866 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001460726683 1067710871 /nfs/dbraw/zinc/71/08/71/1067710871.db2.gz QZHCATZKJDIHIO-JIPXPUAJSA-N 1 1 452.595 4.866 20 0 JJADMO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C[C@@](C)(O)c2ccc(Br)cc2F)CC1 ZINC001460731482 1067711543 /nfs/dbraw/zinc/71/15/43/1067711543.db2.gz OQKWYYDTXZWQRU-FGZHOGPDSA-N 1 1 453.371 4.704 20 0 JJADMO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+](C)CCCCCCNC(=O)OC(C)(C)C ZINC001460739940 1067712893 /nfs/dbraw/zinc/71/28/93/1067712893.db2.gz CCNUEWCHHASASI-INIZCTEOSA-N 1 1 456.425 4.793 20 0 JJADMO COc1ccc2nc(C[N@@H+]3CCC[C@H](C[C@H](NC(=O)OC(C)(C)C)C4CCCC4)C3)[nH]c2n1 ZINC001460750787 1067715544 /nfs/dbraw/zinc/71/55/44/1067715544.db2.gz VASYKSNRVXQPKO-XLIONFOSSA-N 1 1 457.619 4.652 20 0 JJADMO COc1ccc2nc(C[N@H+]3CCC[C@H](C[C@H](NC(=O)OC(C)(C)C)C4CCCC4)C3)[nH]c2n1 ZINC001460750787 1067715546 /nfs/dbraw/zinc/71/55/46/1067715546.db2.gz VASYKSNRVXQPKO-XLIONFOSSA-N 1 1 457.619 4.652 20 0 JJADMO O[C@H](COc1ccc(Cl)cc1Br)C[N@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC001460749991 1067715726 /nfs/dbraw/zinc/71/57/26/1067715726.db2.gz VWTUFJUMLNPFIL-KRWDZBQOSA-N 1 1 452.776 4.660 20 0 JJADMO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[N@H+](C)[C@H](CO)c1ccccc1C ZINC001460779363 1067722207 /nfs/dbraw/zinc/72/22/07/1067722207.db2.gz RYCGAQBFNSWQJP-OAQYLSRUSA-N 1 1 452.576 4.504 20 0 JJADMO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[N@@H+](C)[C@H](CO)c1ccccc1C ZINC001460779363 1067722214 /nfs/dbraw/zinc/72/22/14/1067722214.db2.gz RYCGAQBFNSWQJP-OAQYLSRUSA-N 1 1 452.576 4.504 20 0 JJADMO Cc1cccc(Oc2ccc(NC(=O)C[NH2+][C@H]3CC(=O)N(C)[C@@H]3c3ccc(F)c(F)c3)cc2)c1 ZINC001460793421 1067724508 /nfs/dbraw/zinc/72/45/08/1067724508.db2.gz HYLATAFAXMZTHO-JYFHCDHNSA-N 1 1 465.500 4.566 20 0 JJADMO COc1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc(OC)c1Cl ZINC001460794736 1067724530 /nfs/dbraw/zinc/72/45/30/1067724530.db2.gz LVFVVKSOKRESTD-QZTJIDSGSA-N 1 1 457.983 4.668 20 0 JJADMO C[N@H+](Cc1ccccc1Oc1ccc(Br)cc1F)CC1CCS(=O)(=O)CC1 ZINC001460803281 1067727153 /nfs/dbraw/zinc/72/71/53/1067727153.db2.gz WCHZYMKFKMIJTD-UHFFFAOYSA-N 1 1 456.377 4.637 20 0 JJADMO CCOCc1ccc(CNC(=O)C[N@@H+]2CCC[C@]2(C)Cc2cccc(Br)c2)cc1 ZINC001460805237 1067727266 /nfs/dbraw/zinc/72/72/66/1067727266.db2.gz WMOBZCHJYSWMEE-XMMPIXPASA-N 1 1 459.428 4.699 20 0 JJADMO CCOCc1ccc(CNC(=O)C[N@H+]2CCC[C@]2(C)Cc2cccc(Br)c2)cc1 ZINC001460805237 1067727276 /nfs/dbraw/zinc/72/72/76/1067727276.db2.gz WMOBZCHJYSWMEE-XMMPIXPASA-N 1 1 459.428 4.699 20 0 JJADMO CCC1(CC)CN(c2nnc(CCc3ccccc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CCS1 ZINC001546119471 1067733366 /nfs/dbraw/zinc/73/33/66/1067733366.db2.gz DOXRXMJCXQXAKC-XMMPIXPASA-N 1 1 485.742 4.532 20 0 JJADMO COC(=O)c1cnc([C@H]2CC[N@@H+]([C@@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)s1 ZINC001460867650 1067737958 /nfs/dbraw/zinc/73/79/58/1067737958.db2.gz OGPVZSSOFOQFEO-AAEUAGOBSA-N 1 1 452.458 4.549 20 0 JJADMO COC(=O)c1cnc([C@H]2CC[N@H+]([C@@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)s1 ZINC001460867650 1067737968 /nfs/dbraw/zinc/73/79/68/1067737968.db2.gz OGPVZSSOFOQFEO-AAEUAGOBSA-N 1 1 452.458 4.549 20 0 JJADMO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC001460869420 1067738757 /nfs/dbraw/zinc/73/87/57/1067738757.db2.gz HZGXBFLQRZUIAR-IBGZPJMESA-N 1 1 456.406 4.895 20 0 JJADMO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC001460869420 1067738759 /nfs/dbraw/zinc/73/87/59/1067738759.db2.gz HZGXBFLQRZUIAR-IBGZPJMESA-N 1 1 456.406 4.895 20 0 JJADMO CC1(C)C[C@H](C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)c2ccccc2O1 ZINC001460874422 1067739996 /nfs/dbraw/zinc/73/99/96/1067739996.db2.gz XNTSAWSECVQNKI-NRFANRHFSA-N 1 1 457.412 4.875 20 0 JJADMO C[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001460878916 1067740927 /nfs/dbraw/zinc/74/09/27/1067740927.db2.gz HQQJGBBCZMEFGO-CLCXKQKWSA-N 1 1 456.414 4.581 20 0 JJADMO COc1cc(Br)ccc1CCC[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001460884588 1067742301 /nfs/dbraw/zinc/74/23/01/1067742301.db2.gz ZKVXEMOPIFXAAP-FUHWJXTLSA-N 1 1 455.437 4.873 20 0 JJADMO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001460889364 1067743917 /nfs/dbraw/zinc/74/39/17/1067743917.db2.gz KXUOFTWDUTXFJN-JKSUJKDBSA-N 1 1 451.792 4.603 20 0 JJADMO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001460889364 1067743923 /nfs/dbraw/zinc/74/39/23/1067743923.db2.gz KXUOFTWDUTXFJN-JKSUJKDBSA-N 1 1 451.792 4.603 20 0 JJADMO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC001460908385 1067746296 /nfs/dbraw/zinc/74/62/96/1067746296.db2.gz CQGOCCAOPLKZPY-IBGZPJMESA-N 1 1 457.416 4.664 20 0 JJADMO C[C@@](CO)([NH2+]CC(=O)Nc1cccc(Oc2ccccc2)c1)c1cccc(Br)c1 ZINC001460912689 1067746903 /nfs/dbraw/zinc/74/69/03/1067746903.db2.gz WBJUIABPIRIAIF-QHCPKHFHSA-N 1 1 455.352 4.677 20 0 JJADMO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@H+](CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)[C@@H]1C ZINC001460939749 1067751207 /nfs/dbraw/zinc/75/12/07/1067751207.db2.gz OAVHCKGJHTXVEQ-ISJRUSPKSA-N 1 1 457.640 4.972 20 0 JJADMO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@@H+](CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)[C@@H]1C ZINC001460939749 1067751214 /nfs/dbraw/zinc/75/12/14/1067751214.db2.gz OAVHCKGJHTXVEQ-ISJRUSPKSA-N 1 1 457.640 4.972 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001460948328 1067752415 /nfs/dbraw/zinc/75/24/15/1067752415.db2.gz NFUARTIUZCWJPO-CPJSRVTESA-N 1 1 451.652 4.889 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@]12C[N@@H+](CC(=O)Nc3ccc(Cl)c(Cl)c3)C[C@H]1CCCC2 ZINC001460970058 1067754738 /nfs/dbraw/zinc/75/47/38/1067754738.db2.gz GOKZMVCGFOAKRL-QRQCRPRQSA-N 1 1 456.414 4.949 20 0 JJADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001460983549 1067757248 /nfs/dbraw/zinc/75/72/48/1067757248.db2.gz SMWCHSQJJCUIDU-YLJYHZDGSA-N 1 1 456.892 4.506 20 0 JJADMO CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460989519 1067758519 /nfs/dbraw/zinc/75/85/19/1067758519.db2.gz WWIDBGXIGHBQJW-DOTOQJQBSA-N 1 1 458.430 4.892 20 0 JJADMO Cc1nn(Cc2ccccc2Cl)c(Cl)c1CNc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001461096161 1067781366 /nfs/dbraw/zinc/78/13/66/1067781366.db2.gz IDVZMEAXDZQOFG-UHFFFAOYSA-N 1 1 458.437 4.906 20 0 JJADMO O=C1C[C@@H]([NH2+]Cc2cccc(O)c2Br)CN1c1ccc(Oc2ccccc2)cc1 ZINC001461096288 1067781422 /nfs/dbraw/zinc/78/14/22/1067781422.db2.gz PMVUJPNVVFLTNZ-QGZVFWFLSA-N 1 1 453.336 4.842 20 0 JJADMO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]Cc1ccccc1Oc1cccc(C)c1 ZINC001461174755 1067792936 /nfs/dbraw/zinc/79/29/36/1067792936.db2.gz OEVUJGRNZJYKQJ-IBGZPJMESA-N 1 1 459.999 4.595 20 0 JJADMO CC(=O)N(c1nc(C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C(C)C)cs1)c1ccc(F)cc1 ZINC001461194510 1067797177 /nfs/dbraw/zinc/79/71/77/1067797177.db2.gz NLSCXWWGYXVVMU-LJQANCHMSA-N 1 1 450.580 4.606 20 0 JJADMO Brc1cc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1OCc1ccccc1 ZINC001461198307 1067797943 /nfs/dbraw/zinc/79/79/43/1067797943.db2.gz UMMMWZOGBNFSLZ-QFIPXVFZSA-N 1 1 459.428 4.761 20 0 JJADMO O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2cc(Cl)ccc2OC2CCCC2)cc1 ZINC001461230750 1067804883 /nfs/dbraw/zinc/80/48/83/1067804883.db2.gz HOWVWUWWLPMEHR-UHFFFAOYSA-N 1 1 456.030 4.777 20 0 JJADMO CCC[N@@H+](Cc1ccccc1)Cc1ccc(NC(=O)c2nnn(Cc3ccncc3)c2C)cc1 ZINC001461238447 1067806792 /nfs/dbraw/zinc/80/67/92/1067806792.db2.gz KVHJBQYHSIYGTQ-UHFFFAOYSA-N 1 1 454.578 4.694 20 0 JJADMO CCC[N@@H+](Cc1ccccc1)Cc1ccc(NC(=O)C2CCN(Cc3nccn3C)CC2)cc1 ZINC001461240117 1067807598 /nfs/dbraw/zinc/80/75/98/1067807598.db2.gz UUIUDDGWDRBJRE-UHFFFAOYSA-N 1 1 459.638 4.683 20 0 JJADMO Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cc(Cl)ccc3I)C2=O)cc1 ZINC001461251790 1067810579 /nfs/dbraw/zinc/81/05/79/1067810579.db2.gz NVNBSRRNMPIVQR-GOSISDBHSA-N 1 1 454.739 4.538 20 0 JJADMO CC1(C)Cc2cc(C[NH2+][C@H](c3cccc(S(C)(=O)=O)c3)c3ccc(F)c(F)c3)ccc2O1 ZINC001461260004 1067812559 /nfs/dbraw/zinc/81/25/59/1067812559.db2.gz PZODTLYXMYIAGE-XMMPIXPASA-N 1 1 457.542 4.961 20 0 JJADMO CCc1nc(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)nn1-c1c(Cl)cccc1Cl ZINC001461273026 1067815347 /nfs/dbraw/zinc/81/53/47/1067815347.db2.gz OUEFQBCSUBMBFH-HSZRJFAPSA-N 1 1 458.393 4.531 20 0 JJADMO CCc1nc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)nn1-c1c(Cl)cccc1Cl ZINC001461273035 1067815648 /nfs/dbraw/zinc/81/56/48/1067815648.db2.gz OUEFQBCSUBMBFH-QHCPKHFHSA-N 1 1 458.393 4.531 20 0 JJADMO C[C@@]1(NC(=O)c2cnc(-c3ccccc3Br)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC001461276289 1067816348 /nfs/dbraw/zinc/81/63/48/1067816348.db2.gz ZWYWKAOFLSYRKV-JOCHJYFZSA-N 1 1 456.409 4.967 20 0 JJADMO Cc1c(Br)cc(CNc2ccc(C[NH+]3CCOCC3)cc2)cc1Br ZINC001461292062 1067820204 /nfs/dbraw/zinc/82/02/04/1067820204.db2.gz DQKHTEUYNIBEPK-UHFFFAOYSA-N 1 1 454.206 4.964 20 0 JJADMO C[NH+]1CCN(C(=O)Cc2cccc(NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)CC1 ZINC001461317975 1067827296 /nfs/dbraw/zinc/82/72/96/1067827296.db2.gz NGWQOIFZJNFHIT-UHFFFAOYSA-N 1 1 459.434 4.653 20 0 JJADMO O=C(N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21)C(F)(F)c1cc(Cl)ccc1Cl ZINC001461326395 1067829087 /nfs/dbraw/zinc/82/90/87/1067829087.db2.gz AGVFAPBRFLQQTN-PMACEKPBSA-N 1 1 455.332 4.587 20 0 JJADMO CCC(CC)(COCc1ccccc1)C(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001461327303 1067829477 /nfs/dbraw/zinc/82/94/77/1067829477.db2.gz DUZPZKKMSIDFRY-IZZNHLLZSA-N 1 1 450.623 4.512 20 0 JJADMO Cn1nc(Br)cc1C[NH2+][C@@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC001461414227 1067850010 /nfs/dbraw/zinc/85/00/10/1067850010.db2.gz ZLAXVDDUUMRSKJ-IBGZPJMESA-N 1 1 459.388 4.691 20 0 JJADMO COc1ccc(C[NH2+][C@@H](CCO)c2ccccc2Br)cc1OCc1cccnc1 ZINC001461431620 1067854944 /nfs/dbraw/zinc/85/49/44/1067854944.db2.gz PQDIQBOYGTYRMH-NRFANRHFSA-N 1 1 457.368 4.645 20 0 JJADMO Cc1ccccc1[C@H]([C@H](C)NCc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1)[NH+](C)C ZINC001461440234 1067857294 /nfs/dbraw/zinc/85/72/94/1067857294.db2.gz BJEDTTXQMAENFH-BKSPAHHJSA-N 1 1 455.643 4.927 20 0 JJADMO Cc1nn(-c2ccccc2F)cc1C[NH2+]Cc1ccc(I)cc1Cl ZINC001461455127 1067860898 /nfs/dbraw/zinc/86/08/98/1067860898.db2.gz KXRHKNCVTVOLIV-UHFFFAOYSA-N 1 1 455.702 4.868 20 0 JJADMO Cc1nn(-c2ccccc2)cc1C[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC001461459360 1067861916 /nfs/dbraw/zinc/86/19/16/1067861916.db2.gz BFHHGNMQELIEDP-LJQANCHMSA-N 1 1 454.290 4.785 20 0 JJADMO COc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(Cl)cc2I)cc1 ZINC001461461455 1067862754 /nfs/dbraw/zinc/86/27/54/1067862754.db2.gz JTGHAAWWRBCSTL-UHFFFAOYSA-N 1 1 453.711 4.633 20 0 JJADMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc21 ZINC001461532221 1067882958 /nfs/dbraw/zinc/88/29/58/1067882958.db2.gz XSTWNBZWTOWIRY-KRWDZBQOSA-N 1 1 453.384 4.662 20 0 JJADMO CN(c1ccccc1CNCc1ccc(C(=O)OCc2ccccc2)cc1)C1CC[NH+](C)CC1 ZINC001461552955 1067887095 /nfs/dbraw/zinc/88/70/95/1067887095.db2.gz QMHUTSVMJXDQPH-UHFFFAOYSA-N 1 1 457.618 4.864 20 0 JJADMO CC(C)[C@@H]1CN(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)CC[N@H+]1Cc1ccccc1 ZINC001461597498 1067897991 /nfs/dbraw/zinc/89/79/91/1067897991.db2.gz KNOXIPPSVFBJFK-QHCPKHFHSA-N 1 1 453.533 4.921 20 0 JJADMO CC(C)[C@H]1CN(C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC001461598889 1067898569 /nfs/dbraw/zinc/89/85/69/1067898569.db2.gz NGQUHMAQUUGESN-XMMPIXPASA-N 1 1 451.611 4.945 20 0 JJADMO O=C(OCc1ccccc1)N1CCC([NH2+]CC(F)(F)c2ccc(Br)cc2)CC1 ZINC001461647574 1067908875 /nfs/dbraw/zinc/90/88/75/1067908875.db2.gz KNDPZZQRYMKDMA-UHFFFAOYSA-N 1 1 453.327 4.932 20 0 JJADMO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[NH2+]Cc1ccnc(N2CCSCC2)c1 ZINC001461671340 1067915020 /nfs/dbraw/zinc/91/50/20/1067915020.db2.gz YUMAAVJKEGKSIH-UHFFFAOYSA-N 1 1 456.059 4.946 20 0 JJADMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc(F)c(OCc3ccccc3)c(F)c2)cc1 ZINC001461678930 1067916925 /nfs/dbraw/zinc/91/69/25/1067916925.db2.gz RHFXRXYVNAMLMQ-OAQYLSRUSA-N 1 1 452.501 4.557 20 0 JJADMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc(F)c(OCc3ccccc3)c(F)c2)cc1 ZINC001461678930 1067916933 /nfs/dbraw/zinc/91/69/33/1067916933.db2.gz RHFXRXYVNAMLMQ-OAQYLSRUSA-N 1 1 452.501 4.557 20 0 JJADMO Cc1cc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1NC(=O)OC(C)(C)C ZINC001461770456 1067933426 /nfs/dbraw/zinc/93/34/26/1067933426.db2.gz MLGSREARCUFFIA-RTWAWAEBSA-N 1 1 455.603 4.528 20 0 JJADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC001461844528 1067945423 /nfs/dbraw/zinc/94/54/23/1067945423.db2.gz JYPFRFYOMVVGLP-AVRDEDQJSA-N 1 1 459.428 4.950 20 0 JJADMO O=C(Nc1ccc(Br)cc1)C1CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC001461848315 1067946330 /nfs/dbraw/zinc/94/63/30/1067946330.db2.gz VLTWTIWITBJXBV-SFHVURJKSA-N 1 1 450.402 4.608 20 0 JJADMO CC(=O)Nc1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc(C(F)(F)F)c1 ZINC001461857459 1067948886 /nfs/dbraw/zinc/94/88/86/1067948886.db2.gz WLZGLCJVFLRZTD-OAQYLSRUSA-N 1 1 459.512 4.696 20 0 JJADMO COc1ccc(Br)cc1C[N@@H+](C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001461860130 1067949214 /nfs/dbraw/zinc/94/92/14/1067949214.db2.gz ACVMSFRNTHSSEK-CQSZACIVSA-N 1 1 455.315 4.735 20 0 JJADMO CCOC(=O)c1nn(-c2ccccc2)cc1C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC001461874041 1067952103 /nfs/dbraw/zinc/95/21/03/1067952103.db2.gz LFDMVPDKMLBDEB-FGZHOGPDSA-N 1 1 453.608 4.979 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@](C)(C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)C1 ZINC001461898395 1067957011 /nfs/dbraw/zinc/95/70/11/1067957011.db2.gz MFSWBCLMYZTPFJ-XMMPIXPASA-N 1 1 450.023 4.525 20 0 JJADMO CCC[N@@H+](Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCc2ccccc2C1 ZINC001461910131 1067959667 /nfs/dbraw/zinc/95/96/67/1067959667.db2.gz FNALFKTUYYIKBG-GOTSBHOMSA-N 1 1 453.631 4.620 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H](n2nncc2C[N@H+]2CCCC[C@@H]2Cc2ccc(F)cc2)C1 ZINC001461948944 1067967175 /nfs/dbraw/zinc/96/71/75/1067967175.db2.gz JLQLREVTCIDTDY-FGZHOGPDSA-N 1 1 457.594 4.586 20 0 JJADMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cnc(NC(=O)OC(C)(C)C)s3)C2)cc1 ZINC001461956495 1067968945 /nfs/dbraw/zinc/96/89/45/1067968945.db2.gz CYCDKPGFBOXTRQ-KRWDZBQOSA-N 1 1 459.616 4.832 20 0 JJADMO CC[N@@H+](Cc1ccc(S(N)(=O)=O)cc1)Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1 ZINC001461969312 1067971404 /nfs/dbraw/zinc/97/14/04/1067971404.db2.gz PGULXDIVQHZXPC-UHFFFAOYSA-N 1 1 452.620 4.860 20 0 JJADMO CC[C@@H]1CCC[C@@H](C[NH+]2CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)C1 ZINC001461971375 1067971937 /nfs/dbraw/zinc/97/19/37/1067971937.db2.gz PARSUTVXSQMQJX-HZPDHXFCSA-N 1 1 452.970 4.882 20 0 JJADMO Cc1cc(Br)cc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1OC(F)F ZINC001461975369 1067973056 /nfs/dbraw/zinc/97/30/56/1067973056.db2.gz BTTLWGDUOACOIH-CQSZACIVSA-N 1 1 459.375 4.829 20 0 JJADMO Cc1nn(-c2ccccc2Br)cc1CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001461981448 1067974307 /nfs/dbraw/zinc/97/43/07/1067974307.db2.gz GESCRYNHCCTLPG-OAQYLSRUSA-N 1 1 453.428 4.897 20 0 JJADMO CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CC[N@H+]1Cc1ccc(N(C)CCOC)nc1 ZINC001461993247 1067976548 /nfs/dbraw/zinc/97/65/48/1067976548.db2.gz GFTZEATZSHARPM-QFIPXVFZSA-N 1 1 450.549 4.674 20 0 JJADMO CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001461996339 1067977058 /nfs/dbraw/zinc/97/70/58/1067977058.db2.gz QZRUZOKHUYNMBH-HFSMHLIXSA-N 1 1 455.599 4.778 20 0 JJADMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC001461999811 1067977986 /nfs/dbraw/zinc/97/79/86/1067977986.db2.gz RKKJGVBHBUKTKL-QHCPKHFHSA-N 1 1 455.602 4.578 20 0 JJADMO COc1cc(CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc(OC)c1OCC(F)F ZINC001462010517 1067980064 /nfs/dbraw/zinc/98/00/64/1067980064.db2.gz UZBXBASWFKKLBE-UHFFFAOYSA-N 1 1 454.945 4.709 20 0 JJADMO COc1cc(C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)cc(OC)c1OCC(F)F ZINC001462010517 1067980069 /nfs/dbraw/zinc/98/00/69/1067980069.db2.gz UZBXBASWFKKLBE-UHFFFAOYSA-N 1 1 454.945 4.709 20 0 JJADMO COc1cc(C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)cc(OC)c1OCC(F)F ZINC001462010517 1067980073 /nfs/dbraw/zinc/98/00/73/1067980073.db2.gz UZBXBASWFKKLBE-UHFFFAOYSA-N 1 1 454.945 4.709 20 0 JJADMO CCOC(=O)c1nc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)sc1C ZINC001462025504 1067984240 /nfs/dbraw/zinc/98/42/40/1067984240.db2.gz JLFDLLWWNXKKBR-FCHUYYIVSA-N 1 1 463.603 4.791 20 0 JJADMO C[C@@H]1CCC[C@H]([N@@H+](Cc2cc(C(=O)OC(C)(C)C)nn2C)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC001462033310 1067984952 /nfs/dbraw/zinc/98/49/52/1067984952.db2.gz MEVCQDZGHRXABV-HMFYCAOWSA-N 1 1 455.599 4.931 20 0 JJADMO C[N@H+](Cc1ccc(Br)cc1SCCS(C)(=O)=O)[C@@H]1CCc2ccccc21 ZINC001462037935 1067986769 /nfs/dbraw/zinc/98/67/69/1067986769.db2.gz AQULGQVHAVANAV-LJQANCHMSA-N 1 1 454.455 4.705 20 0 JJADMO C[N@@H+](Cc1ccc(Br)cc1SCCS(C)(=O)=O)[C@@H]1CCc2ccccc21 ZINC001462037935 1067986781 /nfs/dbraw/zinc/98/67/81/1067986781.db2.gz AQULGQVHAVANAV-LJQANCHMSA-N 1 1 454.455 4.705 20 0 JJADMO CC(=O)N(c1nc(CN[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cs1)c1ccc(F)cc1F ZINC001462045776 1067989043 /nfs/dbraw/zinc/98/90/43/1067989043.db2.gz FICHXWBQXNDRFA-KSFYIVLOSA-N 1 1 456.562 4.716 20 0 JJADMO CCc1ccccc1Oc1ccc(Cl)cc1C[NH+]1CCC(n2cc(C(=O)OC)nn2)CC1 ZINC001462065673 1067994468 /nfs/dbraw/zinc/99/44/68/1067994468.db2.gz PYJGNJZHQQAOEI-UHFFFAOYSA-N 1 1 454.958 4.910 20 0 JJADMO O=C(Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)nc2Cl)C1)C1CCCC1 ZINC001462081798 1067998244 /nfs/dbraw/zinc/99/82/44/1067998244.db2.gz HADHSZANXBBSIU-AWEZNQCLSA-N 1 1 455.912 4.985 20 0 JJADMO O=C(Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)nc2Cl)C1)C1CCCC1 ZINC001462081798 1067998255 /nfs/dbraw/zinc/99/82/55/1067998255.db2.gz HADHSZANXBBSIU-AWEZNQCLSA-N 1 1 455.912 4.985 20 0 JJADMO COC(=O)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001462122868 1068009894 /nfs/dbraw/zinc/00/98/94/1068009894.db2.gz BLSWKWWBKMOTPO-AEFFLSMTSA-N 1 1 458.521 4.716 20 0 JJADMO COC(=O)C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001462122868 1068009908 /nfs/dbraw/zinc/00/99/08/1068009908.db2.gz BLSWKWWBKMOTPO-AEFFLSMTSA-N 1 1 458.521 4.716 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 ZINC001462124824 1068010447 /nfs/dbraw/zinc/01/04/47/1068010447.db2.gz PTGFJCRLJMACTO-NQIIRXRSSA-N 1 1 452.986 4.597 20 0 JJADMO CCC1CCC([N@@H+](CCO)Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)OC)CC1 ZINC001462184195 1068024137 /nfs/dbraw/zinc/02/41/37/1068024137.db2.gz PWLIBFBJLGRXBL-UHFFFAOYSA-N 1 1 454.398 4.729 20 0 JJADMO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@@H+](CCn1ccnc1)Cc1cccc(Cl)c1 ZINC001462198287 1068027608 /nfs/dbraw/zinc/02/76/08/1068027608.db2.gz LAPCSZFQYKECPE-LJQANCHMSA-N 1 1 454.949 4.683 20 0 JJADMO CN(C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2Oc2ccc(Cl)cc2)C1)S(C)(=O)=O ZINC001462219621 1068031329 /nfs/dbraw/zinc/03/13/29/1068031329.db2.gz LYXUUPMSGWWEGV-INIZCTEOSA-N 1 1 457.423 4.889 20 0 JJADMO CN(C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Oc2ccc(Cl)cc2)C1)S(C)(=O)=O ZINC001462219621 1068031342 /nfs/dbraw/zinc/03/13/42/1068031342.db2.gz LYXUUPMSGWWEGV-INIZCTEOSA-N 1 1 457.423 4.889 20 0 JJADMO Cc1cc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)nn1-c1cccc(C(F)(F)F)c1 ZINC001462228678 1068033301 /nfs/dbraw/zinc/03/33/01/1068033301.db2.gz GLYRCTJDHBWUSQ-JOCHJYFZSA-N 1 1 456.512 4.984 20 0 JJADMO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC001462233620 1068035107 /nfs/dbraw/zinc/03/51/07/1068035107.db2.gz DJXJZGZRPARTMY-WIYYLYMNSA-N 1 1 450.023 4.630 20 0 JJADMO Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)c2cc3ccc(Br)cc3s2)C1 ZINC001462257322 1068039798 /nfs/dbraw/zinc/03/97/98/1068039798.db2.gz GHLLQMUOCWYOGL-LJQANCHMSA-N 1 1 459.409 4.603 20 0 JJADMO Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)c2cc3ccc(Br)cc3s2)C1 ZINC001462257322 1068039811 /nfs/dbraw/zinc/03/98/11/1068039811.db2.gz GHLLQMUOCWYOGL-LJQANCHMSA-N 1 1 459.409 4.603 20 0 JJADMO C[N@@H+](Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001462259923 1068040043 /nfs/dbraw/zinc/04/00/43/1068040043.db2.gz JTJOGFQMKNKVCF-UHFFFAOYSA-N 1 1 452.521 4.829 20 0 JJADMO Brc1ncccc1C[N@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC001462263322 1068041288 /nfs/dbraw/zinc/04/12/88/1068041288.db2.gz PHBKNZPLUKEIFH-CQSZACIVSA-N 1 1 457.153 4.513 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001462268890 1068041681 /nfs/dbraw/zinc/04/16/81/1068041681.db2.gz GABMIKRDYVQWFC-JYFHCDHNSA-N 1 1 456.696 4.859 20 0 JJADMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001462400337 1068066313 /nfs/dbraw/zinc/06/63/13/1068066313.db2.gz XTLPIYRMDYNXDU-GCJKJVERSA-N 1 1 459.631 4.857 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC001462410555 1068068004 /nfs/dbraw/zinc/06/80/04/1068068004.db2.gz ZVTFQUVYSPDMRK-QKLQHJQFSA-N 1 1 458.521 4.711 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccccc3OCC(F)F)C2)C1 ZINC001462409924 1068068165 /nfs/dbraw/zinc/06/81/65/1068068165.db2.gz XQKFIKCTGFJKRS-SBHAEUEKSA-N 1 1 454.558 4.615 20 0 JJADMO CC(C)[C@@H]1CN(Cc2cccc(F)c2I)CC[N@H+]1Cc1ccccc1 ZINC001462442004 1068075257 /nfs/dbraw/zinc/07/52/57/1068075257.db2.gz ULKFUXAONZKKKD-FQEVSTJZSA-N 1 1 452.355 4.773 20 0 JJADMO COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(N4CCC(C(=O)OC(C)(C)C)CC4)o3)C2)cc1F ZINC001462483378 1068082982 /nfs/dbraw/zinc/08/29/82/1068082982.db2.gz WPZUDNYGXBMTRZ-HXUWFJFHSA-N 1 1 458.574 4.975 20 0 JJADMO O=C(NC1CC[NH+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1)OCc1ccccc1 ZINC001462513351 1068089028 /nfs/dbraw/zinc/08/90/28/1068089028.db2.gz GVLUSVOOMRUFNQ-UHFFFAOYSA-N 1 1 458.484 4.782 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(Cc3sccc3NC(=O)OC(C)(C)C)C2)O1 ZINC001462538691 1068094147 /nfs/dbraw/zinc/09/41/47/1068094147.db2.gz ZBLIVUITMOUREA-KBMIEXCESA-N 1 1 457.640 4.961 20 0 JJADMO C[C@@H]1CN(Cc2ccccc2)C[C@]2(CC[N@H+](Cc3sccc3NC(=O)OC(C)(C)C)C2)O1 ZINC001462538691 1068094160 /nfs/dbraw/zinc/09/41/60/1068094160.db2.gz ZBLIVUITMOUREA-KBMIEXCESA-N 1 1 457.640 4.961 20 0 JJADMO C[C@@H]1CN(Cc2ccccc2)C[C@]2(CC[N@@H+](Cc3sccc3NC(=O)OC(C)(C)C)C2)O1 ZINC001462538691 1068094175 /nfs/dbraw/zinc/09/41/75/1068094175.db2.gz ZBLIVUITMOUREA-KBMIEXCESA-N 1 1 457.640 4.961 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(Cc3c(F)cc(Br)cc3F)C2)O1 ZINC001462538842 1068094616 /nfs/dbraw/zinc/09/46/16/1068094616.db2.gz ZQHQCHNENIWWKR-KSFYIVLOSA-N 1 1 451.355 4.593 20 0 JJADMO CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)COc1ccccc1OCC(F)(F)F ZINC001462540588 1068094719 /nfs/dbraw/zinc/09/47/19/1068094719.db2.gz VFEOSVXPWKYHGU-FQEVSTJZSA-N 1 1 450.501 4.520 20 0 JJADMO COc1ccc(NC(=O)C[C@@H](C)[N@H+]2CCOc3ccc(NC(=O)OC(C)(C)C)cc3C2)cc1 ZINC001462550386 1068096626 /nfs/dbraw/zinc/09/66/26/1068096626.db2.gz ZNXNBTUGYLHNJQ-QGZVFWFLSA-N 1 1 455.555 4.654 20 0 JJADMO Cc1ccc(Br)cc1NC(=O)C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC001462553760 1068097757 /nfs/dbraw/zinc/09/77/57/1068097757.db2.gz GIAVULDRXMCLAD-UHFFFAOYSA-N 1 1 452.599 4.963 20 0 JJADMO COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C[N@@H+](Cc1ccccc1-c1ccccc1C)C2 ZINC001462577862 1068103283 /nfs/dbraw/zinc/10/32/83/1068103283.db2.gz PFGLSTOSHRKJNT-RZIGYZOXSA-N 1 1 464.606 4.940 20 0 JJADMO Cn1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)c(-c2ccc(F)cc2)n1 ZINC001462592315 1068107157 /nfs/dbraw/zinc/10/71/57/1068107157.db2.gz OGFHDJGTGPPRKJ-MSOLQXFVSA-N 1 1 456.484 4.504 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)c(-c2ccc(F)cc2)n1 ZINC001462592315 1068107161 /nfs/dbraw/zinc/10/71/61/1068107161.db2.gz OGFHDJGTGPPRKJ-MSOLQXFVSA-N 1 1 456.484 4.504 20 0 JJADMO CC(C)(C)OC(=O)N1CCCC[C@@]12CC[N@H+](Cc1c(F)ccc(C3OCCO3)c1Cl)C2 ZINC001462601190 1068109431 /nfs/dbraw/zinc/10/94/31/1068109431.db2.gz AWFIRDGCTZQDON-QHCPKHFHSA-N 1 1 454.970 4.890 20 0 JJADMO CC(C)(C)OC(=O)N1CCCC[C@@]12CC[N@@H+](Cc1c(F)ccc(C3OCCO3)c1Cl)C2 ZINC001462601190 1068109436 /nfs/dbraw/zinc/10/94/36/1068109436.db2.gz AWFIRDGCTZQDON-QHCPKHFHSA-N 1 1 454.970 4.890 20 0 JJADMO CC(C)(C)OC(=O)NCC[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC001462630222 1068117613 /nfs/dbraw/zinc/11/76/13/1068117613.db2.gz RETPZUIKPXVSII-ZDUSSCGKSA-N 1 1 455.422 4.637 20 0 JJADMO Cn1c(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCOCC2)cc2cc(C(F)(F)F)ccc21 ZINC001462643959 1068122425 /nfs/dbraw/zinc/12/24/25/1068122425.db2.gz JIAFVBJSUNIKRI-UHFFFAOYSA-N 1 1 459.512 4.608 20 0 JJADMO COC(=O)c1cnc([C@H](C)[NH2+]C[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)s1 ZINC001462666017 1068127157 /nfs/dbraw/zinc/12/71/57/1068127157.db2.gz ZRXMVVNBMHTDNH-XJKSGUPXSA-N 1 1 452.502 4.729 20 0 JJADMO COc1ccc(Oc2ccc(C[N@H+]3CCC[C@@H](N(CCO)C(=O)OC(C)(C)C)C3)cc2)cc1 ZINC001462676109 1068129344 /nfs/dbraw/zinc/12/93/44/1068129344.db2.gz VVSJVLAMXMZPQF-OAQYLSRUSA-N 1 1 456.583 4.681 20 0 JJADMO Cc1cc(Br)sc1S(=O)(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC001462826802 1068179156 /nfs/dbraw/zinc/17/91/56/1068179156.db2.gz WKPOIYIOVLKYNC-OAHLLOKOSA-N 1 1 457.459 4.672 20 0 JJADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC001462829036 1068180845 /nfs/dbraw/zinc/18/08/45/1068180845.db2.gz HFXXSCUSAHKLIS-OAHLLOKOSA-N 1 1 458.958 4.794 20 0 JJADMO CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001462829251 1068180856 /nfs/dbraw/zinc/18/08/56/1068180856.db2.gz GNFOAQHYZKEAPD-RTWAWAEBSA-N 1 1 454.014 4.919 20 0 JJADMO CCN([C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC001462899351 1068208149 /nfs/dbraw/zinc/20/81/49/1068208149.db2.gz XHQBJWUMXCIDAX-KNQAVFIVSA-N 1 1 457.640 4.517 20 0 JJADMO CCCN([C@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccccc1OC(F)(F)F ZINC001462982286 1068238830 /nfs/dbraw/zinc/23/88/30/1068238830.db2.gz LLAMNDHYORNWGE-IBGZPJMESA-N 1 1 456.530 4.651 20 0 JJADMO CCCN([C@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccccc1OC(F)(F)F ZINC001462982286 1068238840 /nfs/dbraw/zinc/23/88/40/1068238840.db2.gz LLAMNDHYORNWGE-IBGZPJMESA-N 1 1 456.530 4.651 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001463128243 1068296575 /nfs/dbraw/zinc/29/65/75/1068296575.db2.gz RUJUERBNVZGMAN-UHFFFAOYSA-N 1 1 453.391 4.838 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001463128243 1068296594 /nfs/dbraw/zinc/29/65/94/1068296594.db2.gz RUJUERBNVZGMAN-UHFFFAOYSA-N 1 1 453.391 4.838 20 0 JJADMO Cc1cccc(C(C)(C)NS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)c1 ZINC001463128038 1068296790 /nfs/dbraw/zinc/29/67/90/1068296790.db2.gz RHYJMAFGHVAAPT-IZZNHLLZSA-N 1 1 466.622 4.957 20 0 JJADMO C[C@@]1(NC(=O)[C@H](C[C@H]2CCCO2)C(F)(F)F)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001463149614 1068303610 /nfs/dbraw/zinc/30/36/10/1068303610.db2.gz OQLPSEZQRUNFOG-KNAFXUBQSA-N 1 1 460.540 4.909 20 0 JJADMO COc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c(OC(F)F)c1 ZINC001463174229 1068309604 /nfs/dbraw/zinc/30/96/04/1068309604.db2.gz CRTHFYWISLKFAK-XZOQPEGZSA-N 1 1 452.501 4.695 20 0 JJADMO CCCCS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC001463174986 1068309953 /nfs/dbraw/zinc/30/99/53/1068309953.db2.gz IQDXAPKHZZGIEM-RRPNLBNLSA-N 1 1 476.642 4.658 20 0 JJADMO CCCCS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC001463174986 1068309958 /nfs/dbraw/zinc/30/99/58/1068309958.db2.gz IQDXAPKHZZGIEM-RRPNLBNLSA-N 1 1 476.642 4.658 20 0 JJADMO CC(C)(C)CNC(=O)c1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC001463176084 1068310357 /nfs/dbraw/zinc/31/03/57/1068310357.db2.gz OULQTYCHFPWACK-RRPNLBNLSA-N 1 1 469.629 4.861 20 0 JJADMO CO[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1ccccc1Br ZINC001463176775 1068310421 /nfs/dbraw/zinc/31/04/21/1068310421.db2.gz PTKMRWXLNIFJBI-CAOCKLPOSA-N 1 1 479.418 4.921 20 0 JJADMO CC(C)[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)c1cnn(C)c1 ZINC001463190852 1068315176 /nfs/dbraw/zinc/31/51/76/1068315176.db2.gz INFWQQGZLNCDSA-GVAUOCQISA-N 1 1 451.014 4.803 20 0 JJADMO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(OCc3ccccc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001463229725 1068328427 /nfs/dbraw/zinc/32/84/27/1068328427.db2.gz IVAZLPXSTIURKT-QPPBQGQZSA-N 1 1 450.604 4.597 20 0 JJADMO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)CC[N@H+]1Cc1ccccc1 ZINC001463231570 1068329255 /nfs/dbraw/zinc/32/92/55/1068329255.db2.gz OFNMIXSYIZJZHT-MJGOQNOKSA-N 1 1 457.665 4.925 20 0 JJADMO COc1cc(C)c(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1C(C)C ZINC001463286661 1068345092 /nfs/dbraw/zinc/34/50/92/1068345092.db2.gz ZPLPVLPPSQAXCX-UPVQGACJSA-N 1 1 456.652 4.802 20 0 JJADMO Cc1ccc(I)c(C(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001463345173 1068364241 /nfs/dbraw/zinc/36/42/41/1068364241.db2.gz VJFJOCJUSOAMFE-AABGKKOBSA-N 1 1 474.386 4.630 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@]2(CCCCN2C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001463412832 1068389751 /nfs/dbraw/zinc/38/97/51/1068389751.db2.gz LTUZXDDMXUHYOZ-KCWPFWIISA-N 1 1 455.643 4.681 20 0 JJADMO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001463434892 1068396310 /nfs/dbraw/zinc/39/63/10/1068396310.db2.gz QOTRURXYNZDZEG-XIKOKIGWSA-N 1 1 451.778 4.757 20 0 JJADMO C[N@H+]1CC[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001463434892 1068396330 /nfs/dbraw/zinc/39/63/30/1068396330.db2.gz QOTRURXYNZDZEG-XIKOKIGWSA-N 1 1 451.778 4.757 20 0 JJADMO CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(OC(C)C)c2ccccc21 ZINC001463466285 1068410197 /nfs/dbraw/zinc/41/01/97/1068410197.db2.gz RMOAQUXDMSDVMU-JOCHJYFZSA-N 1 1 452.620 4.912 20 0 JJADMO CCn1ncc2c1nc(-c1cccs1)cc2C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC001463562449 1068444410 /nfs/dbraw/zinc/44/44/10/1068444410.db2.gz SBLFHMGRFWTLDQ-HXUWFJFHSA-N 1 1 453.999 4.866 20 0 JJADMO CC(C)(C)c1nc2ccc(S(=O)(=O)NC[C@@]3(C)CC[N@@H+](Cc4ccccc4)C3)cc2s1 ZINC001463639467 1068478250 /nfs/dbraw/zinc/47/82/50/1068478250.db2.gz SCSTVTYHLZBKRK-XMMPIXPASA-N 1 1 457.665 4.784 20 0 JJADMO C[C@@H](CCc1ccc(I)cc1)CC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC001463722396 1068504806 /nfs/dbraw/zinc/50/48/06/1068504806.db2.gz BGHGJHFCMDKTAZ-ROUUACIJSA-N 1 1 456.412 4.631 20 0 JJADMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccccc1CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001463731287 1068506779 /nfs/dbraw/zinc/50/67/79/1068506779.db2.gz QWJLJSBNEDCTNU-OAQYLSRUSA-N 1 1 457.659 4.871 20 0 JJADMO CCOC1(CNS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CCCC1 ZINC001463762093 1068516444 /nfs/dbraw/zinc/51/64/44/1068516444.db2.gz GJFPTXGXZXOBJD-BJKOFHAPSA-N 1 1 477.070 4.577 20 0 JJADMO CC(C)(C)O[C@@H](C(=O)NN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC001463802571 1068530792 /nfs/dbraw/zinc/53/07/92/1068530792.db2.gz WZJIGTGGYUQREK-HHHXNRCGSA-N 1 1 457.618 4.981 20 0 JJADMO Cc1ccc(Br)c(S(=O)(=O)NC[C@@H](c2ccc(CC(C)C)cc2)[NH+](C)C)c1 ZINC001463823680 1068536373 /nfs/dbraw/zinc/53/63/73/1068536373.db2.gz MSAVPNOUGFPXPJ-FQEVSTJZSA-N 1 1 453.446 4.537 20 0 JJADMO O=C(c1cc(Cl)cc(Br)c1F)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001463872714 1068552332 /nfs/dbraw/zinc/55/23/32/1068552332.db2.gz FVCHLIUKHCCCED-UHFFFAOYSA-N 1 1 451.767 4.905 20 0 JJADMO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001463874664 1068552975 /nfs/dbraw/zinc/55/29/75/1068552975.db2.gz QFFUPVMVCBOTMH-KRWDZBQOSA-N 1 1 459.403 4.816 20 0 JJADMO O=C(CCOc1ccccc1Br)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC001463898162 1068559356 /nfs/dbraw/zinc/55/93/56/1068559356.db2.gz GOVHUEJCVJXUPZ-UHFFFAOYSA-N 1 1 451.792 4.606 20 0 JJADMO O=C(CCOc1ccccc1Br)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC001463898162 1068559364 /nfs/dbraw/zinc/55/93/64/1068559364.db2.gz GOVHUEJCVJXUPZ-UHFFFAOYSA-N 1 1 451.792 4.606 20 0 JJADMO O=C(c1ccc(OC(F)F)c(Br)c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001463922061 1068566548 /nfs/dbraw/zinc/56/65/48/1068566548.db2.gz ZERISSFHYMJTSL-UHFFFAOYSA-N 1 1 457.290 4.538 20 0 JJADMO O=C(c1ccc(OC(F)F)c(Br)c1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001463922061 1068566554 /nfs/dbraw/zinc/56/65/54/1068566554.db2.gz ZERISSFHYMJTSL-UHFFFAOYSA-N 1 1 457.290 4.538 20 0 JJADMO Cc1nc(S(=O)(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@H]2C)c(-c2ccccc2)s1 ZINC001463998438 1068584166 /nfs/dbraw/zinc/58/41/66/1068584166.db2.gz DSXYHDAWAXTTMN-IPMKNSEASA-N 1 1 455.649 4.791 20 0 JJADMO Cc1nc(S(=O)(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@H](C)[C@H]2C)c(-c2ccccc2)s1 ZINC001463998438 1068584173 /nfs/dbraw/zinc/58/41/73/1068584173.db2.gz DSXYHDAWAXTTMN-IPMKNSEASA-N 1 1 455.649 4.791 20 0 JJADMO COc1cc(CN(C)C(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)ccc1OCc1ccccc1 ZINC001463998890 1068584348 /nfs/dbraw/zinc/58/43/48/1068584348.db2.gz ORSWZQWGMOVRFV-VWLOTQADSA-N 1 1 459.590 4.682 20 0 JJADMO COc1cc(CN(C)C(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)ccc1OCc1ccccc1 ZINC001463998890 1068584367 /nfs/dbraw/zinc/58/43/67/1068584367.db2.gz ORSWZQWGMOVRFV-VWLOTQADSA-N 1 1 459.590 4.682 20 0 JJADMO O=C(/C=C\c1ccc[nH]1)N1CC[NH+](Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC001464004324 1068586016 /nfs/dbraw/zinc/58/60/16/1068586016.db2.gz MCIFJNTYGWIZBQ-TWGQIWQCSA-N 1 1 456.409 4.863 20 0 JJADMO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)[C@H](C)c4cccc(Cl)c4)CC3)n2)cc1 ZINC001464076720 1068607054 /nfs/dbraw/zinc/60/70/54/1068607054.db2.gz QQPLUSOVPQGMRS-LJQANCHMSA-N 1 1 452.986 4.579 20 0 JJADMO Cc1csc(-c2ccc(S(=O)(=O)N3CC[N@H+](Cc4ccccc4)[C@H](C(C)C)C3)cc2)n1 ZINC001464085319 1068609146 /nfs/dbraw/zinc/60/91/46/1068609146.db2.gz UEAGFUAZAVQQNN-QHCPKHFHSA-N 1 1 455.649 4.650 20 0 JJADMO Cc1csc(-c2ccc(S(=O)(=O)N3CC[N@@H+](Cc4ccccc4)[C@H](C(C)C)C3)cc2)n1 ZINC001464085319 1068609155 /nfs/dbraw/zinc/60/91/55/1068609155.db2.gz UEAGFUAZAVQQNN-QHCPKHFHSA-N 1 1 455.649 4.650 20 0 JJADMO Cc1ccc(C(=O)c2ccccc2C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC001464122991 1068623062 /nfs/dbraw/zinc/62/30/62/1068623062.db2.gz RZNZEVTYHCUAJL-SZPZYZBQSA-N 1 1 456.586 4.765 20 0 JJADMO CC[C@H](Cc1ccccc1Br)C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC001464134694 1068629465 /nfs/dbraw/zinc/62/94/65/1068629465.db2.gz YQDWEPKEANFSNY-HXUWFJFHSA-N 1 1 458.444 4.794 20 0 JJADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001464157981 1068637036 /nfs/dbraw/zinc/63/70/36/1068637036.db2.gz NXFCNKISYHMKRT-WXVAWEFUSA-N 1 1 455.602 4.849 20 0 JJADMO C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001464160017 1068638326 /nfs/dbraw/zinc/63/83/26/1068638326.db2.gz ONPSMEFPDWANTN-NLFFAJNJSA-N 1 1 457.578 4.958 20 0 JJADMO C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001464160017 1068638332 /nfs/dbraw/zinc/63/83/32/1068638332.db2.gz ONPSMEFPDWANTN-NLFFAJNJSA-N 1 1 457.578 4.958 20 0 JJADMO CCN1CC[NH+](Cc2ccc(CNC(=O)CCCn3ccc4cc(Cl)ccc43)cc2)CC1 ZINC001464162499 1068639013 /nfs/dbraw/zinc/63/90/13/1068639013.db2.gz XAYZSXJGZORZDC-UHFFFAOYSA-N 1 1 453.030 4.529 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1coc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC001464198431 1068652775 /nfs/dbraw/zinc/65/27/75/1068652775.db2.gz IKVBTPQZDYYEQD-NRFANRHFSA-N 1 1 456.587 4.517 20 0 JJADMO C[C@H](CNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)[N@H+]1CCCC[C@H]1C ZINC001464199764 1068653592 /nfs/dbraw/zinc/65/35/92/1068653592.db2.gz OYMAXNOCZQQSMW-RTBURBONSA-N 1 1 455.002 4.648 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@H]3CCCCCN3C(=O)OC(C)(C)C)cc2)C1 ZINC001464209112 1068658664 /nfs/dbraw/zinc/65/86/64/1068658664.db2.gz FAYCPXIZAQBBIC-ZFGGDYGUSA-N 1 1 457.659 4.960 20 0 JJADMO COc1cc(=O)[nH]cc1C(=O)NC[C@@H](c1ccc(C(C)C)cc1)[N@@H+]1CCc2sccc2C1 ZINC001464208761 1068658824 /nfs/dbraw/zinc/65/88/24/1068658824.db2.gz WACURYGQLUTPOT-NRFANRHFSA-N 1 1 451.592 4.510 20 0 JJADMO COc1cc(=O)[nH]cc1C(=O)NC[C@@H](c1ccc(C(C)C)cc1)[N@H+]1CCc2sccc2C1 ZINC001464208761 1068658828 /nfs/dbraw/zinc/65/88/28/1068658828.db2.gz WACURYGQLUTPOT-NRFANRHFSA-N 1 1 451.592 4.510 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)cn1 ZINC001464216330 1068661219 /nfs/dbraw/zinc/66/12/19/1068661219.db2.gz LDEVYQDLOSUHNZ-HXUWFJFHSA-N 1 1 453.587 4.722 20 0 JJADMO Cc1nc(-c2ccc(S(=O)(=O)N[C@H](C[NH+](C)C)c3ccc(Cl)c(Cl)c3)cc2)co1 ZINC001464217708 1068661691 /nfs/dbraw/zinc/66/16/91/1068661691.db2.gz KWIFWMNRHICCAJ-LJQANCHMSA-N 1 1 454.379 4.538 20 0 JJADMO C[NH+](C)C[C@@H](NS(=O)(=O)c1cccc2c(Cl)ccnc21)c1ccc(Cl)c(Cl)c1 ZINC001464221692 1068663738 /nfs/dbraw/zinc/66/37/38/1068663738.db2.gz YZHJWBQQWVVUIC-QGZVFWFLSA-N 1 1 458.798 4.776 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NS(=O)(=O)c2ccc(C)c(Cl)c2)cc1 ZINC001464227037 1068665654 /nfs/dbraw/zinc/66/56/54/1068665654.db2.gz GMTIHMMECYSFTG-UKILVPOCSA-N 1 1 471.022 4.604 20 0 JJADMO CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC001464258161 1068678565 /nfs/dbraw/zinc/67/85/65/1068678565.db2.gz SPTKAIDGXNZUQI-UKILVPOCSA-N 1 1 457.014 4.918 20 0 JJADMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1OCc1ccccc1Cl ZINC001464279155 1068688040 /nfs/dbraw/zinc/68/80/40/1068688040.db2.gz JOJINTXHKFEYNS-UHFFFAOYSA-N 1 1 450.966 4.681 20 0 JJADMO Cc1nc(NC(=O)[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)sc1Cc1ccccc1Cl ZINC001464321423 1068704602 /nfs/dbraw/zinc/70/46/02/1068704602.db2.gz XHVLOHAWACZZJC-DEOSSOPVSA-N 1 1 456.011 4.661 20 0 JJADMO O=C(CCN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001464359002 1068718282 /nfs/dbraw/zinc/71/82/82/1068718282.db2.gz IKEUULNGPINHAT-UHFFFAOYSA-N 1 1 455.046 4.519 20 0 JJADMO CCC1(Cn2c(CC(C)C)nnc2N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC001546146577 1068728222 /nfs/dbraw/zinc/72/82/22/1068728222.db2.gz WTNKEWRTAHEKSM-XMMPIXPASA-N 1 1 453.675 4.784 20 0 JJADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(C)(C)c1csc(-c2c(F)cccc2F)n1 ZINC001464399448 1068732549 /nfs/dbraw/zinc/73/25/49/1068732549.db2.gz LUDRLNSVGXNZLJ-UHFFFAOYSA-N 1 1 453.518 4.571 20 0 JJADMO C[N@@H+](Cc1ccccc1CNC(=O)[C@H]1CO[C@@H](CCC(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC001464399999 1068733054 /nfs/dbraw/zinc/73/30/54/1068733054.db2.gz DRELXMHYJGJPGM-VWNXMTODSA-N 1 1 458.643 4.594 20 0 JJADMO CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)Cc1coc2c1ccc(Cl)c2Cl ZINC001464421072 1068739858 /nfs/dbraw/zinc/73/98/58/1068739858.db2.gz YLLXYFHALBZYCC-MRXNPFEDSA-N 1 1 455.382 4.548 20 0 JJADMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc2c(c1)[C@H](CNC(=O)OC(C)(C)C)CCC2 ZINC001464435073 1068744462 /nfs/dbraw/zinc/74/44/62/1068744462.db2.gz VOSSBFFBZMQUQB-AWWSKVOZSA-N 1 1 457.659 4.727 20 0 JJADMO Cc1nc(-c2ccsc2)ccc1C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC001464478413 1068760783 /nfs/dbraw/zinc/76/07/83/1068760783.db2.gz PRUGHGOBGKFKQJ-UHFFFAOYSA-N 1 1 455.027 4.714 20 0 JJADMO CC(C)(O)C[NH+]1CCN(C(=O)[C@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)CC1 ZINC001464664212 1068816821 /nfs/dbraw/zinc/81/68/21/1068816821.db2.gz DVXAXIMPYSKUIX-HXUWFJFHSA-N 1 1 453.435 4.742 20 0 JJADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@@H]5c6ccccc6NC(=O)[C@@H]5C3)n2)CCC4)CC1 ZINC001164404067 718858445 /nfs/dbraw/zinc/85/84/45/718858445.db2.gz OGCZMDGKIVPSFU-WOJBJXKFSA-N 1 1 473.646 4.584 20 0 JJADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCO[C@H](c3ncn4c3cccc4Br)C2)nc1 ZINC001164420307 718891120 /nfs/dbraw/zinc/89/11/20/718891120.db2.gz TZAIITGWYOQOIL-ICSRJNTNSA-N 1 1 470.415 4.617 20 0 JJADMO Clc1nc2c(ncn2Cc2ccccc2)c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164618504 719068509 /nfs/dbraw/zinc/06/85/09/719068509.db2.gz AXKZUKFFYKBCPN-YADHBBJMSA-N 1 1 458.997 4.629 20 0 JJADMO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164627365 719094982 /nfs/dbraw/zinc/09/49/82/719094982.db2.gz JYMFQSFXLLOTDE-PMACEKPBSA-N 1 1 455.940 4.838 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCO[C@@H]4[C@@H](OCc5ccncc5)CC[C@@H]43)c2c1C ZINC001164649033 719294541 /nfs/dbraw/zinc/29/45/41/719294541.db2.gz GOVMTJSLFXEAOL-HWBMXIPRSA-N 1 1 493.677 4.642 20 0 JJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1ccc(Cl)nc1C(F)(F)F)CC2 ZINC001164652813 719316832 /nfs/dbraw/zinc/31/68/32/719316832.db2.gz QRSVOQICDVSRFE-UHFFFAOYSA-N 1 1 451.871 4.700 20 0 JJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cnc(Cl)nc1Oc1ccccc1Cl)CC2 ZINC001164649221 719317247 /nfs/dbraw/zinc/31/72/47/719317247.db2.gz AGCCCFARCMJMQY-UHFFFAOYSA-N 1 1 461.397 4.977 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCO[C@H]4[C@H]3CC[C@@H]4OCC3CCCC3)c2c1C ZINC001164662042 719343639 /nfs/dbraw/zinc/34/36/39/719343639.db2.gz MTGDCSZCXOBHMW-DPLHUUCSSA-N 1 1 470.683 4.847 20 0 JJADMO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(OC)c3ccccc3[nH+]1)CC2 ZINC001164658570 719352729 /nfs/dbraw/zinc/35/27/29/719352729.db2.gz JIKKZFIQXDEWFV-UHFFFAOYSA-N 1 1 453.590 4.938 20 0 JJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCC(=O)N3Cc3csc(C)n3)CC2)nc1 ZINC001164683548 719594121 /nfs/dbraw/zinc/59/41/21/719594121.db2.gz GIVVUUFFECZESB-QHCPKHFHSA-N 1 1 467.683 4.945 20 0 JJADMO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(C(C)(C)c3ccnc(Cl)c3)CC2)c2ccccc21 ZINC001164685566 719683871 /nfs/dbraw/zinc/68/38/71/719683871.db2.gz LDZQXGOJZAIUCB-HXUWFJFHSA-N 1 1 469.073 4.559 20 0 JJADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(-c3ccc(Cl)cc3)nc3cc(Cl)ccc31)CC2 ZINC001164684672 719725266 /nfs/dbraw/zinc/72/52/66/719725266.db2.gz JIFMLYCEFDVJJP-UHFFFAOYSA-N 1 1 484.431 4.784 20 0 JJADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2ccc4ncnc(Cl)c4n2)CC3)cs1 ZINC001164694449 719810127 /nfs/dbraw/zinc/81/01/27/719810127.db2.gz YBTFYWRNAQUMFH-UHFFFAOYSA-N 1 1 464.973 4.623 20 0 JJADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2ccc4ncnc(Cl)c4n2)CC3)cs1 ZINC001164694449 719810128 /nfs/dbraw/zinc/81/01/28/719810128.db2.gz YBTFYWRNAQUMFH-UHFFFAOYSA-N 1 1 464.973 4.623 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC4(C[C@H](c5cnn(C)c5)CO4)CC3)c2c1C ZINC001164700068 719826304 /nfs/dbraw/zinc/82/63/04/719826304.db2.gz ZZGUOLUKSMLEMJ-FQEVSTJZSA-N 1 1 480.682 4.571 20 0 JJADMO COC[C@@H]1CN(c2nc(C[NH+]3CCCCC3)nc3scc(-c4ccccc4)c32)Cc2cn(C)nc21 ZINC001164696856 719832250 /nfs/dbraw/zinc/83/22/50/719832250.db2.gz VPNXAJVVIBVZTN-NRFANRHFSA-N 1 1 488.661 4.828 20 0 JJADMO FC(F)(c1nc2ccsc2c(Cl)n1)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164695330 719889209 /nfs/dbraw/zinc/88/92/09/719889209.db2.gz OFNZDDCXIFZPGQ-UHFFFAOYSA-N 1 1 470.998 4.823 20 0 JJADMO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164697597 719897602 /nfs/dbraw/zinc/89/76/02/719897602.db2.gz LVAYMUXTIGAQST-UHFFFAOYSA-N 1 1 491.995 4.670 20 0 JJADMO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164707757 719908607 /nfs/dbraw/zinc/90/86/07/719908607.db2.gz XNCZFDUFBXORQK-UHFFFAOYSA-N 1 1 495.039 4.590 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)C2 ZINC001164815834 720094308 /nfs/dbraw/zinc/09/43/08/720094308.db2.gz ZZOPADVQWHJJQG-NZQKXSOJSA-N 1 1 462.972 4.527 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)cnc1Cl)CC2 ZINC001164709648 720097601 /nfs/dbraw/zinc/09/76/01/720097601.db2.gz BVPFMCHGDNEXMD-GOSISDBHSA-N 1 1 471.379 4.836 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc(Cl)c3ccccc3n1)CC2 ZINC001164710230 720098302 /nfs/dbraw/zinc/09/83/02/720098302.db2.gz HNNFSKSXBJPSML-IBGZPJMESA-N 1 1 487.982 4.731 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc3ncc(Cl)nc3c1)CC2 ZINC001164712636 720104883 /nfs/dbraw/zinc/10/48/83/720104883.db2.gz XKTOWSYQDMDWOM-FQEVSTJZSA-N 1 1 487.982 4.731 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)Oc1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164808181 720111896 /nfs/dbraw/zinc/11/18/96/720111896.db2.gz DVWDMKSUOGJMHP-QVKFZJNVSA-N 1 1 487.378 4.546 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncccc1OCc1ccc(F)cc1)CC2 ZINC001164712478 720146511 /nfs/dbraw/zinc/14/65/11/720146511.db2.gz MNFFVAJZPFVUGK-RUZDIDTESA-N 1 1 476.596 4.702 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(Cl)nc1-c1ccccc1)CC2 ZINC001164711106 720147213 /nfs/dbraw/zinc/14/72/13/720147213.db2.gz FJSKZHKATHMJPH-QFIPXVFZSA-N 1 1 464.013 4.700 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(SCc3ccccc3)ncn1)CC2 ZINC001164710382 720149656 /nfs/dbraw/zinc/14/96/56/720149656.db2.gz AGSLPSUXMNXAFT-DEOSSOPVSA-N 1 1 475.662 4.671 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(SCc3ccccc3)n1)CC2 ZINC001164713071 720151870 /nfs/dbraw/zinc/15/18/70/720151870.db2.gz QAOPNSFTCPAVKY-DEOSSOPVSA-N 1 1 475.662 4.671 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1c(Cl)nc(Cl)nc1C1CC1)CC2 ZINC001164711264 720155942 /nfs/dbraw/zinc/15/59/42/720155942.db2.gz ALRKRQUVUYHIPT-SFHVURJKSA-N 1 1 462.425 4.563 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)C1(c3ccnc(Cl)c3)CC1)CC2 ZINC001164714089 720156179 /nfs/dbraw/zinc/15/61/79/720156179.db2.gz OLVUMZBBGOAXEO-OAQYLSRUSA-N 1 1 476.999 4.758 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)nc3c1CCC3)CC2 ZINC001164716064 720157985 /nfs/dbraw/zinc/15/79/85/720157985.db2.gz XJOJQSTVEJKOGI-LJQANCHMSA-N 1 1 476.999 4.671 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)C2 ZINC001164816051 720159717 /nfs/dbraw/zinc/15/97/17/720159717.db2.gz JZIWFJZVXMHPOO-SCLBCKFNSA-N 1 1 454.776 4.771 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C)c(Cc3ccc(Cl)cc3)c(C)n1)C2 ZINC001164818734 720194081 /nfs/dbraw/zinc/19/40/81/720194081.db2.gz ULFOBBGBLMNEJI-ATIYNZHBSA-N 1 1 455.046 4.522 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)C2 ZINC001164815260 720202914 /nfs/dbraw/zinc/20/29/14/720202914.db2.gz YAMYNMIOGDVKJS-HXOBKFHXSA-N 1 1 480.962 4.666 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@H]2CCC(=O)N3Cc2csc(C)n2)n1 ZINC001164817952 720257988 /nfs/dbraw/zinc/25/79/88/720257988.db2.gz VFSSYZZWGGQAPN-WOJBJXKFSA-N 1 1 498.722 4.685 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@@H]2CCC(=O)N3Cc2csc(C)n2)n1 ZINC001164817951 720258152 /nfs/dbraw/zinc/25/81/52/720258152.db2.gz VFSSYZZWGGQAPN-VQTJNVASSA-N 1 1 498.722 4.685 20 0 JJADMO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)n2)cc1 ZINC001164725617 720359413 /nfs/dbraw/zinc/35/94/13/720359413.db2.gz OKGRWNQHSOGERA-LOSJGSFVSA-N 1 1 455.537 4.693 20 0 JJADMO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)n2)cc1 ZINC001164725614 720359858 /nfs/dbraw/zinc/35/98/58/720359858.db2.gz OKGRWNQHSOGERA-JWQCQUIFSA-N 1 1 455.537 4.693 20 0 JJADMO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731041 720367378 /nfs/dbraw/zinc/36/73/78/720367378.db2.gz YISFAQBMZJHLSV-ROUUACIJSA-N 1 1 450.320 4.730 20 0 JJADMO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164731041 720367384 /nfs/dbraw/zinc/36/73/84/720367384.db2.gz YISFAQBMZJHLSV-ROUUACIJSA-N 1 1 450.320 4.730 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](OCc3csc(C)n3)[C@@H]3OCCC[C@H]32)nc1 ZINC001164824425 720392851 /nfs/dbraw/zinc/39/28/51/720392851.db2.gz RPCHXRWWYLDCRS-AGDMDRQQSA-N 1 1 456.656 4.737 20 0 JJADMO Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3c3nc(C[NH+]4CCC(C)CC4)nc4sc5c(c43)CCC5)O2)n1 ZINC001164826134 720408426 /nfs/dbraw/zinc/40/84/26/720408426.db2.gz BTXKVKBHYGWPOO-UFYCRDLUSA-N 1 1 494.665 4.602 20 0 JJADMO Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)O2)n1 ZINC001164827551 720408618 /nfs/dbraw/zinc/40/86/18/720408618.db2.gz FZUVWVFMNHXIAO-AABGKKOBSA-N 1 1 494.665 4.746 20 0 JJADMO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cc1 ZINC001164735964 720421790 /nfs/dbraw/zinc/42/17/90/720421790.db2.gz ZZEKWYWRSCXFPW-FGZHOGPDSA-N 1 1 498.961 4.982 20 0 JJADMO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001164735964 720421799 /nfs/dbraw/zinc/42/17/99/720421799.db2.gz ZZEKWYWRSCXFPW-FGZHOGPDSA-N 1 1 498.961 4.982 20 0 JJADMO COC(=O)c1sc2nc(Cc3ccccc3)nc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164730960 720441576 /nfs/dbraw/zinc/44/15/76/720441576.db2.gz KLGSXVRMXCUUMW-FGZHOGPDSA-N 1 1 499.640 4.625 20 0 JJADMO COc1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c(Cl)nn1 ZINC001164729552 720484205 /nfs/dbraw/zinc/48/42/05/720484205.db2.gz RNWKSHKUCHJZFE-RTWAWAEBSA-N 1 1 471.939 4.599 20 0 JJADMO COc1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c(Cl)nn1 ZINC001164729552 720484209 /nfs/dbraw/zinc/48/42/09/720484209.db2.gz RNWKSHKUCHJZFE-RTWAWAEBSA-N 1 1 471.939 4.599 20 0 JJADMO Fc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164723564 720485360 /nfs/dbraw/zinc/48/53/60/720485360.db2.gz CLTWQAZFYUYSBT-RTWAWAEBSA-N 1 1 459.903 4.729 20 0 JJADMO Fc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164723564 720485372 /nfs/dbraw/zinc/48/53/72/720485372.db2.gz CLTWQAZFYUYSBT-RTWAWAEBSA-N 1 1 459.903 4.729 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4scc(-c5ccccc5)c43)CC[C@@H]21 ZINC001164832466 720523199 /nfs/dbraw/zinc/52/31/99/720523199.db2.gz AVWXHCJLVKRGFB-FUDKSRODSA-N 1 1 458.635 4.933 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)CC[C@@H]21 ZINC001164842043 720538435 /nfs/dbraw/zinc/53/84/35/720538435.db2.gz WEOHCJJCKQGOSY-SYNHAJSKSA-N 1 1 478.950 4.542 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(-c4ccc(C5OCCCO5)cc4)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842183 720583455 /nfs/dbraw/zinc/58/34/55/720583455.db2.gz UIIKYVRKWNMANW-KWXIBIRDSA-N 1 1 487.648 4.758 20 0 JJADMO CSc1ccc(Oc2cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)ncn2)cc1 ZINC001164835177 720584929 /nfs/dbraw/zinc/58/49/29/720584929.db2.gz AHHMWKRCVTUKHZ-TXTKFYIRSA-N 1 1 464.639 4.565 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(C(=O)Nc4cccc(Cl)c4)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839258 720605164 /nfs/dbraw/zinc/60/51/64/720605164.db2.gz MYRAXUQKLLAXNR-FGCOXFRFSA-N 1 1 479.028 4.562 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)CC[C@@H]21 ZINC001164844189 720608770 /nfs/dbraw/zinc/60/87/70/720608770.db2.gz ZTBOZWMEOZJPOM-QTEQDKRBSA-N 1 1 486.998 4.916 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)CC[C@@H]21 ZINC001164839324 720609447 /nfs/dbraw/zinc/60/94/47/720609447.db2.gz NGHZYHZDLHQDOL-ZWOKBUDYSA-N 1 1 493.027 4.978 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(Cl)nc(-c4ccc(F)cc4)n3)CC[C@@H]21 ZINC001164842196 720618772 /nfs/dbraw/zinc/61/87/72/720618772.db2.gz UJLLDCAPRFTSLK-JBACZVJFSA-N 1 1 454.981 4.510 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(-c4cccc5ccccc54)nn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839496 720624023 /nfs/dbraw/zinc/62/40/23/720624023.db2.gz NLOWOPKLOOIBRJ-VMODYCNZSA-N 1 1 452.606 4.871 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(-c4ccc(N5CCCCC5)cc4)nn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836786 720629383 /nfs/dbraw/zinc/62/93/83/720629383.db2.gz GXKVXQZOTXZAPM-GYGTVUFYSA-N 1 1 485.680 4.708 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)CC[C@@H]21 ZINC001164838318 720629833 /nfs/dbraw/zinc/62/98/33/720629833.db2.gz KTLYANVWOBVAGG-NWSQWKLXSA-N 1 1 486.998 4.916 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)CC[C@@H]21 ZINC001164836598 720630051 /nfs/dbraw/zinc/63/00/51/720630051.db2.gz FXYJXJNDPLRIQR-RRPUWOKSSA-N 1 1 486.998 4.916 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cnc(Cl)nc3Oc3cccc(F)c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838283 720643722 /nfs/dbraw/zinc/64/37/22/720643722.db2.gz KOWCUDXEJCALIN-HFSMHLIXSA-N 1 1 470.980 4.636 20 0 JJADMO COc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164838117 720644637 /nfs/dbraw/zinc/64/46/37/720644637.db2.gz FGNROVZMEYIOBC-HSALFYBXSA-N 1 1 483.016 4.505 20 0 JJADMO COc1ccc2nc(Cl)nc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2c1 ZINC001164838176 720657128 /nfs/dbraw/zinc/65/71/28/720657128.db2.gz GBXYVLOQJVFWKP-IBGZPJMESA-N 1 1 452.986 4.552 20 0 JJADMO COc1ccc2nc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c(Cl)nc2c1 ZINC001164843645 720682849 /nfs/dbraw/zinc/68/28/49/720682849.db2.gz PTJIJZCQMAKUKD-IBGZPJMESA-N 1 1 452.986 4.552 20 0 JJADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840425 720687369 /nfs/dbraw/zinc/68/73/69/720687369.db2.gz DRGKBYONXQWBHH-HXUWFJFHSA-N 1 1 495.023 4.720 20 0 JJADMO COc1ccc(C(F)(F)N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1Cl ZINC001164845416 720696354 /nfs/dbraw/zinc/69/63/54/720696354.db2.gz ZIGBMKOCHLOZIF-GOSISDBHSA-N 1 1 451.945 4.548 20 0 JJADMO CCOC(=O)c1ccc(C(F)(F)N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)n1 ZINC001164840918 720708407 /nfs/dbraw/zinc/70/84/07/720708407.db2.gz SOMVYQIIQQTIKU-IBGZPJMESA-N 1 1 493.982 4.717 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc(-c3ccncc3)n1)CC2 ZINC001164837017 720710202 /nfs/dbraw/zinc/71/02/02/720710202.db2.gz CUTPMAJZFKTETH-NRFANRHFSA-N 1 1 499.993 4.997 20 0 JJADMO COc1ccc(Oc2cc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nc(C)n2)cc1 ZINC001164838999 720724773 /nfs/dbraw/zinc/72/47/73/720724773.db2.gz KBTPTDPFYGMYOE-HSZRJFAPSA-N 1 1 474.605 4.846 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)COC(=O)Nc1cccnc1Cl)CC2 ZINC001164837038 720726531 /nfs/dbraw/zinc/72/65/31/720726531.db2.gz CZUZSFRSLQOFBW-LJQANCHMSA-N 1 1 494.970 4.632 20 0 JJADMO CC[C@@H]1N(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CC[C@H](C)C4)CCC[C@]12CCC(=O)N2 ZINC001164850483 720755017 /nfs/dbraw/zinc/75/50/17/720755017.db2.gz XALGPKNFSIXGSD-DHGLHQTCSA-N 1 1 481.710 4.830 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@@H]2CCC(=O)N3c2ccccc2)n1 ZINC001164843693 720766531 /nfs/dbraw/zinc/76/65/31/720766531.db2.gz AKMHRVSGMZKZFI-LEWJYISDSA-N 1 1 463.651 4.924 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@@H]32)nc1 ZINC001164844351 720780163 /nfs/dbraw/zinc/78/01/63/720780163.db2.gz BMTJOBIMMMYBMY-XPGKHFPBSA-N 1 1 450.627 4.757 20 0 JJADMO Clc1ccc(-c2nnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c3ccccc32)cc1Cl ZINC001164741720 720784575 /nfs/dbraw/zinc/78/45/75/720784575.db2.gz MWPVRWITQKHGKF-MSOLQXFVSA-N 1 1 493.398 4.736 20 0 JJADMO FC(F)(c1cnc(Cl)c(-c2ccc(Cl)cc2)c1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164749765 720806423 /nfs/dbraw/zinc/80/64/23/720806423.db2.gz UODUWPQINVOIDL-MOPGFXCFSA-N 1 1 492.357 4.732 20 0 JJADMO FC(F)(c1cnc(Cl)c(-c2ccc(Cl)cc2)c1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164749765 720806425 /nfs/dbraw/zinc/80/64/25/720806425.db2.gz UODUWPQINVOIDL-MOPGFXCFSA-N 1 1 492.357 4.732 20 0 JJADMO c1ncn(C[C@@H]2C[C@@H]3CN(c4nc(-c5ccccc5)cc(-c5ccccc5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164741484 720820400 /nfs/dbraw/zinc/82/04/00/720820400.db2.gz NVUWWCXQDRCFGQ-UWPQIUOOSA-N 1 1 491.643 4.782 20 0 JJADMO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)cc1 ZINC001164745160 720836935 /nfs/dbraw/zinc/83/69/35/720836935.db2.gz MAELMRLXHVLCPK-NLJOTIRTSA-N 1 1 479.632 4.576 20 0 JJADMO c1ncn(C[C@H]2C[C@@H]3CN(c4ccc(-c5ccc(-c6ccccc6)cc5)nn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164752616 720852407 /nfs/dbraw/zinc/85/24/07/720852407.db2.gz SZEDINHPHQHKGD-LSMIHOHGSA-N 1 1 491.643 4.782 20 0 JJADMO Fc1ccc2nc(Cl)nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164755436 720875006 /nfs/dbraw/zinc/87/50/06/720875006.db2.gz WWUBVFLEBGJWCA-RXFWQSSRSA-N 1 1 482.003 4.572 20 0 JJADMO Fc1ccc(C(F)(F)N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1Cl ZINC001164754594 720875553 /nfs/dbraw/zinc/87/55/53/720875553.db2.gz SBTCTMMHSFHSLW-XXBNENTESA-N 1 1 480.962 4.569 20 0 JJADMO Clc1cc(-c2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2)ccn1 ZINC001164752471 720879917 /nfs/dbraw/zinc/87/99/17/720879917.db2.gz NBDZKCMYWDOFOY-NAKRPHOHSA-N 1 1 490.051 4.947 20 0 JJADMO Fc1cccc2c1nc(Cl)nc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758788 720886184 /nfs/dbraw/zinc/88/61/84/720886184.db2.gz ZMMBKYORSBJLKI-FNZWTVRRSA-N 1 1 482.003 4.572 20 0 JJADMO Cc1cccc2c(Cl)nnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164755045 720887375 /nfs/dbraw/zinc/88/73/75/720887375.db2.gz KKMXTKLQPXIJED-CUNXSJBXSA-N 1 1 478.040 4.742 20 0 JJADMO Cc1cccc2c(Cl)nnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164755043 720887608 /nfs/dbraw/zinc/88/76/08/720887608.db2.gz KKMXTKLQPXIJED-AMGIVPHBSA-N 1 1 478.040 4.742 20 0 JJADMO Cc1cc(Cl)ncc1C(F)(F)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757206 720890518 /nfs/dbraw/zinc/89/05/18/720890518.db2.gz UIUTWJIVLVYXIM-ZJSXRUAMSA-N 1 1 476.999 4.738 20 0 JJADMO Clc1ncc(-c2ccccc2)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755363 720891038 /nfs/dbraw/zinc/89/10/38/720891038.db2.gz LLCVUVQUEGCZDJ-CUBQBAPOSA-N 1 1 490.051 4.947 20 0 JJADMO Fc1cccc(Oc2cncc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)c1 ZINC001164756957 720898706 /nfs/dbraw/zinc/89/87/06/720898706.db2.gz SPJKESGYUFOUDB-LXFBAYGMSA-N 1 1 489.595 4.558 20 0 JJADMO Fc1cc2ncnc(Cl)c2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164757133 720904472 /nfs/dbraw/zinc/90/44/72/720904472.db2.gz SUTSWZFAQRKNCX-IBVKSMDESA-N 1 1 482.003 4.572 20 0 JJADMO CC(C)n1ccc2c1nc(Cl)nc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751528 720905199 /nfs/dbraw/zinc/90/51/99/720905199.db2.gz MRQONGGIIRIPFI-AJTFRIOCSA-N 1 1 495.071 4.816 20 0 JJADMO CC(C)n1ccc2c1nc(Cl)nc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751534 720906359 /nfs/dbraw/zinc/90/63/59/720906359.db2.gz MRQONGGIIRIPFI-AMGIVPHBSA-N 1 1 495.071 4.816 20 0 JJADMO CC(C)(C)OC(=O)Nc1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164754614 720907027 /nfs/dbraw/zinc/90/70/27/720907027.db2.gz WFRYGRXVSFLBGU-LXFBAYGMSA-N 1 1 493.652 4.579 20 0 JJADMO CC(C)(C)OC(=O)Nc1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164754616 720907146 /nfs/dbraw/zinc/90/71/46/720907146.db2.gz WFRYGRXVSFLBGU-QDPGVEIFSA-N 1 1 493.652 4.579 20 0 JJADMO Cc1ccc(-c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)cc1 ZINC001164746520 720909364 /nfs/dbraw/zinc/90/93/64/720909364.db2.gz BGZAYQOTFREOFB-WNJJXGMVSA-N 1 1 469.633 4.602 20 0 JJADMO CCc1ccc(-c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)cc1 ZINC001164747879 720920942 /nfs/dbraw/zinc/92/09/42/720920942.db2.gz DPHSJAISICEFML-POURPWNDSA-N 1 1 483.660 4.856 20 0 JJADMO Fc1cccc(F)c1-c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164753760 720921165 /nfs/dbraw/zinc/92/11/65/720921165.db2.gz SMMNCTFIPBUMJA-DWACAAAGSA-N 1 1 491.586 4.572 20 0 JJADMO CSc1ccc2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164751322 720933182 /nfs/dbraw/zinc/93/31/82/720933182.db2.gz LIHPBWSWCQRLDF-CUNXSJBXSA-N 1 1 475.662 4.502 20 0 JJADMO Cc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1-c1ccccc1F ZINC001164746532 720934605 /nfs/dbraw/zinc/93/46/05/720934605.db2.gz BKKKLGNNJMIMLN-GIGWZHCTSA-N 1 1 487.623 4.741 20 0 JJADMO Clc1nc(Cl)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(C2CC2)n1 ZINC001164747811 720936569 /nfs/dbraw/zinc/93/65/69/720936569.db2.gz DJYMSTFMVZSMLJ-NLFFAJNJSA-N 1 1 488.463 4.811 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)[C@H]2C ZINC001164858614 720939372 /nfs/dbraw/zinc/93/93/72/720939372.db2.gz JPPBDMPQILSPBK-ZDUSSCGKSA-N 1 1 452.912 4.585 20 0 JJADMO Cc1sc2nc(-c3cccnc3)nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c2c1C ZINC001164864236 721003353 /nfs/dbraw/zinc/00/33/53/721003353.db2.gz ZWSUKQFWDZZJHY-KRWDZBQOSA-N 1 1 461.639 4.988 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN([C@@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)[C@H]2C ZINC001164857993 721009697 /nfs/dbraw/zinc/00/96/97/721009697.db2.gz FAOZISCAFVTUJE-QMHKHESXSA-N 1 1 458.969 4.542 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(-c3ccc(N4CCCCC4)cc3)nn1)[C@H]2C ZINC001164856419 721013836 /nfs/dbraw/zinc/01/38/36/721013836.db2.gz AEGWBZBVJJJZSV-NRFANRHFSA-N 1 1 459.642 4.752 20 0 JJADMO COc1ccc(Oc2nc(Cl)ncc2N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)cc1 ZINC001164864888 721020838 /nfs/dbraw/zinc/02/08/38/721020838.db2.gz ZXSSCGJKQUOZGA-MRXNPFEDSA-N 1 1 456.978 4.549 20 0 JJADMO COc1cccc(-c2cc(C(F)(F)N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)c(Cl)nn2)c1 ZINC001164859463 721022089 /nfs/dbraw/zinc/02/20/89/721022089.db2.gz IENNGVWADNLBLV-MRXNPFEDSA-N 1 1 490.986 4.968 20 0 JJADMO CCn1nnc2c1CCN(c1ccc([C@H]3CCCC[N@H+]3CC)cn1)[C@H]2COCc1ccccc1 ZINC001164772937 721049099 /nfs/dbraw/zinc/04/90/99/721049099.db2.gz QUOYJLBNYAVXBS-NOZRDPDXSA-N 1 1 460.626 4.561 20 0 JJADMO c1ccc(-c2cc(-c3ccccc3)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164867810 721068028 /nfs/dbraw/zinc/06/80/28/721068028.db2.gz KMSQFDLJAJNMLR-FTJBHMTQSA-N 1 1 463.585 4.685 20 0 JJADMO Fc1ccccc1-c1nc2ccc(Cl)cc2c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867376 721068821 /nfs/dbraw/zinc/06/88/21/721068821.db2.gz IQYCDBUJCZCRPZ-LEWJYISDSA-N 1 1 489.982 4.964 20 0 JJADMO Fc1ccc(-c2nc3cc(Cl)ccc3c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164864424 721103116 /nfs/dbraw/zinc/10/31/16/721103116.db2.gz FVFHNASMSNZBOB-XZOQPEGZSA-N 1 1 489.982 4.964 20 0 JJADMO c1ccc(COc2ccc3nc(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)ccc3c2)cc1 ZINC001164864409 721105025 /nfs/dbraw/zinc/10/50/25/721105025.db2.gz FTTSIZMKHLEGLJ-VPUSJEBWSA-N 1 1 466.585 4.689 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5nc(Cl)cc(Cl)c5c4)C[C@H]3C2)cn1 ZINC001164770598 721115551 /nfs/dbraw/zinc/11/55/51/721115551.db2.gz RELBOINYQSDZQA-HZPDHXFCSA-N 1 1 466.363 4.778 20 0 JJADMO Clc1nc2sc(-c3ccccc3)cc2c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867235 721119733 /nfs/dbraw/zinc/11/97/33/721119733.db2.gz XEMDSIKANXKKJX-WOJBJXKFSA-N 1 1 478.021 4.886 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cnc(-c5ccccc5)c(-c5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164772760 721121741 /nfs/dbraw/zinc/12/17/41/721121741.db2.gz WKWZUMQPBILBBD-LOSJGSFVSA-N 1 1 450.590 4.502 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c3ccccc32)cc1C ZINC001164878895 721142064 /nfs/dbraw/zinc/14/20/64/721142064.db2.gz QTYGHDNZUXZVBZ-LOSJGSFVSA-N 1 1 465.601 4.788 20 0 JJADMO Cc1sc2nc(-c3cccs3)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1C ZINC001164874475 721144170 /nfs/dbraw/zinc/14/41/70/721144170.db2.gz KBYKZAPHSNBSKZ-WOJBJXKFSA-N 1 1 477.659 4.911 20 0 JJADMO c1csc(-c2nc3sc4c(c3c(N3CC[N@H+]5C[C@H](OCc6cccnc6)C[C@H]5C3)n2)CCC4)c1 ZINC001164872673 721145086 /nfs/dbraw/zinc/14/50/86/721145086.db2.gz IBYMHIVHNSPSIN-RBUKOAKNSA-N 1 1 489.670 4.783 20 0 JJADMO c1csc(-c2nc(-c3ccccc3)cc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)c1 ZINC001164873619 721161025 /nfs/dbraw/zinc/16/10/25/721161025.db2.gz JHKRMRLWRATGSI-DHIUTWEWSA-N 1 1 469.614 4.747 20 0 JJADMO c1ccc(Oc2ccc(-c3ccc(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@H]5C4)nn3)cc2)cc1 ZINC001164881086 721171265 /nfs/dbraw/zinc/17/12/65/721171265.db2.gz ZAAVGBHCQKQJOO-IGKIAQTJSA-N 1 1 479.584 4.811 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(-c5ccccc5)nc(-c5cccs5)n4)C[C@H]3C2)cn1 ZINC001164764225 721215670 /nfs/dbraw/zinc/21/56/70/721215670.db2.gz GPBDANDZMMXRAY-FCHUYYIVSA-N 1 1 456.619 4.564 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(-c5ccsc5)nc5sc6c(c54)CCCC6)C[C@@H]3C2)cn1 ZINC001164765105 721218959 /nfs/dbraw/zinc/21/89/59/721218959.db2.gz HUHYXMAIBFBGPX-ICSRJNTNSA-N 1 1 490.702 4.990 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccccc5F)c4)C[C@@H]3C2)cn1 ZINC001164764905 721225060 /nfs/dbraw/zinc/22/50/60/721225060.db2.gz HCELJHFAKCEHGK-MSOLQXFVSA-N 1 1 475.946 4.778 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(-c5ccc(C6CCCCC6)cc5)nn4)C[C@H]3C2)cn1 ZINC001164766848 721227419 /nfs/dbraw/zinc/22/74/19/721227419.db2.gz VPEPKSNDDSIHHL-CLJLJLNGSA-N 1 1 456.638 4.883 20 0 JJADMO COc1cccc(-c2cc(C(F)(F)N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164763893 721247084 /nfs/dbraw/zinc/24/70/84/721247084.db2.gz NVXPTJVMCCTMTO-WOJBJXKFSA-N 1 1 487.982 4.647 20 0 JJADMO Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2CC3(C2)CC[N@@H+](CC2CC2)C3)c2ccccc21 ZINC001164772505 721291907 /nfs/dbraw/zinc/29/19/07/721291907.db2.gz ICMDHCSGXCNASI-UHFFFAOYSA-N 1 1 457.956 4.756 20 0 JJADMO O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164770750 721293215 /nfs/dbraw/zinc/29/32/15/721293215.db2.gz VMOOBRBEHGHGFM-UHFFFAOYSA-N 1 1 497.373 4.607 20 0 JJADMO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC3(C2)CC[N@@H+](CC2CC2)C3)cc1 ZINC001164771115 721295592 /nfs/dbraw/zinc/29/55/92/721295592.db2.gz XSIQMXUPGMOGAT-UHFFFAOYSA-N 1 1 461.940 4.656 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)n1 ZINC001164879579 721314288 /nfs/dbraw/zinc/31/42/88/721314288.db2.gz NRZRTKQMWGKANG-PCCBWWKXSA-N 1 1 481.666 4.608 20 0 JJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)n1 ZINC001164880780 721319253 /nfs/dbraw/zinc/31/92/53/721319253.db2.gz ZISAFPXVWCZKAF-QHCPKHFHSA-N 1 1 497.668 4.920 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC4(C[C@@H](Oc5ncccc5F)CO4)CC3)c2c1C ZINC001164777818 721327252 /nfs/dbraw/zinc/32/72/52/721327252.db2.gz RCAXIYGIHFCREI-LJQANCHMSA-N 1 1 497.640 4.645 20 0 JJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3ccnn3C[C@H](COCc3csc(C)n3)C2)nc1 ZINC001164876311 721332666 /nfs/dbraw/zinc/33/26/66/721332666.db2.gz NYGKOXSREBHISU-BWKNWUBXSA-N 1 1 480.682 4.833 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nc(Cl)c3)C2)C1 ZINC001164778642 721335555 /nfs/dbraw/zinc/33/55/55/721335555.db2.gz XWKJXISQNNZLSF-FQEVSTJZSA-N 1 1 475.367 4.657 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nc(Cl)c3)C2)C1 ZINC001164778642 721335557 /nfs/dbraw/zinc/33/55/57/721335557.db2.gz XWKJXISQNNZLSF-FQEVSTJZSA-N 1 1 475.367 4.657 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(Cl)c(Cl)n3)C2)C1 ZINC001164777253 721349963 /nfs/dbraw/zinc/34/99/63/721349963.db2.gz FFQIFMRVAFHEHA-FQEVSTJZSA-N 1 1 475.367 4.657 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(Cl)c(Cl)n3)C2)C1 ZINC001164777253 721349967 /nfs/dbraw/zinc/34/99/67/721349967.db2.gz FFQIFMRVAFHEHA-FQEVSTJZSA-N 1 1 475.367 4.657 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(F)cc4ccc(Cl)nc43)C2)C1 ZINC001164779775 721350683 /nfs/dbraw/zinc/35/06/83/721350683.db2.gz WJRMOPMZJZTHFJ-DEOSSOPVSA-N 1 1 458.965 4.751 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cccc(-c4cccc(Cl)n4)n3)C2)C1 ZINC001164776247 721350710 /nfs/dbraw/zinc/35/07/10/721350710.db2.gz AMEVLDODPGXLJC-VWLOTQADSA-N 1 1 468.001 4.521 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ncc3-c3ccccc3)C2)C1 ZINC001164779764 721351543 /nfs/dbraw/zinc/35/15/43/721351543.db2.gz VXOAPIWJOCVWIH-VWLOTQADSA-N 1 1 468.001 4.521 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4cnc(Cl)nc4c3)C2)C1 ZINC001164786123 721356693 /nfs/dbraw/zinc/35/66/93/721356693.db2.gz WJBRLENRBMDMJQ-HSZRJFAPSA-N 1 1 491.970 4.552 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4cnc(Cl)nc4c3)C2)C1 ZINC001164786123 721356698 /nfs/dbraw/zinc/35/66/98/721356698.db2.gz WJBRLENRBMDMJQ-HSZRJFAPSA-N 1 1 491.970 4.552 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc4ccc(C)cc43)C2)C1 ZINC001164780755 721359487 /nfs/dbraw/zinc/35/94/87/721359487.db2.gz HCCGEVWGPZALAU-RUZDIDTESA-N 1 1 455.002 4.920 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C)c4cccc(Cl)c4n3)C2)C1 ZINC001164780816 721360093 /nfs/dbraw/zinc/36/00/93/721360093.db2.gz HVELKTFEQXDDEF-VWLOTQADSA-N 1 1 455.002 4.920 20 0 JJADMO CSc1cnc(Cl)c(C(F)(F)N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1 ZINC001164780808 721364241 /nfs/dbraw/zinc/36/42/41/721364241.db2.gz HSKHOCDEFVLKPV-OAQYLSRUSA-N 1 1 487.016 4.726 20 0 JJADMO CSc1cnc(Cl)c(C(F)(F)N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1 ZINC001164780808 721364244 /nfs/dbraw/zinc/36/42/44/721364244.db2.gz HSKHOCDEFVLKPV-OAQYLSRUSA-N 1 1 487.016 4.726 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3c(C)nc(-c4ccccc4)nc3Cl)C2)C1 ZINC001164780106 721367687 /nfs/dbraw/zinc/36/76/87/721367687.db2.gz DHMQOJKQJWCYQW-SANMLTNESA-N 1 1 482.028 4.829 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3c(C)nc(-c4ccccc4)nc3Cl)C2)C1 ZINC001164780106 721367690 /nfs/dbraw/zinc/36/76/90/721367690.db2.gz DHMQOJKQJWCYQW-SANMLTNESA-N 1 1 482.028 4.829 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4c(Cl)cccc4nc3Cl)C2)C1 ZINC001164787944 721373788 /nfs/dbraw/zinc/37/37/88/721373788.db2.gz YNAUJGIXVKVPRV-QHCPKHFHSA-N 1 1 476.408 4.660 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc4c(Cl)cccc4nc3Cl)C2)C1 ZINC001164787944 721373791 /nfs/dbraw/zinc/37/37/91/721373791.db2.gz YNAUJGIXVKVPRV-QHCPKHFHSA-N 1 1 476.408 4.660 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3cccc(C)c3)C2)C1 ZINC001164782476 721374971 /nfs/dbraw/zinc/37/49/71/721374971.db2.gz LYRSKRXPZPMSBT-SANMLTNESA-N 1 1 498.027 4.955 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3cccc(C)c3)C2)C1 ZINC001164782476 721374977 /nfs/dbraw/zinc/37/49/77/721374977.db2.gz LYRSKRXPZPMSBT-SANMLTNESA-N 1 1 498.027 4.955 20 0 JJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@]3(CCC[C@@H]3COCc3ccncc3)C2)nc1 ZINC001164783174 721386621 /nfs/dbraw/zinc/38/66/21/721386621.db2.gz NVEHIBIMWUZSPI-SLQPCKNISA-N 1 1 450.627 4.616 20 0 JJADMO Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)n1 ZINC001164783977 721410836 /nfs/dbraw/zinc/41/08/36/721410836.db2.gz JPTAQVTVSWHAOP-SFTDATJTSA-N 1 1 475.021 4.884 20 0 JJADMO c1csc(C[N@H+]2C[C@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCCC6)C[C@H]3C2)n1 ZINC001164787243 721424902 /nfs/dbraw/zinc/42/49/02/721424902.db2.gz PSEJQSDACKOYKA-HDICACEKSA-N 1 1 474.659 4.657 20 0 JJADMO c1csc(C[N@@H+]2C[C@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCCC6)C[C@H]3C2)n1 ZINC001164787243 721424904 /nfs/dbraw/zinc/42/49/04/721424904.db2.gz PSEJQSDACKOYKA-HDICACEKSA-N 1 1 474.659 4.657 20 0 JJADMO COCc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164787258 721431884 /nfs/dbraw/zinc/43/18/84/721431884.db2.gz PSICTJOCLZBRJB-QZTJIDSGSA-N 1 1 463.632 4.529 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(-c5ccccc5)c5ccccc5n4)C3)O2)CC1 ZINC001164899167 721432448 /nfs/dbraw/zinc/43/24/48/721432448.db2.gz YAAZWXULUYYXPW-OUTSHDOLSA-N 1 1 456.634 4.667 20 0 JJADMO Cc1sc2nc(-c3cccs3)nc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2c1C ZINC001164898665 721434723 /nfs/dbraw/zinc/43/47/23/721434723.db2.gz WINMSNYVUOKIIF-IBVKSMDESA-N 1 1 497.734 4.802 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cc3cc(F)ccc31)CC2 ZINC001164787630 721448255 /nfs/dbraw/zinc/44/82/55/721448255.db2.gz OWTRIKXPAXWKKH-NRFANRHFSA-N 1 1 462.009 4.761 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3ccc(Cl)cc31)CC2 ZINC001164784518 721450093 /nfs/dbraw/zinc/45/00/93/721450093.db2.gz FWSGOBOHRBOFEO-IBGZPJMESA-N 1 1 479.452 4.671 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)c(Cl)c1)CC2 ZINC001164786589 721450760 /nfs/dbraw/zinc/45/07/60/721450760.db2.gz NBJVKADWEUKLEN-GOSISDBHSA-N 1 1 478.411 4.667 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1nc(Cl)c3ccccc3n1)CC2 ZINC001164785960 721451333 /nfs/dbraw/zinc/45/13/33/721451333.db2.gz KJSPFEOMTTVHBO-IBGZPJMESA-N 1 1 495.014 4.562 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1ccc3ncc(Cl)nc3c1)CC2 ZINC001164789409 721454142 /nfs/dbraw/zinc/45/41/42/721454142.db2.gz VNTVMTQKOJZELY-HXUWFJFHSA-N 1 1 495.014 4.562 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cc3ccc(F)cc31)CC2 ZINC001164790563 721455188 /nfs/dbraw/zinc/45/51/88/721455188.db2.gz ZICCTEWEIQTDBG-OAQYLSRUSA-N 1 1 462.009 4.761 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)nc3sccc31)CC2 ZINC001164784258 721456101 /nfs/dbraw/zinc/45/61/01/721456101.db2.gz DRNHANYNFTZGLO-GOSISDBHSA-N 1 1 450.048 4.684 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1ccc3ncnc(Cl)c3c1)CC2 ZINC001164790149 721457396 /nfs/dbraw/zinc/45/73/96/721457396.db2.gz XBFPOPKSTPCBFH-FQEVSTJZSA-N 1 1 495.014 4.562 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1ccc3ncnc(Cl)c3c1)CC2 ZINC001164790154 721457414 /nfs/dbraw/zinc/45/74/14/721457414.db2.gz XBFPOPKSTPCBFH-HXUWFJFHSA-N 1 1 495.014 4.562 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3nc(Cl)cnc3cc1Cl)CC2 ZINC001164783719 721457928 /nfs/dbraw/zinc/45/79/28/721457928.db2.gz GCMZOBIJKIVBGJ-GOSISDBHSA-N 1 1 479.452 4.671 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3ccccc3Cl)nn1)CC2 ZINC001164782842 721463164 /nfs/dbraw/zinc/46/31/64/721463164.db2.gz CYSDVLAIHCFHLA-OAQYLSRUSA-N 1 1 471.045 4.531 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Oc3ccc(SC)cc3)ncn1)CC2 ZINC001164789267 721464281 /nfs/dbraw/zinc/46/42/81/721464281.db2.gz WDJQFNDKLKNPNF-QFIPXVFZSA-N 1 1 498.693 4.725 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)nc(-c3ccc(F)cc3)n1)CC2 ZINC001164791743 721468324 /nfs/dbraw/zinc/46/83/24/721468324.db2.gz YIGQTVPMIPORLP-JOCHJYFZSA-N 1 1 489.035 4.670 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3cc(Cl)ncc3cc1OC)CC2 ZINC001164791175 721474479 /nfs/dbraw/zinc/47/44/79/721474479.db2.gz UYMGWSFMWOBSHU-JOCHJYFZSA-N 1 1 474.045 4.631 20 0 JJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H](NC(=O)NC)c4cc(C)ccc43)CC2)nc1 ZINC001164900940 721493041 /nfs/dbraw/zinc/49/30/41/721493041.db2.gz SPWSRZSYPKUZSK-LOSJGSFVSA-N 1 1 461.654 4.849 20 0 JJADMO CCOC(=O)c1ccc(C(F)(F)N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c(Cl)n1 ZINC001164796937 721499571 /nfs/dbraw/zinc/49/95/71/721499571.db2.gz ZQNBRXSLIPRDKT-UHFFFAOYSA-N 1 1 478.971 4.733 20 0 JJADMO COc1ccc(Cc2c(C)nc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)nc2C)cc1 ZINC001164794669 721503250 /nfs/dbraw/zinc/50/32/50/721503250.db2.gz CBIPXGZFKCMARN-UHFFFAOYSA-N 1 1 471.649 4.969 20 0 JJADMO COc1ccc(-c2nc3ccc(F)cc3c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)n2)cc1 ZINC001164808359 721541618 /nfs/dbraw/zinc/54/16/18/721541618.db2.gz RPVSARCKAMMSMQ-PVHODMMVSA-N 1 1 499.590 4.708 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ccc(Cl)nc3c2)[C@H]2CCCO[C@H]12 ZINC001164799878 721548571 /nfs/dbraw/zinc/54/85/71/721548571.db2.gz BNMDECYWEBAIRB-XJUOHMSHSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ccc(Cl)nc3c2)[C@H]2CCCO[C@H]12 ZINC001164799878 721548578 /nfs/dbraw/zinc/54/85/78/721548578.db2.gz BNMDECYWEBAIRB-XJUOHMSHSA-N 1 1 458.940 4.696 20 0 JJADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164809388 721566765 /nfs/dbraw/zinc/56/67/65/721566765.db2.gz WVCZUNBXPIKQJJ-YDIMBITNSA-N 1 1 473.404 4.813 20 0 JJADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164809388 721566771 /nfs/dbraw/zinc/56/67/71/721566771.db2.gz WVCZUNBXPIKQJJ-YDIMBITNSA-N 1 1 473.404 4.813 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc3ccccc3nc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164805681 721567152 /nfs/dbraw/zinc/56/71/52/721567152.db2.gz OKQIAZAAMOXMGE-VSKRKVRLSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc3ccccc3nc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164805681 721567154 /nfs/dbraw/zinc/56/71/54/721567154.db2.gz OKQIAZAAMOXMGE-VSKRKVRLSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)c(Cl)nc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164807997 721575218 /nfs/dbraw/zinc/57/52/18/721575218.db2.gz UHCFIKHUQCSBSH-ZACQAIPSSA-N 1 1 477.770 4.850 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)c(Cl)nc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164807997 721575221 /nfs/dbraw/zinc/57/52/21/721575221.db2.gz UHCFIKHUQCSBSH-ZACQAIPSSA-N 1 1 477.770 4.850 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4ccc(F)cc4)c32)[C@@H]2CCCO[C@H]12 ZINC001164800309 721576093 /nfs/dbraw/zinc/57/60/93/721576093.db2.gz DTFNPFVSJZSHIH-AKFKNWHVSA-N 1 1 475.593 4.761 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4ccc(F)cc4)c32)[C@@H]2CCCO[C@H]12 ZINC001164800309 721576095 /nfs/dbraw/zinc/57/60/95/721576095.db2.gz DTFNPFVSJZSHIH-AKFKNWHVSA-N 1 1 475.593 4.761 20 0 JJADMO Cc1ccc(-c2nnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c3ccccc32)cc1 ZINC001164798626 721576207 /nfs/dbraw/zinc/57/62/07/721576207.db2.gz BPMJGOWCRDGYFI-UNCTUWKVSA-N 1 1 465.601 4.868 20 0 JJADMO Cc1ccc(-c2nnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c3ccccc32)cc1 ZINC001164798626 721576212 /nfs/dbraw/zinc/57/62/12/721576212.db2.gz BPMJGOWCRDGYFI-UNCTUWKVSA-N 1 1 465.601 4.868 20 0 JJADMO Cc1nc2scc(-c3cccs3)c2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164812297 721578393 /nfs/dbraw/zinc/57/83/93/721578393.db2.gz ZYPZHFDUFJUYMC-SXWKCWPCSA-N 1 1 477.659 4.991 20 0 JJADMO Cc1nc2scc(-c3cccs3)c2c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164812297 721578397 /nfs/dbraw/zinc/57/83/97/721578397.db2.gz ZYPZHFDUFJUYMC-SXWKCWPCSA-N 1 1 477.659 4.991 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3cnn(CC4CCOCC4)c3[C@@H]2COCC)nc1 ZINC001164902191 721578831 /nfs/dbraw/zinc/57/88/31/721578831.db2.gz CHIVIIRJFHJNFE-FTJBHMTQSA-N 1 1 481.685 4.782 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3cccc4ccccc43)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164804337 721584461 /nfs/dbraw/zinc/58/44/61/721584461.db2.gz JMUPEPWWLAJXRL-STROYTFGSA-N 1 1 451.574 4.560 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3cccc4ccccc43)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164804337 721584462 /nfs/dbraw/zinc/58/44/62/721584462.db2.gz JMUPEPWWLAJXRL-STROYTFGSA-N 1 1 451.574 4.560 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3c(ccnc3Cl)c2)[C@H]2CCCO[C@@H]12 ZINC001164808225 721584853 /nfs/dbraw/zinc/58/48/53/721584853.db2.gz QBYVVEGGOICOAJ-BHDDXSALSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3c(ccnc3Cl)c2)[C@H]2CCCO[C@@H]12 ZINC001164808225 721584855 /nfs/dbraw/zinc/58/48/55/721584855.db2.gz QBYVVEGGOICOAJ-BHDDXSALSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccc(Cl)cc2)[C@H]2CCCO[C@H]12 ZINC001164806260 721589637 /nfs/dbraw/zinc/58/96/37/721589637.db2.gz MPVHZIQOQZMZFN-NNWRFLSQSA-N 1 1 486.403 4.839 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccc(Cl)cc2)[C@H]2CCCO[C@H]12 ZINC001164806260 721589638 /nfs/dbraw/zinc/58/96/38/721589638.db2.gz MPVHZIQOQZMZFN-NNWRFLSQSA-N 1 1 486.403 4.839 20 0 JJADMO CCc1cccc(Oc2nc(Cl)ncc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1 ZINC001164810835 721589759 /nfs/dbraw/zinc/58/97/59/721589759.db2.gz WIRWEWRHHMCWKG-YFNKSVMNSA-N 1 1 480.012 4.748 20 0 JJADMO CCc1cccc(Oc2nc(Cl)ncc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1 ZINC001164810835 721589760 /nfs/dbraw/zinc/58/97/60/721589760.db2.gz WIRWEWRHHMCWKG-YFNKSVMNSA-N 1 1 480.012 4.748 20 0 JJADMO CCc1ccccc1Oc1nc(Cl)ncc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164801638 721589946 /nfs/dbraw/zinc/58/99/46/721589946.db2.gz FDYKQUMPJNSXLR-ODGPQVTHSA-N 1 1 480.012 4.748 20 0 JJADMO CCc1ccccc1Oc1nc(Cl)ncc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164801638 721589948 /nfs/dbraw/zinc/58/99/48/721589948.db2.gz FDYKQUMPJNSXLR-ODGPQVTHSA-N 1 1 480.012 4.748 20 0 JJADMO Cc1ccc(-c2cc(C(F)(F)N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c(Cl)nn2)cc1 ZINC001164804107 721591704 /nfs/dbraw/zinc/59/17/04/721591704.db2.gz IPODWJIAGAFIIV-KMDXXIMOSA-N 1 1 499.993 4.914 20 0 JJADMO Cc1ccc(-c2cc(C(F)(F)N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c(Cl)nn2)cc1 ZINC001164804107 721591706 /nfs/dbraw/zinc/59/17/06/721591706.db2.gz IPODWJIAGAFIIV-KMDXXIMOSA-N 1 1 499.993 4.914 20 0 JJADMO Cc1cccc(-c2cc(C(F)(F)N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c(Cl)nn2)c1 ZINC001164800896 721591735 /nfs/dbraw/zinc/59/17/35/721591735.db2.gz DAKGZPXKIHQVDA-TZRRMPRUSA-N 1 1 499.993 4.914 20 0 JJADMO Cc1cccc(-c2cc(C(F)(F)N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c(Cl)nn2)c1 ZINC001164800896 721591736 /nfs/dbraw/zinc/59/17/36/721591736.db2.gz DAKGZPXKIHQVDA-TZRRMPRUSA-N 1 1 499.993 4.914 20 0 JJADMO Cc1cccc(-c2cc(C(F)(F)N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c(Cl)nn2)c1 ZINC001164800891 721591793 /nfs/dbraw/zinc/59/17/93/721591793.db2.gz DAKGZPXKIHQVDA-SGNDLWITSA-N 1 1 499.993 4.914 20 0 JJADMO Cc1cccc(-c2cc(C(F)(F)N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c(Cl)nn2)c1 ZINC001164800891 721591796 /nfs/dbraw/zinc/59/17/96/721591796.db2.gz DAKGZPXKIHQVDA-SGNDLWITSA-N 1 1 499.993 4.914 20 0 JJADMO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908493 721693005 /nfs/dbraw/zinc/69/30/05/721693005.db2.gz ZLQQFYBICZJDCY-OAQYLSRUSA-N 1 1 479.909 4.961 20 0 JJADMO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907474 721700703 /nfs/dbraw/zinc/70/07/03/721700703.db2.gz UCHREAVVDKGPPO-OAQYLSRUSA-N 1 1 479.909 4.961 20 0 JJADMO CCOC(=O)c1cc2ccccc2nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906774 721713858 /nfs/dbraw/zinc/71/38/58/721713858.db2.gz OAHMKWOWKQTIIM-VWLOTQADSA-N 1 1 466.532 4.544 20 0 JJADMO FC1(F)CCN(c2nc(-c3cccnc3)nc3ccccc32)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906895 721723580 /nfs/dbraw/zinc/72/35/80/721723580.db2.gz OXBPFEAFURELRL-AREMUKBSSA-N 1 1 472.543 4.825 20 0 JJADMO FC1(F)CCN(c2ncnc3c(-c4ccccc4)nsc32)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164912909 721725097 /nfs/dbraw/zinc/72/50/97/721725097.db2.gz QZOHBHKIRITOGM-XMMPIXPASA-N 1 1 478.572 4.886 20 0 JJADMO FC1(F)CCN(c2ncnc3c(-c4ccccc4)nsc32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164912906 721726094 /nfs/dbraw/zinc/72/60/94/721726094.db2.gz QZOHBHKIRITOGM-DEOSSOPVSA-N 1 1 478.572 4.886 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@]4(CCCN4C(=O)C(C)C)C3)c2c1C ZINC001165007627 721726782 /nfs/dbraw/zinc/72/67/82/721726782.db2.gz FVPGPSSRPCIRNM-VWLOTQADSA-N 1 1 455.672 4.521 20 0 JJADMO COc1ccc(Oc2cc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc(C)n2)cc1 ZINC001164913384 721732830 /nfs/dbraw/zinc/73/28/30/721732830.db2.gz UWTQYULBHYYTLC-VWLOTQADSA-N 1 1 481.547 4.719 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(Cl)nc(-c3ccccn3)n1)C2 ZINC001164911343 721762647 /nfs/dbraw/zinc/76/26/47/721762647.db2.gz OJOLCHFSUCMIHZ-UHFFFAOYSA-N 1 1 496.949 4.920 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(Cl)nc(-c3ccccn3)n1)C2 ZINC001164911343 721762652 /nfs/dbraw/zinc/76/26/52/721762652.db2.gz OJOLCHFSUCMIHZ-UHFFFAOYSA-N 1 1 496.949 4.920 20 0 JJADMO CCOc1ccc(-c2ccc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nn2)cc1 ZINC001164909625 721762974 /nfs/dbraw/zinc/76/29/74/721762974.db2.gz DCUXCRAETXPMDF-UHFFFAOYSA-N 1 1 455.562 4.725 20 0 JJADMO CCOc1ccc(-c2ccc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nn2)cc1 ZINC001164909625 721762977 /nfs/dbraw/zinc/76/29/77/721762977.db2.gz DCUXCRAETXPMDF-UHFFFAOYSA-N 1 1 455.562 4.725 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cncc(OCc3cccc(Cl)c3)n1)C2 ZINC001164912296 721764587 /nfs/dbraw/zinc/76/45/87/721764587.db2.gz XSUGJHSFTBHRIJ-UHFFFAOYSA-N 1 1 475.980 4.892 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cncc(OCc3cccc(Cl)c3)n1)C2 ZINC001164912296 721764592 /nfs/dbraw/zinc/76/45/92/721764592.db2.gz XSUGJHSFTBHRIJ-UHFFFAOYSA-N 1 1 475.980 4.892 20 0 JJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@H]32)n1 ZINC001165018202 721772812 /nfs/dbraw/zinc/77/28/12/721772812.db2.gz UIIKPKZWMZPPNY-TZIWHRDSSA-N 1 1 487.629 4.754 20 0 JJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@]3(CCN(c4cnccn4)C3)C2)nc1 ZINC001164914718 721803407 /nfs/dbraw/zinc/80/34/07/721803407.db2.gz FALIAIAXUYYIEJ-XUZZJYLKSA-N 1 1 456.585 4.551 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3ccc4ncc(Cl)nc4c3)C[C@H]21 ZINC001165018817 721805321 /nfs/dbraw/zinc/80/53/21/721805321.db2.gz CKBXYFVIUIHVAN-DKZVUGQWSA-N 1 1 457.956 4.960 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCO[C@@H]4[C@@H](COCc5nccs5)CC[C@@H]43)c2c1C ZINC001164916290 721810726 /nfs/dbraw/zinc/81/07/26/721810726.db2.gz GKNYBWMOMJOTJD-SELNLUPBSA-N 1 1 499.706 4.561 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3ccn4Cc3cccc(F)c3)C[C@H]21 ZINC001165022581 721814314 /nfs/dbraw/zinc/81/43/14/721814314.db2.gz FZCFNUBTIOAEFG-RMUDUWAUSA-N 1 1 470.596 4.751 20 0 JJADMO CCOC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(Cl)n1 ZINC001165026297 721821892 /nfs/dbraw/zinc/82/18/92/721821892.db2.gz OQJYEBNRMIHPMZ-YRISNDGFSA-N 1 1 478.971 4.589 20 0 JJADMO COC(=O)c1ccc(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nc2C)cc1 ZINC001165030534 721822100 /nfs/dbraw/zinc/82/21/00/721822100.db2.gz ZRNMBAMAHNARFF-HUROMRQRSA-N 1 1 470.617 4.976 20 0 JJADMO COC(=O)c1ccc(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nc2C)cc1 ZINC001165030536 721822195 /nfs/dbraw/zinc/82/21/95/721822195.db2.gz ZRNMBAMAHNARFF-MSLLRLGPSA-N 1 1 470.617 4.976 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(-c4cccnc4)nc4ccccc43)C[C@H]21 ZINC001165023994 721823535 /nfs/dbraw/zinc/82/35/35/721823535.db2.gz JGAJPOCHWSYAHH-BBVWWWHTSA-N 1 1 450.590 4.824 20 0 JJADMO Cc1ccc(-c2nc3c(ncnc3N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)o2)cc1 ZINC001165023178 721824958 /nfs/dbraw/zinc/82/49/58/721824958.db2.gz IGRTVSWSVYDKLS-ACIOBRDBSA-N 1 1 454.578 4.725 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C(=O)OCc4ccccc4)cn3)C[C@H]21 ZINC001165019835 721825978 /nfs/dbraw/zinc/82/59/78/721825978.db2.gz CGDJNRRBXWUJSK-SKBVVQJISA-N 1 1 456.590 4.571 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(-c4nc(-c5cccs5)no4)ccn3)C[C@@H]21 ZINC001165030136 721827397 /nfs/dbraw/zinc/82/73/97/721827397.db2.gz XXIUMJTWFAROEX-ILWGZMRPSA-N 1 1 472.618 4.992 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(-c4ccncc4)nc4sccc43)C[C@@H]21 ZINC001165027080 721828734 /nfs/dbraw/zinc/82/87/34/721828734.db2.gz RUGCMWYNVGFDJB-AJSBUHFISA-N 1 1 456.619 4.885 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(-c4ccncc4)nc4sccc43)C[C@@H]21 ZINC001165027082 721829004 /nfs/dbraw/zinc/82/90/04/721829004.db2.gz RUGCMWYNVGFDJB-WTIAFYNJSA-N 1 1 456.619 4.885 20 0 JJADMO COc1ccc(Cc2c(C)nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nc2C)cc1 ZINC001165022329 721829579 /nfs/dbraw/zinc/82/95/79/721829579.db2.gz GXMRIUJCSRHGFF-LBNPDIFZSA-N 1 1 471.649 4.825 20 0 JJADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2ccc3c(Cl)ncnc3c2)CC1 ZINC001165019332 721838991 /nfs/dbraw/zinc/83/89/91/721838991.db2.gz DKUBSRQMGIWARP-UHFFFAOYSA-N 1 1 476.955 4.946 20 0 JJADMO CCOC(=O)c1ccc(C(F)(F)N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c(Cl)n1 ZINC001165020350 721843023 /nfs/dbraw/zinc/84/30/23/721843023.db2.gz CRCRWGKEBJVSEF-UHFFFAOYSA-N 1 1 497.970 4.575 20 0 JJADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2cc3cc[nH]c3c(Cl)n2)CC1 ZINC001165020434 721843173 /nfs/dbraw/zinc/84/31/73/721843173.db2.gz DNPNWDNHRDOTLD-UHFFFAOYSA-N 1 1 464.944 4.879 20 0 JJADMO Cc1sc2nc(-c3ccccn3)nc(N3CC[C@H]4[C@H]3CC[N@@H+]4CCN(C)C)c2c1-c1ccccc1 ZINC001164934670 721880021 /nfs/dbraw/zinc/88/00/21/721880021.db2.gz SVZOLCMGDNUVAD-XZOQPEGZSA-N 1 1 484.673 4.943 20 0 JJADMO Cc1sc2nc(-c3ccccn3)nc(N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)c2c1-c1ccccc1 ZINC001164934670 721880024 /nfs/dbraw/zinc/88/00/24/721880024.db2.gz SVZOLCMGDNUVAD-XZOQPEGZSA-N 1 1 484.673 4.943 20 0 JJADMO CN1C(=O)CC[C@H]2[C@H]1CCN2c1nc(C[NH+]2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001164932838 721893465 /nfs/dbraw/zinc/89/34/65/721893465.db2.gz JAXVCKWEAYKKEH-RTWAWAEBSA-N 1 1 461.635 4.544 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4nc(-c5ccc(Cl)nc5)no4)CC3)C2)cc1 ZINC001164938646 721932723 /nfs/dbraw/zinc/93/27/23/721932723.db2.gz CISSMGBMLGVMRU-UHFFFAOYSA-N 1 1 489.954 4.510 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccnc(CSc5ccccc5)n4)CC3)C2)cc1 ZINC001164942325 721933287 /nfs/dbraw/zinc/93/32/87/721933287.db2.gz LLRSDQDLRQELQR-UHFFFAOYSA-N 1 1 460.647 4.949 20 0 JJADMO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001165045088 721940195 /nfs/dbraw/zinc/94/01/95/721940195.db2.gz SCANHRYIDBVAJA-UHFFFAOYSA-N 1 1 477.302 4.858 20 0 JJADMO C[NH+]1CCC(Oc2ccnc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)c2)CC1 ZINC001165049911 721979823 /nfs/dbraw/zinc/97/98/23/721979823.db2.gz OCAZETVMYAMFOX-UHFFFAOYSA-N 1 1 451.489 4.501 20 0 JJADMO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955879 722022281 /nfs/dbraw/zinc/02/22/81/722022281.db2.gz QOGYEVRQSPEQID-UHFFFAOYSA-N 1 1 459.928 4.822 20 0 JJADMO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955836 722022818 /nfs/dbraw/zinc/02/28/18/722022818.db2.gz OONXPFQTAPALCA-UHFFFAOYSA-N 1 1 470.955 4.624 20 0 JJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)nc1 ZINC001164963725 722038701 /nfs/dbraw/zinc/03/87/01/722038701.db2.gz RRFOFNGJYTVEOV-NAOVZJOWSA-N 1 1 466.695 4.901 20 0 JJADMO Cc1ccc(N2C[C@@]3(CCN(c4nc(C[NH+]5CCCC5)nc5sc(C)c(C)c54)C3)CC2=O)s1 ZINC001164963545 722044334 /nfs/dbraw/zinc/04/43/34/722044334.db2.gz RWHFPCMGAPFEDE-VWLOTQADSA-N 1 1 481.691 4.907 20 0 JJADMO FC(F)(c1ccc2ccc(Cl)nc2c1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963792 722055300 /nfs/dbraw/zinc/05/53/00/722055300.db2.gz KZZMXKSOJJCORO-UHFFFAOYSA-N 1 1 472.967 4.947 20 0 JJADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963278 722059320 /nfs/dbraw/zinc/05/93/20/722059320.db2.gz VHBXEIOLXBKSDS-UHFFFAOYSA-N 1 1 495.023 4.579 20 0 JJADMO Cc1nc(-c2ccccc2)nc(Cl)c1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963335 722060502 /nfs/dbraw/zinc/06/05/02/722060502.db2.gz WVGVXOJQTWAUJZ-UHFFFAOYSA-N 1 1 464.013 4.619 20 0 JJADMO Cc1cncc(COCc2cnc3n2CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)[C@H]3C)c1 ZINC001164966154 722063154 /nfs/dbraw/zinc/06/31/54/722063154.db2.gz OVLFTEXWKAVANQ-IBGZPJMESA-N 1 1 467.017 4.529 20 0 JJADMO c1sc2nc(CN3CCCCC3)nc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c2c1-c1ccccc1 ZINC001164967219 722075196 /nfs/dbraw/zinc/07/51/96/722075196.db2.gz OFNMIHRPEJBKFY-ZRZAMGCNSA-N 1 1 489.689 4.644 20 0 JJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3CC(C(=O)NC4CCC4)C[C@@H]3C2)n1 ZINC001164977643 722085992 /nfs/dbraw/zinc/08/59/92/722085992.db2.gz XKGWPACTGWVQMA-WOJBJXKFSA-N 1 1 475.662 4.551 20 0 JJADMO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984712 722106699 /nfs/dbraw/zinc/10/66/99/722106699.db2.gz UDGMJYSBFYJBHA-OXQOHEQNSA-N 1 1 494.373 4.604 20 0 JJADMO Clc1nc(Cl)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1Cl ZINC001164979208 722108193 /nfs/dbraw/zinc/10/81/93/722108193.db2.gz PNNUDXAVSNBRKQ-ZIAGYGMSSA-N 1 1 462.208 4.818 20 0 JJADMO c1ccc(-c2cc(-c3ccccc3)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164971371 722108299 /nfs/dbraw/zinc/10/82/99/722108299.db2.gz BMKOARPYFJUVBA-LITSAYRRSA-N 1 1 477.612 4.933 20 0 JJADMO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977435 722111544 /nfs/dbraw/zinc/11/15/44/722111544.db2.gz NBOCDJWJWYICLB-SIKLNZKXSA-N 1 1 458.940 4.555 20 0 JJADMO Cc1ccc(-c2csc3ncnc(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@H]5C4)c23)cc1 ZINC001164979131 722111625 /nfs/dbraw/zinc/11/16/25/722111625.db2.gz PDNFUZFKYFRJMQ-UPVQGACJSA-N 1 1 471.630 4.789 20 0 JJADMO c1ccc(-c2ncc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2-c2ccccc2)cc1 ZINC001164975712 722114600 /nfs/dbraw/zinc/11/46/00/722114600.db2.gz KLRYTBCMXMJADN-KAYWLYCHSA-N 1 1 477.612 4.933 20 0 JJADMO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981481 722122256 /nfs/dbraw/zinc/12/22/56/722122256.db2.gz UFNUOLKORDNEOJ-OXJNMPFZSA-N 1 1 494.373 4.604 20 0 JJADMO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976330 722123620 /nfs/dbraw/zinc/12/36/20/722123620.db2.gz LEVIVFSOEHRJBM-QFBILLFUSA-N 1 1 494.373 4.604 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c3ccccc32)cc1 ZINC001164972608 722138632 /nfs/dbraw/zinc/13/86/32/722138632.db2.gz AEOWXQCTLXMBBC-SQHAQQRYSA-N 1 1 465.601 4.728 20 0 JJADMO Fc1ccc(-c2nnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c3ccccc32)cc1 ZINC001164982798 722141967 /nfs/dbraw/zinc/14/19/67/722141967.db2.gz SRWHFFAWBRVICC-NVQXNPDNSA-N 1 1 469.564 4.558 20 0 JJADMO Cc1nc(-c2ccccc2Cl)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C ZINC001164980921 722148734 /nfs/dbraw/zinc/14/87/34/722148734.db2.gz NTQXWRVMVLDZLT-ZJSXRUAMSA-N 1 1 464.013 4.536 20 0 JJADMO Fc1ccc(-c2nc(Cl)cc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1Cl ZINC001164972156 722152972 /nfs/dbraw/zinc/15/29/72/722152972.db2.gz GAPOIMGERAVSBL-WIYYLYMNSA-N 1 1 488.394 4.712 20 0 JJADMO CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164973005 722155236 /nfs/dbraw/zinc/15/52/36/722155236.db2.gz JRXNCSQAYWFLEC-XUZZJYLKSA-N 1 1 480.012 4.607 20 0 JJADMO Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c(Cl)nn2)c1 ZINC001164972469 722158144 /nfs/dbraw/zinc/15/81/44/722158144.db2.gz HXNYTNOBIHAFRX-ZJSXRUAMSA-N 1 1 499.993 4.773 20 0 JJADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3C[C@@H]4[C@@H](OCC5CC5)c5ccccc5[C@H]4C3)C2)cc1 ZINC001164980475 722170582 /nfs/dbraw/zinc/17/05/82/722170582.db2.gz YIYFPBZRWUPMLE-PBWSGDRGSA-N 1 1 452.602 4.736 20 0 JJADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3C[C@@H]4[C@@H](OCC5CC5)c5ccccc5[C@H]4C3)C2)cc1 ZINC001164980475 722170585 /nfs/dbraw/zinc/17/05/85/722170585.db2.gz YIYFPBZRWUPMLE-PBWSGDRGSA-N 1 1 452.602 4.736 20 0 JJADMO CCN(CC)c1ccnc([C@H]2COCCN2c2nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c32)n1 ZINC001164998867 722227197 /nfs/dbraw/zinc/22/71/97/722227197.db2.gz FWGRLUWLBKMJOI-HXUWFJFHSA-N 1 1 495.697 4.508 20 0 JJADMO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC001545850851 1064261771 /nfs/dbraw/zinc/26/17/71/1064261771.db2.gz SAXUWBMZFTZMMJ-BWKNWUBXSA-N 1 1 450.966 4.745 20 0 JJADMO CC(C)c1nnc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001359715738 1064264264 /nfs/dbraw/zinc/26/42/64/1064264264.db2.gz KLIAJKCTTYGZFW-AUSIDOKSSA-N 1 1 474.644 4.683 20 0 JJADMO CC(C)c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001359716212 1064264672 /nfs/dbraw/zinc/26/46/72/1064264672.db2.gz ZCEVZYDBRBHKHL-HOYKHHGWSA-N 1 1 474.074 4.907 20 0 JJADMO CC(C)c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1Cc1cccc(C(C)(C)O)c1 ZINC001359716105 1064264727 /nfs/dbraw/zinc/26/47/27/1064264727.db2.gz VVACPXOEOZFDTD-LJQANCHMSA-N 1 1 453.656 4.622 20 0 JJADMO CC(C)c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001359716214 1064265142 /nfs/dbraw/zinc/26/51/42/1064265142.db2.gz ZCEVZYDBRBHKHL-MHECFPHRSA-N 1 1 474.074 4.907 20 0 JJADMO CC(C)c1nnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001359716545 1064265178 /nfs/dbraw/zinc/26/51/78/1064265178.db2.gz KXLXRWRWAMYQCF-UHFFFAOYSA-N 1 1 478.607 4.869 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC=C(C(C)(C)C)CC2)n1C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001545858951 1064267130 /nfs/dbraw/zinc/26/71/30/1064267130.db2.gz AGGMZEKPZZTYSX-NRFANRHFSA-N 1 1 492.712 4.826 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001545862203 1064270232 /nfs/dbraw/zinc/27/02/32/1064270232.db2.gz CHFNKTSIZYNAML-LEWJYISDSA-N 1 1 460.711 4.581 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@](C)(CC)C2)n1C[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001545865406 1064272908 /nfs/dbraw/zinc/27/29/08/1064272908.db2.gz AKQJEYSWOBMCOV-CUBQBAPOSA-N 1 1 480.701 4.660 20 0 JJADMO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCc1ccnc(N2CCCCCC2)c1 ZINC001545865317 1064272952 /nfs/dbraw/zinc/27/29/52/1064272952.db2.gz XEJHRQIZSIMXCZ-JOCHJYFZSA-N 1 1 450.627 4.645 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)(CC)C2)n1C[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001545865407 1064273262 /nfs/dbraw/zinc/27/32/62/1064273262.db2.gz AKQJEYSWOBMCOV-RBJSKKJNSA-N 1 1 480.701 4.660 20 0 JJADMO CC(C)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001359726959 1064273602 /nfs/dbraw/zinc/27/36/02/1064273602.db2.gz BNNCSXMQNOOYAE-SBHAEUEKSA-N 1 1 488.702 4.650 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(C)(C)CC2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001545865530 1064273707 /nfs/dbraw/zinc/27/37/07/1064273707.db2.gz DXIJUQPQWZUJFS-JOCHJYFZSA-N 1 1 458.695 4.620 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccco3)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545870218 1064282622 /nfs/dbraw/zinc/28/26/22/1064282622.db2.gz IXHYMZVWAOIYJJ-HBMCJLEFSA-N 1 1 484.689 4.540 20 0 JJADMO CC(C)[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(C)C)C1)[NH+]1CCOCC1 ZINC001359731945 1064285596 /nfs/dbraw/zinc/28/55/96/1064285596.db2.gz VMKAHLRLBYQMQA-LADGPHEKSA-N 1 1 474.093 4.752 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccc(F)cc3)C2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001545870840 1064285840 /nfs/dbraw/zinc/28/58/40/1064285840.db2.gz XZBJFWYZGSOQRA-URXFXBBRSA-N 1 1 484.664 4.594 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccc(F)cc3)C2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001545870842 1064285956 /nfs/dbraw/zinc/28/59/56/1064285956.db2.gz XZBJFWYZGSOQRA-ZJSXRUAMSA-N 1 1 484.664 4.594 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](Cc3ccccc3)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001545874148 1064289864 /nfs/dbraw/zinc/28/98/64/1064289864.db2.gz JUFYASUJXRVGMI-LADGPHEKSA-N 1 1 494.728 4.776 20 0 JJADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001545879703 1064294880 /nfs/dbraw/zinc/29/48/80/1064294880.db2.gz DKBXDXYQIBGGKN-UNMCSNQZSA-N 1 1 451.394 4.636 20 0 JJADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)CS[C@@H](C)c1nc2ccccc2[nH]1 ZINC001545880140 1064295478 /nfs/dbraw/zinc/29/54/78/1064295478.db2.gz RGYPCRYWPDMKMK-AZUAARDMSA-N 1 1 452.624 4.576 20 0 JJADMO CC(C)[C@H]1CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC[N@@H+](C)C(C)C ZINC001359737621 1064299595 /nfs/dbraw/zinc/29/95/95/1064299595.db2.gz BVWWERPXDNXPLJ-RTWAWAEBSA-N 1 1 462.683 4.705 20 0 JJADMO CC(C)[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001359738800 1064303695 /nfs/dbraw/zinc/30/36/95/1064303695.db2.gz DDJZAFYGKUDWPR-DLBZAZTESA-N 1 1 496.881 4.564 20 0 JJADMO CC(C)[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001359738800 1064303710 /nfs/dbraw/zinc/30/37/10/1064303710.db2.gz DDJZAFYGKUDWPR-DLBZAZTESA-N 1 1 496.881 4.564 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCc3c(Cl)cccc3C2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001545886626 1064303758 /nfs/dbraw/zinc/30/37/58/1064303758.db2.gz GYWDZZGPWAAHHU-MOPGFXCFSA-N 1 1 487.092 4.533 20 0 JJADMO CCn1ncc(Cl)c1C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC001434872951 1064308554 /nfs/dbraw/zinc/30/85/54/1064308554.db2.gz GRCCYHXLVNFHAV-UHFFFAOYSA-N 1 1 458.393 4.784 20 0 JJADMO CC(C)[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001359742656 1064311969 /nfs/dbraw/zinc/31/19/69/1064311969.db2.gz SHJDDTZPNMEITR-JOCHJYFZSA-N 1 1 488.721 4.749 20 0 JJADMO CCCN1CCN(c2ccc(NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)cc2Cl)CC1 ZINC001434880231 1064312428 /nfs/dbraw/zinc/31/24/28/1064312428.db2.gz DRKDWEKYUNBVEU-QFIPXVFZSA-N 1 1 455.046 4.723 20 0 JJADMO CCCN1CCN(c2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2Cl)CC1 ZINC001434880231 1064312443 /nfs/dbraw/zinc/31/24/43/1064312443.db2.gz DRKDWEKYUNBVEU-QFIPXVFZSA-N 1 1 455.046 4.723 20 0 JJADMO Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001434880360 1064312855 /nfs/dbraw/zinc/31/28/55/1064312855.db2.gz CBBSMMPXFUXMRL-KNQAVFIVSA-N 1 1 451.014 4.945 20 0 JJADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3NC(=O)OC(C)(C)C)C1 ZINC001434880334 1064312934 /nfs/dbraw/zinc/31/29/34/1064312934.db2.gz BBGZRJBPBFTGBJ-IBIODZIOSA-N 1 1 455.643 4.658 20 0 JJADMO CC(C)[C@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001359744307 1064315677 /nfs/dbraw/zinc/31/56/77/1064315677.db2.gz DLKIMQXSNBXHPK-ROUUACIJSA-N 1 1 476.463 4.585 20 0 JJADMO CC(C)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001359744787 1064317213 /nfs/dbraw/zinc/31/72/13/1064317213.db2.gz SBHCVUJOUJLPII-QHCPKHFHSA-N 1 1 453.675 4.892 20 0 JJADMO CC(C)[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C(C)C)C1)[NH+]1CCOCC1 ZINC001359746078 1064321985 /nfs/dbraw/zinc/32/19/85/1064321985.db2.gz YHESRZZCIOXFGX-JYFHCDHNSA-N 1 1 497.728 4.994 20 0 JJADMO CC(C)[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCC[N@H+]2CCCC[C@H]2C)CCO1 ZINC001359753913 1064343605 /nfs/dbraw/zinc/34/36/05/1064343605.db2.gz UOALOUVYHXIFLB-QPPBQGQZSA-N 1 1 457.638 4.524 20 0 JJADMO CC(C)[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC[N@@H+](C)C2CCCCC2)CCS1 ZINC001359755446 1064348654 /nfs/dbraw/zinc/34/86/54/1064348654.db2.gz AGXOMINFHYQKRR-QHCPKHFHSA-N 1 1 475.678 4.839 20 0 JJADMO CCCCCC(=O)NC1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1 ZINC001434924362 1064352826 /nfs/dbraw/zinc/35/28/26/1064352826.db2.gz KJLLCWQWXYDOEN-IZZNHLLZSA-N 1 1 453.671 4.612 20 0 JJADMO CCCN(C(=O)c1ccc(NC(=O)N(C)C)cc1Cl)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001434974645 1064389768 /nfs/dbraw/zinc/38/97/68/1064389768.db2.gz GOWMNBMMKPJZBR-NRFANRHFSA-N 1 1 457.018 4.950 20 0 JJADMO CC(C)C[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2CCCC[C@@H]2C1)[NH+](C)C ZINC001359766838 1064394543 /nfs/dbraw/zinc/39/45/43/1064394543.db2.gz VOKXXXPIIBWYBX-WOJBJXKFSA-N 1 1 479.500 4.903 20 0 JJADMO CC(C)CC1(Cn2c(Cc3c(F)cccc3F)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001359773870 1064412903 /nfs/dbraw/zinc/41/29/03/1064412903.db2.gz BZPRRWAMADVVLC-BGYRXZFFSA-N 1 1 475.628 4.519 20 0 JJADMO CC(C)CC1(Cn2c(Cc3c(F)cccc3F)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001359773870 1064412908 /nfs/dbraw/zinc/41/29/08/1064412908.db2.gz BZPRRWAMADVVLC-BGYRXZFFSA-N 1 1 475.628 4.519 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CC1C[C@H](C)O[C@@H](C)C1 ZINC001359777406 1064421479 /nfs/dbraw/zinc/42/14/79/1064421479.db2.gz JGEUKUAQSLEVTP-WRALFONMSA-N 1 1 453.675 4.781 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1Cc1cccc(Br)n1 ZINC001359777376 1064421515 /nfs/dbraw/zinc/42/15/15/1064421515.db2.gz IREUAOTXQICNDO-QFIPXVFZSA-N 1 1 497.485 4.783 20 0 JJADMO CC(C)Cc1nnc(N(C)Cc2ccc(F)c(C(F)(F)F)c2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001359780152 1064428024 /nfs/dbraw/zinc/42/80/24/1064428024.db2.gz LYYLABRKGQDQKL-KRWDZBQOSA-N 1 1 464.511 4.730 20 0 JJADMO CC(C)Cc1nnc(N(C)Cc2ccc(F)c(C(F)(F)F)c2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359780202 1064428716 /nfs/dbraw/zinc/42/87/16/1064428716.db2.gz NLGYBRJQEGSHSH-HDICACEKSA-N 1 1 485.570 4.770 20 0 JJADMO CC(C)Cc1nnc(N(C)CCOc2ccccc2Cl)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359786102 1064439811 /nfs/dbraw/zinc/43/98/11/1064439811.db2.gz LIZZHNMBRARVDA-BGYRXZFFSA-N 1 1 478.081 4.533 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCc3ccc(Cl)cc3C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001545888281 1064448170 /nfs/dbraw/zinc/44/81/70/1064448170.db2.gz FWWXBCDGNNPSRL-IBGZPJMESA-N 1 1 487.092 4.533 20 0 JJADMO CC(C)Cc1nnc(N2Cc3cc(Br)ccc3[C@@H](C)C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001359793088 1064450932 /nfs/dbraw/zinc/45/09/32/1064450932.db2.gz RBNDIZOBYMIUPY-IRXDYDNUSA-N 1 1 460.464 4.846 20 0 JJADMO COC(=O)CSCc1cccc(NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001359795139 1064453754 /nfs/dbraw/zinc/45/37/54/1064453754.db2.gz HZINJMBKMUCDMA-IBGZPJMESA-N 1 1 456.608 4.598 20 0 JJADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)c3cc(Cl)c(F)cc3Cl)CC2)c1C ZINC001359795694 1064454577 /nfs/dbraw/zinc/45/45/77/1064454577.db2.gz NOGBXIBEPWHGOE-UHFFFAOYSA-N 1 1 454.373 4.890 20 0 JJADMO CC(C)Cc1nnc(N2CCC(C(=O)c3cccs3)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001359796969 1064457985 /nfs/dbraw/zinc/45/79/85/1064457985.db2.gz QNXQPBAMQIBIHG-OAQYLSRUSA-N 1 1 457.688 4.758 20 0 JJADMO COc1cc(Br)ccc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001435045499 1064461932 /nfs/dbraw/zinc/46/19/32/1064461932.db2.gz FDFAJHMVERZBKO-GOSISDBHSA-N 1 1 451.792 4.896 20 0 JJADMO COc1cc(Br)ccc1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001435045499 1064461942 /nfs/dbraw/zinc/46/19/42/1064461942.db2.gz FDFAJHMVERZBKO-GOSISDBHSA-N 1 1 451.792 4.896 20 0 JJADMO O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1cnc(Br)c(Cl)c1 ZINC001435047808 1064464572 /nfs/dbraw/zinc/46/45/72/1064464572.db2.gz TYKWWFSHEYBTRY-MRXNPFEDSA-N 1 1 457.199 4.935 20 0 JJADMO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1cnc(Br)c(Cl)c1 ZINC001435047808 1064464585 /nfs/dbraw/zinc/46/45/85/1064464585.db2.gz TYKWWFSHEYBTRY-MRXNPFEDSA-N 1 1 457.199 4.935 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1C[C@]1(O)CCCC1(C)C ZINC001359802095 1064469749 /nfs/dbraw/zinc/46/97/49/1064469749.db2.gz HUDAVUDNKLOCMT-AJTFRIOCSA-N 1 1 453.675 4.519 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1C[C@@]1(O)CCCC1(C)C ZINC001359802097 1064470629 /nfs/dbraw/zinc/47/06/29/1064470629.db2.gz HUDAVUDNKLOCMT-CUNXSJBXSA-N 1 1 453.675 4.519 20 0 JJADMO CC1CCN(C(=S)SCC(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC1 ZINC001435052987 1064471122 /nfs/dbraw/zinc/47/11/22/1064471122.db2.gz MNYHOHWARVDSOP-HXUWFJFHSA-N 1 1 454.105 4.561 20 0 JJADMO CC1CCN(C(=S)SCC(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1 ZINC001435052987 1064471125 /nfs/dbraw/zinc/47/11/25/1064471125.db2.gz MNYHOHWARVDSOP-HXUWFJFHSA-N 1 1 454.105 4.561 20 0 JJADMO CC(C)Cc1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001359808365 1064479674 /nfs/dbraw/zinc/47/96/74/1064479674.db2.gz NGKPCDRDPGFEII-GMAHTHKFSA-N 1 1 498.682 4.842 20 0 JJADMO CC(C)Cc1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1Cc1ccc(NC(=O)NC(C)C)cc1 ZINC001359808260 1064479874 /nfs/dbraw/zinc/47/98/74/1064479874.db2.gz LDRIPUBTZYXVCZ-UHFFFAOYSA-N 1 1 483.705 4.611 20 0 JJADMO Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC001435062439 1064480772 /nfs/dbraw/zinc/48/07/72/1064480772.db2.gz WZSGIDUDWMGUQK-VWLOTQADSA-N 1 1 459.615 4.781 20 0 JJADMO CC(C)Cc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@H](C)c1ccc(F)cc1 ZINC001359809264 1064482694 /nfs/dbraw/zinc/48/26/94/1064482694.db2.gz LFYHJXKFDXCDRC-FDFHNCONSA-N 1 1 471.665 4.745 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001359811575 1064487776 /nfs/dbraw/zinc/48/77/76/1064487776.db2.gz RTUWWFSEAXIMCK-DNQXCXABSA-N 1 1 498.716 4.737 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001359814595 1064492859 /nfs/dbraw/zinc/49/28/59/1064492859.db2.gz KRQCBFYBQBYLGE-WIYYLYMNSA-N 1 1 491.080 4.536 20 0 JJADMO CC(C)Cc1nnc(N2CCC(O)(Cc3ccc(F)cc3)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001359814803 1064493727 /nfs/dbraw/zinc/49/37/27/1064493727.db2.gz BCLGAZHRPAVIHY-HSZRJFAPSA-N 1 1 485.692 4.844 20 0 JJADMO CC(C)Cc1nnc(N2CCC(Oc3ccc(F)cc3F)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001359814844 1064493820 /nfs/dbraw/zinc/49/38/20/1064493820.db2.gz BZNKWRNCHDCYFE-FQEVSTJZSA-N 1 1 475.628 4.923 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@@H](OCc3ccccc3)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001359817376 1064499865 /nfs/dbraw/zinc/49/98/65/1064499865.db2.gz CCPGWOBVPDAMGT-LADGPHEKSA-N 1 1 453.675 4.783 20 0 JJADMO Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC001435091362 1064508830 /nfs/dbraw/zinc/50/88/30/1064508830.db2.gz RTYUYMZAVJGOQB-GOSISDBHSA-N 1 1 452.986 4.847 20 0 JJADMO C[C@H](CNC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl)[N@H+]1CCc2ccccc2C1 ZINC001359828460 1064510177 /nfs/dbraw/zinc/51/01/77/1064510177.db2.gz HUNRVNXAQQFBHP-QGZVFWFLSA-N 1 1 458.002 4.793 20 0 JJADMO O=C(N1CCc2ccc(Br)cc21)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001435104923 1064516215 /nfs/dbraw/zinc/51/62/15/1064516215.db2.gz FEFIOLHUDGEIFA-HXUWFJFHSA-N 1 1 453.302 4.793 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1C[C@@](C)(O)c1ccsc1 ZINC001359832825 1064517103 /nfs/dbraw/zinc/51/71/03/1064517103.db2.gz PCTRBTIDSWCMOF-DNRQZRRGSA-N 1 1 459.704 4.537 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001359832980 1064517158 /nfs/dbraw/zinc/51/71/58/1064517158.db2.gz RQFCALBJQLHYTG-FGZHOGPDSA-N 1 1 476.710 4.577 20 0 JJADMO C[S@](=O)c1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1F ZINC001435142236 1064542510 /nfs/dbraw/zinc/54/25/10/1064542510.db2.gz MSCXSFZUSGKSDB-DUSFWOOLSA-N 1 1 450.579 4.592 20 0 JJADMO CC(C)Cc1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359859591 1064547828 /nfs/dbraw/zinc/54/78/28/1064547828.db2.gz AJUPEXZOHZWREH-DSNGMDLFSA-N 1 1 480.745 4.944 20 0 JJADMO CC(C)Cc1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359859591 1064547840 /nfs/dbraw/zinc/54/78/40/1064547840.db2.gz AJUPEXZOHZWREH-DSNGMDLFSA-N 1 1 480.745 4.944 20 0 JJADMO CC(C)Cc1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CCNc1ncc(Cl)cc1Cl ZINC001359859587 1064548070 /nfs/dbraw/zinc/54/80/70/1064548070.db2.gz AHHHKIHIOJDCQO-UHFFFAOYSA-N 1 1 494.496 4.674 20 0 JJADMO CC(C)Cc1nnc(N2CCN(Cc3ccsc3)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359859757 1064548102 /nfs/dbraw/zinc/54/81/02/1064548102.db2.gz DKUILYDZERFCFF-SZPZYZBQSA-N 1 1 472.747 4.617 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@H](c3cccc(Br)c3)C2)n1CCC[N@@H+](C)C(C)C ZINC001359865944 1064556332 /nfs/dbraw/zinc/55/63/32/1064556332.db2.gz KYFSUGKLSIMHCL-NRFANRHFSA-N 1 1 478.479 4.547 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(Cl)c3)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001359866748 1064558540 /nfs/dbraw/zinc/55/85/40/1064558540.db2.gz YSKGBQNTZBVLRJ-HSZRJFAPSA-N 1 1 460.066 4.972 20 0 JJADMO C[C@H](CNC(=O)c1cccnc1Oc1ccc(Br)cc1)[N@@H+](C)Cc1ccccc1 ZINC001435166805 1064561996 /nfs/dbraw/zinc/56/19/96/1064561996.db2.gz SBKZNVCGPAQASG-QGZVFWFLSA-N 1 1 454.368 4.887 20 0 JJADMO CN(C(=O)c1ccc(NC(=O)c2ccccc2SC(F)(F)F)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001435188464 1064577696 /nfs/dbraw/zinc/57/76/96/1064577696.db2.gz KEYUTSIMIPTFIO-QGZVFWFLSA-N 1 1 451.514 4.717 20 0 JJADMO CN(C(=O)c1ccc(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001435188766 1064577984 /nfs/dbraw/zinc/57/79/84/1064577984.db2.gz NUMPJVLWQXLZOM-AOYPEHQESA-N 1 1 457.574 4.612 20 0 JJADMO CN(C(=O)c1ccc(NC(=O)CC2(CSc3ccccc3)CC2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC001435190229 1064579718 /nfs/dbraw/zinc/57/97/18/1064579718.db2.gz WAPNSZACGZNQQN-QFIPXVFZSA-N 1 1 451.636 4.754 20 0 JJADMO CC(C)C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001359885274 1064580092 /nfs/dbraw/zinc/58/00/92/1064580092.db2.gz YDZCAMOGMAMQRA-QFIPXVFZSA-N 1 1 486.705 4.527 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC001435198704 1064586291 /nfs/dbraw/zinc/58/62/91/1064586291.db2.gz OHUGDTPEWUOHIH-IFMALSPDSA-N 1 1 452.986 4.801 20 0 JJADMO COc1cc(Cl)c(Br)cc1C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001435204945 1064590891 /nfs/dbraw/zinc/59/08/91/1064590891.db2.gz BZBGGIMYWUTTTO-HNNXBMFYSA-N 1 1 451.792 4.848 20 0 JJADMO CC(C)CC[C@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001359894226 1064595115 /nfs/dbraw/zinc/59/51/15/1064595115.db2.gz MHTMIHJWIIVNQL-HOKHCIIBSA-N 1 1 475.703 4.652 20 0 JJADMO CC(C)CC[C@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001359895026 1064596735 /nfs/dbraw/zinc/59/67/35/1064596735.db2.gz WBCHVDDNTGDARA-SKVJQKLOSA-N 1 1 483.701 4.808 20 0 JJADMO CC(C)CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001359901754 1064611554 /nfs/dbraw/zinc/61/15/54/1064611554.db2.gz BXCFZUZFHDRIJB-UWJYYQICSA-N 1 1 466.457 4.845 20 0 JJADMO COc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OCc1ccc(Cl)cc1Cl ZINC001435253046 1064629164 /nfs/dbraw/zinc/62/91/64/1064629164.db2.gz ACSDUQZLCXIEPQ-MGPUTAFESA-N 1 1 451.394 4.993 20 0 JJADMO C[C@@H](NC(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435253587 1064630205 /nfs/dbraw/zinc/63/02/05/1064630205.db2.gz KYPKOVBXBGTWSF-OSPHWJPCSA-N 1 1 454.492 4.790 20 0 JJADMO C[C@@H](NC(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435253587 1064630210 /nfs/dbraw/zinc/63/02/10/1064630210.db2.gz KYPKOVBXBGTWSF-OSPHWJPCSA-N 1 1 454.492 4.790 20 0 JJADMO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1OCc1csc(Br)c1 ZINC001435254102 1064631033 /nfs/dbraw/zinc/63/10/33/1064631033.db2.gz GXYOCCGMLHHZGS-CRAIPNDOSA-N 1 1 451.430 4.810 20 0 JJADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1ccc2scc(Br)c2c1 ZINC001435254554 1064631645 /nfs/dbraw/zinc/63/16/45/1064631645.db2.gz SYMYJBCEQMWBTE-INIZCTEOSA-N 1 1 458.425 4.604 20 0 JJADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1cccnc1SCC1CCCCC1 ZINC001435255344 1064632540 /nfs/dbraw/zinc/63/25/40/1064632540.db2.gz WNSSTRLWQFWDBI-OAQYLSRUSA-N 1 1 452.668 4.695 20 0 JJADMO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001435259937 1064635990 /nfs/dbraw/zinc/63/59/90/1064635990.db2.gz FIKPCKBGJVJBRJ-FUPPJEDESA-N 1 1 457.640 4.588 20 0 JJADMO CC(C)CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H](C)[NH+]1CCOCC1 ZINC001359915093 1064636520 /nfs/dbraw/zinc/63/65/20/1064636520.db2.gz YWSALOYZSABKKJ-INIZCTEOSA-N 1 1 484.870 4.564 20 0 JJADMO C[N@H+]1CCC[C@@H](CNC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)[C@H]1c1cccs1 ZINC001435261631 1064637707 /nfs/dbraw/zinc/63/77/07/1064637707.db2.gz PLWYUOXGIZPQML-SEEQCCGUSA-N 1 1 459.700 4.893 20 0 JJADMO C[N@H+]1CCC[C@@H](CNC(=O)COc2ccc(Cl)cc2Br)[C@H]1c1cccs1 ZINC001435263291 1064639735 /nfs/dbraw/zinc/63/97/35/1064639735.db2.gz ZRLSTPOEVJIEIZ-DJJJIMSYSA-N 1 1 457.821 4.742 20 0 JJADMO CC(C)CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001359918591 1064641874 /nfs/dbraw/zinc/64/18/74/1064641874.db2.gz KZXVYVLNUWHKJT-URXFXBBRSA-N 1 1 455.647 4.641 20 0 JJADMO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)c1 ZINC001435266291 1064644146 /nfs/dbraw/zinc/64/41/46/1064644146.db2.gz VMXURGNNCIEMKT-IBGZPJMESA-N 1 1 455.908 4.612 20 0 JJADMO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)c1 ZINC001435266294 1064644269 /nfs/dbraw/zinc/64/42/69/1064644269.db2.gz VMXURGNNCIEMKT-LJQANCHMSA-N 1 1 455.908 4.612 20 0 JJADMO CC(C)CCN(C)c1nnc(COc2ccc(F)cc2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001359921380 1064647031 /nfs/dbraw/zinc/64/70/31/1064647031.db2.gz GSGQCQDUFYWKRU-UHFFFAOYSA-N 1 1 457.619 4.598 20 0 JJADMO CC(C)CCN(C)c1nnc(COc2ccc(F)cc2)n1CC[N@H+]1CCc2sccc2C1 ZINC001359921380 1064647037 /nfs/dbraw/zinc/64/70/37/1064647037.db2.gz GSGQCQDUFYWKRU-UHFFFAOYSA-N 1 1 457.619 4.598 20 0 JJADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC001435272779 1064650626 /nfs/dbraw/zinc/65/06/26/1064650626.db2.gz KOWOVJJNNOUCRB-KMDXXIMOSA-N 1 1 457.659 4.831 20 0 JJADMO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC001435306924 1064680960 /nfs/dbraw/zinc/68/09/60/1064680960.db2.gz BAXDBPIYDNWWQO-HXUWFJFHSA-N 1 1 456.999 4.778 20 0 JJADMO COc1cc(C(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)c2ccccc2n1 ZINC001435316115 1064688455 /nfs/dbraw/zinc/68/84/55/1064688455.db2.gz LISDOXLRGMMTEU-IBGZPJMESA-N 1 1 457.496 4.770 20 0 JJADMO Cc1cc(N2CCC(NC(=O)c3ccccc3OCc3ccccc3Cl)CC2)nc(C)[nH+]1 ZINC001435327508 1064699459 /nfs/dbraw/zinc/69/94/59/1064699459.db2.gz LHCXVRCBDMFJAE-UHFFFAOYSA-N 1 1 450.970 4.725 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CC(C)(C)OC[C@@H]3C)n2C[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC001359950515 1064705443 /nfs/dbraw/zinc/70/54/43/1064705443.db2.gz JYXFLCZPUQCSON-SFTDATJTSA-N 1 1 469.674 4.856 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CCC(F)(F)CC3)n2CC(C)(C)[NH+]2CCOCC2)cc1 ZINC001359952100 1064713643 /nfs/dbraw/zinc/71/36/43/1064713643.db2.gz MVNMBUCVEVEUIO-UHFFFAOYSA-N 1 1 491.627 4.716 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCC(=O)NC(C)(C)C)cc1 ZINC001359952517 1064715594 /nfs/dbraw/zinc/71/55/94/1064715594.db2.gz XMERWSHSRSNQTK-UHFFFAOYSA-N 1 1 498.716 4.595 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2CC[N@H+]2CCC[C@H]2C)cc1 ZINC001359954007 1064717647 /nfs/dbraw/zinc/71/76/47/1064717647.db2.gz AGVNCGXHPNKTFN-RDGATRHJSA-N 1 1 469.674 4.716 20 0 JJADMO CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC001435353060 1064718414 /nfs/dbraw/zinc/71/84/14/1064718414.db2.gz STMUZEUUQGFXPY-UHFFFAOYSA-N 1 1 450.505 4.694 20 0 JJADMO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001435357259 1064721584 /nfs/dbraw/zinc/72/15/84/1064721584.db2.gz OFPLXKUILPSBIE-FQEVSTJZSA-N 1 1 452.595 4.825 20 0 JJADMO C[C@H](Oc1cccc(Br)c1)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001435358498 1064722787 /nfs/dbraw/zinc/72/27/87/1064722787.db2.gz COECPTVASFSFOL-YADARESESA-N 1 1 457.412 4.731 20 0 JJADMO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001435358497 1064722852 /nfs/dbraw/zinc/72/28/52/1064722852.db2.gz COECPTVASFSFOL-NTKDMRAZSA-N 1 1 457.412 4.731 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CC[N@@H+]2CC=CCC2)cc1 ZINC001359955414 1064724540 /nfs/dbraw/zinc/72/45/40/1064724540.db2.gz WLPIQNWKHVULED-QFIPXVFZSA-N 1 1 467.658 4.636 20 0 JJADMO C[C@@H]1C[C@@H](NC(=O)c2cc(-c3cccc(Br)c3)no2)CC[N@H+]1Cc1ccccc1 ZINC001435379787 1064731241 /nfs/dbraw/zinc/73/12/41/1064731241.db2.gz TZVSKFZLEZJIBT-UZLBHIALSA-N 1 1 454.368 4.887 20 0 JJADMO C[N@@H+](CCNC(=O)c1cccnc1Oc1cccc(Br)c1)Cc1ccc(F)cc1 ZINC001435415577 1064746684 /nfs/dbraw/zinc/74/66/84/1064746684.db2.gz CFTHWXATMYZUPE-UHFFFAOYSA-N 1 1 458.331 4.637 20 0 JJADMO CC(C)CN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC001359983702 1064760765 /nfs/dbraw/zinc/76/07/65/1064760765.db2.gz WKUDUBOBNCYCRG-QSEAXJEQSA-N 1 1 477.738 4.946 20 0 JJADMO 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CC(C)CSCCn1c(-c2ccccc2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001360083020 1064943927 /nfs/dbraw/zinc/94/39/27/1064943927.db2.gz TXHZXTJKOHPFTM-LADGPHEKSA-N 1 1 481.714 4.587 20 0 JJADMO CC(C)CSCCn1c(-c2cccn2C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001360083003 1064944022 /nfs/dbraw/zinc/94/40/22/1064944022.db2.gz SYDORVMSSJETES-FCHUYYIVSA-N 1 1 458.720 4.764 20 0 JJADMO C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001435699439 1064945772 /nfs/dbraw/zinc/94/57/72/1064945772.db2.gz BJEHUPKIEBBXMT-OYDLWJJNSA-N 1 1 457.659 4.877 20 0 JJADMO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)s3)cc2)CC1 ZINC001435700026 1064946194 /nfs/dbraw/zinc/94/61/94/1064946194.db2.gz APHPPZQJBWEOBP-UHFFFAOYSA-N 1 1 453.995 4.985 20 0 JJADMO COc1ccc(Br)cc1C1(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001435707788 1064949734 /nfs/dbraw/zinc/94/97/34/1064949734.db2.gz WFAQKACLBDGYTO-IEBWSBKVSA-N 1 1 457.412 4.516 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001360092334 1064960863 /nfs/dbraw/zinc/96/08/63/1064960863.db2.gz BFLVADUTYXWFAB-SANMLTNESA-N 1 1 490.696 4.936 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCOC(C)(C)C)CC1 ZINC001360092435 1064961478 /nfs/dbraw/zinc/96/14/78/1064961478.db2.gz GABXNMTZFOGWNG-UHFFFAOYSA-N 1 1 479.616 4.918 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(N2CCOC[C@@H](C3CCC3)C2)nnc1C(C)(C)C ZINC001360092579 1064962375 /nfs/dbraw/zinc/96/23/75/1064962375.db2.gz KQNLCRHYCMUPCU-DEOSSOPVSA-N 1 1 453.675 4.717 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(C3CCCC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 ZINC001360094605 1064965781 /nfs/dbraw/zinc/96/57/81/1064965781.db2.gz GGWSIOCKWUSMFH-UHFFFAOYSA-N 1 1 498.663 4.652 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCSCc2ccccc2F)CC1 ZINC001360094541 1064966041 /nfs/dbraw/zinc/96/60/41/1064966041.db2.gz CZONRBNWQKGQME-JOCHJYFZSA-N 1 1 489.705 4.801 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCCCO3)n2CC2CCC(F)(F)CC2)CC1 ZINC001360094607 1064966138 /nfs/dbraw/zinc/96/61/38/1064966138.db2.gz GKSNJZXSDDJGMM-NRFANRHFSA-N 1 1 453.622 4.902 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccccn3)n2Cc2ccccc2C(F)(F)F)CC1 ZINC001360094775 1064966808 /nfs/dbraw/zinc/96/68/08/1064966808.db2.gz LPFFKHUVJUSREA-UHFFFAOYSA-N 1 1 472.559 4.964 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2CCOc2ccc(F)c(Cl)c2)CC1 ZINC001360095081 1064968674 /nfs/dbraw/zinc/96/86/74/1064968674.db2.gz WKDOXSCBYMGEBP-UHFFFAOYSA-N 1 1 489.039 4.712 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@]2(O)CCCC2(C)C)CC1 ZINC001360095636 1064970113 /nfs/dbraw/zinc/97/01/13/1064970113.db2.gz MGXHFZOWOCQSTD-GDLZYMKVSA-N 1 1 481.729 4.951 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccccc3F)n2CCc2ccsc2)CC1 ZINC001360095833 1064970678 /nfs/dbraw/zinc/97/06/78/1064970678.db2.gz QIOJRZCIHOIVLJ-UHFFFAOYSA-N 1 1 455.647 4.869 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)c2ccccn2)CC1 ZINC001360096071 1064971749 /nfs/dbraw/zinc/97/17/49/1064971749.db2.gz WEHREZYXQCESSA-UHFFFAOYSA-N 1 1 452.691 4.940 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CC1CC1 ZINC001360097232 1064973202 /nfs/dbraw/zinc/97/32/02/1064973202.db2.gz AIKHGNXKMGPBGN-UHFFFAOYSA-N 1 1 454.844 4.938 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H]1[C@@H]1CCCO1 ZINC001360097313 1064973945 /nfs/dbraw/zinc/97/39/45/1064973945.db2.gz COHWZXDTSZNIQR-SFTDATJTSA-N 1 1 494.453 4.725 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001360097317 1064974070 /nfs/dbraw/zinc/97/40/70/1064974070.db2.gz CQPYACRQMBKRFC-IBGZPJMESA-N 1 1 479.025 4.502 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](c2cnn(C)c2)C1 ZINC001360097571 1064975656 /nfs/dbraw/zinc/97/56/56/1064975656.db2.gz LVBMPGPCSSCPQH-QGZVFWFLSA-N 1 1 476.456 4.710 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CC(F)(F)F ZINC001360097632 1064975816 /nfs/dbraw/zinc/97/58/16/1064975816.db2.gz OFFXFUVIWYEVOW-UHFFFAOYSA-N 1 1 466.321 4.576 20 0 JJADMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)C1 ZINC001360099818 1064978841 /nfs/dbraw/zinc/97/88/41/1064978841.db2.gz QGLIKYLTRCLLQM-NRFANRHFSA-N 1 1 453.345 4.792 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)c1ccco1 ZINC001360100449 1064980104 /nfs/dbraw/zinc/98/01/04/1064980104.db2.gz MUODJUBLXLTQJF-NHCUHLMSSA-N 1 1 488.677 4.913 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC2(CCC2)C1 ZINC001360100312 1064980275 /nfs/dbraw/zinc/98/02/75/1064980275.db2.gz KCDNZAXFIGRQJO-UHFFFAOYSA-N 1 1 474.694 4.503 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccsc2)nnc1N1CCN(c2ccccc2Cl)CC1 ZINC001360101030 1064980801 /nfs/dbraw/zinc/98/08/01/1064980801.db2.gz CIKGAEAZBDOSLG-UHFFFAOYSA-N 1 1 473.090 4.641 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(CC2CCCC2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC001360103520 1064983278 /nfs/dbraw/zinc/98/32/78/1064983278.db2.gz OJKACDMMXMBNNP-NRFANRHFSA-N 1 1 488.671 4.903 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(CCOc2ccccc2)nnc1N1CCCc2sccc2C1 ZINC001360103611 1064983985 /nfs/dbraw/zinc/98/39/85/1064983985.db2.gz RIICJLWTKSXOQD-UHFFFAOYSA-N 1 1 453.656 4.644 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CCc2c(F)ccc(F)c2C1 ZINC001360104207 1064984869 /nfs/dbraw/zinc/98/48/69/1064984869.db2.gz MTIMURJLBRSJSS-UHFFFAOYSA-N 1 1 496.425 4.950 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC([C@@H]2CCCO2)CC1 ZINC001360104131 1064985111 /nfs/dbraw/zinc/98/51/11/1064985111.db2.gz KOWWGRQSOXWQTQ-NRFANRHFSA-N 1 1 494.453 4.582 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1c1cccs1 ZINC001360104856 1064986825 /nfs/dbraw/zinc/98/68/25/1064986825.db2.gz YZWVRSSIYVWPCB-QGZVFWFLSA-N 1 1 477.476 4.789 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001360106660 1064988144 /nfs/dbraw/zinc/98/81/44/1064988144.db2.gz MFGIGTYVWQYXMI-QGZVFWFLSA-N 1 1 458.404 4.635 20 0 JJADMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001435779233 1064988382 /nfs/dbraw/zinc/98/83/82/1064988382.db2.gz UCINTTSRSDOFCY-UHFFFAOYSA-N 1 1 451.611 4.620 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001360106712 1064988972 /nfs/dbraw/zinc/98/89/72/1064988972.db2.gz NXYRFWPSKACSIR-UHFFFAOYSA-N 1 1 473.246 4.947 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2cccn2C)nnc1N1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1 ZINC001360107127 1064989482 /nfs/dbraw/zinc/98/94/82/1064989482.db2.gz DFNVBAQUCKBQPZ-UHFFFAOYSA-N 1 1 493.656 4.534 20 0 JJADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)c1cccs1 ZINC001360111148 1064992343 /nfs/dbraw/zinc/99/23/43/1064992343.db2.gz ZSBPSTRCBNGBBL-WOJBJXKFSA-N 1 1 490.718 4.992 20 0 JJADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)c1cccs1 ZINC001360111146 1064992456 /nfs/dbraw/zinc/99/24/56/1064992456.db2.gz ZSBPSTRCBNGBBL-UXHICEINSA-N 1 1 490.718 4.992 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1CCC(c2ccsc2)CC1 ZINC001360113280 1064994908 /nfs/dbraw/zinc/99/49/08/1064994908.db2.gz VNERTCIWULYNLK-UHFFFAOYSA-N 1 1 457.619 4.782 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H]1[C@@H]1CCCO1 ZINC001360113009 1064995003 /nfs/dbraw/zinc/99/50/03/1064995003.db2.gz QFECNOBHJOQSBH-FPOVZHCZSA-N 1 1 482.456 4.652 20 0 JJADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(c2ccsc2)CC1 ZINC001360113783 1064996306 /nfs/dbraw/zinc/99/63/06/1064996306.db2.gz NVZPTTHFUBZKQB-FGZHOGPDSA-N 1 1 459.704 4.982 20 0 JJADMO CC(C)N(Cc1cccc(F)c1)c1nnc(Cc2cccnc2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001360118640 1065005095 /nfs/dbraw/zinc/00/50/95/1065005095.db2.gz MSBUEPRWQMKFEE-XMMPIXPASA-N 1 1 464.633 4.938 20 0 JJADMO CC(C)[NH+](CCCn1c(-c2cccnc2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1)C(C)C ZINC001360125635 1065018409 /nfs/dbraw/zinc/01/84/09/1065018409.db2.gz QQSCNCHGOUTCRG-UHFFFAOYSA-N 1 1 493.675 4.700 20 0 JJADMO CCCN(C(=O)c1nc(C(C)C)ncc1Br)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001360129098 1065024215 /nfs/dbraw/zinc/02/42/15/1065024215.db2.gz FLFYCTXXNXMBPJ-LJQANCHMSA-N 1 1 459.432 4.879 20 0 JJADMO Cc1cc(Br)c(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1Br ZINC001435854293 1065026061 /nfs/dbraw/zinc/02/60/61/1065026061.db2.gz ZRJFMXVOAHRHCW-ZIAGYGMSSA-N 1 1 458.238 4.903 20 0 JJADMO COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)c(OCCC(C)C)c1 ZINC001435864916 1065032497 /nfs/dbraw/zinc/03/24/97/1065032497.db2.gz HFMANNVQIJBEMC-LOSJGSFVSA-N 1 1 459.675 4.529 20 0 JJADMO Cc1ccc(-c2ncc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CCN(C)CC3)s2)c(C)c1 ZINC001435864878 1065032695 /nfs/dbraw/zinc/03/26/95/1065032695.db2.gz GWPITCHMPOMTIS-XZOQPEGZSA-N 1 1 454.684 4.836 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3ccccc3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001360138185 1065034331 /nfs/dbraw/zinc/03/43/31/1065034331.db2.gz BSCFYYMCQVHLMJ-GGAORHGYSA-N 1 1 482.673 4.559 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2ccsc2)C1 ZINC001360138100 1065034350 /nfs/dbraw/zinc/03/43/50/1065034350.db2.gz ARMUQOJHZHTRPL-KRWDZBQOSA-N 1 1 491.503 4.864 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3ccc(Br)s3)nnc2N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001360138825 1065035018 /nfs/dbraw/zinc/03/50/18/1065035018.db2.gz KHBDBKVGZWEVAS-IXDOHACOSA-N 1 1 482.492 4.503 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cc(F)ccc3Br)nnc2N(C)C2CCC2)C1 ZINC001360138945 1065035444 /nfs/dbraw/zinc/03/54/44/1065035444.db2.gz LYLTZYAJLRPUBA-INIZCTEOSA-N 1 1 464.427 4.956 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cccnc3)nnc2N(C)Cc2ccc(Cl)c(F)c2)C1 ZINC001360139874 1065036849 /nfs/dbraw/zinc/03/68/49/1065036849.db2.gz VSLYMTIYCNEIBN-LJQANCHMSA-N 1 1 456.997 4.889 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3ccccn3)nnc2N(C)[C@H](C)c2ccccc2F)C1 ZINC001360140456 1065037732 /nfs/dbraw/zinc/03/77/32/1065037732.db2.gz DONHWWDRGZEZMA-RTWAWAEBSA-N 1 1 450.606 4.721 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N(C)[C@H](C)c2ccc([S@](C)=O)cc2)C1 ZINC001360140645 1065038213 /nfs/dbraw/zinc/03/82/13/1065038213.db2.gz HZIYHPQUBYZJPA-SULRNWAHSA-N 1 1 499.750 4.986 20 0 JJADMO Cc1nc(-c2ccc(C)cc2)c(CC(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)s1 ZINC001435876273 1065038987 /nfs/dbraw/zinc/03/89/87/1065038987.db2.gz SWECMRQVRLVVDD-QFIPXVFZSA-N 1 1 451.661 4.703 20 0 JJADMO Cc1nc(-c2ccc(C)cc2)c(CC(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)s1 ZINC001435876273 1065039001 /nfs/dbraw/zinc/03/90/01/1065039001.db2.gz SWECMRQVRLVVDD-QFIPXVFZSA-N 1 1 451.661 4.703 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](COc3ccccc3)C2)C1 ZINC001360141369 1065039650 /nfs/dbraw/zinc/03/96/50/1065039650.db2.gz ONWOWJMCEOTHTP-XZOQPEGZSA-N 1 1 453.675 4.892 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@H](COc3ccccc3)C2)C1 ZINC001360141368 1065039876 /nfs/dbraw/zinc/03/98/76/1065039876.db2.gz ONWOWJMCEOTHTP-PKTZIBPZSA-N 1 1 453.675 4.892 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N(C)CCc2ccccc2F)C1 ZINC001360141608 1065040366 /nfs/dbraw/zinc/04/03/66/1065040366.db2.gz QRQXDWKJFBGEFR-NRFANRHFSA-N 1 1 455.647 4.869 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3cccnc3)nnc2N(C)[C@@H](C)c2cc(F)ccc2F)C1 ZINC001360141913 1065040807 /nfs/dbraw/zinc/04/08/07/1065040807.db2.gz STZZKTHOXIKTNV-FPOVZHCZSA-N 1 1 468.596 4.860 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)[C@@H]2CCOC2)C1 ZINC001360141733 1065040985 /nfs/dbraw/zinc/04/09/85/1065040985.db2.gz RRLBSJIEIFIBAT-FYYLOGMGSA-N 1 1 469.674 4.500 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)C1 ZINC001360142149 1065041537 /nfs/dbraw/zinc/04/15/37/1065041537.db2.gz UKLVHZKHSMCXTJ-FCHUYYIVSA-N 1 1 459.704 4.835 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2CC(F)(F)C2)CC1 ZINC001360143434 1065043934 /nfs/dbraw/zinc/04/39/34/1065043934.db2.gz GRFMWHIEZCGDPI-UHFFFAOYSA-N 1 1 455.500 4.512 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCCOC2)CC1 ZINC001360143310 1065044092 /nfs/dbraw/zinc/04/40/92/1065044092.db2.gz DRNRWDDZEVKYCA-KRWDZBQOSA-N 1 1 452.430 4.599 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[C@H]2C[C@H](F)C2)CC1 ZINC001360143604 1065044726 /nfs/dbraw/zinc/04/47/26/1065044726.db2.gz JNJDHODOXKUWFX-UAPYVXQJSA-N 1 1 451.537 4.605 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCc2nccs2)CC1 ZINC001360143652 1065044747 /nfs/dbraw/zinc/04/47/47/1065044747.db2.gz KNRSFFHRNMFREO-UHFFFAOYSA-N 1 1 476.597 4.556 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOC2CCCCC2)CC1 ZINC001360144111 1065045430 /nfs/dbraw/zinc/04/54/30/1065045430.db2.gz VBFSCHHUKPVDLV-UHFFFAOYSA-N 1 1 493.494 4.696 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccccc3)n2CCc2nc(C(C)(C)C)cs2)CC1 ZINC001360144594 1065046886 /nfs/dbraw/zinc/04/68/86/1065046886.db2.gz OZXLRSIFFZEFBF-UHFFFAOYSA-N 1 1 452.672 4.862 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2nnc(C(C)(C)C)s2)CC1 ZINC001360145923 1065047951 /nfs/dbraw/zinc/04/79/51/1065047951.db2.gz BORBDQDHJBVRGA-UHFFFAOYSA-N 1 1 488.105 4.640 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CC=CCC2)CC1 ZINC001360146210 1065048031 /nfs/dbraw/zinc/04/80/31/1065048031.db2.gz GNJWSCQOIJAWPC-PKTZIBPZSA-N 1 1 486.705 4.669 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(C3CCCC3)n2Cc2ccccc2OCC(F)(F)F)CC1 ZINC001360146354 1065048620 /nfs/dbraw/zinc/04/86/20/1065048620.db2.gz JNBPGPJMWOKRFT-UHFFFAOYSA-N 1 1 465.564 4.846 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CCC2(F)CCC2)CC1 ZINC001360146919 1065048735 /nfs/dbraw/zinc/04/87/35/1065048735.db2.gz ADYVXYVJNAZRKN-UHFFFAOYSA-N 1 1 450.002 4.713 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(Cc3ccccn3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)CC1 ZINC001360146295 1065048765 /nfs/dbraw/zinc/04/87/65/1065048765.db2.gz IGOOMJCXSCLEAK-QHCPKHFHSA-N 1 1 490.549 4.806 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CCC2CC(OC(C)(C)C)C2)CC1 ZINC001360146409 1065048794 /nfs/dbraw/zinc/04/87/94/1065048794.db2.gz LENBQBDSNBKPTB-UHFFFAOYSA-N 1 1 471.665 4.912 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2CC(C)(C)C2)CC1 ZINC001360146399 1065048825 /nfs/dbraw/zinc/04/88/25/1065048825.db2.gz KXZJUHGEXGZJST-UHFFFAOYSA-N 1 1 488.721 4.749 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001545893975 1065048903 /nfs/dbraw/zinc/04/89/03/1065048903.db2.gz LTTJTIYUNRVJGR-RTBURBONSA-N 1 1 486.627 4.630 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2c(F)cccc2Cl)CC1 ZINC001360147277 1065049591 /nfs/dbraw/zinc/04/95/91/1065049591.db2.gz OTMULPWTOQVTHU-XMSQKQJNSA-N 1 1 478.056 4.958 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(CCCc3ccccc3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 ZINC001360147104 1065049672 /nfs/dbraw/zinc/04/96/72/1065049672.db2.gz HTUMHSYQCMFHDI-UHFFFAOYSA-N 1 1 490.696 4.995 20 0 JJADMO CC(C)N1CCN(c2nnc(-c3ccccc3Br)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001360150084 1065053620 /nfs/dbraw/zinc/05/36/20/1065053620.db2.gz PEFXBZLQQXTYER-FQEVSTJZSA-N 1 1 489.506 4.503 20 0 JJADMO CC(C)N1CCN(c2nnc(-c3ccccc3Br)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001360150084 1065053633 /nfs/dbraw/zinc/05/36/33/1065053633.db2.gz PEFXBZLQQXTYER-FQEVSTJZSA-N 1 1 489.506 4.503 20 0 JJADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2sc3ccc(Br)cc3c2C)[C@@H](C)C1 ZINC001360151121 1065054943 /nfs/dbraw/zinc/05/49/43/1065054943.db2.gz RXGGDJBFDXGFBY-KBXCAEBGSA-N 1 1 453.446 4.839 20 0 JJADMO CC(C)N1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC001360152434 1065055812 /nfs/dbraw/zinc/05/58/12/1065055812.db2.gz LEDXIMBRAWDANM-NFBKMPQASA-N 1 1 458.720 4.542 20 0 JJADMO CC(C)N1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC001360152434 1065055828 /nfs/dbraw/zinc/05/58/28/1065055828.db2.gz LEDXIMBRAWDANM-NFBKMPQASA-N 1 1 458.720 4.542 20 0 JJADMO CC(C)N1CC[NH+](C2CCN(c3nnc(C(C)(C)C)n3[C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)CC1 ZINC001360156171 1065057937 /nfs/dbraw/zinc/05/79/37/1065057937.db2.gz SSLJGLLPKPCANQ-PZJWPPBQSA-N 1 1 484.655 4.864 20 0 JJADMO CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)cc1 ZINC001435927433 1065067766 /nfs/dbraw/zinc/06/77/66/1065067766.db2.gz YIOLSIJNQKHPQJ-CYBMUJFWSA-N 1 1 450.402 4.588 20 0 JJADMO CC(C)NC(=O)c1nnc(N2CCC(C(C)C)CC2)n1C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001360195618 1065076668 /nfs/dbraw/zinc/07/66/68/1065076668.db2.gz WETCTAVHPMARBW-XMMPIXPASA-N 1 1 480.701 4.591 20 0 JJADMO CC(C)NC(=O)c1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1C1CC(C(C)(C)C)C1 ZINC001360199716 1065078222 /nfs/dbraw/zinc/07/82/22/1065078222.db2.gz JZLCGMDLVOCHMT-RBKXMNCYSA-N 1 1 466.674 4.514 20 0 JJADMO CC(C)NC(=O)c1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1C[C@H]1CCCC1(C)C ZINC001360203478 1065079239 /nfs/dbraw/zinc/07/92/39/1065079239.db2.gz GTMWGGFYMVHZEB-FYYLOGMGSA-N 1 1 472.722 4.724 20 0 JJADMO CC(C)NC(=O)c1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1CCCC1CCCC1 ZINC001360203940 1065079755 /nfs/dbraw/zinc/07/97/55/1065079755.db2.gz VURZTEGBHPSODX-QFIPXVFZSA-N 1 1 472.722 4.868 20 0 JJADMO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC001360233732 1065093355 /nfs/dbraw/zinc/09/33/55/1065093355.db2.gz PSWKKQLBBIIURM-CAKYRVLISA-N 1 1 480.672 4.549 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC001360233732 1065093368 /nfs/dbraw/zinc/09/33/68/1065093368.db2.gz PSWKKQLBBIIURM-CAKYRVLISA-N 1 1 480.672 4.549 20 0 JJADMO CC(C)c1nc(C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)nn1-c1ccccc1Cl ZINC001435993649 1065098277 /nfs/dbraw/zinc/09/82/77/1065098277.db2.gz CTONNTDNLWDZDM-NRFANRHFSA-N 1 1 454.018 4.931 20 0 JJADMO CC(C)c1nc(C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)nn1-c1ccccc1Cl ZINC001435993657 1065098370 /nfs/dbraw/zinc/09/83/70/1065098370.db2.gz CTONNTDNLWDZDM-OAQYLSRUSA-N 1 1 454.018 4.931 20 0 JJADMO Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001436013867 1065112182 /nfs/dbraw/zinc/11/21/82/1065112182.db2.gz ALQNPXWWRBOHRL-FQEVSTJZSA-N 1 1 451.592 4.932 20 0 JJADMO CSc1ncc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1-c1ccc(F)cc1 ZINC001436015104 1065113690 /nfs/dbraw/zinc/11/36/90/1065113690.db2.gz LKCYJTYGCOAOCQ-JOCHJYFZSA-N 1 1 452.599 4.764 20 0 JJADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCCCNC(=O)OCc1ccccc1 ZINC001436018316 1065116652 /nfs/dbraw/zinc/11/66/52/1065116652.db2.gz WOSSGDHVFBZLAL-DEOSSOPVSA-N 1 1 451.611 4.500 20 0 JJADMO C[C@@H](CNC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)[N@@H+](C)Cc1ccccc1 ZINC001360281901 1065122972 /nfs/dbraw/zinc/12/29/72/1065122972.db2.gz MTOQVVSBRLUCEK-FQEVSTJZSA-N 1 1 455.558 4.864 20 0 JJADMO CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)c3ccccc3)n2CC[N@H+]2CCCC(C)(C)C2)CCOC1 ZINC001360320412 1065157393 /nfs/dbraw/zinc/15/73/93/1065157393.db2.gz XLDIIWSBWYEQPV-WXVAWEFUSA-N 1 1 469.674 4.638 20 0 JJADMO CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CCOC1 ZINC001360324301 1065162892 /nfs/dbraw/zinc/16/28/92/1065162892.db2.gz NKAHHGMIOCAUHT-CYFREDJKSA-N 1 1 496.121 4.790 20 0 JJADMO C[C@]1(CNC(=O)c2cc(-c3ccc(Br)cc3)no2)CC[N@@H+](Cc2ccccc2)C1 ZINC001436095022 1065176487 /nfs/dbraw/zinc/17/64/87/1065176487.db2.gz HBEVOJWFBLIUBS-HSZRJFAPSA-N 1 1 454.368 4.746 20 0 JJADMO CC(C)O[C@]1(c2nnc(N3CCC(C(C)C)CC3)n2CCCC[N@H+]2CCCC[C@H]2C)CCOC1 ZINC001360336114 1065184166 /nfs/dbraw/zinc/18/41/66/1065184166.db2.gz NJCKCPOCFIQKQF-YIXXDRMTSA-N 1 1 475.722 4.846 20 0 JJADMO CCSc1ccc(CC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(Br)c1 ZINC001436117519 1065191090 /nfs/dbraw/zinc/19/10/90/1065191090.db2.gz BEVBVCPJCKQWAS-BGYRXZFFSA-N 1 1 459.453 4.694 20 0 JJADMO CC(C)O[C@]1(c2nnc(N3CCC[N@H+](C(C)C)CC3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CCOC1 ZINC001360345755 1065195056 /nfs/dbraw/zinc/19/50/56/1065195056.db2.gz NJVHIXKLOLKOLQ-MIZPHKNDSA-N 1 1 487.611 4.533 20 0 JJADMO CC1CCC(Oc2cc(CNC(=O)c3ccc(C[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)ccn2)CC1 ZINC001360357872 1065209489 /nfs/dbraw/zinc/20/94/89/1065209489.db2.gz ZWJCQKGGZFFGGZ-HRZAVBMWSA-N 1 1 451.611 4.578 20 0 JJADMO CC(C)Oc1cccc(CN(C)c2nnc(-c3ccccn3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC001360360002 1065212508 /nfs/dbraw/zinc/21/25/08/1065212508.db2.gz NPYXDIQAISQFEI-DEOSSOPVSA-N 1 1 462.642 4.884 20 0 JJADMO CC(C)OC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001360364251 1065221549 /nfs/dbraw/zinc/22/15/49/1065221549.db2.gz MFDYDTDNBBWIBU-HXUWFJFHSA-N 1 1 493.494 4.550 20 0 JJADMO CC(C)OC[C@@H]1CN(c2nnc(C(C)(C)C)n2CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCO1 ZINC001360367349 1065226008 /nfs/dbraw/zinc/22/60/08/1065226008.db2.gz HERZQYQYALSWOD-GPXOXTDOSA-N 1 1 483.701 4.507 20 0 JJADMO CCC[N@@H+](C)[C@@H](CNC(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC001436197540 1065244760 /nfs/dbraw/zinc/24/47/60/1065244760.db2.gz JPAPDTDVNQZQLZ-YADHBBJMSA-N 1 1 450.410 4.760 20 0 JJADMO CCC[N@@H+](C)[C@H](CNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)c1ccc(Cl)cc1 ZINC001436201170 1065247874 /nfs/dbraw/zinc/24/78/74/1065247874.db2.gz JECSVWKXGPXZQC-NJYVYQBISA-N 1 1 480.834 4.774 20 0 JJADMO CN(C(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC001360387115 1065251264 /nfs/dbraw/zinc/25/12/64/1065251264.db2.gz ABRMPPXVYTXXBR-KRWDZBQOSA-N 1 1 453.892 4.777 20 0 JJADMO CC(C)OCCCn1c(-c2cccnc2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001360387008 1065251366 /nfs/dbraw/zinc/25/13/66/1065251366.db2.gz WUZKCBYDHXNWPO-JOCHJYFZSA-N 1 1 454.663 4.636 20 0 JJADMO CCn1nc(C(F)(F)F)c(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1C(F)F ZINC001436209237 1065252184 /nfs/dbraw/zinc/25/21/84/1065252184.db2.gz JZUXUVSLFOYXCV-OAQYLSRUSA-N 1 1 456.459 4.598 20 0 JJADMO C/C(=C/C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001360387222 1065252189 /nfs/dbraw/zinc/25/21/89/1065252189.db2.gz DATARZNEMVHLCK-QYRZDNMNSA-N 1 1 459.512 4.914 20 0 JJADMO COc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)[N@H+](C)CCC(F)(F)F)nc1Cl ZINC001436229548 1065268129 /nfs/dbraw/zinc/26/81/29/1065268129.db2.gz JQHNXZNPCDWTTQ-OAHLLOKOSA-N 1 1 450.288 4.752 20 0 JJADMO COc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)[N@@H+](C)CCC(F)(F)F)nc1Cl ZINC001436229548 1065268132 /nfs/dbraw/zinc/26/81/32/1065268132.db2.gz JQHNXZNPCDWTTQ-OAHLLOKOSA-N 1 1 450.288 4.752 20 0 JJADMO Cc1cc(C(F)F)n(CC(=O)NC[C@H](c2ccc(Cl)cc2)[N@H+](C)CCC(F)(F)F)n1 ZINC001436230292 1065268807 /nfs/dbraw/zinc/26/88/07/1065268807.db2.gz PIUNGFOUTKPOHD-MRXNPFEDSA-N 1 1 452.855 4.524 20 0 JJADMO Cc1cc(C(F)F)n(CC(=O)NC[C@H](c2ccc(Cl)cc2)[N@@H+](C)CCC(F)(F)F)n1 ZINC001436230292 1065268824 /nfs/dbraw/zinc/26/88/24/1065268824.db2.gz PIUNGFOUTKPOHD-MRXNPFEDSA-N 1 1 452.855 4.524 20 0 JJADMO Cc1cc(Cl)cc(Br)c1OC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC001436233829 1065270486 /nfs/dbraw/zinc/27/04/86/1065270486.db2.gz GDOXLPKIYJZSKT-IRXDYDNUSA-N 1 1 454.796 4.564 20 0 JJADMO CC(C)OCC[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCCC2(C)C)CC1 ZINC001360409938 1065274027 /nfs/dbraw/zinc/27/40/27/1065274027.db2.gz YPJLUDWRQZBKMY-FCHUYYIVSA-N 1 1 487.664 4.931 20 0 JJADMO CC(C)OCC[NH+]1CCN(c2nnc(C3CCCC3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001360410965 1065274676 /nfs/dbraw/zinc/27/46/76/1065274676.db2.gz XMDSOCGNJQWONI-UHFFFAOYSA-N 1 1 483.554 4.689 20 0 JJADMO CC(C)OCC[NH+]1CCN(c2nnc(CC3CCCC3)n2CCc2ccc(Cl)s2)CC1 ZINC001360413174 1065275708 /nfs/dbraw/zinc/27/57/08/1065275708.db2.gz ONLIKPKCFBMTQB-UHFFFAOYSA-N 1 1 466.095 4.515 20 0 JJADMO C[C@@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1ccc(C(F)F)cc1F ZINC001436258323 1065278215 /nfs/dbraw/zinc/27/82/15/1065278215.db2.gz ZKXOVEQYDNQRNW-GFCCVEGCSA-N 1 1 456.306 4.918 20 0 JJADMO CC(C)SCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001360423554 1065291205 /nfs/dbraw/zinc/29/12/05/1065291205.db2.gz WOTQHYPODXVRIZ-IRLDBZIGSA-N 1 1 471.715 4.969 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3cnn(-c4cccc(C(F)(F)F)c4)c3)cc2)C[C@H](C)O1 ZINC001360423486 1065291329 /nfs/dbraw/zinc/29/13/29/1065291329.db2.gz WYFZPASUHJRZFD-CALCHBBNSA-N 1 1 458.484 4.753 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3cnn(-c4cccc(C(F)(F)F)c4)c3)cc2)C[C@H](C)O1 ZINC001360423486 1065291339 /nfs/dbraw/zinc/29/13/39/1065291339.db2.gz WYFZPASUHJRZFD-CALCHBBNSA-N 1 1 458.484 4.753 20 0 JJADMO C[C@H](c1cc(F)ccc1F)N(C)c1nnc(CC(C)(C)C)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001360428648 1065301608 /nfs/dbraw/zinc/30/16/08/1065301608.db2.gz NMUKIMJNYSBFON-UYAOXDASSA-N 1 1 463.617 4.579 20 0 JJADMO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc([C@@H]2CCCOC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001360429371 1065304246 /nfs/dbraw/zinc/30/42/46/1065304246.db2.gz UWXLGLWDBYDKRJ-RBUKOAKNSA-N 1 1 461.601 4.912 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1C[C@]1(C)CCCS1 ZINC001545897494 1065305096 /nfs/dbraw/zinc/30/50/96/1065305096.db2.gz AJLPPZCLCMRCDO-YPCDYVTLSA-N 1 1 490.762 4.573 20 0 JJADMO O=C(Nc1ccc(Br)c(F)c1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001360433231 1065311212 /nfs/dbraw/zinc/31/12/12/1065311212.db2.gz YHSOYPCGJHMRHB-IAGOWNOFSA-N 1 1 460.372 4.899 20 0 JJADMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C2CCC2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001360440361 1065323575 /nfs/dbraw/zinc/32/35/75/1065323575.db2.gz QRUJAARFZVEBNF-FQEVSTJZSA-N 1 1 487.714 4.801 20 0 JJADMO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CC(C)(C)C)n1CC[N@@H+](C)C1CCCCC1 ZINC001360448142 1065338295 /nfs/dbraw/zinc/33/82/95/1065338295.db2.gz LDZHEQPQUSLIQY-QFIPXVFZSA-N 1 1 482.717 4.787 20 0 JJADMO C[C@H](c1ccco1)N(C)c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+](C)C1CCCC1 ZINC001360454727 1065353506 /nfs/dbraw/zinc/35/35/06/1065353506.db2.gz PVRPGTXJYQYJOJ-MRXNPFEDSA-N 1 1 475.435 4.711 20 0 JJADMO CCc1nc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nn1-c1ccccc1Cl ZINC001360459514 1065361010 /nfs/dbraw/zinc/36/10/10/1065361010.db2.gz JNSFUMNJAMTYET-QUCCMNQESA-N 1 1 452.002 4.608 20 0 JJADMO C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2CNC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001360459955 1065361830 /nfs/dbraw/zinc/36/18/30/1065361830.db2.gz NNPUUGRUJFNVEA-REWPJTCUSA-N 1 1 451.611 4.836 20 0 JJADMO C[C@@H](c1cccs1)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001360460804 1065364104 /nfs/dbraw/zinc/36/41/04/1065364104.db2.gz HRGGNDLPKXFPCY-FUHWJXTLSA-N 1 1 481.651 4.549 20 0 JJADMO Cc1sc2nc(C)nc(SCC(=O)N3CCC[N@H+](Cc4ccccc4)C[C@@H]3C)c2c1C ZINC001360464754 1065373841 /nfs/dbraw/zinc/37/38/41/1065373841.db2.gz GOJOEOZEHDNIKN-INIZCTEOSA-N 1 1 454.665 4.832 20 0 JJADMO C[C@@H](c1cccs1)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[N@@H+](C)C1CCCCC1 ZINC001360466073 1065376585 /nfs/dbraw/zinc/37/65/85/1065376585.db2.gz HKKAEMJXAIVWOO-SFHVURJKSA-N 1 1 486.711 4.793 20 0 JJADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@](C)(O)C2CCCCC2)CC1 ZINC001360466110 1065376617 /nfs/dbraw/zinc/37/66/17/1065376617.db2.gz IHCPJCJUZQQDRU-KBMIEXCESA-N 1 1 459.704 4.852 20 0 JJADMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(-c3ccccc3)n2CCCN(C)CC(F)(F)F)CC1 ZINC001360467738 1065382365 /nfs/dbraw/zinc/38/23/65/1065382365.db2.gz YTPCHIZBHILWSQ-IBGZPJMESA-N 1 1 492.615 4.774 20 0 JJADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCCN(C)CC(F)(F)F)CC1 ZINC001360468207 1065383855 /nfs/dbraw/zinc/38/38/55/1065383855.db2.gz ZHOHKLABCVBXEV-GOSISDBHSA-N 1 1 486.652 4.696 20 0 JJADMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C(F)(F)c1ccc(Br)cc1 ZINC001436597132 1065390634 /nfs/dbraw/zinc/39/06/34/1065390634.db2.gz DSDCXWPLHSUAFB-GOSISDBHSA-N 1 1 451.355 4.959 20 0 JJADMO Cc1cc(NC(=O)c2ccco2)sc1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001436598470 1065391563 /nfs/dbraw/zinc/39/15/63/1065391563.db2.gz HSBUNZMRDQVTCX-HXUWFJFHSA-N 1 1 451.592 4.934 20 0 JJADMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC001436602068 1065394831 /nfs/dbraw/zinc/39/48/31/1065394831.db2.gz XCIJEWINCWSKNK-GOSISDBHSA-N 1 1 458.484 4.788 20 0 JJADMO CC(C)c1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1C[C@@H](C)Cc1cccs1 ZINC001360498892 1065418180 /nfs/dbraw/zinc/41/81/80/1065418180.db2.gz XMVGGNLRWAKBOZ-NRFANRHFSA-N 1 1 453.656 4.543 20 0 JJADMO C[C@H]1CN(C(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2Cl)CC[N@@H+]1Cc1ccccc1 ZINC001436726984 1065430111 /nfs/dbraw/zinc/43/01/11/1065430111.db2.gz PKNWNPVQPSRTQJ-SFHVURJKSA-N 1 1 458.002 4.962 20 0 JJADMO C[C@H]1CN(C(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2Cl)CC[N@H+]1Cc1ccccc1 ZINC001436726984 1065430115 /nfs/dbraw/zinc/43/01/15/1065430115.db2.gz PKNWNPVQPSRTQJ-SFHVURJKSA-N 1 1 458.002 4.962 20 0 JJADMO C[C@@H]1CN(C(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2Cl)CC[N@@H+]1Cc1ccccc1 ZINC001436726983 1065430469 /nfs/dbraw/zinc/43/04/69/1065430469.db2.gz PKNWNPVQPSRTQJ-GOSISDBHSA-N 1 1 458.002 4.962 20 0 JJADMO C[C@@H]1CN(C(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2Cl)CC[N@H+]1Cc1ccccc1 ZINC001436726983 1065430481 /nfs/dbraw/zinc/43/04/81/1065430481.db2.gz PKNWNPVQPSRTQJ-GOSISDBHSA-N 1 1 458.002 4.962 20 0 JJADMO C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cccn2C)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001360503425 1065431450 /nfs/dbraw/zinc/43/14/50/1065431450.db2.gz LCUFBCVWUZTQRH-GBXCKJPGSA-N 1 1 464.658 4.567 20 0 JJADMO C[C@@H](CCn1c([C@H]2CCCCO2)nnc1N(C)CC1CC(F)(F)C1)[N@@H+](C)Cc1ccccc1 ZINC001360509740 1065450579 /nfs/dbraw/zinc/45/05/79/1065450579.db2.gz XHEOKDMUESBERE-SIKLNZKXSA-N 1 1 461.601 4.912 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCCOC3)n2CC[C@@H](C)c2ccccc2)CC1 ZINC001360509581 1065450770 /nfs/dbraw/zinc/45/07/70/1065450770.db2.gz VHAHBTPRGRBIRV-RCZVLFRGSA-N 1 1 453.675 4.923 20 0 JJADMO C[C@H](CCn1c(CC2CC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360510310 1065453332 /nfs/dbraw/zinc/45/33/32/1065453332.db2.gz HWEZVAVGZLEQAK-QPPBQGQZSA-N 1 1 496.700 4.635 20 0 JJADMO C[NH+](C)[C@H](C(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1)c1cccc(Cl)c1 ZINC001360512743 1065459979 /nfs/dbraw/zinc/45/99/79/1065459979.db2.gz VSFVYGSEZWNXJM-QFIPXVFZSA-N 1 1 458.967 4.777 20 0 JJADMO C[C@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCSCC1)[N@@H+](C)Cc1ccccc1 ZINC001360513594 1065461031 /nfs/dbraw/zinc/46/10/31/1065461031.db2.gz CPBHURYBCSEZCQ-YMPZKCBVSA-N 1 1 471.715 4.661 20 0 JJADMO C[C@@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H]1CCCOC1)[N@@H+](C)Cc1ccccc1 ZINC001360513681 1065461553 /nfs/dbraw/zinc/46/15/53/1065461553.db2.gz FOMQYGFZNFULMH-DZWGLGNASA-N 1 1 497.728 4.970 20 0 JJADMO C[C@H](CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC[NH+]1CCOCC1)c1nccs1 ZINC001360520606 1065493850 /nfs/dbraw/zinc/49/38/50/1065493850.db2.gz JRICMTWHWNQCSQ-MRXNPFEDSA-N 1 1 495.480 4.671 20 0 JJADMO CC(C)N(C(=O)c1csc(COc2ccc(F)cc2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001437026787 1065498645 /nfs/dbraw/zinc/49/86/45/1065498645.db2.gz GSJFBOALNBAAOW-OAQYLSRUSA-N 1 1 453.583 4.986 20 0 JJADMO C[C@H](CN(C)c1nnc(COc2ccccc2F)n1C[C@@H]1[N@@H+](C)CCCC1(C)C)c1nccs1 ZINC001360529284 1065508988 /nfs/dbraw/zinc/50/89/88/1065508988.db2.gz FPGOSJHVPHPDHI-NQIIRXRSSA-N 1 1 486.661 4.813 20 0 JJADMO C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001360535211 1065516617 /nfs/dbraw/zinc/51/66/17/1065516617.db2.gz AXTITDWUBQQYIC-YLJYHZDGSA-N 1 1 489.064 4.575 20 0 JJADMO C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001360535209 1065516677 /nfs/dbraw/zinc/51/66/77/1065516677.db2.gz AXTITDWUBQQYIC-PXNSSMCTSA-N 1 1 489.064 4.575 20 0 JJADMO C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccccn1)[N@@H+](C)Cc1ccccc1 ZINC001360536071 1065518464 /nfs/dbraw/zinc/51/84/64/1065518464.db2.gz TUIRWOVITRUTCE-SFHVURJKSA-N 1 1 494.441 4.588 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCCC3(CCCC3)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001545905451 1065519046 /nfs/dbraw/zinc/51/90/46/1065519046.db2.gz BJSZVQRPUHGVMY-JOCHJYFZSA-N 1 1 472.722 4.869 20 0 JJADMO CCC[N@@H+](Cc1ccccc1)Cc1ccc(NC(=O)/C=C\c2ccc(S(C)(=O)=O)o2)cc1 ZINC001437229471 1065523092 /nfs/dbraw/zinc/52/30/92/1065523092.db2.gz XCKWFIQCERSEOE-SQFISAMPSA-N 1 1 452.576 4.747 20 0 JJADMO C[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC=C(C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001360540642 1065526186 /nfs/dbraw/zinc/52/61/86/1065526186.db2.gz HRJVEDKXAXJBLE-CQSZACIVSA-N 1 1 490.357 4.671 20 0 JJADMO C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001360540767 1065526352 /nfs/dbraw/zinc/52/63/52/1065526352.db2.gz IBIVSTBAAWQTPR-GOSISDBHSA-N 1 1 479.591 4.742 20 0 JJADMO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001437278211 1065529090 /nfs/dbraw/zinc/52/90/90/1065529090.db2.gz OXTCZSYWZQOFIJ-QVKFZJNVSA-N 1 1 451.792 4.651 20 0 JJADMO C[C@H](Cn1c(-c2ccccc2Cl)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360544834 1065534978 /nfs/dbraw/zinc/53/49/78/1065534978.db2.gz QXNQLQAIBGHYDO-GUDVDZBRSA-N 1 1 489.064 4.527 20 0 JJADMO C[C@H](Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360544835 1065535031 /nfs/dbraw/zinc/53/50/31/1065535031.db2.gz QXNQLQAIBGHYDO-QRVBRYPASA-N 1 1 489.064 4.527 20 0 JJADMO C[C@H](Cn1c(-c2cccnc2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1)[N@@H+](C)C1CC1 ZINC001360549791 1065541887 /nfs/dbraw/zinc/54/18/87/1065541887.db2.gz ZDDHFOHCMBSMEB-IERDGZPVSA-N 1 1 487.421 4.732 20 0 JJADMO C[C@H](Cn1c(C2CC2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N(C)C(=O)OC(C)(C)C ZINC001360555983 1065546322 /nfs/dbraw/zinc/54/63/22/1065546322.db2.gz ZXRSRFQLOGPEDR-OFNKIYASSA-N 1 1 482.673 4.512 20 0 JJADMO C[C@@H](Cn1c(C2CCCC2)nnc1N(C)Cc1csc(Br)c1)[N@@H+](C)C1CC1 ZINC001360558660 1065547984 /nfs/dbraw/zinc/54/79/84/1065547984.db2.gz BASIAGRXSUTPLB-AWEZNQCLSA-N 1 1 452.466 4.879 20 0 JJADMO C[C@@H](Cn1c(C2CCCC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360560276 1065550321 /nfs/dbraw/zinc/55/03/21/1065550321.db2.gz UIPPYTWSDYIXLI-URXFXBBRSA-N 1 1 496.700 4.902 20 0 JJADMO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC=C(Br)C1)[N@@H+](C)Cc1ccccc1 ZINC001360568721 1065560707 /nfs/dbraw/zinc/56/07/07/1065560707.db2.gz FWIMUDQRWJELEP-GOSISDBHSA-N 1 1 460.464 4.876 20 0 JJADMO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)[N@@H+](C)C1CC1 ZINC001360570994 1065564953 /nfs/dbraw/zinc/56/49/53/1065564953.db2.gz XVZNLBFDFIJBIU-UYAOXDASSA-N 1 1 455.622 4.588 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)c2ccc(F)cc2)CC1 ZINC001360575020 1065570531 /nfs/dbraw/zinc/57/05/31/1065570531.db2.gz SCCHGCKXXQPYOP-NRFANRHFSA-N 1 1 464.633 4.763 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)c2ccc(F)cc2)CC1 ZINC001360575022 1065570710 /nfs/dbraw/zinc/57/07/10/1065570710.db2.gz SCCHGCKXXQPYOP-OAQYLSRUSA-N 1 1 464.633 4.763 20 0 JJADMO C[C@H](Cn1c(COc2ccc(Br)cc2)nnc1N(C)CC1CC(F)(F)C1)[N@@H+](C)C1CC1 ZINC001360584312 1065584302 /nfs/dbraw/zinc/58/43/02/1065584302.db2.gz VFZBCJVVFBTMBK-OAHLLOKOSA-N 1 1 498.416 4.584 20 0 JJADMO C[C@@H](Cn1c(N2CCC[C@H](Oc3ncccc3F)C2)nnc1C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001360587485 1065589044 /nfs/dbraw/zinc/58/90/44/1065589044.db2.gz QHJPZIMEMFFGFU-UNMCSNQZSA-N 1 1 480.632 4.678 20 0 JJADMO C[C@@H](Cn1c(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nnc1C(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001360588359 1065592196 /nfs/dbraw/zinc/59/21/96/1065592196.db2.gz ZRIOZQPJXGOBPG-SFTDATJTSA-N 1 1 484.689 4.542 20 0 JJADMO CC(C)[C@H]1CN(C(=O)Cc2c(F)ccc(Br)c2F)CC[N@H+]1Cc1ccccc1 ZINC001437726289 1065596537 /nfs/dbraw/zinc/59/65/37/1065596537.db2.gz JSSYDBQZRHGJPL-HXUWFJFHSA-N 1 1 451.355 4.639 20 0 JJADMO C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001360591244 1065598529 /nfs/dbraw/zinc/59/85/29/1065598529.db2.gz ZNDBFFPUOCINLQ-DYXWJJEUSA-N 1 1 474.694 4.705 20 0 JJADMO Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001437901577 1065628473 /nfs/dbraw/zinc/62/84/73/1065628473.db2.gz KUHCPPLJCXVOFI-HXUWFJFHSA-N 1 1 457.405 4.729 20 0 JJADMO CC(C)[C@H]1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001360605604 1065630829 /nfs/dbraw/zinc/63/08/29/1065630829.db2.gz BANKLNPAVDGWNA-RPWUZVMVSA-N 1 1 497.728 4.995 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001360607078 1065633642 /nfs/dbraw/zinc/63/36/42/1065633642.db2.gz HKRUPOQBBWENJT-IBGZPJMESA-N 1 1 491.080 4.680 20 0 JJADMO C[NH+](C)[C@@H](C(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1)c1ccc(Cl)cc1 ZINC001360609457 1065640660 /nfs/dbraw/zinc/64/06/60/1065640660.db2.gz AJXYRKMYYXJFAK-HXUWFJFHSA-N 1 1 452.357 4.613 20 0 JJADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NCC/C=C\c3ccc(Br)cc3)cc2)C[C@@H](C)O1 ZINC001438016832 1065650881 /nfs/dbraw/zinc/65/08/81/1065650881.db2.gz PFGKTYWMSMZSCN-JZPMYCAGSA-N 1 1 457.412 4.892 20 0 JJADMO C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(C2CCC2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001360611995 1065651001 /nfs/dbraw/zinc/65/10/01/1065651001.db2.gz WFTUMJNUZLLUSZ-XUZZJYLKSA-N 1 1 496.700 4.807 20 0 JJADMO C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)nnc1C(C)(C)C ZINC001360614999 1065661984 /nfs/dbraw/zinc/66/19/84/1065661984.db2.gz PRCPARQPRKVGAK-OALUTQOASA-N 1 1 490.718 4.681 20 0 JJADMO CC1(C)C[N@@H+](Cc2ccccc2)C(C)(C)CN1C(=O)c1cn(-c2cccc(Cl)c2F)nn1 ZINC001438064540 1065664029 /nfs/dbraw/zinc/66/40/29/1065664029.db2.gz XYYMZYMFEVPYAY-UHFFFAOYSA-N 1 1 455.965 4.575 20 0 JJADMO CC(F)(F)CCn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001360630565 1065678965 /nfs/dbraw/zinc/67/89/65/1065678965.db2.gz PXOJVPFXAWSSMY-UHFFFAOYSA-N 1 1 463.573 4.827 20 0 JJADMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001360636920 1065696807 /nfs/dbraw/zinc/69/68/07/1065696807.db2.gz NQPFSTVSFLXJKB-FKBYEOEOSA-N 1 1 490.737 4.970 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C ZINC001438263392 1065704323 /nfs/dbraw/zinc/70/43/23/1065704323.db2.gz QRGTWFFTFDPEOC-VHQIHPTKSA-N 1 1 469.670 4.827 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)[C@H](C[C@@H]2CCCO2)C(F)(F)F)cc1 ZINC001438334618 1065711321 /nfs/dbraw/zinc/71/13/21/1065711321.db2.gz MGDLYNSQUUSVFF-NEWJYFPISA-N 1 1 476.539 4.527 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC001438334035 1065711578 /nfs/dbraw/zinc/71/15/78/1065711578.db2.gz RXBAHDQESBGHIF-RHSMWYFYSA-N 1 1 455.318 4.966 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001438338486 1065712105 /nfs/dbraw/zinc/71/21/05/1065712105.db2.gz WYYBHQFNNSHASY-QDSKXPNFSA-N 1 1 457.659 4.734 20 0 JJADMO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C3CC3)n2CCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001360641407 1065713565 /nfs/dbraw/zinc/71/35/65/1065713565.db2.gz HSIHVVAFGGMCFA-OAQYLSRUSA-N 1 1 496.700 4.807 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)n1CC1=CCCCC1 ZINC001545916677 1065730440 /nfs/dbraw/zinc/73/04/40/1065730440.db2.gz LMJVPQDTEXVJBP-NRFANRHFSA-N 1 1 494.684 4.589 20 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C[C@@H](NC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360711684 1065743850 /nfs/dbraw/zinc/74/38/50/1065743850.db2.gz LPEHLCHRCSGPMB-GUXCAODWSA-N 1 1 453.435 4.880 20 0 JJADMO CCc1nnc(N2CCC[C@@H]2c2ccc(OC)cc2OC)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001546510659 1065750033 /nfs/dbraw/zinc/75/00/33/1065750033.db2.gz KAFWTEHXBDBJLC-ZFGGDYGUSA-N 1 1 469.674 4.957 20 0 JJADMO C[C@H]1C[C@@H](N(C)C(=O)c2cnnn2-c2cc(Cl)ccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC001360734730 1065762510 /nfs/dbraw/zinc/76/25/10/1065762510.db2.gz CRVPLJMNCZAIAZ-LPHOPBHVSA-N 1 1 458.393 4.699 20 0 JJADMO C[C@@H]1C[C@@H](N(C)C(=O)CCCCCNC(=O)NC2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001360735349 1065763823 /nfs/dbraw/zinc/76/38/23/1065763823.db2.gz PKSBZOVTDLPYOW-RDGATRHJSA-N 1 1 456.675 4.690 20 0 JJADMO C[C@@H]1C[C@H](N(C)C(=O)CCCCCNC(=O)NC2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001360735348 1065764034 /nfs/dbraw/zinc/76/40/34/1065764034.db2.gz PKSBZOVTDLPYOW-RCZVLFRGSA-N 1 1 456.675 4.690 20 0 JJADMO C[C@@H]1C[C@H](N(C)C(=O)Cc2noc3ccc(Br)cc32)CC[N@H+]1Cc1ccccc1 ZINC001360735396 1065764102 /nfs/dbraw/zinc/76/41/02/1065764102.db2.gz RDPPSQANBKCLLE-VQIMIIECSA-N 1 1 456.384 4.644 20 0 JJADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@H]2CCSC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360736752 1065765813 /nfs/dbraw/zinc/76/58/13/1065765813.db2.gz HAGWCZANNQZAKY-QUCCMNQESA-N 1 1 461.651 4.621 20 0 JJADMO CCOC(=O)c1csc(CC2CCN(C(=O)c3ccc(C[N@@H+](CC)C(C)C)cc3)CC2)n1 ZINC001438922980 1065767377 /nfs/dbraw/zinc/76/73/77/1065767377.db2.gz SPWQQYXLLHXEMA-UHFFFAOYSA-N 1 1 457.640 4.645 20 0 JJADMO CO[C@@H](C(=O)N(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc(Br)s1 ZINC001438987719 1065774315 /nfs/dbraw/zinc/77/43/15/1065774315.db2.gz UVEOJGCDRQMIMI-FXAWDEMLSA-N 1 1 451.430 4.711 20 0 JJADMO C[NH+](C)[C@H](C(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)c2ccccc21)c1cccc(Cl)c1 ZINC001439019605 1065778115 /nfs/dbraw/zinc/77/81/15/1065778115.db2.gz UXRILHMNNWBDQM-AVRDEDQJSA-N 1 1 458.002 4.988 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001360743460 1065779217 /nfs/dbraw/zinc/77/92/17/1065779217.db2.gz FJHXEKDQSVXZAP-WOJBJXKFSA-N 1 1 455.578 4.874 20 0 JJADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H]1CCCS1 ZINC001360744804 1065783148 /nfs/dbraw/zinc/78/31/48/1065783148.db2.gz AWZXCWDBHWYZHW-WIYYLYMNSA-N 1 1 461.651 4.763 20 0 JJADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001360749996 1065793578 /nfs/dbraw/zinc/79/35/78/1065793578.db2.gz RWZSAKZMHVTKEF-GOHWNWGWSA-N 1 1 473.637 4.683 20 0 JJADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC(F)F)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001360754154 1065802900 /nfs/dbraw/zinc/80/29/00/1065802900.db2.gz OXWJCXOAPHAEPY-JKSUJKDBSA-N 1 1 464.948 4.622 20 0 JJADMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1cccc(NC(=O)C2CCCCC2)c1 ZINC001439268125 1065806996 /nfs/dbraw/zinc/80/69/96/1065806996.db2.gz AKOLLEWGFIFMOZ-DHIUTWEWSA-N 1 1 473.539 4.998 20 0 JJADMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1cccc(NC(=O)C2CCCCC2)c1 ZINC001439268125 1065807001 /nfs/dbraw/zinc/80/70/01/1065807001.db2.gz AKOLLEWGFIFMOZ-DHIUTWEWSA-N 1 1 473.539 4.998 20 0 JJADMO O=C(Cc1c[nH]c2cc(Br)ccc12)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001439272733 1065808559 /nfs/dbraw/zinc/80/85/59/1065808559.db2.gz KMXGVAFYIFYOER-UYAOXDASSA-N 1 1 480.328 4.652 20 0 JJADMO O=C(Cc1c[nH]c2cc(Br)ccc12)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001439272733 1065808576 /nfs/dbraw/zinc/80/85/76/1065808576.db2.gz KMXGVAFYIFYOER-UYAOXDASSA-N 1 1 480.328 4.652 20 0 JJADMO CCOc1cc(C(=O)OC)ccc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001439357031 1065819241 /nfs/dbraw/zinc/81/92/41/1065819241.db2.gz NAQBNCUFEXZRPN-FUFSCUOVSA-N 1 1 472.585 4.900 20 0 JJADMO COC(=O)c1cc(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)ccc1SC ZINC001439397630 1065824417 /nfs/dbraw/zinc/82/44/17/1065824417.db2.gz FZUBOBWVFYHARK-NRFANRHFSA-N 1 1 452.498 4.588 20 0 JJADMO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCCC(C)(C)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001360759214 1065828757 /nfs/dbraw/zinc/82/87/57/1065828757.db2.gz YWYRHSIWHGAKFN-TZIWHRDSSA-N 1 1 476.065 4.545 20 0 JJADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@H]2C)n1CC[N@H+]1CCC[C@H]1C ZINC001360760708 1065834013 /nfs/dbraw/zinc/83/40/13/1065834013.db2.gz ROWGSMUCONFMNS-CEXWTWQISA-N 1 1 462.038 4.560 20 0 JJADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360762851 1065841602 /nfs/dbraw/zinc/84/16/02/1065841602.db2.gz LXUFFOQSOSFKOS-ZCNNSNEGSA-N 1 1 476.065 4.807 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)CC2CCOCC2)C1 ZINC001360765016 1065847481 /nfs/dbraw/zinc/84/74/81/1065847481.db2.gz JLQAHLNPLHCJHD-IFMALSPDSA-N 1 1 473.637 4.540 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)C[C@H]2CCCCO2)C1 ZINC001360765303 1065849189 /nfs/dbraw/zinc/84/91/89/1065849189.db2.gz OYGIJGAJAVVGBK-BHDDXSALSA-N 1 1 473.637 4.683 20 0 JJADMO C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccco2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360765416 1065850025 /nfs/dbraw/zinc/85/00/25/1065850025.db2.gz QOOGKPVNFYRCNR-IBGZPJMESA-N 1 1 455.578 4.909 20 0 JJADMO C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@@H]2CCCCO2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001360765559 1065850571 /nfs/dbraw/zinc/85/05/71/1065850571.db2.gz TWFYLAWXFFCFDS-FSSWDIPSSA-N 1 1 473.637 4.827 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)OC(C)(C)C ZINC001439699707 1065860796 /nfs/dbraw/zinc/86/07/96/1065860796.db2.gz DTSYRNJVURLEGI-VNSJUHMKSA-N 1 1 477.649 4.842 20 0 JJADMO C[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(Cl)=C(Cl)C1)[N@@H+](C)C1CC1 ZINC001360769618 1065862351 /nfs/dbraw/zinc/86/23/51/1065862351.db2.gz LDSINTJOBHYKRH-CABCVRRESA-N 1 1 468.404 4.939 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCSC2)CC1 ZINC001360769720 1065863205 /nfs/dbraw/zinc/86/32/05/1065863205.db2.gz MLXDJFFBMHQPKM-PZJWPPBQSA-N 1 1 475.678 4.867 20 0 JJADMO COCCOCc1ccc(C(=O)N[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC001439758829 1065871905 /nfs/dbraw/zinc/87/19/05/1065871905.db2.gz VGUWEWDQFVAKPM-LMSSTIIKSA-N 1 1 458.602 4.638 20 0 JJADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001360774481 1065874011 /nfs/dbraw/zinc/87/40/11/1065874011.db2.gz NJXGVQUMAKFLSE-SQNIBIBYSA-N 1 1 469.527 4.820 20 0 JJADMO C[C@@H](OCCCn1c(Cc2ccccn2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)c1ccccc1 ZINC001360780227 1065888942 /nfs/dbraw/zinc/88/89/42/1065888942.db2.gz FYIKMJONBYOGOU-HSZRJFAPSA-N 1 1 476.669 4.742 20 0 JJADMO CCOc1cc(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc(OCC)c1OCC ZINC001440045519 1065906658 /nfs/dbraw/zinc/90/66/58/1065906658.db2.gz LDZPMIVKXHJFCJ-YFNKSVMNSA-N 1 1 466.622 4.913 20 0 JJADMO CC(C)(C)[C@H]1CN(c2nnc(CCCc3ccccc3)n2CC[N@H+]2CCCC(C)(C)C2)CCO1 ZINC001360808286 1065921578 /nfs/dbraw/zinc/92/15/78/1065921578.db2.gz JHTFBIOFPYVZMX-XMMPIXPASA-N 1 1 467.702 4.827 20 0 JJADMO CC1(C)CCC[N@@H+](CCn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@H](C(F)F)C2)C1 ZINC001360808854 1065922606 /nfs/dbraw/zinc/92/26/06/1065922606.db2.gz VUGCBPULWNQRFK-KRWDZBQOSA-N 1 1 452.981 4.597 20 0 JJADMO COc1ccccc1[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CC(C)C)N1CCCC1 ZINC001440386197 1065936012 /nfs/dbraw/zinc/93/60/12/1065936012.db2.gz JIIQFBAHSALKNM-IEUSDUHPSA-N 1 1 463.666 4.743 20 0 JJADMO COc1ccccc1[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CC(C)C)N1CCCC1 ZINC001440386197 1065936021 /nfs/dbraw/zinc/93/60/21/1065936021.db2.gz JIIQFBAHSALKNM-IEUSDUHPSA-N 1 1 463.666 4.743 20 0 JJADMO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)n[nH]1)c1ccccc1Cl ZINC001440386599 1065936265 /nfs/dbraw/zinc/93/62/65/1065936265.db2.gz ZSVAIUYJKCFSOZ-LJQANCHMSA-N 1 1 452.864 4.661 20 0 JJADMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cc(Br)sc2Br)CC1 ZINC001440436755 1065941009 /nfs/dbraw/zinc/94/10/09/1065941009.db2.gz NSFHTJRAWWJCRK-UHFFFAOYSA-N 1 1 458.219 4.540 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)C1 ZINC001440646077 1065958110 /nfs/dbraw/zinc/95/81/10/1065958110.db2.gz MBXRMHVDSNLRSN-MHZLTWQESA-N 1 1 451.611 4.521 20 0 JJADMO Cc1nc(-c2ccc(C)c(C(F)(F)F)c2)sc1C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001440673958 1065962297 /nfs/dbraw/zinc/96/22/97/1065962297.db2.gz GVSRFARAZBNOAF-QGZVFWFLSA-N 1 1 455.546 4.532 20 0 JJADMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OCc1ccccc1Cl ZINC001440702918 1065967939 /nfs/dbraw/zinc/96/79/39/1065967939.db2.gz FQJFKEBWLKGBQQ-JOCHJYFZSA-N 1 1 450.966 4.932 20 0 JJADMO CC1=C(Br)CN(c2nnc([C@@H]3CCCCO3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001360854458 1065973510 /nfs/dbraw/zinc/97/35/10/1065973510.db2.gz ZSYYBYOATUHRSV-ICSRJNTNSA-N 1 1 466.468 4.663 20 0 JJADMO CC(C)(C)OC(=O)NCc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001440742453 1065974256 /nfs/dbraw/zinc/97/42/56/1065974256.db2.gz PNKNNSMKVXLUBG-QFIPXVFZSA-N 1 1 458.002 4.932 20 0 JJADMO Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCCC[N@@H+]2CCCC[C@@H]2C)c1C ZINC001360862107 1065979794 /nfs/dbraw/zinc/97/97/94/1065979794.db2.gz FTRSJZCWJUYCFM-QFIPXVFZSA-N 1 1 489.668 4.686 20 0 JJADMO Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCCC[C@@H]2C)c1C ZINC001360862427 1065980673 /nfs/dbraw/zinc/98/06/73/1065980673.db2.gz QNEGHFFBDUXYGA-FQEVSTJZSA-N 1 1 454.663 4.532 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2C[C@@H]2CCC[N@H+]2CCCO)c1C ZINC001360865894 1065986562 /nfs/dbraw/zinc/98/65/62/1065986562.db2.gz JYWDIPGQBVTRLT-KTJVCJKDSA-N 1 1 483.701 4.897 20 0 JJADMO Cc1noc(C)c1CN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCn1cc[nH+]c1C ZINC001360866229 1065988086 /nfs/dbraw/zinc/98/80/86/1065988086.db2.gz PAVSIDAJYULIGG-NRFANRHFSA-N 1 1 477.613 4.871 20 0 JJADMO COc1cc(Cl)c(Br)cc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001440884905 1065989900 /nfs/dbraw/zinc/98/99/00/1065989900.db2.gz ZTTWCCBTHZXNPL-UHFFFAOYSA-N 1 1 455.755 4.598 20 0 JJADMO COc1cc(Cl)c(Br)cc1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001440884905 1065989913 /nfs/dbraw/zinc/98/99/13/1065989913.db2.gz ZTTWCCBTHZXNPL-UHFFFAOYSA-N 1 1 455.755 4.598 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC2CC(F)(F)C2)c1C ZINC001360868424 1065992181 /nfs/dbraw/zinc/99/21/81/1065992181.db2.gz DWYNNIAQSZENER-SVFBPWRDSA-N 1 1 491.627 4.626 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC2CC(F)(F)C2)c1C ZINC001360868424 1065992196 /nfs/dbraw/zinc/99/21/96/1065992196.db2.gz DWYNNIAQSZENER-SVFBPWRDSA-N 1 1 491.627 4.626 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3C[C@H](C)OC4(CCOCC4)C3)n2CCC[N@H+](C)C(C)C)c1C ZINC001360868924 1065995017 /nfs/dbraw/zinc/99/50/17/1065995017.db2.gz CGLDXYOREJFFGX-UPVQGACJSA-N 1 1 499.700 4.540 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3cnccn3)n2C[C@H]2CCC[N@H+](C(C)C)C2)c1C ZINC001360869086 1065996076 /nfs/dbraw/zinc/99/60/76/1065996076.db2.gz MAKIQCLFFKSXQQ-PKTZIBPZSA-N 1 1 477.657 4.582 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3nccs3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC001360869706 1065998668 /nfs/dbraw/zinc/99/86/68/1065998668.db2.gz QKLULLWMBFLAGZ-RZUBCFFCSA-N 1 1 498.697 4.627 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccon3)n2CCC[N@H+]2CCCC[C@H]2C)c1C ZINC001360869888 1066000143 /nfs/dbraw/zinc/00/01/43/1066000143.db2.gz RQGPWQPQPULWLN-IFMALSPDSA-N 1 1 466.630 4.924 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3C[C@H]4CCC[N@H+]4C[C@@H]3C)n2CCOCCC(C)C)c1C ZINC001360870022 1066000772 /nfs/dbraw/zinc/00/07/72/1066000772.db2.gz LYAKDBBABPHZQQ-QPTUXGOLSA-N 1 1 469.674 4.771 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H](C)C3CCCCC3)n2C[C@@]2(O)CC[N@@H+](C)C2)c1C ZINC001360871660 1066006080 /nfs/dbraw/zinc/00/60/80/1066006080.db2.gz ZAACFVGHQRIJJO-OREGWCPLSA-N 1 1 469.674 4.507 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCC[N@H+](C4CCCC4)CC3)n2C[C@](C)(O)C(C)C)c1C ZINC001360873253 1066008434 /nfs/dbraw/zinc/00/84/34/1066008434.db2.gz DFVFPLFZJMLJLL-LXFBAYGMSA-N 1 1 483.701 4.897 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H]2CCOC[C@@H]2C)c1C ZINC001360873814 1066010785 /nfs/dbraw/zinc/01/07/85/1066010785.db2.gz IGBPNTOKUXIXTR-QPTUXGOLSA-N 1 1 469.674 4.628 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@]2(O)CCC[C@@H]2C)c1C ZINC001360873982 1066011831 /nfs/dbraw/zinc/01/18/31/1066011831.db2.gz JBDHCMWADAHEMV-TWLCBMPQSA-N 1 1 483.701 4.897 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCCC(C)(C)C3)n2CC[N@@H+]2CCOC(C)(C)C2)c1C ZINC001360874599 1066014492 /nfs/dbraw/zinc/01/44/92/1066014492.db2.gz NMFLRUIPPYMTAF-JOCHJYFZSA-N 1 1 469.674 4.772 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCCC(C)(C)C3)n2CC[N@H+]2CCOC(C)(C)C2)c1C ZINC001360874599 1066014503 /nfs/dbraw/zinc/01/45/03/1066014503.db2.gz NMFLRUIPPYMTAF-JOCHJYFZSA-N 1 1 469.674 4.772 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCCCC1 ZINC001441220161 1066016279 /nfs/dbraw/zinc/01/62/79/1066016279.db2.gz BMEVUYKMWUPFQS-BJKOFHAPSA-N 1 1 457.659 4.879 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCSc3c4ccccc4[nH]c3C2)n1CC[N@@H+](C)[C@@H](C)CC ZINC001545939585 1066018127 /nfs/dbraw/zinc/01/81/27/1066018127.db2.gz GCKJQEDWQWKPBO-SFHVURJKSA-N 1 1 497.713 4.520 20 0 JJADMO CN1CC[N@@H+](CCCNC(=O)c2cc3ccccc3cc2OC(F)F)[C@H](c2ccccc2)C1 ZINC001441240258 1066018529 /nfs/dbraw/zinc/01/85/29/1066018529.db2.gz IJTCVEVPVOOEQW-QHCPKHFHSA-N 1 1 453.533 4.550 20 0 JJADMO C[N@@H+]1CCN(CCCNC(=O)c2cc3ccccc3cc2OC(F)F)[C@H](c2ccccc2)C1 ZINC001441240258 1066018538 /nfs/dbraw/zinc/01/85/38/1066018538.db2.gz IJTCVEVPVOOEQW-QHCPKHFHSA-N 1 1 453.533 4.550 20 0 JJADMO C[N@H+]1CCN(CCCNC(=O)c2cc3ccccc3cc2OC(F)F)[C@H](c2ccccc2)C1 ZINC001441240258 1066018547 /nfs/dbraw/zinc/01/85/47/1066018547.db2.gz IJTCVEVPVOOEQW-QHCPKHFHSA-N 1 1 453.533 4.550 20 0 JJADMO CC[C@@H](CNC(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1)[N@H+]1CCc2ccccc2C1 ZINC001441244681 1066019764 /nfs/dbraw/zinc/01/97/64/1066019764.db2.gz RPACTQPALAVEIG-FQEVSTJZSA-N 1 1 452.002 4.611 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2CCCC(F)(F)F)c1C ZINC001360876851 1066021597 /nfs/dbraw/zinc/02/15/97/1066021597.db2.gz CBTQLMAGDWORLN-LEWJYISDSA-N 1 1 495.590 4.678 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2CC2CC(F)(F)C2)c1C ZINC001360877085 1066022144 /nfs/dbraw/zinc/02/21/44/1066022144.db2.gz HPRSTWJTPKXYEZ-NRFANRHFSA-N 1 1 491.627 4.627 20 0 JJADMO CCN1CC[NH+](Cc2ccc(NC(=O)c3cc4cc(C)cc(Br)c4o3)cc2)CC1 ZINC001441311518 1066025041 /nfs/dbraw/zinc/02/50/41/1066025041.db2.gz MOVDMOQZMMPGTR-UHFFFAOYSA-N 1 1 456.384 4.894 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+]([C@H](C)c4ccsc4)CC3)n2CC(C)(C)O)c1C ZINC001360878490 1066026029 /nfs/dbraw/zinc/02/60/29/1066026029.db2.gz VSXXTVOKBLARQP-NHCUHLMSSA-N 1 1 483.682 4.751 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)CCCc3ccccc3Br)cc2)C[C@H](C)O1 ZINC001441317399 1066026611 /nfs/dbraw/zinc/02/66/11/1066026611.db2.gz GHNGGNSLOHUPMJ-KDURUIRLSA-N 1 1 459.428 4.697 20 0 JJADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)C(F)(F)c2cc(Cl)ccc2Cl)CC1 ZINC001441319100 1066027268 /nfs/dbraw/zinc/02/72/68/1066027268.db2.gz WITCCXDSFLCQRQ-UHFFFAOYSA-N 1 1 456.364 4.539 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCOC4(CCCC4)C3)n2CCC[N@H+](C)C(C)C)c1C ZINC001360878789 1066027398 /nfs/dbraw/zinc/02/73/98/1066027398.db2.gz AEKOQCMSFJDQCK-HSZRJFAPSA-N 1 1 469.674 4.915 20 0 JJADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc3cncc(Br)c3n2)cc1 ZINC001441355851 1066032931 /nfs/dbraw/zinc/03/29/31/1066032931.db2.gz BXSIDIVPYVVXGJ-INIZCTEOSA-N 1 1 453.384 4.697 20 0 JJADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC12CCCC2 ZINC001441357304 1066033117 /nfs/dbraw/zinc/03/31/17/1066033117.db2.gz PZSGCGJWJSZTBC-NFBKMPQASA-N 1 1 455.643 4.857 20 0 JJADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)c3ccc(-c4ccc(C(C)(C)C)cc4)o3)cc2)CC1 ZINC001441356858 1066033317 /nfs/dbraw/zinc/03/33/17/1066033317.db2.gz DSNHDIJCWYRRKK-UHFFFAOYSA-N 1 1 459.590 4.562 20 0 JJADMO Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)O2 ZINC001441358289 1066033688 /nfs/dbraw/zinc/03/36/88/1066033688.db2.gz SQSODEUGEDRLRU-WRHNGFHOSA-N 1 1 450.623 4.949 20 0 JJADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)COCCc2ccc(Br)cc2)cc1 ZINC001441361180 1066034473 /nfs/dbraw/zinc/03/44/73/1066034473.db2.gz XZQXIFQUKOBNDP-IBGZPJMESA-N 1 1 459.428 4.699 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3ccc(CNC(=O)OC(C)(C)C)o3)cc2)C1 ZINC001441461497 1066042640 /nfs/dbraw/zinc/04/26/40/1066042640.db2.gz JFPXDNHHTRBADO-KDURUIRLSA-N 1 1 455.599 4.712 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCC(C)=C(C)C3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC001360891720 1066043186 /nfs/dbraw/zinc/04/31/86/1066043186.db2.gz CZMWKAYGCFZWIP-QHCPKHFHSA-N 1 1 468.049 4.643 20 0 JJADMO CC1=C(C)CN(c2nnc(COc3ccc(Br)cc3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001360891904 1066043510 /nfs/dbraw/zinc/04/35/10/1066043510.db2.gz GINTYOICLCLZGN-SFHVURJKSA-N 1 1 474.447 4.649 20 0 JJADMO Nc1ccc(Br)cc1C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001441474188 1066044472 /nfs/dbraw/zinc/04/44/72/1066044472.db2.gz PSXPUAFWERJAPJ-HXUWFJFHSA-N 1 1 456.409 4.622 20 0 JJADMO Nc1ccc(Br)cc1C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001441474188 1066044483 /nfs/dbraw/zinc/04/44/83/1066044483.db2.gz PSXPUAFWERJAPJ-HXUWFJFHSA-N 1 1 456.409 4.622 20 0 JJADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)cc1 ZINC001441561648 1066051096 /nfs/dbraw/zinc/05/10/96/1066051096.db2.gz OJFUUUMZAAENAZ-HUBZVCNYSA-N 1 1 454.574 4.866 20 0 JJADMO Cc1nc(Cn2c(CC(C)(C)C)nnc2N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)sc1C ZINC001360904696 1066058424 /nfs/dbraw/zinc/05/84/24/1066058424.db2.gz MVWZZVSCDBYREN-UHFFFAOYSA-N 1 1 470.662 4.840 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001545944355 1066066790 /nfs/dbraw/zinc/06/67/90/1066066790.db2.gz FOOFGTFDACHGMT-XQBPLPMBSA-N 1 1 494.675 4.721 20 0 JJADMO COc1cc([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)ccc1OCc1ccccc1 ZINC001441874119 1066076183 /nfs/dbraw/zinc/07/61/83/1066076183.db2.gz ZETSSTYCKRMWKA-BWKNWUBXSA-N 1 1 459.590 4.901 20 0 JJADMO COc1cc([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)ccc1OCc1ccccc1 ZINC001441874119 1066076194 /nfs/dbraw/zinc/07/61/94/1066076194.db2.gz ZETSSTYCKRMWKA-BWKNWUBXSA-N 1 1 459.590 4.901 20 0 JJADMO COc1cc([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)ccc1OCc1ccccc1 ZINC001441874123 1066076489 /nfs/dbraw/zinc/07/64/89/1066076489.db2.gz ZETSSTYCKRMWKA-OFVILXPXSA-N 1 1 459.590 4.901 20 0 JJADMO COc1cc([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)ccc1OCc1ccccc1 ZINC001441874123 1066076501 /nfs/dbraw/zinc/07/65/01/1066076501.db2.gz ZETSSTYCKRMWKA-OFVILXPXSA-N 1 1 459.590 4.901 20 0 JJADMO CN(C)c1[nH+]cnc2c1cc(C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl)n2C ZINC001441888056 1066078617 /nfs/dbraw/zinc/07/86/17/1066078617.db2.gz IHNQYLDXOUBEEV-GFCCVEGCSA-N 1 1 450.395 4.573 20 0 JJADMO Cc1c(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCC[N@H+](CC(C)C)C2)cnn1C ZINC001360929606 1066085527 /nfs/dbraw/zinc/08/55/27/1066085527.db2.gz KKADBRZBGROJSO-VXKWHMMOSA-N 1 1 497.663 4.604 20 0 JJADMO Cc1c(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)cnn1C ZINC001360929605 1066085652 /nfs/dbraw/zinc/08/56/52/1066085652.db2.gz KKADBRZBGROJSO-FGZHOGPDSA-N 1 1 497.663 4.604 20 0 JJADMO Cc1c(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)nnn1-c1cccc(Cl)c1 ZINC001442080490 1066090558 /nfs/dbraw/zinc/09/05/58/1066090558.db2.gz QHJLOSGQXCVGER-UHFFFAOYSA-N 1 1 452.002 4.924 20 0 JJADMO CCN(C(=O)c1cc(Nc2nc(C)cc(C)n2)ccc1O)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001442082574 1066091759 /nfs/dbraw/zinc/09/17/59/1066091759.db2.gz ZPKINUGZZDVGAQ-REWPJTCUSA-N 1 1 459.594 4.840 20 0 JJADMO C[C@H]1C[C@@H](N(C)C(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)CC[N@H+]1C ZINC001360933774 1066092042 /nfs/dbraw/zinc/09/20/42/1066092042.db2.gz MKZGGXVSWSPWNC-LPHOPBHVSA-N 1 1 457.500 4.508 20 0 JJADMO Cc1occc1CN(C)c1nnc(-c2ccc(Br)s2)n1CCn1cc[nH+]c1C ZINC001360934977 1066093966 /nfs/dbraw/zinc/09/39/66/1066093966.db2.gz SMHVODMAPHEDNM-UHFFFAOYSA-N 1 1 461.389 4.512 20 0 JJADMO CC(C)[C@H](C(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001442106988 1066094055 /nfs/dbraw/zinc/09/40/55/1066094055.db2.gz OXAANDZPQLDGDB-OHUGHZGNSA-N 1 1 458.622 4.521 20 0 JJADMO CC(C)[C@H](C(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001442106988 1066094067 /nfs/dbraw/zinc/09/40/67/1066094067.db2.gz OXAANDZPQLDGDB-OHUGHZGNSA-N 1 1 458.622 4.521 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC001442109524 1066094148 /nfs/dbraw/zinc/09/41/48/1066094148.db2.gz SLZMVNMSFDCOOF-JRFVFWCSSA-N 1 1 471.439 4.897 20 0 JJADMO CCCOc1nc2ccccc2cc1/C=C/C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001442111769 1066095648 /nfs/dbraw/zinc/09/56/48/1066095648.db2.gz KXNLBMZWQSEMBZ-VIOKTNGOSA-N 1 1 459.590 4.574 20 0 JJADMO CCCOc1nc2ccccc2cc1/C=C/C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001442111769 1066095655 /nfs/dbraw/zinc/09/56/55/1066095655.db2.gz KXNLBMZWQSEMBZ-VIOKTNGOSA-N 1 1 459.590 4.574 20 0 JJADMO Cc1occc1CN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001360944677 1066099463 /nfs/dbraw/zinc/09/94/63/1066099463.db2.gz FKLCZJGGYSDKRL-MSOLQXFVSA-N 1 1 457.569 4.805 20 0 JJADMO Cc1ncsc1CN(C)c1nnc(COc2ccccc2F)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001360949428 1066104259 /nfs/dbraw/zinc/10/42/59/1066104259.db2.gz GOERZEPGUVDSQE-QZTJIDSGSA-N 1 1 472.634 4.518 20 0 JJADMO Cc1ncsc1CN(C)c1nnc(COc2ccccc2F)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001360949448 1066104975 /nfs/dbraw/zinc/10/49/75/1066104975.db2.gz HFVKQBNFGBUGCP-KDURUIRLSA-N 1 1 486.661 4.766 20 0 JJADMO Cc1c(CN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@@H+](C)C2CCCC2)cnn1C ZINC001360949649 1066106247 /nfs/dbraw/zinc/10/62/47/1066106247.db2.gz OACYRSLLIRICML-UHFFFAOYSA-N 1 1 493.700 4.707 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 ZINC001442247383 1066107929 /nfs/dbraw/zinc/10/79/29/1066107929.db2.gz BLTQRRLZQNSXPL-QKLQHJQFSA-N 1 1 452.039 4.779 20 0 JJADMO COc1nc(C(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)cc2ccccc21 ZINC001360951943 1066109147 /nfs/dbraw/zinc/10/91/47/1066109147.db2.gz OLHBTAHDAQZRIQ-LJQANCHMSA-N 1 1 457.496 4.770 20 0 JJADMO O=C(c1ccc(-c2ccc(Cl)cc2)cc1F)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001442347226 1066118624 /nfs/dbraw/zinc/11/86/24/1066118624.db2.gz CONGROPGQOIUJK-UHFFFAOYSA-N 1 1 458.883 4.873 20 0 JJADMO C[C@H](c1ccc2ccccc2c1)N(C(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC001442353229 1066119262 /nfs/dbraw/zinc/11/92/62/1066119262.db2.gz NWWQMFHZYVENET-LJQANCHMSA-N 1 1 451.611 4.881 20 0 JJADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccccc1SCc1nc(C)no1 ZINC001360961414 1066120741 /nfs/dbraw/zinc/12/07/41/1066120741.db2.gz JBEWNVOMYCQLMR-OAQYLSRUSA-N 1 1 450.608 4.655 20 0 JJADMO CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)C1 ZINC001442427258 1066126896 /nfs/dbraw/zinc/12/68/96/1066126896.db2.gz GITPVHZPPZIDAZ-DNVCBOLYSA-N 1 1 458.430 4.750 20 0 JJADMO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(F)cc2nn[nH]c21)[NH+](C)C ZINC001442463133 1066128012 /nfs/dbraw/zinc/12/80/12/1066128012.db2.gz KDIFILRGGAEUEG-LJQANCHMSA-N 1 1 452.361 4.632 20 0 JJADMO Cc1ccsc1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001360973172 1066129636 /nfs/dbraw/zinc/12/96/36/1066129636.db2.gz ZQYHJAUUCUMBAG-UHFFFAOYSA-N 1 1 459.610 4.876 20 0 JJADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C(C)(C)C)n1CC[N@@H+](C)C1CCCCC1 ZINC001360983729 1066144144 /nfs/dbraw/zinc/14/41/44/1066144144.db2.gz HBHALNYGJMKEQI-UHFFFAOYSA-N 1 1 454.663 4.532 20 0 JJADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)C1 ZINC001442666959 1066149404 /nfs/dbraw/zinc/14/94/04/1066149404.db2.gz QHZDTYJSFKHKAX-UEXGIBASSA-N 1 1 457.665 4.956 20 0 JJADMO Cc1[nH+]ccn1CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@H]1CCCCO1 ZINC001360986459 1066152125 /nfs/dbraw/zinc/15/21/25/1066152125.db2.gz DIVULVRGYHJQBT-DENIHFKCSA-N 1 1 487.048 4.899 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)C2CCC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001360986986 1066155962 /nfs/dbraw/zinc/15/59/62/1066155962.db2.gz QHWSGGLMTWOABR-IBGZPJMESA-N 1 1 476.065 4.788 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)C2CCC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001360986986 1066155967 /nfs/dbraw/zinc/15/59/67/1066155967.db2.gz QHWSGGLMTWOABR-IBGZPJMESA-N 1 1 476.065 4.788 20 0 JJADMO COc1ccc(C[C@H](C)NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)cc1OC ZINC001360988192 1066158814 /nfs/dbraw/zinc/15/88/14/1066158814.db2.gz XJLJLOUVWYMWRP-KSNOWIBYSA-N 1 1 450.623 4.689 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@@H](C)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001360989297 1066160488 /nfs/dbraw/zinc/16/04/88/1066160488.db2.gz CGUVVNUJKVLQHS-AAIMPIBUSA-N 1 1 490.092 4.771 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@H](C)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001360989300 1066160521 /nfs/dbraw/zinc/16/05/21/1066160521.db2.gz CGUVVNUJKVLQHS-ZEYPLWLESA-N 1 1 490.092 4.771 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCc3oncc3C2)n1CC[N@H+](C)C(C)C ZINC001360990238 1066166562 /nfs/dbraw/zinc/16/65/62/1066166562.db2.gz RQJLOPNLTUYCRV-SFHVURJKSA-N 1 1 473.021 4.579 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCOCC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001360992292 1066171545 /nfs/dbraw/zinc/17/15/45/1066171545.db2.gz MLAINAIPBXIKHX-VXKWHMMOSA-N 1 1 490.092 4.893 20 0 JJADMO Cc1[nH+]ccn1CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001360992693 1066172323 /nfs/dbraw/zinc/17/23/23/1066172323.db2.gz RFYKNPPVCHOKRS-MOPGFXCFSA-N 1 1 487.048 4.897 20 0 JJADMO CCN(CC)c1ccc2cc(C(=O)NC[C@@H]3CCC[N@@H+](C)[C@H]3c3cccs3)c(=O)oc2c1 ZINC001360996374 1066175167 /nfs/dbraw/zinc/17/51/67/1066175167.db2.gz INIHZIKGWMKHCF-FDDCHVKYSA-N 1 1 453.608 4.514 20 0 JJADMO Cc1cc(C)c(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)c(C)c1 ZINC001361011291 1066193992 /nfs/dbraw/zinc/19/39/92/1066193992.db2.gz OBUVBGILEYNSHL-UHFFFAOYSA-N 1 1 483.060 4.514 20 0 JJADMO Cc1cc(C)c(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)c(C)c1 ZINC001361011291 1066193999 /nfs/dbraw/zinc/19/39/99/1066193999.db2.gz OBUVBGILEYNSHL-UHFFFAOYSA-N 1 1 483.060 4.514 20 0 JJADMO Cc1cc(C)cc(CCn2c(CC(C)(C)C)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)c1 ZINC001361017112 1066205747 /nfs/dbraw/zinc/20/57/47/1066205747.db2.gz JOPCCMYMSVLJRL-UHFFFAOYSA-N 1 1 455.691 4.521 20 0 JJADMO Cc1cc(C)cc(CCn2c([C@H]3CCCCO3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC001361017125 1066205759 /nfs/dbraw/zinc/20/57/59/1066205759.db2.gz KDDORSRWKXBTRQ-RUZDIDTESA-N 1 1 453.675 4.936 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N(C)[C@H]3CCSC3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361017979 1066207466 /nfs/dbraw/zinc/20/74/66/1066207466.db2.gz HEPZGQPFFGLVEQ-ZRBLBEILSA-N 1 1 471.715 4.784 20 0 JJADMO Cc1ccc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CCC[C@H]2C)s1 ZINC001361021084 1066213005 /nfs/dbraw/zinc/21/30/05/1066213005.db2.gz QDNKEAFPRUSTKL-HXUWFJFHSA-N 1 1 453.656 4.965 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N(C)Cc3nccs3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001361021175 1066213943 /nfs/dbraw/zinc/21/39/43/1066213943.db2.gz SGUVNFJJMUTEJV-RXVVDRJESA-N 1 1 468.671 4.687 20 0 JJADMO Cc1cc(N2CCC(NC(=O)[C@@H](Oc3ccc(Cl)cc3)c3ccccc3)CC2)nc(C)[nH+]1 ZINC001361022729 1066219135 /nfs/dbraw/zinc/21/91/35/1066219135.db2.gz AEBLHRGZNLTJEE-DEOSSOPVSA-N 1 1 450.970 4.652 20 0 JJADMO C[C@@]1(c2cccc(Br)c2)C[C@@H]1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC001442834613 1066228942 /nfs/dbraw/zinc/22/89/42/1066228942.db2.gz CUVKKMDQLHAROK-NOZRDPDXSA-N 1 1 455.440 4.894 20 0 JJADMO C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Oc2ccccc2)cc1 ZINC001442854408 1066231358 /nfs/dbraw/zinc/23/13/58/1066231358.db2.gz MTUCCKOLQLIXNL-HXUWFJFHSA-N 1 1 453.583 4.599 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](OCC(C)C)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC001361031278 1066240869 /nfs/dbraw/zinc/24/08/69/1066240869.db2.gz MYJWAEMQMCBJCB-NOZRDPDXSA-N 1 1 483.701 4.846 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC(OC(C)(C)C)CC3)n2CC[N@H+](C)C(C)C)c1 ZINC001361031322 1066241478 /nfs/dbraw/zinc/24/14/78/1066241478.db2.gz OIRREGNGSWVIPP-UHFFFAOYSA-N 1 1 457.663 4.598 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC001361031952 1066244249 /nfs/dbraw/zinc/24/42/49/1066244249.db2.gz GKWCKJODEQDMMO-TZIWHRDSSA-N 1 1 495.590 4.504 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCCCCCC3)n2CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC001361032178 1066245722 /nfs/dbraw/zinc/24/57/22/1066245722.db2.gz MTIWVSJQNWQFCV-XMMPIXPASA-N 1 1 469.674 4.745 20 0 JJADMO CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001442974349 1066248360 /nfs/dbraw/zinc/24/83/60/1066248360.db2.gz QWCHCALKJIMFSW-KRWDZBQOSA-N 1 1 451.355 4.988 20 0 JJADMO C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3C(=O)c3ccc(F)cc3)cc2Cl)CC1 ZINC001442974485 1066249034 /nfs/dbraw/zinc/24/90/34/1066249034.db2.gz SJRPENHRDFVIPB-UHFFFAOYSA-N 1 1 451.929 4.714 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CC[NH+](Cc4cccs4)CC3)n2CCSC(C)C)c1 ZINC001361035268 1066253009 /nfs/dbraw/zinc/25/30/09/1066253009.db2.gz BLGROYGJOBACIF-UHFFFAOYSA-N 1 1 485.723 4.999 20 0 JJADMO O=C(c1c(F)ccc(C(F)(F)F)c1Br)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001454293451 1066265805 /nfs/dbraw/zinc/26/58/05/1066265805.db2.gz BFQXBRIUMHMJMM-KBPBESRZSA-N 1 1 457.265 4.706 20 0 JJADMO O=C(c1c(F)ccc(C(F)(F)F)c1Br)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001454293451 1066265814 /nfs/dbraw/zinc/26/58/14/1066265814.db2.gz BFQXBRIUMHMJMM-KBPBESRZSA-N 1 1 457.265 4.706 20 0 JJADMO O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001443098395 1066267421 /nfs/dbraw/zinc/26/74/21/1066267421.db2.gz PFOXGEMOXBPMFW-PGRDOPGGSA-N 1 1 451.369 4.945 20 0 JJADMO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3c(F)ccc(C(F)(F)F)c3Br)C2)c1 ZINC001454307800 1066268103 /nfs/dbraw/zinc/26/81/03/1066268103.db2.gz CUSZXUURVWRWIL-CQSZACIVSA-N 1 1 459.281 4.920 20 0 JJADMO CCCc1c(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C)c3)C2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001454312455 1066268771 /nfs/dbraw/zinc/26/87/71/1066268771.db2.gz MLEYBLSIVOTLFP-QHCPKHFHSA-N 1 1 459.638 4.830 20 0 JJADMO Cc1sc2ncnc(SCCC(=O)N[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C)c2c1C ZINC001454408324 1066279863 /nfs/dbraw/zinc/27/98/63/1066279863.db2.gz SSXLOACOJXZLET-OXJNMPFZSA-N 1 1 454.665 4.817 20 0 JJADMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 ZINC001443215417 1066281364 /nfs/dbraw/zinc/28/13/64/1066281364.db2.gz MXECEKXHZBFGAD-LJQANCHMSA-N 1 1 459.569 4.746 20 0 JJADMO Cc1cc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@](C)(O)C(C)C)c2ccccc2n1 ZINC001361049822 1066283730 /nfs/dbraw/zinc/28/37/30/1066283730.db2.gz PMTVQVNQXQQOQJ-NDEPHWFRSA-N 1 1 478.685 4.765 20 0 JJADMO Cc1cccc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@H]2C)c1 ZINC001361060152 1066299462 /nfs/dbraw/zinc/29/94/62/1066299462.db2.gz KQPQNCTZJNGSBI-ISKFKSNPSA-N 1 1 496.700 4.822 20 0 JJADMO C[C@@](O)(C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001443358079 1066300488 /nfs/dbraw/zinc/30/04/88/1066300488.db2.gz ORGAGDZFQSGGSS-IRLDBZIGSA-N 1 1 454.920 4.737 20 0 JJADMO C[C@@](O)(C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001443358079 1066300504 /nfs/dbraw/zinc/30/05/04/1066300504.db2.gz ORGAGDZFQSGGSS-IRLDBZIGSA-N 1 1 454.920 4.737 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)C1CCC1 ZINC001443357445 1066300551 /nfs/dbraw/zinc/30/05/51/1066300551.db2.gz OJTDKHSNFRZRKG-LEWJYISDSA-N 1 1 450.023 4.504 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)C1CCC1 ZINC001443357445 1066300564 /nfs/dbraw/zinc/30/05/64/1066300564.db2.gz OJTDKHSNFRZRKG-LEWJYISDSA-N 1 1 450.023 4.504 20 0 JJADMO O=C(CN[C@H](c1ccccc1)C(F)(F)F)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001443359954 1066301387 /nfs/dbraw/zinc/30/13/87/1066301387.db2.gz VCNLBIGULOFKHI-RBBKRZOGSA-N 1 1 453.936 4.704 20 0 JJADMO Cc1cc(CN(C)c2nnc(Cc3ccsc3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)no1 ZINC001361063205 1066302419 /nfs/dbraw/zinc/30/24/19/1066302419.db2.gz GJCNTOKPOAIJLT-HDICACEKSA-N 1 1 456.660 4.620 20 0 JJADMO COc1ccc([C@H]2CN(C(=O)/C=C/c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC[NH2+]2)cc1 ZINC001454588345 1066305408 /nfs/dbraw/zinc/30/54/08/1066305408.db2.gz SPJGQKHXSADHTA-DBKQCEECSA-N 1 1 458.402 4.919 20 0 JJADMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)CC1(Cc2nc3ccccc3s2)CCCCC1 ZINC001546063417 1066305612 /nfs/dbraw/zinc/30/56/12/1066305612.db2.gz QIAXVVDFBILWIR-UHFFFAOYSA-N 1 1 457.684 4.996 20 0 JJADMO COc1ccc([C@@H]2CN(C(=O)/C=C/c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC[NH2+]2)cc1 ZINC001454588349 1066305650 /nfs/dbraw/zinc/30/56/50/1066305650.db2.gz SPJGQKHXSADHTA-GBVBSETHSA-N 1 1 458.402 4.919 20 0 JJADMO COc1ccc([C@H]2CN(C(=O)c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)CC[NH2+]2)cc1 ZINC001454589933 1066305885 /nfs/dbraw/zinc/30/58/85/1066305885.db2.gz YOYAUWOKFLAORC-OAQYLSRUSA-N 1 1 457.452 4.688 20 0 JJADMO Cc1cc(CN(C)c2nnc(CSc3ccc(Cl)cc3)n2CC[N@@H+]2CCC[C@H](C)C2)no1 ZINC001361066270 1066305844 /nfs/dbraw/zinc/30/58/44/1066305844.db2.gz FZEBFSWIPIKOHM-KRWDZBQOSA-N 1 1 475.062 4.889 20 0 JJADMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 ZINC001546063541 1066308039 /nfs/dbraw/zinc/30/80/39/1066308039.db2.gz WKZVSGYDABJARO-UHFFFAOYSA-N 1 1 456.530 4.744 20 0 JJADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cc(F)ccc2Sc2ccc(Cl)cc2)CC1 ZINC001443432877 1066310478 /nfs/dbraw/zinc/31/04/78/1066310478.db2.gz UOMIPQYTNGVHDY-QGZVFWFLSA-N 1 1 450.023 4.634 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)OCc1nc(Cc2ccc(F)cc2)no1 ZINC001361080118 1066319259 /nfs/dbraw/zinc/31/92/59/1066319259.db2.gz XJHMSFLZWGVBSR-FYYLOGMGSA-N 1 1 451.542 4.637 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H](C)S[C@@H](C)C2)n1CC[N@@H+]1CC=CCC1 ZINC001361087790 1066327705 /nfs/dbraw/zinc/32/77/05/1066327705.db2.gz CHQPOJBKYJOARP-SFTDATJTSA-N 1 1 490.117 4.844 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CCC(C)C ZINC001361088031 1066328982 /nfs/dbraw/zinc/32/89/82/1066328982.db2.gz FFRCZHDEUGTZDT-IFMALSPDSA-N 1 1 460.066 4.971 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CCC(C)C ZINC001361088038 1066329108 /nfs/dbraw/zinc/32/91/08/1066329108.db2.gz FFRCZHDEUGTZDT-UNMCSNQZSA-N 1 1 460.066 4.971 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCSC[C@H]2C)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001361090135 1066338479 /nfs/dbraw/zinc/33/84/79/1066338479.db2.gz ATBMAGMOHPPXDQ-PZJWPPBQSA-N 1 1 492.133 4.925 20 0 JJADMO CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001546066353 1066340845 /nfs/dbraw/zinc/34/08/45/1066340845.db2.gz LMRGSGUGNWTYLM-ZBLYBZFDSA-N 1 1 469.674 4.957 20 0 JJADMO Cc1cccc(N(C)c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+](C)C2CCCC2)c1 ZINC001361101485 1066350990 /nfs/dbraw/zinc/35/09/90/1066350990.db2.gz LZZRHPZDTJGDEI-QHCPKHFHSA-N 1 1 498.672 4.537 20 0 JJADMO Cc1cccc(O[C@@H](C)Cn2c(CC(C)C)nnc2N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC001361111008 1066360707 /nfs/dbraw/zinc/36/07/07/1066360707.db2.gz VLQUQPNGXYATCO-NRFANRHFSA-N 1 1 453.656 4.636 20 0 JJADMO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Cc3ccc(Br)cc3Cl)CC2)c1 ZINC001443738387 1066361251 /nfs/dbraw/zinc/36/12/51/1066361251.db2.gz XEKURNWTMRLSMI-OAHLLOKOSA-N 1 1 451.792 4.559 20 0 JJADMO Cc1cccc(O[C@H](C)Cn2c(CC(C)C)nnc2N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC001361111224 1066361613 /nfs/dbraw/zinc/36/16/13/1066361613.db2.gz XYKNNOAECIQJTD-QSEAXJEQSA-N 1 1 493.700 4.505 20 0 JJADMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC001443765537 1066364367 /nfs/dbraw/zinc/36/43/67/1066364367.db2.gz XIZGBDOSCAUVCL-NRFANRHFSA-N 1 1 458.400 4.696 20 0 JJADMO C[N@H+]1CCC[C@@H](CNC(=O)CCc2c3cc(Br)ccc3[nH]c2-c2ccccc2)C1 ZINC001443771441 1066366185 /nfs/dbraw/zinc/36/61/85/1066366185.db2.gz PICGROBCOMSJOG-KRWDZBQOSA-N 1 1 454.412 4.988 20 0 JJADMO CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C)Oc1cccc(F)c1 ZINC001545962369 1066367314 /nfs/dbraw/zinc/36/73/14/1066367314.db2.gz BIQNLEAADXVTHR-LVCYWYKZSA-N 1 1 455.578 4.762 20 0 JJADMO CN(CCCC[NH+]1CCCCC1)C(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1O ZINC001455198220 1066369877 /nfs/dbraw/zinc/36/98/77/1066369877.db2.gz GZDWNENJBMFPCW-UHFFFAOYSA-N 1 1 450.004 4.698 20 0 JJADMO C[N@@H+](CCCOc1ccccc1CNC(=O)c1csc(N2CCCCC2)n1)C1CCCC1 ZINC001361119004 1066370398 /nfs/dbraw/zinc/37/03/98/1066370398.db2.gz MJPNWKGHRXMUJD-UHFFFAOYSA-N 1 1 456.656 4.707 20 0 JJADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)cc1 ZINC001361119051 1066370602 /nfs/dbraw/zinc/37/06/02/1066370602.db2.gz NQFHTIICUHPAQM-UHFFFAOYSA-N 1 1 459.333 4.933 20 0 JJADMO Cc1ccc(-n2ncc(C(=O)N3CC[NH+](CCCOC(C)(C)C)CC3)c2C2CC2)cc1Cl ZINC001455223683 1066372423 /nfs/dbraw/zinc/37/24/23/1066372423.db2.gz CLIFNJYZEOQJTB-UHFFFAOYSA-N 1 1 459.034 4.675 20 0 JJADMO CC[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(C)C)CC1)[NH+]1CCCC1 ZINC001545962852 1066376577 /nfs/dbraw/zinc/37/65/77/1066376577.db2.gz LIKZZCCYTQUUSI-XMMPIXPASA-N 1 1 452.691 4.647 20 0 JJADMO CC[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1)OC ZINC001545962934 1066378783 /nfs/dbraw/zinc/37/87/83/1066378783.db2.gz MUYDPXBSQHBGQM-HYBUGGRVSA-N 1 1 453.675 4.978 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCC[NH+]2CCOCC2)c1 ZINC001361125952 1066380963 /nfs/dbraw/zinc/38/09/63/1066380963.db2.gz HYVNAJJTGWAQCS-QHCPKHFHSA-N 1 1 483.701 4.884 20 0 JJADMO CC(C)(C)OC(=O)Nc1cc(F)cc(CNC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)c1 ZINC001455392135 1066385877 /nfs/dbraw/zinc/38/58/77/1066385877.db2.gz MESRGKWJKQIHKP-NRFANRHFSA-N 1 1 455.574 4.744 20 0 JJADMO CC[C@]1(C)CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C1 ZINC001546072589 1066389839 /nfs/dbraw/zinc/38/98/39/1066389839.db2.gz HKOQHGRGSFWPGG-JIPXPUAJSA-N 1 1 453.675 4.762 20 0 JJADMO CC[C@]1(C)CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C1 ZINC001546072589 1066389852 /nfs/dbraw/zinc/38/98/52/1066389852.db2.gz HKOQHGRGSFWPGG-JIPXPUAJSA-N 1 1 453.675 4.762 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H](C)C3)n2CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001361128565 1066392864 /nfs/dbraw/zinc/39/28/64/1066392864.db2.gz ZLUKEIOXHHFMNT-JOCHJYFZSA-N 1 1 469.674 4.636 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H](C)C3)n2CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001361128565 1066392877 /nfs/dbraw/zinc/39/28/77/1066392877.db2.gz ZLUKEIOXHHFMNT-JOCHJYFZSA-N 1 1 469.674 4.636 20 0 JJADMO CCc1nc(C[NH+]2CCC(CNC(=O)CCc3ncc(-c4ccc(C)cc4)o3)CC2)cs1 ZINC001444012636 1066393934 /nfs/dbraw/zinc/39/39/34/1066393934.db2.gz AZKPLYKGCHVQHV-UHFFFAOYSA-N 1 1 452.624 4.630 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCN4CCCC[C@H]4C3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001361131113 1066397623 /nfs/dbraw/zinc/39/76/23/1066397623.db2.gz YNTBJEQCWOOGQD-DEOSSOPVSA-N 1 1 482.717 4.694 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCN4CCCC[C@H]4C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001361131113 1066397637 /nfs/dbraw/zinc/39/76/37/1066397637.db2.gz YNTBJEQCWOOGQD-DEOSSOPVSA-N 1 1 482.717 4.694 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCN4CCCC[C@@H]4C3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001361131114 1066397710 /nfs/dbraw/zinc/39/77/10/1066397710.db2.gz YNTBJEQCWOOGQD-XMMPIXPASA-N 1 1 482.717 4.694 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCN4CCCC[C@@H]4C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001361131114 1066397719 /nfs/dbraw/zinc/39/77/19/1066397719.db2.gz YNTBJEQCWOOGQD-XMMPIXPASA-N 1 1 482.717 4.694 20 0 JJADMO COc1cccc(Cc2cnc(NC(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)s2)c1 ZINC001455506441 1066399137 /nfs/dbraw/zinc/39/91/37/1066399137.db2.gz YAIMQFYPCBERDN-OAQYLSRUSA-N 1 1 457.546 4.838 20 0 JJADMO Cc1nc(Cc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@H](C)c2ccc(C)cc2)cs1 ZINC001361135873 1066410397 /nfs/dbraw/zinc/41/03/97/1066410397.db2.gz UFJBQKCERBIWAG-NRFANRHFSA-N 1 1 496.725 4.541 20 0 JJADMO O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cc(OCc2ccccc2)ccn1 ZINC001444128894 1066410467 /nfs/dbraw/zinc/41/04/67/1066410467.db2.gz GUQMOTRDMVQFOE-OAQYLSRUSA-N 1 1 455.480 4.684 20 0 JJADMO O=C(Cc1csc(-c2cccs2)n1)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001444136074 1066412313 /nfs/dbraw/zinc/41/23/13/1066412313.db2.gz LZTUSBYGSXMBEC-MRXNPFEDSA-N 1 1 451.539 4.824 20 0 JJADMO O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ncc(C(F)(F)F)cc1Cl ZINC001444141479 1066414881 /nfs/dbraw/zinc/41/48/81/1066414881.db2.gz UIMNSYOQQHHICQ-CQSZACIVSA-N 1 1 451.798 4.777 20 0 JJADMO CC[C@@]1(C)CCN(c2nnc(Cc3csc(C)n3)n2CCC[N@@H+](C)Cc2ccccc2)C1 ZINC001546075286 1066426060 /nfs/dbraw/zinc/42/60/60/1066426060.db2.gz LGZFVJDIMXQHNS-VWLOTQADSA-N 1 1 452.672 4.782 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)[C@@H]3CCSC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361145664 1066429724 /nfs/dbraw/zinc/42/97/24/1066429724.db2.gz FOVHPUCAMUAFNN-IFMALSPDSA-N 1 1 471.715 4.926 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)Cc3cscn3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001361148595 1066435729 /nfs/dbraw/zinc/43/57/29/1066435729.db2.gz PRIFERUBSRKPDE-FPOVZHCZSA-N 1 1 468.671 4.687 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)Cc3nccs3)n2C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001361148785 1066437357 /nfs/dbraw/zinc/43/73/57/1066437357.db2.gz WHYWSUODNKAAQH-NRFANRHFSA-N 1 1 468.671 4.687 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CC[N@@H+](C)C2CCCC2)c1 ZINC001361151238 1066442033 /nfs/dbraw/zinc/44/20/33/1066442033.db2.gz FQFQUYCFAGHBGG-KNQAVFIVSA-N 1 1 495.590 4.504 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CC[N@@H+](C)C2CCCC2)c1 ZINC001361151237 1066442130 /nfs/dbraw/zinc/44/21/30/1066442130.db2.gz FQFQUYCFAGHBGG-DENIHFKCSA-N 1 1 495.590 4.504 20 0 JJADMO Cc1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1NC(=O)c1ccncc1 ZINC001444298448 1066444793 /nfs/dbraw/zinc/44/47/93/1066444793.db2.gz NMXPUEHADZBNLV-XUZZJYLKSA-N 1 1 456.590 4.767 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001361151937 1066444704 /nfs/dbraw/zinc/44/47/04/1066444704.db2.gz GLDWRUZDJGKJDG-ZEQRLZLVSA-N 1 1 483.701 4.703 20 0 JJADMO CC(C)(C)OC(=O)Nc1ccnc(CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)c1 ZINC001455889545 1066446715 /nfs/dbraw/zinc/44/67/15/1066446715.db2.gz MZOMZPCBSVVSAW-GOSISDBHSA-N 1 1 453.587 4.552 20 0 JJADMO Cc1cc(NC(=O)c2cn[nH]c2-c2cccc(OC(F)F)c2)ccc1OCC[NH+]1CCCC1 ZINC001444340323 1066451840 /nfs/dbraw/zinc/45/18/40/1066451840.db2.gz BGMHNPPHZXIZGX-UHFFFAOYSA-N 1 1 456.493 4.713 20 0 JJADMO C[C@@H]1[C@H](NC(=O)c2ccccc2SCC(=O)Nc2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC001455953851 1066459322 /nfs/dbraw/zinc/45/93/22/1066459322.db2.gz WZBAIIZZPMICAY-FZKQIMNGSA-N 1 1 452.407 4.547 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCCC[C@H](C)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361159079 1066463240 /nfs/dbraw/zinc/46/32/40/1066463240.db2.gz OAPXICAGAWXTPD-OEMFJLHTSA-N 1 1 469.674 4.600 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCO[C@H]2CCCC[C@@H]2C)c1 ZINC001361159233 1066463822 /nfs/dbraw/zinc/46/38/22/1066463822.db2.gz SXPAOIOWPQIODV-ZCYQVOJMSA-N 1 1 483.701 4.990 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](CC(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1)C1CC1 ZINC001444504404 1066468854 /nfs/dbraw/zinc/46/88/54/1066468854.db2.gz PSMAZGMWNVFOJQ-HSZRJFAPSA-N 1 1 455.643 4.727 20 0 JJADMO CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001455995737 1066469051 /nfs/dbraw/zinc/46/90/51/1066469051.db2.gz XBYDGQBKPWBQFY-RRPNLBNLSA-N 1 1 461.650 4.675 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCS[C@@H](C)C3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361162399 1066470175 /nfs/dbraw/zinc/47/01/75/1066470175.db2.gz BFKXXJGWWMNVBC-GGAORHGYSA-N 1 1 471.715 4.928 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCS[C@@H](C)C3)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001361164118 1066474892 /nfs/dbraw/zinc/47/48/92/1066474892.db2.gz WCMUREPAPUUNEB-NRFANRHFSA-N 1 1 457.688 4.538 20 0 JJADMO Cc1ccc(C2(C)CCN(c3nnc(C(C)(C)C)n3CCC[N@H+]3CCCO[C@H](C)C3)CC2)cc1 ZINC001361165044 1066476476 /nfs/dbraw/zinc/47/64/76/1066476476.db2.gz CQTQKRWSNKLCIN-HSZRJFAPSA-N 1 1 467.702 4.943 20 0 JJADMO C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2CCNC(=O)OC(C)(C)C)[C@@H]1c1cccs1 ZINC001444566163 1066477066 /nfs/dbraw/zinc/47/70/66/1066477066.db2.gz LSRBPZSPCNIPJF-DENIHFKCSA-N 1 1 457.640 4.628 20 0 JJADMO CC(C)(C)OC(=O)Nc1cccc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)n1 ZINC001456030793 1066482787 /nfs/dbraw/zinc/48/27/87/1066482787.db2.gz KJVKGIDEYVYEQK-LJQANCHMSA-N 1 1 458.990 4.867 20 0 JJADMO CC(C)(C)OC(=O)Nc1cccc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)n1 ZINC001456030793 1066482799 /nfs/dbraw/zinc/48/27/99/1066482799.db2.gz KJVKGIDEYVYEQK-LJQANCHMSA-N 1 1 458.990 4.867 20 0 JJADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)C[C@@H]1C ZINC001444614540 1066483740 /nfs/dbraw/zinc/48/37/40/1066483740.db2.gz KJNZAWABGGQZKL-AZUAARDMSA-N 1 1 455.002 4.600 20 0 JJADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)C[C@H]1C ZINC001444618907 1066484786 /nfs/dbraw/zinc/48/47/86/1066484786.db2.gz QSAJSBSTININAI-HIFRSBDPSA-N 1 1 456.427 4.514 20 0 JJADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)C[C@@H]1C ZINC001444622550 1066485220 /nfs/dbraw/zinc/48/52/20/1066485220.db2.gz XXYJGNVZPAIDPQ-HRAATJIYSA-N 1 1 458.400 4.646 20 0 JJADMO Cc1ccc(-c2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2CCCC[N@H+]2CCC[C@H]2CO)o1 ZINC001361171173 1066486350 /nfs/dbraw/zinc/48/63/50/1066486350.db2.gz SDENLEKKYXZYSK-ICSRJNTNSA-N 1 1 473.568 4.559 20 0 JJADMO Cc1ccc(-c2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2CCCC[N@H+]2CCC[C@@H]2CO)o1 ZINC001361171172 1066486547 /nfs/dbraw/zinc/48/65/47/1066486547.db2.gz SDENLEKKYXZYSK-AZUAARDMSA-N 1 1 473.568 4.559 20 0 JJADMO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl ZINC001444668523 1066490887 /nfs/dbraw/zinc/49/08/87/1066490887.db2.gz SOENLRVUZAOIJM-YFHOEESVSA-N 1 1 451.920 4.653 20 0 JJADMO C[C@@H](CNC(=O)c1sc(-c2ccccc2)cc1OCc1ccccc1)C[NH+]1CCOCC1 ZINC001444686602 1066492950 /nfs/dbraw/zinc/49/29/50/1066492950.db2.gz OIURZBLRJSTRLF-FQEVSTJZSA-N 1 1 450.604 4.692 20 0 JJADMO Cc1ccc(-c2nnc(N(C)C[C@H](C)c3ccccc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001361175679 1066493358 /nfs/dbraw/zinc/49/33/58/1066493358.db2.gz UQJLWZYXHMKWLN-ILWGZMRPSA-N 1 1 465.642 4.974 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CC(F)(F)F)n2C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)o1 ZINC001361175573 1066493515 /nfs/dbraw/zinc/49/35/15/1066493515.db2.gz RNTANRHFTIBPCZ-CRAIPNDOSA-N 1 1 453.534 4.990 20 0 JJADMO CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC001444776771 1066503807 /nfs/dbraw/zinc/50/38/07/1066503807.db2.gz IGVIOQDPQFJLNF-PKTZIBPZSA-N 1 1 464.587 4.556 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3cnc(C)s3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC001361181748 1066504189 /nfs/dbraw/zinc/50/41/89/1066504189.db2.gz VQFINCZFMCZCHF-QGZVFWFLSA-N 1 1 450.612 4.768 20 0 JJADMO Cc1ccc(-c2nnc(N(C)C[C@H]3CCCCO3)n2CC[N@@H+]2CCC[C@H]2C)cc1Br ZINC001361184531 1066507668 /nfs/dbraw/zinc/50/76/68/1066507668.db2.gz MFRUCJMCLYQBQK-UYAOXDASSA-N 1 1 476.463 4.506 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCC(F)(F)F)n2C[C@H]2CCn3cc[nH+]c3C2)cc1Br ZINC001361184592 1066508109 /nfs/dbraw/zinc/50/81/09/1066508109.db2.gz NWUMKWPCTJMLPY-HNNXBMFYSA-N 1 1 497.363 4.864 20 0 JJADMO CC[C@@]1(C)CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001546079455 1066510609 /nfs/dbraw/zinc/51/06/09/1066510609.db2.gz MSDUCMDLEYBESA-RLWLMLJZSA-N 1 1 455.647 4.613 20 0 JJADMO CCOC(=O)[C@@](C)(CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1)CC(C)C ZINC001456116649 1066512431 /nfs/dbraw/zinc/51/24/31/1066512431.db2.gz WVQGHILYABZPAF-MOZWKJSSSA-N 1 1 464.650 4.808 20 0 JJADMO Cc1ccc(-c2nnc(N(C)C[C@H]3CCCO3)n2CC[N@@H+](C)C2CCCCC2)cc1Br ZINC001361190745 1066516103 /nfs/dbraw/zinc/51/61/03/1066516103.db2.gz QZFAWKVMMZFFOG-OAQYLSRUSA-N 1 1 490.490 4.896 20 0 JJADMO COC(=O)Nc1cc(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)cc(C(F)(F)F)c1 ZINC001456155990 1066525026 /nfs/dbraw/zinc/52/50/26/1066525026.db2.gz LHFCEUAYWRHQTP-AWEZNQCLSA-N 1 1 451.445 4.529 20 0 JJADMO C[C@@H](c1ccc(NC(=O)[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)cc1)[NH+]1CCOCC1 ZINC001456155796 1066525262 /nfs/dbraw/zinc/52/52/62/1066525262.db2.gz KBRWXZDUOZDISD-WMZHIEFXSA-N 1 1 459.631 4.882 20 0 JJADMO C[C@@H](c1ccc(NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)cc1)N1CCOCC1 ZINC001456158958 1066525564 /nfs/dbraw/zinc/52/55/64/1066525564.db2.gz XOOMEDKHPKDMPT-VXKWHMMOSA-N 1 1 451.611 4.585 20 0 JJADMO Cn1c(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)ccc1-c1ccc(Br)cc1 ZINC001445036703 1066531389 /nfs/dbraw/zinc/53/13/89/1066531389.db2.gz SZUOHMMBNLHMHM-NRFANRHFSA-N 1 1 452.396 4.801 20 0 JJADMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccn(-c4cccc(C(F)(F)F)c4)n3)cc2)C1 ZINC001445041097 1066532606 /nfs/dbraw/zinc/53/26/06/1066532606.db2.gz BCPWWMHFHNEXIH-QGZVFWFLSA-N 1 1 458.484 4.864 20 0 JJADMO C[N@@H+](CCCOc1ccccc1CNC(=O)C[C@H]1CCc2sccc2C1=O)C1CCCC1 ZINC001445057035 1066534804 /nfs/dbraw/zinc/53/48/04/1066534804.db2.gz MLKPWQYTBYYIID-LJQANCHMSA-N 1 1 454.636 4.843 20 0 JJADMO CSc1cc(C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)ccc1Br ZINC001456199259 1066535886 /nfs/dbraw/zinc/53/58/86/1066535886.db2.gz RRIPWTKIANUQCO-UHFFFAOYSA-N 1 1 455.462 4.715 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CCc2ccc(N(C)C)cc2)o1 ZINC001361205573 1066537476 /nfs/dbraw/zinc/53/74/76/1066537476.db2.gz LXPTVTAQUDYPMI-UHFFFAOYSA-N 1 1 464.658 4.712 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2Cc2ccc(OC(C)C)nc2)o1 ZINC001361205979 1066538445 /nfs/dbraw/zinc/53/84/45/1066538445.db2.gz ZRKCSLZGISKBQI-UHFFFAOYSA-N 1 1 466.630 4.634 20 0 JJADMO CC(C)C[C@H](CC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)NC(=O)OC(C)(C)C ZINC001445091275 1066538614 /nfs/dbraw/zinc/53/86/14/1066538614.db2.gz PVBTWAJHMAPTQK-YIXXDRMTSA-N 1 1 457.659 4.831 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[C@@H](OCC(C)C)C3)n2C[C@H](C)[N@@H+](C)C2CC2)cc1Br ZINC001361209284 1066542292 /nfs/dbraw/zinc/54/22/92/1066542292.db2.gz SFPDLTVHYYOKLZ-GHTZIAJQSA-N 1 1 490.490 4.750 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)o1 ZINC001361212595 1066547418 /nfs/dbraw/zinc/54/74/18/1066547418.db2.gz NXPZWGHTLVPJDS-UNMCSNQZSA-N 1 1 498.716 4.736 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CC[N@H+](C)C2CCCCC2)o1 ZINC001361214287 1066550307 /nfs/dbraw/zinc/55/03/07/1066550307.db2.gz LZDXXTCLAJUYSI-LJQANCHMSA-N 1 1 469.552 4.659 20 0 JJADMO COc1ccc2cc(C(=O)N(C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC(F)(F)F)cnc2c1 ZINC001361220291 1066557258 /nfs/dbraw/zinc/55/72/58/1066557258.db2.gz LTCLGPHKBBVIEF-IBGZPJMESA-N 1 1 457.496 4.770 20 0 JJADMO CC(C)OCC[NH+]1CCN(C(=O)c2ccc(CSc3nc4ccccc4s3)cc2)CC1 ZINC001445324932 1066557363 /nfs/dbraw/zinc/55/73/63/1066557363.db2.gz OGAUKJVPKNLXFG-UHFFFAOYSA-N 1 1 455.649 4.771 20 0 JJADMO Cc1cc(C(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)nn1-c1ccccc1 ZINC001361220266 1066557403 /nfs/dbraw/zinc/55/74/03/1066557403.db2.gz LCPCUUAMXOWDRN-OAQYLSRUSA-N 1 1 456.512 4.707 20 0 JJADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)[C@H](C)C1 ZINC001456306351 1066560177 /nfs/dbraw/zinc/56/01/77/1066560177.db2.gz ZWHAELOKFOZUGG-NQIIRXRSSA-N 1 1 454.640 4.571 20 0 JJADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)[C@@H](C)C1 ZINC001456306348 1066560301 /nfs/dbraw/zinc/56/03/01/1066560301.db2.gz ZWHAELOKFOZUGG-GHTZIAJQSA-N 1 1 454.640 4.571 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[NH+](Cc4cccc(F)c4)CC3)n2CCSC(F)(F)F)o1 ZINC001361224349 1066562912 /nfs/dbraw/zinc/56/29/12/1066562912.db2.gz QZVLYJITZXGREL-UHFFFAOYSA-N 1 1 469.508 4.561 20 0 JJADMO CCN(C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC(C)C)C1)CC(F)(F)F ZINC001445372734 1066563820 /nfs/dbraw/zinc/56/38/20/1066563820.db2.gz PKRBUFXQLUHULC-DNVJHFABSA-N 1 1 453.593 4.513 20 0 JJADMO Cc1ccc([C@@H]2CCCN2c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+](C)C(C)C)o1 ZINC001361235371 1066575798 /nfs/dbraw/zinc/57/57/98/1066575798.db2.gz VOFLZOUCFPHCKG-SFHVURJKSA-N 1 1 461.408 4.619 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC001445524434 1066581474 /nfs/dbraw/zinc/58/14/74/1066581474.db2.gz OKBXGSREBVHVJN-KHVXQDHOSA-N 1 1 455.643 4.537 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC001445525128 1066582075 /nfs/dbraw/zinc/58/20/75/1066582075.db2.gz OYHGPWDFBYOVBC-KMDXXIMOSA-N 1 1 455.643 4.537 20 0 JJADMO COc1cc(Cl)c(Br)cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001361243123 1066584596 /nfs/dbraw/zinc/58/45/96/1066584596.db2.gz VIRQIFSGVAKDGU-HOCLYGCPSA-N 1 1 451.792 4.894 20 0 JJADMO COc1ccc(-c2ncc(C(=O)N3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)s2)cc1OC ZINC001445563680 1066587924 /nfs/dbraw/zinc/58/79/24/1066587924.db2.gz AFKLKOPSWKRJII-SFHVURJKSA-N 1 1 457.640 4.944 20 0 JJADMO Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)C2)c1 ZINC001445567008 1066588257 /nfs/dbraw/zinc/58/82/57/1066588257.db2.gz KXYPDCRJCCXPHN-UKILVPOCSA-N 1 1 453.671 4.659 20 0 JJADMO CC(=O)c1cccc(OCc2cc(C(=O)N3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)no2)c1 ZINC001445564851 1066588544 /nfs/dbraw/zinc/58/85/44/1066588544.db2.gz GBPRUPTWEBCBPB-LJQANCHMSA-N 1 1 453.583 4.573 20 0 JJADMO CCn1nc(C(F)(F)F)c(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1C(F)F ZINC001445568846 1066589141 /nfs/dbraw/zinc/58/91/41/1066589141.db2.gz QWOBUXLSANJBES-AWEZNQCLSA-N 1 1 450.496 4.976 20 0 JJADMO Cc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC001361249788 1066594182 /nfs/dbraw/zinc/59/41/82/1066594182.db2.gz FWHGOUARHHVFEX-UZINWLIJSA-N 1 1 489.730 4.693 20 0 JJADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)c3ccccc3SCc3ccco3)C2)cc(OC)c1 ZINC001445618851 1066595220 /nfs/dbraw/zinc/59/52/20/1066595220.db2.gz QMKWBJKJZPGJKQ-IBGZPJMESA-N 1 1 452.576 4.593 20 0 JJADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)c3ccccc3SCc3ccco3)C2)cc(OC)c1 ZINC001445618851 1066595231 /nfs/dbraw/zinc/59/52/31/1066595231.db2.gz QMKWBJKJZPGJKQ-IBGZPJMESA-N 1 1 452.576 4.593 20 0 JJADMO COc1ccc2cc(/C=C/C(=O)Nc3ccc(C(=O)N(C)[C@@H]4CCC[N@@H+](C)C4)cc3)ccc2c1 ZINC001456489878 1066597547 /nfs/dbraw/zinc/59/75/47/1066597547.db2.gz NEBSKPBUCCTUDP-BUAVBCDTSA-N 1 1 457.574 4.667 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC001456493573 1066598812 /nfs/dbraw/zinc/59/88/12/1066598812.db2.gz YLPSIZSEKPSDEV-GOSISDBHSA-N 1 1 456.011 4.651 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC001456493573 1066598825 /nfs/dbraw/zinc/59/88/25/1066598825.db2.gz YLPSIZSEKPSDEV-GOSISDBHSA-N 1 1 456.011 4.651 20 0 JJADMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)C[C@@H]3C(=O)Nc4ccc(Br)cc43)c2C1 ZINC001361253783 1066601761 /nfs/dbraw/zinc/60/17/61/1066601761.db2.gz HTRYYRGQPNUTMD-SFHVURJKSA-N 1 1 456.384 4.875 20 0 JJADMO CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC001445705276 1066607574 /nfs/dbraw/zinc/60/75/74/1066607574.db2.gz UNMWRCPGSIKTSM-DENIHFKCSA-N 1 1 454.590 4.789 20 0 JJADMO Cc1ccc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)[N@@H+](C)C2CC2)s1 ZINC001361261051 1066611605 /nfs/dbraw/zinc/61/16/05/1066611605.db2.gz FQJFJQIBVUFVGW-MRXNPFEDSA-N 1 1 460.047 5.000 20 0 JJADMO CC(C)(C)OC(=O)N(CC(=O)N[C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)CC1CC1 ZINC001456551968 1066622910 /nfs/dbraw/zinc/62/29/10/1066622910.db2.gz RRDLCIMFLUBAFL-ABYGYWHVSA-N 1 1 477.649 4.808 20 0 JJADMO Cc1ccc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)s1 ZINC001361273252 1066628836 /nfs/dbraw/zinc/62/88/36/1066628836.db2.gz PPRPRCAIVSRMAM-UHFFFAOYSA-N 1 1 491.608 4.512 20 0 JJADMO Cc1ccc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)s1 ZINC001361273252 1066628844 /nfs/dbraw/zinc/62/88/44/1066628844.db2.gz PPRPRCAIVSRMAM-UHFFFAOYSA-N 1 1 491.608 4.512 20 0 JJADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3C)cc2)CC1 ZINC001361276968 1066634075 /nfs/dbraw/zinc/63/40/75/1066634075.db2.gz MLRUCMKZWRAVHM-UHFFFAOYSA-N 1 1 457.574 4.746 20 0 JJADMO CC(C)[N@H+]1CC[C@H](C(=O)O[C@@H]2CCOc3cc(Cl)cc(Cl)c32)[C@@H](c2cnn(C)c2)C1 ZINC001361288027 1066646355 /nfs/dbraw/zinc/64/63/55/1066646355.db2.gz GFBGXGGEVNALJX-YQVWRLOYSA-N 1 1 452.382 4.608 20 0 JJADMO CC[N@@H+](C)[C@H](C(=O)N1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1)c1ccccc1 ZINC001456624941 1066648974 /nfs/dbraw/zinc/64/89/74/1066648974.db2.gz WGVFSBDKORFUIF-QPPBQGQZSA-N 1 1 457.659 4.955 20 0 JJADMO Cc1c(Br)c2ccccc2n1CC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001446175914 1066668744 /nfs/dbraw/zinc/66/87/44/1066668744.db2.gz PSANRLBVSSLUFI-ROUUACIJSA-N 1 1 454.412 4.834 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC=C(C)C1 ZINC001492608455 1066669109 /nfs/dbraw/zinc/66/91/09/1066669109.db2.gz ASVHHKCKCCMWHJ-UHFFFAOYSA-N 1 1 473.394 4.988 20 0 JJADMO C[N@H+]1CC[C@@H](NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)[C@H]1c1ccc(F)cc1 ZINC001446191980 1066673273 /nfs/dbraw/zinc/67/32/73/1066673273.db2.gz LJUVNYMYYDBLQW-IIBYNOLFSA-N 1 1 451.489 4.948 20 0 JJADMO C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)[C@@H]1c1ccc(F)cc1 ZINC001446196244 1066674249 /nfs/dbraw/zinc/67/42/49/1066674249.db2.gz QHNYXUYJJAAEQK-GGAORHGYSA-N 1 1 453.558 4.689 20 0 JJADMO C[N@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)[C@@H]1c1ccc(F)cc1 ZINC001446196244 1066674252 /nfs/dbraw/zinc/67/42/52/1066674252.db2.gz QHNYXUYJJAAEQK-GGAORHGYSA-N 1 1 453.558 4.689 20 0 JJADMO C[N@H+]1CC[C@@H](NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)[C@H]1c1ccc(F)cc1 ZINC001446196437 1066674303 /nfs/dbraw/zinc/67/43/03/1066674303.db2.gz SLWNANPPOMGTCV-DENIHFKCSA-N 1 1 458.603 4.513 20 0 JJADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(F)(F)c1ccc(Br)cc1 ZINC001456732357 1066676885 /nfs/dbraw/zinc/67/68/85/1066676885.db2.gz FDYNJWXXIFNEFB-GOSISDBHSA-N 1 1 451.355 4.912 20 0 JJADMO CC1=CCCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001492614079 1066677664 /nfs/dbraw/zinc/67/76/64/1066677664.db2.gz SUFBVVPHNJMRPQ-NRFANRHFSA-N 1 1 476.090 4.737 20 0 JJADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001456737061 1066678393 /nfs/dbraw/zinc/67/83/93/1066678393.db2.gz OOEGNEKKBKLHDJ-DNQXCXABSA-N 1 1 457.659 4.784 20 0 JJADMO C[C@@H](NC(=O)c1ccc2scc(Br)c2c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001456746377 1066679705 /nfs/dbraw/zinc/67/97/05/1066679705.db2.gz KKNVNYCRHRHSHE-FOIQADDNSA-N 1 1 459.409 4.683 20 0 JJADMO C[C@@H](NC(=O)c1ccc2scc(Br)c2c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001456746377 1066679712 /nfs/dbraw/zinc/67/97/12/1066679712.db2.gz KKNVNYCRHRHSHE-FOIQADDNSA-N 1 1 459.409 4.683 20 0 JJADMO C[C@@H](NC(=O)c1ccc(Oc2cccc(Cl)c2)cn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001456743849 1066679764 /nfs/dbraw/zinc/67/97/64/1066679764.db2.gz GYRONVGLTBRGOR-HOYKHHGWSA-N 1 1 451.954 4.547 20 0 JJADMO C[C@@H](NC(=O)c1ccc(Oc2cccc(Cl)c2)cn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001456743849 1066679767 /nfs/dbraw/zinc/67/97/67/1066679767.db2.gz GYRONVGLTBRGOR-HOYKHHGWSA-N 1 1 451.954 4.547 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC=C(C)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001492615075 1066679791 /nfs/dbraw/zinc/67/97/91/1066679791.db2.gz YRTASTLCPXPPEF-JTHBVZDNSA-N 1 1 488.076 4.692 20 0 JJADMO CN(CCCC(=O)OC(C)(C)C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001456803935 1066695249 /nfs/dbraw/zinc/69/52/49/1066695249.db2.gz STXACARQVKLWPP-UFHPHHKVSA-N 1 1 450.623 4.657 20 0 JJADMO COC(=O)C1(CCCCNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)CCC1 ZINC001456824065 1066701819 /nfs/dbraw/zinc/70/18/19/1066701819.db2.gz HPMXUTTXZVOAIU-LEAFIULHSA-N 1 1 462.634 4.706 20 0 JJADMO Cc1cnc(C2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC001492633466 1066714481 /nfs/dbraw/zinc/71/44/81/1066714481.db2.gz ZXCJXKNTJRDHNH-HDICACEKSA-N 1 1 474.719 4.612 20 0 JJADMO CC[C@@]1(C)CN(c2nnc(-c3cc(F)ccc3Br)n2CCC[N@@H+](C)C(C)C)CCO1 ZINC001546085486 1066715788 /nfs/dbraw/zinc/71/57/88/1066715788.db2.gz LYQDEVPMUPNTQI-QFIPXVFZSA-N 1 1 482.442 4.582 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCCCC[C@@H]3C[C@@H](O)c3ccccc3)cc2)C[C@H](C)O1 ZINC001446553584 1066720529 /nfs/dbraw/zinc/72/05/29/1066720529.db2.gz KXIZCDHWNDACHN-JRAXSAEOSA-N 1 1 450.623 4.804 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCCCC[C@@H]3C[C@@H](O)c3ccccc3)cc2)C[C@H](C)O1 ZINC001446553584 1066720541 /nfs/dbraw/zinc/72/05/41/1066720541.db2.gz KXIZCDHWNDACHN-JRAXSAEOSA-N 1 1 450.623 4.804 20 0 JJADMO Cc1csc([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@H]3CCC[N@H+](CC(C)C)C3)CCO2)n1 ZINC001492641905 1066735462 /nfs/dbraw/zinc/73/54/62/1066735462.db2.gz PIFNMAQRLMLWAD-SFTDATJTSA-N 1 1 474.719 4.578 20 0 JJADMO O=C(COc1ccc(F)c(Cl)c1)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456981438 1066735603 /nfs/dbraw/zinc/73/56/03/1066735603.db2.gz GJNCYLWPZYRFEN-QGZVFWFLSA-N 1 1 458.883 4.771 20 0 JJADMO CCC[C@@H]1CN(C(=O)/C=C/[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001446813950 1066743830 /nfs/dbraw/zinc/74/38/30/1066743830.db2.gz JQCMYLVUXBIQKH-NVECHQRWSA-N 1 1 455.643 4.703 20 0 JJADMO Cc1cc([C@@H](NC(=O)C2CC[NH+](Cc3nccn3C)CC2)c2ccccc2Cl)ccc1F ZINC001457026758 1066747422 /nfs/dbraw/zinc/74/74/22/1066747422.db2.gz KMJAXHLGJJYVOL-XMMPIXPASA-N 1 1 454.977 4.639 20 0 JJADMO Cc1ccc(C(=O)N(CC[N@H+](C)Cc2ccccc2)Cc2ccccc2)cc1N1CCOCC1 ZINC001457033453 1066748962 /nfs/dbraw/zinc/74/89/62/1066748962.db2.gz FKXOLAJYXALUFO-UHFFFAOYSA-N 1 1 457.618 4.606 20 0 JJADMO Cc1csc(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001492647115 1066750855 /nfs/dbraw/zinc/75/08/55/1066750855.db2.gz FMIWPWKXGRMKQB-HSZRJFAPSA-N 1 1 488.101 4.885 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC001457087711 1066758767 /nfs/dbraw/zinc/75/87/67/1066758767.db2.gz DVRCNPZVARDBBX-WZONZLPQSA-N 1 1 454.039 4.957 20 0 JJADMO C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001457103050 1066762889 /nfs/dbraw/zinc/76/28/89/1066762889.db2.gz RNJDZKMDPBYNDH-JXALWOEJSA-N 1 1 451.611 4.913 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC001457103164 1066763001 /nfs/dbraw/zinc/76/30/01/1066763001.db2.gz RSFMGWHJSWVZCR-JXFKEZNVSA-N 1 1 454.368 4.745 20 0 JJADMO COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001457128462 1066768220 /nfs/dbraw/zinc/76/82/20/1066768220.db2.gz XJZBXUOGSFQLTG-INIZCTEOSA-N 1 1 451.995 4.690 20 0 JJADMO O=C(NCCOc1c(Cl)cc(Br)cc1Cl)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001447112591 1066775548 /nfs/dbraw/zinc/77/55/48/1066775548.db2.gz XOKYHVNQRLKEMU-INIZCTEOSA-N 1 1 450.204 4.658 20 0 JJADMO CC(=O)Nc1ccc(C(=O)NCc2ccccc2OCCC[N@H+](C)C2CCCC2)cc1Cl ZINC001457161234 1066776263 /nfs/dbraw/zinc/77/62/63/1066776263.db2.gz FKJVQYMZWHGETH-UHFFFAOYSA-N 1 1 458.002 4.872 20 0 JJADMO Cc1nc(C)c(Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)s1 ZINC001492660158 1066777535 /nfs/dbraw/zinc/77/75/35/1066777535.db2.gz IRVOJDIXIGDWBQ-UHFFFAOYSA-N 1 1 486.661 4.674 20 0 JJADMO Cc1nc(Cc2nnc(N(C)[C@@H](C)c3cccc(O)c3)n2CCCCn2cc[nH+]c2C)cs1 ZINC001492661045 1066779261 /nfs/dbraw/zinc/77/92/61/1066779261.db2.gz CBVAZMHENQRUBW-KRWDZBQOSA-N 1 1 465.627 4.522 20 0 JJADMO Cc1nc(Cc2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2CC[N@H+]2CCC[C@H]2C)cs1 ZINC001492661014 1066779345 /nfs/dbraw/zinc/77/93/45/1066779345.db2.gz BJJQLFAZTRLMBT-HZPDHXFCSA-N 1 1 460.598 4.594 20 0 JJADMO Cc1nc(Cc2nnc(N(C)[C@H](C)c3ccc(F)c(F)c3)n2CC[N@H+]2CCC[C@H]2C)cs1 ZINC001492661650 1066780859 /nfs/dbraw/zinc/78/08/59/1066780859.db2.gz KQQAFSNDTUPFDX-HZPDHXFCSA-N 1 1 460.598 4.594 20 0 JJADMO Cc1nc(Cc2nnc(N(C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)n2CC(C)C)cs1 ZINC001492663764 1066784123 /nfs/dbraw/zinc/78/41/23/1066784123.db2.gz JFZRTJIIRNLVKQ-AUSIDOKSSA-N 1 1 452.672 4.779 20 0 JJADMO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)NCC[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001457195871 1066784971 /nfs/dbraw/zinc/78/49/71/1066784971.db2.gz MIMMBYYJFJGHBJ-LADGPHEKSA-N 1 1 457.659 4.893 20 0 JJADMO CN(C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001447300265 1066788778 /nfs/dbraw/zinc/78/87/78/1066788778.db2.gz BRPXYZDXPMJELO-RTWAWAEBSA-N 1 1 451.442 4.884 20 0 JJADMO Cc1nc(Cc2nnc(N(C)Cc3ccc(F)cc3F)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001492665995 1066788782 /nfs/dbraw/zinc/78/87/82/1066788782.db2.gz DJMZAQWNEXHOOT-SJORKVTESA-N 1 1 474.625 4.669 20 0 JJADMO Cc1nc(Cc2nnc(N(C)Cc3ccc(F)cc3F)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)cs1 ZINC001492665993 1066788979 /nfs/dbraw/zinc/78/89/79/1066788979.db2.gz DJMZAQWNEXHOOT-IRXDYDNUSA-N 1 1 474.625 4.669 20 0 JJADMO CN(C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001447300262 1066788935 /nfs/dbraw/zinc/78/89/35/1066788935.db2.gz BRPXYZDXPMJELO-NHCUHLMSSA-N 1 1 451.442 4.884 20 0 JJADMO Cc1nc(Cc2nnc(N(C)Cc3ccc(Cl)s3)n2CCCn2cc[nH+]c2C)cs1 ZINC001492666580 1066792530 /nfs/dbraw/zinc/79/25/30/1066792530.db2.gz ZHAOFGNNIWRVFE-UHFFFAOYSA-N 1 1 462.048 4.580 20 0 JJADMO C[C@@H]1C[C@H](NC(=O)c2ccc(OC(F)F)c(Br)c2)CC[N@H+]1Cc1ccccc1 ZINC001457227655 1066794556 /nfs/dbraw/zinc/79/45/56/1066794556.db2.gz KJDYXRNGLIDKAY-RHSMWYFYSA-N 1 1 453.327 4.833 20 0 JJADMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc(Br)ccc2OCc2ccccc2)C1 ZINC001447331994 1066794638 /nfs/dbraw/zinc/79/46/38/1066794638.db2.gz XMAIIHLOEXFPOZ-QFIPXVFZSA-N 1 1 451.364 4.945 20 0 JJADMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc(Br)ccc2OCc2ccccc2)C1 ZINC001447331994 1066794650 /nfs/dbraw/zinc/79/46/50/1066794650.db2.gz XMAIIHLOEXFPOZ-QFIPXVFZSA-N 1 1 451.364 4.945 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC(C(C)C)CC3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)cs1 ZINC001492673425 1066806740 /nfs/dbraw/zinc/80/67/40/1066806740.db2.gz SWSYKWDEOVMAAY-NRFANRHFSA-N 1 1 458.720 4.874 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC(F)(F)CC3)n2CCC[N@H+](C)C2CCCCC2)cs1 ZINC001492675481 1066812702 /nfs/dbraw/zinc/81/27/02/1066812702.db2.gz ZUWNLOSFEGEEET-UHFFFAOYSA-N 1 1 452.619 4.524 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC001492676840 1066814666 /nfs/dbraw/zinc/81/46/66/1066814666.db2.gz POEIHCXBKZWERD-ROUUACIJSA-N 1 1 470.609 4.533 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC4(C3)CCC(F)(F)CC4)n2CCC[N@H+](C)C(C)C)cs1 ZINC001492677193 1066815926 /nfs/dbraw/zinc/81/59/26/1066815926.db2.gz YTXFIUQWUHZHPJ-UHFFFAOYSA-N 1 1 466.646 4.770 20 0 JJADMO CCCOc1nc2ccccc2cc1/C=C/C(=O)Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC001447569097 1066823222 /nfs/dbraw/zinc/82/32/22/1066823222.db2.gz RGDZLANNARPSPX-OUKQBFOZSA-N 1 1 459.590 4.805 20 0 JJADMO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)/C(=C/c1cccc(Cl)c1)c1cccs1 ZINC001447580863 1066825612 /nfs/dbraw/zinc/82/56/12/1066825612.db2.gz DSLFHYOOIQJWMD-ZZAWEDPDSA-N 1 1 453.007 4.825 20 0 JJADMO Cc1nc(C[C@@H]2CCCN(c3nnc(CC(C)(C)C)n3Cc3ccccc3C[N@H+](C)C(C)C)C2)no1 ZINC001492685074 1066829166 /nfs/dbraw/zinc/82/91/66/1066829166.db2.gz OSOSIMZYIYIPFL-QFIPXVFZSA-N 1 1 493.700 4.906 20 0 JJADMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2scc(Br)c2c1 ZINC001447623259 1066830300 /nfs/dbraw/zinc/83/03/00/1066830300.db2.gz YPTVXUCLVGIKLJ-GOSISDBHSA-N 1 1 459.409 4.551 20 0 JJADMO COC(=O)Nc1cc(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)cc(C(F)(F)F)c1 ZINC001457461145 1066835825 /nfs/dbraw/zinc/83/58/25/1066835825.db2.gz UIVHAZLXPKGOHD-UHFFFAOYSA-N 1 1 456.490 4.969 20 0 JJADMO Cc1ncc(CN(C)c2nnc(Cc3ccccc3C)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)s1 ZINC001492697617 1066849713 /nfs/dbraw/zinc/84/97/13/1066849713.db2.gz ANICCLWSQMAPMZ-AZUAARDMSA-N 1 1 452.672 4.699 20 0 JJADMO CCCCOc1ccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)cc1Cl ZINC001447754878 1066853479 /nfs/dbraw/zinc/85/34/79/1066853479.db2.gz ZRJCEVWLNPRIAA-NVQXNPDNSA-N 1 1 457.014 4.674 20 0 JJADMO Cc1c(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001457537635 1066854249 /nfs/dbraw/zinc/85/42/49/1066854249.db2.gz NLXCQDAYMGYQFI-JOCHJYFZSA-N 1 1 456.512 4.936 20 0 JJADMO CC[C@H](NC(=O)c1cc(OCc2ccccc2)cs1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001457534363 1066854300 /nfs/dbraw/zinc/85/43/00/1066854300.db2.gz CHJNWYHBARTXDM-ZEQRLZLVSA-N 1 1 450.604 4.737 20 0 JJADMO CC[C@H](NC(=O)c1cc(OCc2ccccc2)cs1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001457534363 1066854312 /nfs/dbraw/zinc/85/43/12/1066854312.db2.gz CHJNWYHBARTXDM-ZEQRLZLVSA-N 1 1 450.604 4.737 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(Br)o2)cn1 ZINC001492704181 1066862483 /nfs/dbraw/zinc/86/24/83/1066862483.db2.gz TWYVVOUWLDBXGH-UHFFFAOYSA-N 1 1 498.429 4.796 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2ccc(Br)s2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001492705389 1066865070 /nfs/dbraw/zinc/86/50/70/1066865070.db2.gz DTEYXFXZEYFYOP-KRWDZBQOSA-N 1 1 493.475 4.617 20 0 JJADMO C[NH+](C)Cc1ccc(NC(=O)CCOc2ccccc2Br)cc1Br ZINC001447820593 1066866239 /nfs/dbraw/zinc/86/62/39/1066866239.db2.gz RAGOMOWBWHVFHS-UHFFFAOYSA-N 1 1 456.178 4.681 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(N2CCO[C@H](c3ccc(F)cc3Cl)C2)nnc1C(C)(C)C ZINC001492706657 1066869262 /nfs/dbraw/zinc/86/92/62/1066869262.db2.gz VSPXVPCSGLSEKL-NRFANRHFSA-N 1 1 475.012 4.931 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC1CC(F)C1 ZINC001492707161 1066870115 /nfs/dbraw/zinc/87/01/15/1066870115.db2.gz MWTJHOKRFCZEIN-PPDQVPDSSA-N 1 1 460.985 4.851 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001492707533 1066871584 /nfs/dbraw/zinc/87/15/84/1066871584.db2.gz YUQQMSRIVBRGOM-GOSISDBHSA-N 1 1 470.593 4.546 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(COc2ccc(Br)cc2)nnc1N1CCCC1(C)C ZINC001492708716 1066872274 /nfs/dbraw/zinc/87/22/74/1066872274.db2.gz JUGQGCPZVRXJOQ-UHFFFAOYSA-N 1 1 473.419 4.594 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCS[C@@H](C)C1 ZINC001492708735 1066872546 /nfs/dbraw/zinc/87/25/46/1066872546.db2.gz KLGSNWWGEUZQBX-IBGZPJMESA-N 1 1 468.671 4.692 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(CCCc2ccccc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001492708940 1066873014 /nfs/dbraw/zinc/87/30/14/1066873014.db2.gz QQTMEQKZJUQKRS-MHZLTWQESA-N 1 1 464.658 4.690 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001492709258 1066873672 /nfs/dbraw/zinc/87/36/72/1066873672.db2.gz CVEIOMDLCQTLOS-RTWAWAEBSA-N 1 1 485.677 4.818 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2cccc(Br)c2)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001492710085 1066874487 /nfs/dbraw/zinc/87/44/87/1066874487.db2.gz CMCDKUOLHSRPLY-GOSISDBHSA-N 1 1 455.404 4.705 20 0 JJADMO Cc1nccn1CCCn1c(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nnc1C(C)(C)C ZINC001492709892 1066874660 /nfs/dbraw/zinc/87/46/60/1066874660.db2.gz XBLWLXBFGARIGJ-URXFXBBRSA-N 1 1 463.674 4.660 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001492710198 1066875175 /nfs/dbraw/zinc/87/51/75/1066875175.db2.gz HGTOPHVMVXGOHB-QFIPXVFZSA-N 1 1 493.656 4.551 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001492710564 1066875867 /nfs/dbraw/zinc/87/58/67/1066875867.db2.gz UNLMDPQKHDBXEZ-ZIAGYGMSSA-N 1 1 451.427 4.787 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001492710505 1066875880 /nfs/dbraw/zinc/87/58/80/1066875880.db2.gz RHRCVXZFCJGEND-FQEVSTJZSA-N 1 1 466.630 4.579 20 0 JJADMO C[N@H+]1CC[C@H](C(=O)NCc2ccc(NC(=O)CCCOc3ccccc3)cc2)[C@@H]1c1ccccc1 ZINC001457602947 1066875981 /nfs/dbraw/zinc/87/59/81/1066875981.db2.gz HKWNTGTVPIKUFV-XCZPVHLTSA-N 1 1 471.601 4.794 20 0 JJADMO Cc1[nH+]ccn1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001492711693 1066876972 /nfs/dbraw/zinc/87/69/72/1066876972.db2.gz BXLNTYUWTOYCOK-HSZRJFAPSA-N 1 1 480.657 4.611 20 0 JJADMO Cc1nccn1CCn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001492710834 1066877039 /nfs/dbraw/zinc/87/70/39/1066877039.db2.gz DCQOYJGIEBOYFT-XUZZJYLKSA-N 1 1 463.674 4.561 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001492710719 1066877161 /nfs/dbraw/zinc/87/71/61/1066877161.db2.gz ZUWCKDXMVONYDE-QHCPKHFHSA-N 1 1 460.985 4.584 20 0 JJADMO O=C(OCc1ccccc1)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001447921788 1066877559 /nfs/dbraw/zinc/87/75/59/1066877559.db2.gz RCQRMUNIEUOTCX-KAYWLYCHSA-N 1 1 456.586 4.685 20 0 JJADMO O=C(OCc1ccccc1)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001447921792 1066877616 /nfs/dbraw/zinc/87/76/16/1066877616.db2.gz RCQRMUNIEUOTCX-RRPNLBNLSA-N 1 1 456.586 4.685 20 0 JJADMO Cc1[nH+]ccn1CCn1c(CCc2ccccc2)nnc1N(C)Cc1cc(Br)cs1 ZINC001492712121 1066877731 /nfs/dbraw/zinc/87/77/31/1066877731.db2.gz SPKKAJGVJSRYIS-UHFFFAOYSA-N 1 1 485.455 4.729 20 0 JJADMO Cc1nn(C)c(C)c1CN(C)c1nnc(CC(C)(C)C)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001492718988 1066887888 /nfs/dbraw/zinc/88/78/88/1066887888.db2.gz CDZFRKZYRCNKMZ-JOCHJYFZSA-N 1 1 455.695 4.651 20 0 JJADMO CCOc1ccc([C@@H](NC(=O)CCC[NH+]2CCN(C(C)C)CC2)c2cccc(Cl)c2)cc1 ZINC001546002191 1066890568 /nfs/dbraw/zinc/89/05/68/1066890568.db2.gz CBEINJHPNKRPTP-AREMUKBSSA-N 1 1 458.046 4.751 20 0 JJADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCC2CC(OC(C)(C)C)C2)CC1 ZINC001492723410 1066894426 /nfs/dbraw/zinc/89/44/26/1066894426.db2.gz MVBAZSXIKWYESV-UHFFFAOYSA-N 1 1 499.748 4.523 20 0 JJADMO CN(C)[C@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cccc(C(F)(F)F)c1 ZINC001448059175 1066894765 /nfs/dbraw/zinc/89/47/65/1066894765.db2.gz BZFZQDAEIYVSHB-DHIUTWEWSA-N 1 1 459.556 4.727 20 0 JJADMO CN(C)[C@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cccc(C(F)(F)F)c1 ZINC001448059175 1066894771 /nfs/dbraw/zinc/89/47/71/1066894771.db2.gz BZFZQDAEIYVSHB-DHIUTWEWSA-N 1 1 459.556 4.727 20 0 JJADMO Cc1cc(C)n(-c2ccccc2Cn2c(N3CCC[N@H+](C(C)(C)C)CC3)nnc2C(C)(C)C)n1 ZINC001492728651 1066898261 /nfs/dbraw/zinc/89/82/61/1066898261.db2.gz ISOQUBBZZOVPFP-UHFFFAOYSA-N 1 1 463.674 4.737 20 0 JJADMO Cc1cc(C)n([C@@H]2CCCN(c3nnc(CC(C)C)n3CCC[N@@H+](C)Cc3ccccc3)C2)n1 ZINC001492731784 1066903224 /nfs/dbraw/zinc/90/32/24/1066903224.db2.gz XAXXZCJQDPCBHW-RUZDIDTESA-N 1 1 463.674 4.654 20 0 JJADMO Cc1c(Br)c2ccccc2n1CC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001448128707 1066903190 /nfs/dbraw/zinc/90/31/90/1066903190.db2.gz VKBJDAKYMDHPCZ-QFIPXVFZSA-N 1 1 454.412 4.739 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccccc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492732809 1066906166 /nfs/dbraw/zinc/90/61/66/1066906166.db2.gz WKMAUZSWJJMMRR-IMSXRSKXSA-N 1 1 463.674 4.705 20 0 JJADMO CCn1c2cc(Br)ccc2nc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001457734310 1066906787 /nfs/dbraw/zinc/90/67/87/1066906787.db2.gz YLFIZVQJPDPJGG-INIZCTEOSA-N 1 1 459.363 4.809 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)n2CCC(C)(F)F)n1 ZINC001492733268 1066906880 /nfs/dbraw/zinc/90/68/80/1066906880.db2.gz GPPZDQOXZRQTQR-REWPJTCUSA-N 1 1 485.627 4.674 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCC[N@@H+](C)C2CCCCC2)n1 ZINC001492733724 1066907468 /nfs/dbraw/zinc/90/74/68/1066907468.db2.gz RKFFNFYQKXVPGJ-HYBUGGRVSA-N 1 1 455.695 4.809 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CCC[C@H](C)C3)n2CCC[N@@H+](C)C2CCCCC2)n1 ZINC001492733725 1066907556 /nfs/dbraw/zinc/90/75/56/1066907556.db2.gz RKFFNFYQKXVPGJ-RDPSFJRHSA-N 1 1 455.695 4.809 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(Cl)c(F)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC001492736146 1066910796 /nfs/dbraw/zinc/91/07/96/1066910796.db2.gz VXJVXJFQBOAQGT-QFIPXVFZSA-N 1 1 488.055 4.689 20 0 JJADMO C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)Nc1ccc(Cl)c(C[N@H+](C)CCO)c1 ZINC001448225250 1066910852 /nfs/dbraw/zinc/91/08/52/1066910852.db2.gz HGYHVOPDYORPCF-IBGZPJMESA-N 1 1 452.982 4.761 20 0 JJADMO C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)Nc1ccc(Cl)c(C[N@@H+](C)CCO)c1 ZINC001448225250 1066910864 /nfs/dbraw/zinc/91/08/64/1066910864.db2.gz HGYHVOPDYORPCF-IBGZPJMESA-N 1 1 452.982 4.761 20 0 JJADMO Cc1cc(C(C)(C)C(=O)Nc2ccc(Cl)c(C[N@H+](C)CCO)c2)ccc1Br ZINC001448230488 1066911807 /nfs/dbraw/zinc/91/18/07/1066911807.db2.gz UQTNRENSYARNBA-UHFFFAOYSA-N 1 1 453.808 4.751 20 0 JJADMO Cc1cc(C(C)(C)C(=O)Nc2ccc(Cl)c(C[N@@H+](C)CCO)c2)ccc1Br ZINC001448230488 1066911812 /nfs/dbraw/zinc/91/18/12/1066911812.db2.gz UQTNRENSYARNBA-UHFFFAOYSA-N 1 1 453.808 4.751 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)CCCCc3ccccc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC001492739388 1066913947 /nfs/dbraw/zinc/91/39/47/1066913947.db2.gz HMCMJOAFZQNZDK-RUZDIDTESA-N 1 1 477.701 4.719 20 0 JJADMO Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)NCC[N@@H+]3CCC[C@@H]3C)cc12 ZINC001457775043 1066917012 /nfs/dbraw/zinc/91/70/12/1066917012.db2.gz UVMQJQBDAYMWQX-ZDUSSCGKSA-N 1 1 451.423 4.975 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@H](c2cccnc2)C(C)C)n1 ZINC001492746527 1066922309 /nfs/dbraw/zinc/92/23/09/1066922309.db2.gz VUMONMHCDDBNIB-SANMLTNESA-N 1 1 492.716 4.531 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCC[C@H]3C(C)C)n2C[C@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC001492749728 1066924738 /nfs/dbraw/zinc/92/47/38/1066924738.db2.gz HOWQUIFQOQDMQA-XZOQPEGZSA-N 1 1 470.065 4.721 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC001492751236 1066925991 /nfs/dbraw/zinc/92/59/91/1066925991.db2.gz VGIRZPRJUWNFNF-WOJBJXKFSA-N 1 1 481.611 4.744 20 0 JJADMO Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001448533195 1066936440 /nfs/dbraw/zinc/93/64/40/1066936440.db2.gz DOEZHXSQXVMOMF-CVDCTZTESA-N 1 1 453.583 4.662 20 0 JJADMO Cc1nnc(CCCn2c(CC(C)C)nnc2N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC001492766249 1066938538 /nfs/dbraw/zinc/93/85/38/1066938538.db2.gz GLYSJWKJHJRKEX-NFBKMPQASA-N 1 1 481.714 4.759 20 0 JJADMO Cc1nnc(N(C)Cc2ccc(Br)o2)n1C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001492779475 1066947559 /nfs/dbraw/zinc/94/75/59/1066947559.db2.gz FNWDHFYLRZRNLF-FQEVSTJZSA-N 1 1 472.431 4.881 20 0 JJADMO Cc1nnc(N(C)CCCOc2ccc(F)cc2)n1C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001492786244 1066948999 /nfs/dbraw/zinc/94/89/99/1066948999.db2.gz JUNIVKJOISTCPC-AUSIDOKSSA-N 1 1 457.619 4.776 20 0 JJADMO Cc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001492798230 1066951357 /nfs/dbraw/zinc/95/13/57/1066951357.db2.gz BIINCSCDHZXIRZ-FQEVSTJZSA-N 1 1 484.689 4.605 20 0 JJADMO Cc1nnc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001492799506 1066952548 /nfs/dbraw/zinc/95/25/48/1066952548.db2.gz GSUSJJLJEFJBOR-RDPSFJRHSA-N 1 1 460.066 4.558 20 0 JJADMO Cc1nnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001492800912 1066952916 /nfs/dbraw/zinc/95/29/16/1066952916.db2.gz NWHKYZBVNDYUIV-TUACAJSNSA-N 1 1 453.675 4.917 20 0 JJADMO C[C@H](CC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001448724623 1066953831 /nfs/dbraw/zinc/95/38/31/1066953831.db2.gz VVTLBYDCKSCCRP-MRCUYLHHSA-N 1 1 457.659 4.688 20 0 JJADMO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1ccccc1C(=O)NCC[N@@H+]1CC=CCC1 ZINC001448783415 1066957565 /nfs/dbraw/zinc/95/75/65/1066957565.db2.gz ILKXMEMUUXVSGE-MQSCRBSSSA-N 1 1 458.668 4.774 20 0 JJADMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(CC)[C@@H](C)c2ccc(-c3cccc(OC)c3)cc2)C1 ZINC001545702465 1066965315 /nfs/dbraw/zinc/96/53/15/1066965315.db2.gz DADDWUBJKSBORR-GBXCKJPGSA-N 1 1 452.595 4.547 20 0 JJADMO CC[C@@H](c1nnc(N(C)[C@H](C)CCSC)n1C[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC001545717194 1066971873 /nfs/dbraw/zinc/97/18/73/1066971873.db2.gz HLHIJJBZCLSJAY-RZUBCFFCSA-N 1 1 452.672 4.857 20 0 JJADMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)COc1ccccc1C(F)(F)F ZINC001458093053 1066972584 /nfs/dbraw/zinc/97/25/84/1066972584.db2.gz INVRFIMIFMIPHU-LJQANCHMSA-N 1 1 458.484 4.675 20 0 JJADMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1cc(Br)ccc1C ZINC001458093310 1066972831 /nfs/dbraw/zinc/97/28/31/1066972831.db2.gz LAHSGTQRIIXRDA-HXUWFJFHSA-N 1 1 453.384 4.962 20 0 JJADMO CC[C@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC001545719816 1066973888 /nfs/dbraw/zinc/97/38/88/1066973888.db2.gz MVIZUSARJWUZTF-BKYGCCQFSA-N 1 1 494.728 4.968 20 0 JJADMO COC(C)(C)c1nc(C)c(C(=O)Nc2c(C)cnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC001458096331 1066974234 /nfs/dbraw/zinc/97/42/34/1066974234.db2.gz YIXGQFHRELDZKG-LJQANCHMSA-N 1 1 453.612 4.537 20 0 JJADMO Cc1ccc(NC(=O)c2cc(C[NH+]3CCCC3)on2)cc1Oc1ncccc1Br ZINC001448971127 1066974383 /nfs/dbraw/zinc/97/43/83/1066974383.db2.gz QWEUKFDZQNCUQT-UHFFFAOYSA-N 1 1 457.328 4.781 20 0 JJADMO CC[C@H](c1nnc(N(C)Cc2c(C)noc2C)n1C[C@@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC001545721542 1066975572 /nfs/dbraw/zinc/97/55/72/1066975572.db2.gz BTRCLACRDWKHKQ-GOTSBHOMSA-N 1 1 450.631 4.936 20 0 JJADMO CC[C@H](c1nnc(N(C)C[C@@H](C)c2nccs2)n1CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC001545722604 1066978084 /nfs/dbraw/zinc/97/80/84/1066978084.db2.gz XISNXZMQXNJQTC-GGAORHGYSA-N 1 1 495.741 4.542 20 0 JJADMO CC[C@H](c1nnc(N(C)C[C@@H](C)c2nccs2)n1CC[N@@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001545722604 1066978095 /nfs/dbraw/zinc/97/80/95/1066978095.db2.gz XISNXZMQXNJQTC-GGAORHGYSA-N 1 1 495.741 4.542 20 0 JJADMO CC[C@H](c1nnc(N(C)C[C@@H](C)c2nccs2)n1CC[N@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001545722604 1066978106 /nfs/dbraw/zinc/97/81/06/1066978106.db2.gz XISNXZMQXNJQTC-GGAORHGYSA-N 1 1 495.741 4.542 20 0 JJADMO CC[C@@H](c1nnc(N(C)CC2CCCCC2)n1CC[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001545724134 1066980318 /nfs/dbraw/zinc/98/03/18/1066980318.db2.gz MJUJPURDVUGNNS-XMMPIXPASA-N 1 1 453.675 4.947 20 0 JJADMO CC[C@@H](c1nnc(N(C)CC2CCCCC2)n1CC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001545724134 1066980330 /nfs/dbraw/zinc/98/03/30/1066980330.db2.gz MJUJPURDVUGNNS-XMMPIXPASA-N 1 1 453.675 4.947 20 0 JJADMO CC[C@H](c1nnc(N(C)CC2CCCCC2)n1C[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC001545724215 1066980546 /nfs/dbraw/zinc/98/05/46/1066980546.db2.gz NMONFAMXWFATFI-DHLKQENFSA-N 1 1 453.675 4.805 20 0 JJADMO CC[C@@H](c1nnc(N(C)C[C@@H]2CCCOC2)n1CCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC001545724779 1066981722 /nfs/dbraw/zinc/98/17/22/1066981722.db2.gz WYAJOYMAFQGAFB-GIFXNVAJSA-N 1 1 453.675 4.947 20 0 JJADMO COc1ccc(C(=O)Nc2cc(C)nn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC(F)F)c1 ZINC001458122372 1066981979 /nfs/dbraw/zinc/98/19/79/1066981979.db2.gz BKVIPHDPVGHHNH-GOSISDBHSA-N 1 1 456.493 4.501 20 0 JJADMO CC[C@@H](c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC1CCC(OC)CC1)c1ccccc1 ZINC001545726631 1066983859 /nfs/dbraw/zinc/98/38/59/1066983859.db2.gz UJPKIGQGELGWKW-YVIQJVFOSA-N 1 1 483.701 4.571 20 0 JJADMO CC[C@@H](c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC1CCC(OC)CC1)c1ccccc1 ZINC001545726631 1066983870 /nfs/dbraw/zinc/98/38/70/1066983870.db2.gz UJPKIGQGELGWKW-YVIQJVFOSA-N 1 1 483.701 4.571 20 0 JJADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC001449176970 1066987984 /nfs/dbraw/zinc/98/79/84/1066987984.db2.gz QHYIOVGPFWDZIN-SFHLNBCPSA-N 1 1 451.677 4.522 20 0 JJADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC001449176935 1066988101 /nfs/dbraw/zinc/98/81/01/1066988101.db2.gz QHYIOVGPFWDZIN-SBHAEUEKSA-N 1 1 451.677 4.522 20 0 JJADMO C[N@@H+]1CCN(C(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)C[C@H]1Cc1ccccc1 ZINC001449182684 1066988498 /nfs/dbraw/zinc/98/84/98/1066988498.db2.gz YGINBPLLRDARNE-HXUWFJFHSA-N 1 1 451.014 4.957 20 0 JJADMO C[N@H+]1CCN(C(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)C[C@H]1Cc1ccccc1 ZINC001449182684 1066988507 /nfs/dbraw/zinc/98/85/07/1066988507.db2.gz YGINBPLLRDARNE-HXUWFJFHSA-N 1 1 451.014 4.957 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](C)CC(C)(C)C2)n1CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC001545730939 1066989213 /nfs/dbraw/zinc/98/92/13/1066989213.db2.gz IAUBKQNVCRCDLI-QLBJFCOMSA-N 1 1 467.702 4.929 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CC(C)(C)C(F)(F)F)c1ccccc1 ZINC001545731068 1066989717 /nfs/dbraw/zinc/98/97/17/1066989717.db2.gz JLHZLZSEZNBFCX-TYPHKJRUSA-N 1 1 479.591 4.565 20 0 JJADMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1cccc(C)c1Br ZINC001458154589 1066990377 /nfs/dbraw/zinc/99/03/77/1066990377.db2.gz OLDJMKZTRJVVPJ-JTSKRJEESA-N 1 1 458.444 4.763 20 0 JJADMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1cccc(C)c1Br ZINC001458154589 1066990390 /nfs/dbraw/zinc/99/03/90/1066990390.db2.gz OLDJMKZTRJVVPJ-JTSKRJEESA-N 1 1 458.444 4.763 20 0 JJADMO CC(C)(C)OC(=O)N1CCC(CCC(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)CC1 ZINC001449226715 1066990949 /nfs/dbraw/zinc/99/09/49/1066990949.db2.gz JADZERBQIWZEON-JOCHJYFZSA-N 1 1 455.599 4.654 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](C)CC(C)(C)C2)n1C[C@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001545731897 1066992074 /nfs/dbraw/zinc/99/20/74/1066992074.db2.gz UUSWAGQKGGTGGE-DGWZTRNLSA-N 1 1 480.745 4.966 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@@H](CC)[C@@H]([NH+]3CCOCC3)C2)n1CC(C)(C)SC)c1ccccc1 ZINC001545731835 1066992164 /nfs/dbraw/zinc/99/21/64/1066992164.db2.gz SXSNKABWKNVHRN-MZYLBHOOSA-N 1 1 471.715 4.509 20 0 JJADMO CCC[N@@H+](C)[C@@H](CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC001449261857 1066993541 /nfs/dbraw/zinc/99/35/41/1066993541.db2.gz CIAMTZVMLDWMII-IBGZPJMESA-N 1 1 456.801 4.576 20 0 JJADMO CCC[N@@H+](C)[C@H](CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC001449261861 1066993738 /nfs/dbraw/zinc/99/37/38/1066993738.db2.gz CIAMTZVMLDWMII-LJQANCHMSA-N 1 1 456.801 4.576 20 0 JJADMO CC[C@@H](c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1C[C@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC001545733445 1066994828 /nfs/dbraw/zinc/99/48/28/1066994828.db2.gz BNJLMDOQJBWCSC-UWUFEASWSA-N 1 1 493.618 4.692 20 0 JJADMO CCC(CC)(C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccc(Cl)cc1 ZINC001449291235 1066995725 /nfs/dbraw/zinc/99/57/25/1066995725.db2.gz VGPJBZUEMRTAPY-RUZDIDTESA-N 1 1 454.058 4.817 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CC[N@@H+](C)C(C)C)c1ccccc1 ZINC001545734359 1066997184 /nfs/dbraw/zinc/99/71/84/1066997184.db2.gz REAGFMQIQFBFQS-HXUWFJFHSA-N 1 1 465.564 4.508 20 0 JJADMO CC[C@@H](c1nnc(N2CC[C@H](C)[C@@H](OC)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545735898 1066999283 /nfs/dbraw/zinc/99/92/83/1066999283.db2.gz IDNGLLVTVGFHSO-YBGCIBKWSA-N 1 1 483.701 4.569 20 0 JJADMO CC[C@H](c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001545736613 1067000538 /nfs/dbraw/zinc/00/05/38/1067000538.db2.gz SPDPHXQVHUGIPF-REWPJTCUSA-N 1 1 492.634 4.625 20 0 JJADMO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N3C[C@H](c4ccccc4C)C[C@H]3C)c2c1C ZINC001458197803 1067001960 /nfs/dbraw/zinc/00/19/60/1067001960.db2.gz LPFYINPGLYABRG-SJLPKXTDSA-N 1 1 452.624 4.929 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CCNC(=O)C(C)(C)C)c1ccccc1 ZINC001545738560 1067003034 /nfs/dbraw/zinc/00/30/34/1067003034.db2.gz KAXZUDIKDPCCMO-XMMPIXPASA-N 1 1 482.717 4.539 20 0 JJADMO CC[C@@H](c1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1CC(C)(C)C(C)C)c1ccccc1 ZINC001545740634 1067005711 /nfs/dbraw/zinc/00/57/11/1067005711.db2.gz AZKUDMWSLANADR-JWQCQUIFSA-N 1 1 466.718 4.718 20 0 JJADMO CC[C@H](c1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1CC(C)(C)C(C)C)c1ccccc1 ZINC001545740636 1067005769 /nfs/dbraw/zinc/00/57/69/1067005769.db2.gz AZKUDMWSLANADR-RPBOFIJWSA-N 1 1 466.718 4.718 20 0 JJADMO C[N@H+](CCC(F)(F)F)[C@H](CNC(=O)c1c[nH]c(Br)c1)c1ccc(Cl)cc1 ZINC001449404913 1067007436 /nfs/dbraw/zinc/00/74/36/1067007436.db2.gz OAJRMPZFNVCQMR-CQSZACIVSA-N 1 1 452.702 4.786 20 0 JJADMO C[N@@H+](CCC(F)(F)F)[C@H](CNC(=O)c1c[nH]c(Br)c1)c1ccc(Cl)cc1 ZINC001449404913 1067007440 /nfs/dbraw/zinc/00/74/40/1067007440.db2.gz OAJRMPZFNVCQMR-CQSZACIVSA-N 1 1 452.702 4.786 20 0 JJADMO C[N@H+](CCC(F)(F)F)[C@H](CNC(=O)c1ccc(-c2ncon2)cc1)c1ccc(Cl)cc1 ZINC001449409757 1067008039 /nfs/dbraw/zinc/00/80/39/1067008039.db2.gz YDFWCRZFCUPIDA-GOSISDBHSA-N 1 1 452.864 4.745 20 0 JJADMO C[N@@H+](CCC(F)(F)F)[C@H](CNC(=O)c1ccc(-c2ncon2)cc1)c1ccc(Cl)cc1 ZINC001449409757 1067008051 /nfs/dbraw/zinc/00/80/51/1067008051.db2.gz YDFWCRZFCUPIDA-GOSISDBHSA-N 1 1 452.864 4.745 20 0 JJADMO CN(C)c1cc(Br)cc(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001458230947 1067008591 /nfs/dbraw/zinc/00/85/91/1067008591.db2.gz OVWCKXRHZJZQPP-OFAXGOBFSA-N 1 1 456.428 4.546 20 0 JJADMO CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001458234334 1067009125 /nfs/dbraw/zinc/00/91/25/1067009125.db2.gz VJYRJBHPNQCYRP-XQUALCHDSA-N 1 1 457.659 4.733 20 0 JJADMO COc1ccc(CCCCC(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1OC ZINC001458242602 1067010543 /nfs/dbraw/zinc/01/05/43/1067010543.db2.gz GMHVHJXCWRVQBH-DSNGMDLFSA-N 1 1 450.623 4.834 20 0 JJADMO CC[C@H](c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CC[N@@H+](C)C1CCCC1)c1ccccc1 ZINC001545744048 1067011126 /nfs/dbraw/zinc/01/11/26/1067011126.db2.gz VPRKXMMJVOITRA-NRFANRHFSA-N 1 1 479.591 4.588 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001545745658 1067012493 /nfs/dbraw/zinc/01/24/93/1067012493.db2.gz DUYJHVWHJQZXHI-DGWZTRNLSA-N 1 1 494.728 4.826 20 0 JJADMO CC(C)C[C@H](C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)N1CCCCC1=O ZINC001458259459 1067015032 /nfs/dbraw/zinc/01/50/32/1067015032.db2.gz QEHZRGQVBJZITI-OAQYLSRUSA-N 1 1 454.442 4.501 20 0 JJADMO CC(C)C[C@@H](C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)N1CCCCC1=O ZINC001458259453 1067015056 /nfs/dbraw/zinc/01/50/56/1067015056.db2.gz QEHZRGQVBJZITI-NRFANRHFSA-N 1 1 454.442 4.501 20 0 JJADMO COc1ccc(COCCC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC001458260489 1067015447 /nfs/dbraw/zinc/01/54/47/1067015447.db2.gz RATCUIIDHBRXSD-UHFFFAOYSA-N 1 1 451.394 4.690 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC001545748486 1067016932 /nfs/dbraw/zinc/01/69/32/1067016932.db2.gz BDQCBYBJPITTPC-ISJGIBHGSA-N 1 1 494.728 4.681 20 0 JJADMO C[C@@H]1CN(C(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC001449678850 1067020009 /nfs/dbraw/zinc/02/00/09/1067020009.db2.gz KJUXEQSRAWZEDN-SFHVURJKSA-N 1 1 457.018 4.854 20 0 JJADMO COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC001458284996 1067020798 /nfs/dbraw/zinc/02/07/98/1067020798.db2.gz VBVBSIBWQCTBGW-URXFXBBRSA-N 1 1 452.595 4.980 20 0 JJADMO CC[C@@H](c1nnc(N2CCCC[C@@H](C)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545751399 1067023867 /nfs/dbraw/zinc/02/38/67/1067023867.db2.gz FLTWHRSMSAXQNQ-QLBJFCOMSA-N 1 1 453.675 4.803 20 0 JJADMO CC[C@@H](c1nnc(N2CCCC[C@H](C)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545751400 1067023939 /nfs/dbraw/zinc/02/39/39/1067023939.db2.gz FLTWHRSMSAXQNQ-ZKMPZPQNSA-N 1 1 453.675 4.803 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC[C@H]1CCO[C@H](C)C1)c1ccccc1 ZINC001545751507 1067024293 /nfs/dbraw/zinc/02/42/93/1067024293.db2.gz GXIWFWCYJXFALU-GIFXNVAJSA-N 1 1 453.675 4.946 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC[C@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC001545751509 1067024353 /nfs/dbraw/zinc/02/43/53/1067024353.db2.gz GXIWFWCYJXFALU-SONWIMMPSA-N 1 1 453.675 4.946 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCNC(=O)c1cccs1)c1ccccc1 ZINC001545751653 1067024451 /nfs/dbraw/zinc/02/44/51/1067024451.db2.gz JKMKQJBYGWATJP-JOCHJYFZSA-N 1 1 494.709 4.622 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1nc(C)c(C)s1)c1ccccc1 ZINC001545752055 1067026588 /nfs/dbraw/zinc/02/65/88/1067026588.db2.gz PZWPXFLLDBHJFX-JOCHJYFZSA-N 1 1 452.672 4.862 20 0 JJADMO CC[C@H](Cn1c(N2CC[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]32)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546016651 1067026860 /nfs/dbraw/zinc/02/68/60/1067026860.db2.gz IBBJAQFXYLALTC-YTFSRNRJSA-N 1 1 496.700 4.937 20 0 JJADMO CC[C@H](Cn1c(N2CC[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]32)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546016651 1067026877 /nfs/dbraw/zinc/02/68/77/1067026877.db2.gz IBBJAQFXYLALTC-YTFSRNRJSA-N 1 1 496.700 4.937 20 0 JJADMO CC[C@H](Cn1c(N2CCC[N@H+](C(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 ZINC001546017493 1067030298 /nfs/dbraw/zinc/03/02/98/1067030298.db2.gz VRGWNPILWRTZIB-LXFBAYGMSA-N 1 1 483.701 4.823 20 0 JJADMO CC[C@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC[N@@H+](CC)C(C)C)c1ccccc1 ZINC001545754648 1067031241 /nfs/dbraw/zinc/03/12/41/1067031241.db2.gz RRLIUFNKGUYWNA-VWNXMTODSA-N 1 1 498.716 4.996 20 0 JJADMO O=c1c(Cl)c(NC[C@@H]2CCC[N@H+]2C2CCCCC2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC001458344315 1067036655 /nfs/dbraw/zinc/03/66/55/1067036655.db2.gz QUMNSOSUKJJKSI-INIZCTEOSA-N 1 1 455.912 4.509 20 0 JJADMO CC[C@H](c1nnc(N2CCN(CC)[C@@H](C)C2)n1CC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC001545758414 1067037351 /nfs/dbraw/zinc/03/73/51/1067037351.db2.gz GSTSANMXHYERRQ-UPVQGACJSA-N 1 1 452.691 4.615 20 0 JJADMO CC[C@@H](c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1CC1CCC(F)(F)CC1)c1ccccc1 ZINC001545758350 1067037452 /nfs/dbraw/zinc/03/74/52/1067037452.db2.gz FDQRHYSJEJUSLE-NFBKMPQASA-N 1 1 475.628 4.802 20 0 JJADMO FC(F)(F)c1ccc(I)c(NC[C@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC001458346991 1067037939 /nfs/dbraw/zinc/03/79/39/1067037939.db2.gz NCWLIVNBTZDGQI-CYBMUJFWSA-N 1 1 453.290 4.914 20 0 JJADMO CC[C@H](c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1Cc1cccc(C(F)(F)F)n1)c1ccccc1 ZINC001545758681 1067039914 /nfs/dbraw/zinc/03/99/14/1067039914.db2.gz LKCIPWOZNJXIFV-NQIIRXRSSA-N 1 1 472.559 4.813 20 0 JJADMO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C3(Sc4ccc(C)cc4)CCCC3)cc2)CC1 ZINC001458352322 1067040234 /nfs/dbraw/zinc/04/02/34/1067040234.db2.gz SGTZYCCWSIAMSZ-UHFFFAOYSA-N 1 1 451.636 4.703 20 0 JJADMO CC[C@@H](c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CCC1(COC)CCCC1)c1ccccc1 ZINC001545759251 1067041246 /nfs/dbraw/zinc/04/12/46/1067041246.db2.gz VDOUSNLLYCNTHG-LADGPHEKSA-N 1 1 453.675 4.947 20 0 JJADMO CC[C@H](c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CCC1(COC)CCCC1)c1ccccc1 ZINC001545759252 1067041620 /nfs/dbraw/zinc/04/16/20/1067041620.db2.gz VDOUSNLLYCNTHG-UPVQGACJSA-N 1 1 453.675 4.947 20 0 JJADMO CC[C@H](c1nnc(N2CCN(CC(F)(F)F)CC2)n1CCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC001545759341 1067042206 /nfs/dbraw/zinc/04/22/06/1067042206.db2.gz WNKVVJIIGDOKEH-GGAORHGYSA-N 1 1 492.634 4.769 20 0 JJADMO CC[C@H](c1nnc(N2CC[NH+](CCOC)CC2)n1C[C@H]1CCCCC(F)(F)C1)c1ccccc1 ZINC001545759552 1067042917 /nfs/dbraw/zinc/04/29/17/1067042917.db2.gz ZLFVXXDQERVCPV-GMAHTHKFSA-N 1 1 475.628 4.804 20 0 JJADMO CCOC(=O)c1cnc(CC)nc1NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC001458367985 1067043342 /nfs/dbraw/zinc/04/33/42/1067043342.db2.gz DEPMZICCRPSDAC-KRWDZBQOSA-N 1 1 458.912 4.907 20 0 JJADMO O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC001450046624 1067044352 /nfs/dbraw/zinc/04/43/52/1067044352.db2.gz JPKSVVYYSBCQIV-RTWAWAEBSA-N 1 1 459.403 4.891 20 0 JJADMO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Oc1cc(Cl)cnc1Br ZINC001458371247 1067044659 /nfs/dbraw/zinc/04/46/59/1067044659.db2.gz WHAPACGRHAYASX-CQSZACIVSA-N 1 1 453.764 4.970 20 0 JJADMO C[C@H]1CN(C(=O)[C@H](Oc2ccc(Br)cc2)c2ccccc2)CC[N@H+](C2CCC2)C1 ZINC001450059751 1067045998 /nfs/dbraw/zinc/04/59/98/1067045998.db2.gz DLFIOFMZICEZMT-WZONZLPQSA-N 1 1 457.412 4.902 20 0 JJADMO O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC001450068977 1067046913 /nfs/dbraw/zinc/04/69/13/1067046913.db2.gz YJUDGZPLICCHML-JOCHJYFZSA-N 1 1 454.492 4.521 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)C(C)(C)C ZINC001450079372 1067047846 /nfs/dbraw/zinc/04/78/46/1067047846.db2.gz WZWAUQIYVMYGAB-OAQYLSRUSA-N 1 1 452.599 4.912 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)Cc1c[nH]c2nccc(Cl)c12 ZINC001450113811 1067049579 /nfs/dbraw/zinc/04/95/79/1067049579.db2.gz JMPOEXUHRNUUOP-JOCHJYFZSA-N 1 1 453.030 4.951 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)Cc1cncn1Cc1ccccc1 ZINC001450109781 1067049729 /nfs/dbraw/zinc/04/97/29/1067049729.db2.gz FSANTWKBFZPBIG-MUUNZHRXSA-N 1 1 458.650 4.666 20 0 JJADMO CC[C@]1(C)CN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CCO1 ZINC001546100343 1067054816 /nfs/dbraw/zinc/05/48/16/1067054816.db2.gz XFTGWDJLGKQFFY-LEAFIULHSA-N 1 1 467.702 4.827 20 0 JJADMO CC[C@]1(C)CN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC[N@@H+](C)C(C)C)CCO1 ZINC001546100396 1067055266 /nfs/dbraw/zinc/05/52/66/1067055266.db2.gz YLHAYDRARLIRCC-AREMUKBSSA-N 1 1 457.663 4.634 20 0 JJADMO C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001450198906 1067059217 /nfs/dbraw/zinc/05/92/17/1067059217.db2.gz NZNBCFPGGZONJW-CEMLEFRQSA-N 1 1 471.667 4.773 20 0 JJADMO C[N@H+]1CC[C@H](CNC(=O)c2cnc(OCC3CC3)c(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458448987 1067063758 /nfs/dbraw/zinc/06/37/58/1067063758.db2.gz QVPFNPVUFCDQPL-FOIQADDNSA-N 1 1 452.357 4.739 20 0 JJADMO CCC(CC)(Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)OC ZINC001545774457 1067066908 /nfs/dbraw/zinc/06/69/08/1067066908.db2.gz QDBJMEUTKPVPPI-GOSISDBHSA-N 1 1 494.453 4.726 20 0 JJADMO CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)SC ZINC001545777678 1067071943 /nfs/dbraw/zinc/07/19/43/1067071943.db2.gz JTHXRYXXIPRLFY-NRFANRHFSA-N 1 1 466.699 4.916 20 0 JJADMO CCC(CC)(Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)SC ZINC001545777987 1067072915 /nfs/dbraw/zinc/07/29/15/1067072915.db2.gz SSKNQLKGERBAPW-NQIIRXRSSA-N 1 1 478.106 4.677 20 0 JJADMO CCC(CC)(Cn1c(-c2cccnc2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)SC ZINC001545779045 1067073788 /nfs/dbraw/zinc/07/37/88/1067073788.db2.gz ARFRPBUEDNLSCF-OYRHEFFESA-N 1 1 486.730 4.588 20 0 JJADMO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N[C@H](C)c3ccc4c(c3)CCCO4)c2c1C ZINC001458498738 1067075488 /nfs/dbraw/zinc/07/54/88/1067075488.db2.gz GQJPAZLNEFHUMF-OAHLLOKOSA-N 1 1 454.596 4.736 20 0 JJADMO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N[C@@H](C)c3ccc4c(c3)CCCO4)c2c1C ZINC001458498734 1067075577 /nfs/dbraw/zinc/07/55/77/1067075577.db2.gz GQJPAZLNEFHUMF-HNNXBMFYSA-N 1 1 454.596 4.736 20 0 JJADMO CCOc1ccc([C@H](O)C2CCN(C(=O)[C@@H]3CCCC[N@H+]3Cc3cccc(C)c3)CC2)cc1 ZINC001450415978 1067078972 /nfs/dbraw/zinc/07/89/72/1067078972.db2.gz RPPDLMBIAGZXKJ-SVBPBHIXSA-N 1 1 450.623 4.720 20 0 JJADMO CCC(O)(CC)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001546022762 1067080389 /nfs/dbraw/zinc/08/03/89/1067080389.db2.gz MJVNTWWLZPRQDZ-UHFFFAOYSA-N 1 1 464.658 4.663 20 0 JJADMO CC[C@]1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2CCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC001546101705 1067081040 /nfs/dbraw/zinc/08/10/40/1067081040.db2.gz JJJSXLCDOWVZTL-NBGIEHNGSA-N 1 1 476.065 4.780 20 0 JJADMO COc1ccc(Br)cc1C(=O)CCC(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC001450459472 1067082375 /nfs/dbraw/zinc/08/23/75/1067082375.db2.gz CQEWTQQZUJJBNY-UHFFFAOYSA-N 1 1 456.340 4.862 20 0 JJADMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)C1C[C@H]2CCC[C@@H](C1)C2NC(=O)OC(C)(C)C ZINC001458534588 1067083594 /nfs/dbraw/zinc/08/35/94/1067083594.db2.gz LQYREYWSOGUGKF-OIRDZHBESA-N 1 1 457.659 4.733 20 0 JJADMO CCC(CC)(Cn1c(CC(C)C)nnc1N1CCC[C@]2(C1)C[N@H+](Cc1ccccc1)CCO2)OC ZINC001545788163 1067083610 /nfs/dbraw/zinc/08/36/10/1067083610.db2.gz LGKXUENXMOUJDU-MUUNZHRXSA-N 1 1 483.701 4.553 20 0 JJADMO CCC(CC)(Cn1c(CC(C)C)nnc1N1CCC[C@]2(C1)C[N@@H+](Cc1ccccc1)CCO2)OC ZINC001545788163 1067083628 /nfs/dbraw/zinc/08/36/28/1067083628.db2.gz LGKXUENXMOUJDU-MUUNZHRXSA-N 1 1 483.701 4.553 20 0 JJADMO CCC(CC)(Cn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](Cc2cccs2)CC1)OC ZINC001545788293 1067084698 /nfs/dbraw/zinc/08/46/98/1067084698.db2.gz PAWYGJSOLVYUPF-UHFFFAOYSA-N 1 1 489.636 4.736 20 0 JJADMO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001450524684 1067086314 /nfs/dbraw/zinc/08/63/14/1067086314.db2.gz QFLUSQQCBFJQFC-KRWDZBQOSA-N 1 1 450.549 4.634 20 0 JJADMO C[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1ccc(N2CCCCC2=O)cc1 ZINC001450541399 1067088712 /nfs/dbraw/zinc/08/87/12/1067088712.db2.gz OBUJTSLYGDVGHT-XXBNENTESA-N 1 1 455.549 4.538 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccc2ccccc2c1 ZINC001458568335 1067088907 /nfs/dbraw/zinc/08/89/07/1067088907.db2.gz QHKCFHSAAQZKEN-RLWLMLJZSA-N 1 1 457.590 4.734 20 0 JJADMO CCOc1ccc(C(=O)CCC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)cc1OCC ZINC001545795380 1067095666 /nfs/dbraw/zinc/09/56/66/1067095666.db2.gz FQUPJUHOAARJQY-SFTDATJTSA-N 1 1 452.595 4.568 20 0 JJADMO CCOc1ccc(C(=O)CCC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1OCC ZINC001545795380 1067095682 /nfs/dbraw/zinc/09/56/82/1067095682.db2.gz FQUPJUHOAARJQY-SFTDATJTSA-N 1 1 452.595 4.568 20 0 JJADMO CCC(CC)(Cn1c([C@H]2CCCO2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)NC(=O)OC(C)(C)C ZINC001545796417 1067096300 /nfs/dbraw/zinc/09/63/00/1067096300.db2.gz FMEQPPCALPSEDA-HXUWFJFHSA-N 1 1 492.709 4.524 20 0 JJADMO CC(C)(O)c1cnc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)s1 ZINC001450640833 1067098079 /nfs/dbraw/zinc/09/80/79/1067098079.db2.gz IIQKKSDGBJHIFV-VQTJNVASSA-N 1 1 456.011 4.878 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl ZINC001458626505 1067098415 /nfs/dbraw/zinc/09/84/15/1067098415.db2.gz HGNAAGYZKYEKQK-UWJYYQICSA-N 1 1 458.002 4.866 20 0 JJADMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2 ZINC001450771058 1067118357 /nfs/dbraw/zinc/11/83/57/1067118357.db2.gz QWECXTQDZVGHPS-AWEZNQCLSA-N 1 1 456.940 4.883 20 0 JJADMO CC[C@H](c1nnc(SCc2cccnc2C(F)(F)F)n1-c1ccc(OC)cc1)[NH+](C)C ZINC001458727490 1067119669 /nfs/dbraw/zinc/11/96/69/1067119669.db2.gz CCHKNIPEZDOQPP-QGZVFWFLSA-N 1 1 451.518 4.995 20 0 JJADMO CCC(CC)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCN2CCCC[C@H]2C1)[NH+](C)C ZINC001545805774 1067121558 /nfs/dbraw/zinc/12/15/58/1067121558.db2.gz RWSXWSPKZCDTNC-GOTSBHOMSA-N 1 1 459.082 4.639 20 0 JJADMO CCC(CC)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCN2CCCC[C@@H]2C1)[NH+](C)C ZINC001545805773 1067121716 /nfs/dbraw/zinc/12/17/16/1067121716.db2.gz RWSXWSPKZCDTNC-DHIUTWEWSA-N 1 1 459.082 4.639 20 0 JJADMO C[C@H]1[C@@H](NC(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)CC[N@H+]1Cc1ccccc1 ZINC001450796599 1067122516 /nfs/dbraw/zinc/12/25/16/1067122516.db2.gz OYKZQCYYPJEJMR-SBUREZEXSA-N 1 1 452.549 4.976 20 0 JJADMO Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NC[C@H]1CCCC[N@@H+](Cc3ccccc3)C1)O2 ZINC001450846970 1067131781 /nfs/dbraw/zinc/13/17/81/1067131781.db2.gz KQYWCKDPLOZBSC-LXFBAYGMSA-N 1 1 450.623 4.820 20 0 JJADMO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(C)C)CC1)[NH+](C)C ZINC001545808336 1067133550 /nfs/dbraw/zinc/13/35/50/1067133550.db2.gz WVRUBXBDXNBRGS-QFIPXVFZSA-N 1 1 465.061 4.634 20 0 JJADMO CC[N@H+]1CCCN(C(=O)c2ccc(C)c(OCc3csc(Br)c3)c2)[C@H](C)C1 ZINC001450973965 1067138026 /nfs/dbraw/zinc/13/80/26/1067138026.db2.gz GIOPHUJTCVSLEN-MRXNPFEDSA-N 1 1 451.430 4.954 20 0 JJADMO CCC(O)(CC)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001546028119 1067141958 /nfs/dbraw/zinc/14/19/58/1067141958.db2.gz XBFTXRBLWLNPTF-JTHBVZDNSA-N 1 1 469.674 4.594 20 0 JJADMO CCC(CC)[C@@H](Cn1c(C2CCCC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)N1CCOCC1 ZINC001545815740 1067145079 /nfs/dbraw/zinc/14/50/79/1067145079.db2.gz UVYNZRXXDNDUIL-RUZDIDTESA-N 1 1 488.765 4.631 20 0 JJADMO COc1ccc(CCNc2nnc(S[C@@H]3CC[N@@H+](Cc4ccccc4)C3)s2)cc1OC ZINC001458784689 1067146006 /nfs/dbraw/zinc/14/60/06/1067146006.db2.gz VFGCPCVHKBXDJZ-LJQANCHMSA-N 1 1 456.637 4.577 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)C1 ZINC001451106519 1067146823 /nfs/dbraw/zinc/14/68/23/1067146823.db2.gz IBGMAERETPNGEM-VYKTZEHYSA-N 1 1 481.612 4.557 20 0 JJADMO Cc1nc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)sc1Br ZINC001451125426 1067148083 /nfs/dbraw/zinc/14/80/83/1067148083.db2.gz JRYIBECXMPQJQR-RBUKOAKNSA-N 1 1 474.399 4.751 20 0 JJADMO CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2ccccc2C)CC1)[NH+](C)C ZINC001545817597 1067150498 /nfs/dbraw/zinc/15/04/98/1067150498.db2.gz MCCVJRHKMGVKIM-RUZDIDTESA-N 1 1 468.734 4.864 20 0 JJADMO CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2ccccc2C)CC1)[NH+](C)C ZINC001545817598 1067150537 /nfs/dbraw/zinc/15/05/37/1067150537.db2.gz MCCVJRHKMGVKIM-VWLOTQADSA-N 1 1 468.734 4.864 20 0 JJADMO CCOc1ccc(-n2c(SCCC[NH+]3CCOCC3)nnc2-c2ccccc2Cl)cc1 ZINC001458836456 1067164884 /nfs/dbraw/zinc/16/48/84/1067164884.db2.gz ODXZYFQWWHCPLB-UHFFFAOYSA-N 1 1 459.015 4.801 20 0 JJADMO COC(=O)Cc1ccc(OC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)c(F)c1 ZINC001458838150 1067166372 /nfs/dbraw/zinc/16/63/72/1067166372.db2.gz MFTSOEUBGUXOBX-BJKOFHAPSA-N 1 1 461.533 4.671 20 0 JJADMO CCC(CC)c1cc(Cn2c(CC(C)C)nnc2N2CC[NH+](Cc3ccsc3)CC2)on1 ZINC001545824980 1067170461 /nfs/dbraw/zinc/17/04/61/1067170461.db2.gz PADLZNDHDVHSRA-UHFFFAOYSA-N 1 1 456.660 4.800 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)c(F)c2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001545826143 1067173521 /nfs/dbraw/zinc/17/35/21/1067173521.db2.gz GZRUGUWXSXVEQW-VGOFRKELSA-N 1 1 490.643 4.793 20 0 JJADMO O=C(c1cc(Br)ccc1OCc1ccccc1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001451473904 1067173870 /nfs/dbraw/zinc/17/38/70/1067173870.db2.gz OZKJSTXZALUOGM-JOCHJYFZSA-N 1 1 451.364 4.815 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2F)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001545826997 1067177241 /nfs/dbraw/zinc/17/72/41/1067177241.db2.gz YQNPQCKGVFEBKB-GHTZIAJQSA-N 1 1 470.637 4.550 20 0 JJADMO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001451585660 1067179650 /nfs/dbraw/zinc/17/96/50/1067179650.db2.gz JFDVQGASNSIHGF-BELIEFIBSA-N 1 1 469.670 4.734 20 0 JJADMO CN(C(=O)CCCc1cccc(C(F)(F)F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001458877087 1067183080 /nfs/dbraw/zinc/18/30/80/1067183080.db2.gz NXLMSYZYKKMYQK-PKTZIBPZSA-N 1 1 453.593 4.824 20 0 JJADMO CCCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)c(OCCC)c1 ZINC001458879168 1067184434 /nfs/dbraw/zinc/18/44/34/1067184434.db2.gz RGBDSCLDWTVIAK-RPBOFIJWSA-N 1 1 459.675 4.673 20 0 JJADMO CCC1(CC)CCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001546104561 1067189806 /nfs/dbraw/zinc/18/98/06/1067189806.db2.gz BENAXMLUYCGBAF-GOSISDBHSA-N 1 1 477.495 4.795 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(CC)C2CCCC2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001545843782 1067195617 /nfs/dbraw/zinc/19/56/17/1067195617.db2.gz ITMPZWKTJXRBTO-QHCPKHFHSA-N 1 1 458.695 4.763 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2)C1CCCCC1 ZINC001451877610 1067195895 /nfs/dbraw/zinc/19/58/95/1067195895.db2.gz FKJCDZJIYIRDRF-GOSISDBHSA-N 1 1 450.649 4.712 20 0 JJADMO O=C(Nc1ccc(Cl)c(I)c1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001451907918 1067197323 /nfs/dbraw/zinc/19/73/23/1067197323.db2.gz CHSHNERLYJERBM-GOSISDBHSA-N 1 1 454.739 4.938 20 0 JJADMO O=C(Nc1ccc(Cl)c(I)c1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001451907918 1067197327 /nfs/dbraw/zinc/19/73/27/1067197327.db2.gz CHSHNERLYJERBM-GOSISDBHSA-N 1 1 454.739 4.938 20 0 JJADMO CCC1(CC)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546104758 1067198391 /nfs/dbraw/zinc/19/83/91/1067198391.db2.gz IHZPUQNRWRPJTE-HDICACEKSA-N 1 1 493.494 4.552 20 0 JJADMO CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1(C)C ZINC001451950210 1067200451 /nfs/dbraw/zinc/20/04/51/1067200451.db2.gz MHQXZKOWAFRIHZ-KEZOAJOQSA-N 1 1 469.670 4.733 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1(C)C ZINC001451950607 1067200516 /nfs/dbraw/zinc/20/05/16/1067200516.db2.gz MHQXZKOWAFRIHZ-OLKYXYMISA-N 1 1 469.670 4.733 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001545848906 1067201757 /nfs/dbraw/zinc/20/17/57/1067201757.db2.gz HVJZRBAESWJNCM-QENXHYHDSA-N 1 1 494.728 4.980 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001545849153 1067202663 /nfs/dbraw/zinc/20/26/63/1067202663.db2.gz LBZRQFPQCVNMNG-RTWAWAEBSA-N 1 1 460.711 4.581 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)CC[C@H]2C)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001545849427 1067203151 /nfs/dbraw/zinc/20/31/51/1067203151.db2.gz OLDBDTHSDOWWAU-LEWJYISDSA-N 1 1 468.690 4.710 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1C[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001545849946 1067204707 /nfs/dbraw/zinc/20/47/07/1067204707.db2.gz XAUYDSPBKYTWPH-BKSPAHHJSA-N 1 1 480.701 4.516 20 0 JJADMO Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N1CCC(C[N@H+](CCO)C(C)C)CC1 ZINC001452066635 1067206071 /nfs/dbraw/zinc/20/60/71/1067206071.db2.gz LDLKYBPWUOXZPX-UHFFFAOYSA-N 1 1 454.398 4.512 20 0 JJADMO C[N@H+]1C[C@@H](CNC(=O)[C@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)[C@H](c2ccccc2)C1 ZINC001452178695 1067212174 /nfs/dbraw/zinc/21/21/74/1067212174.db2.gz JYPOFMQUYSKIDC-SMIHKQSGSA-N 1 1 457.659 4.559 20 0 JJADMO Cc1cc2cc(C(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)oc2c(Br)c1 ZINC001458972863 1067213612 /nfs/dbraw/zinc/21/36/12/1067213612.db2.gz JILIUFDIUVRTMB-IBGZPJMESA-N 1 1 457.368 4.525 20 0 JJADMO CCC(O)(CC)Cn1c(Cc2ccsc2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001546038292 1067221951 /nfs/dbraw/zinc/22/19/51/1067221951.db2.gz IFPPGDMOXYKHGD-OAQYLSRUSA-N 1 1 473.731 4.962 20 0 JJADMO CC(=O)Nc1cccc2c1CCN(C(=O)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1)C2 ZINC001452488781 1067227271 /nfs/dbraw/zinc/22/72/71/1067227271.db2.gz UHNORISZLROYPW-AREMUKBSSA-N 1 1 459.565 4.570 20 0 JJADMO O=c1c2c(ncn1CC/C=C/c1ccc(Br)cc1)C[N@@H+](Cc1ccccc1)CC2 ZINC001459024691 1067231346 /nfs/dbraw/zinc/23/13/46/1067231346.db2.gz AFMYKZHQQVHZTI-GQCTYLIASA-N 1 1 450.380 4.668 20 0 JJADMO O=c1c2c(ncn1CC/C=C/c1ccc(Br)cc1)C[N@H+](Cc1ccccc1)CC2 ZINC001459024691 1067231356 /nfs/dbraw/zinc/23/13/56/1067231356.db2.gz AFMYKZHQQVHZTI-GQCTYLIASA-N 1 1 450.380 4.668 20 0 JJADMO CCC(O)(CC)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001546041612 1067240290 /nfs/dbraw/zinc/24/02/90/1067240290.db2.gz INQACNZDRAUTDT-UHFFFAOYSA-N 1 1 471.690 4.761 20 0 JJADMO CC1(C)[C@H](NC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)C[C@H]1[NH+]1CCOCC1 ZINC001452725583 1067246458 /nfs/dbraw/zinc/24/64/58/1067246458.db2.gz IYBARYAJHISTCP-RTBURBONSA-N 1 1 454.514 4.543 20 0 JJADMO C[NH+](C)Cc1ccc(NC(=O)C2(c3cccc(Cl)c3)CCOCC2)cc1Br ZINC001459080513 1067247511 /nfs/dbraw/zinc/24/75/11/1067247511.db2.gz YTLYEMQLPZEQMD-UHFFFAOYSA-N 1 1 451.792 4.851 20 0 JJADMO CCC(O)(CC)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001546043667 1067249481 /nfs/dbraw/zinc/24/94/81/1067249481.db2.gz ZUKJVXYZGJZBQU-UEQSERJNSA-N 1 1 489.749 4.839 20 0 JJADMO Cc1ccc(C(=O)CCC(=O)CCC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)s1 ZINC001452768163 1067250055 /nfs/dbraw/zinc/25/00/55/1067250055.db2.gz HQSGSVSZYOAVRK-TYPHKJRUSA-N 1 1 454.636 4.879 20 0 JJADMO Cc1ccc(C(=O)CCC(=O)CCC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)s1 ZINC001452768163 1067250066 /nfs/dbraw/zinc/25/00/66/1067250066.db2.gz HQSGSVSZYOAVRK-TYPHKJRUSA-N 1 1 454.636 4.879 20 0 JJADMO CCC1(CC)CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001546106288 1067250761 /nfs/dbraw/zinc/25/07/61/1067250761.db2.gz PZMHNFZBMKRDMM-KRWDZBQOSA-N 1 1 466.457 4.989 20 0 JJADMO C[C@@H]1CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC001452769578 1067250850 /nfs/dbraw/zinc/25/08/50/1067250850.db2.gz JFGSUEPBQZHDDA-WTEVXDJOSA-N 1 1 455.593 4.654 20 0 JJADMO C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC001452769578 1067250855 /nfs/dbraw/zinc/25/08/55/1067250855.db2.gz JFGSUEPBQZHDDA-WTEVXDJOSA-N 1 1 455.593 4.654 20 0 JJADMO COc1ccc(CN(C(=O)Cn2c[nH+]c3c2C[C@H](C)[C@H](C)C3)[C@H](C)Cc2cccs2)cc1 ZINC001459108298 1067252580 /nfs/dbraw/zinc/25/25/80/1067252580.db2.gz WUBGNETWUBMRQP-HSALFYBXSA-N 1 1 451.636 4.984 20 0 JJADMO O=C(CS[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)Nc1ccnn1Cc1ccccc1Cl ZINC001459141412 1067259512 /nfs/dbraw/zinc/25/95/12/1067259512.db2.gz KDMSWKBXSBYXSG-OAQYLSRUSA-N 1 1 455.027 4.921 20 0 JJADMO COc1ccccc1[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1)OC(C)C ZINC001459291190 1067283604 /nfs/dbraw/zinc/28/36/04/1067283604.db2.gz UIIMIFFFSDMZOA-OYRHQHFDSA-N 1 1 479.646 4.650 20 0 JJADMO COc1ccccc1[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1)OC(C)C ZINC001459291194 1067283641 /nfs/dbraw/zinc/28/36/41/1067283641.db2.gz UIIMIFFFSDMZOA-VDKIKQQVSA-N 1 1 479.646 4.650 20 0 JJADMO Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+](Cc2ccc(Cl)c(Cl)c2)C(C)C)c(C)c1 ZINC001459318839 1067293741 /nfs/dbraw/zinc/29/37/41/1067293741.db2.gz SPHZHPROXOMGAL-UHFFFAOYSA-N 1 1 450.410 4.884 20 0 JJADMO Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C(C)C)c(C)c1 ZINC001459318839 1067293745 /nfs/dbraw/zinc/29/37/45/1067293745.db2.gz SPHZHPROXOMGAL-UHFFFAOYSA-N 1 1 450.410 4.884 20 0 JJADMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc32)C1 ZINC001453317336 1067296908 /nfs/dbraw/zinc/29/69/08/1067296908.db2.gz DFPJNKKPOVXKNE-QGZVFWFLSA-N 1 1 453.384 4.662 20 0 JJADMO Cc1ccc(S(=O)(=O)N[C@H](C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)c2ccccc2)cc1 ZINC001459350430 1067300562 /nfs/dbraw/zinc/30/05/62/1067300562.db2.gz XQGGRMHTCNVDBP-AZGAKELHSA-N 1 1 452.595 4.861 20 0 JJADMO Cc1cc(I)ccc1NC(=O)C[N@H+](CCc1ccccc1)CC(C)C ZINC001459361927 1067303419 /nfs/dbraw/zinc/30/34/19/1067303419.db2.gz DKIGCYOEOSKAMV-UHFFFAOYSA-N 1 1 450.364 4.739 20 0 JJADMO CC(C)(C)OC(=O)N1CCO[C@H](c2ccc(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)cc2)C1 ZINC001453400581 1067304499 /nfs/dbraw/zinc/30/44/99/1067304499.db2.gz NRRGLWZONFIKJT-REWPJTCUSA-N 1 1 457.615 4.588 20 0 JJADMO COCC[N@H+](CC(=O)N[C@H](C)Cc1c(F)cccc1F)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001459373351 1067306347 /nfs/dbraw/zinc/30/63/47/1067306347.db2.gz BEOAVSMRQLMKAD-CVEARBPZSA-N 1 1 458.471 4.740 20 0 JJADMO COCC[N@@H+](CC(=O)N[C@H](C)Cc1c(F)cccc1F)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001459373351 1067306354 /nfs/dbraw/zinc/30/63/54/1067306354.db2.gz BEOAVSMRQLMKAD-CVEARBPZSA-N 1 1 458.471 4.740 20 0 JJADMO CC(C)[C@@H]1CN(C(=O)Cc2ccccc2NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001453496719 1067309402 /nfs/dbraw/zinc/30/94/02/1067309402.db2.gz NVIALTXBMLWMRQ-DEOSSOPVSA-N 1 1 451.611 4.945 20 0 JJADMO CC[C@]1(C)CC[C@H](Cn2c(-c3ccccc3OC)nnc2N2CCC[N@H+](C(C)(C)C)CC2)O1 ZINC001546052163 1067310453 /nfs/dbraw/zinc/31/04/53/1067310453.db2.gz SJKPBMPGJBZPNX-FQRUVTKNSA-N 1 1 455.647 4.612 20 0 JJADMO COCc1ccccc1CNC(=O)C[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@H](C)[C@H]1C ZINC001459392047 1067311501 /nfs/dbraw/zinc/31/15/01/1067311501.db2.gz LBRVZVJNASGKDB-DCLXLUIPSA-N 1 1 452.595 4.505 20 0 JJADMO C[C@@H]1CCC[C@H]([N@@H+](CCOc2cccc(S(C)(=O)=O)c2)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC001459392852 1067312173 /nfs/dbraw/zinc/31/21/73/1067312173.db2.gz LVPATRCIGNGRIF-MSYCTHLASA-N 1 1 459.608 4.525 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCc2cc(C(C)(C)C)ccc2C1 ZINC001459395022 1067312850 /nfs/dbraw/zinc/31/28/50/1067312850.db2.gz GHHWSOAAZSBCFC-DQEYMECFSA-N 1 1 452.639 4.839 20 0 JJADMO C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC001459397124 1067313255 /nfs/dbraw/zinc/31/32/55/1067313255.db2.gz RQQAWIZBRQSWHE-GFCCVEGCSA-N 1 1 459.390 4.530 20 0 JJADMO C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC001459397124 1067313268 /nfs/dbraw/zinc/31/32/68/1067313268.db2.gz RQQAWIZBRQSWHE-GFCCVEGCSA-N 1 1 459.390 4.530 20 0 JJADMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC001459407590 1067314718 /nfs/dbraw/zinc/31/47/18/1067314718.db2.gz URBQICOXKXHQGC-URXFXBBRSA-N 1 1 451.611 4.988 20 0 JJADMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC001459407590 1067314733 /nfs/dbraw/zinc/31/47/33/1067314733.db2.gz URBQICOXKXHQGC-URXFXBBRSA-N 1 1 451.611 4.988 20 0 JJADMO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC001459410892 1067316032 /nfs/dbraw/zinc/31/60/32/1067316032.db2.gz GYTFFNVQRYHGIL-QGZVFWFLSA-N 1 1 455.580 4.780 20 0 JJADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(F)(F)c1ccc(Br)cc1 ZINC001459416256 1067318937 /nfs/dbraw/zinc/31/89/37/1067318937.db2.gz MEEWJGAGPYFVCM-IBGZPJMESA-N 1 1 451.355 4.958 20 0 JJADMO O=C(C[NH+]1CCC(n2cc(Br)cn2)CC1)Nc1cccc(Oc2ccccc2)c1 ZINC001459448458 1067326178 /nfs/dbraw/zinc/32/61/78/1067326178.db2.gz FNSMZQNXRZWAQE-UHFFFAOYSA-N 1 1 455.356 4.714 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H]([N@H+](CC(=O)Nc2ccc(F)cc2F)Cc2ccccc2)C1 ZINC001459452993 1067326756 /nfs/dbraw/zinc/32/67/56/1067326756.db2.gz AZDKIGDRZLRWCC-HXUWFJFHSA-N 1 1 459.537 4.805 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H]([N@@H+](CC(=O)Nc2ccc(F)cc2F)Cc2ccccc2)C1 ZINC001459452993 1067326762 /nfs/dbraw/zinc/32/67/62/1067326762.db2.gz AZDKIGDRZLRWCC-HXUWFJFHSA-N 1 1 459.537 4.805 20 0 JJADMO C[C@@H](O)C[N@H+](CC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2)C1CCCCC1 ZINC001459452984 1067326788 /nfs/dbraw/zinc/32/67/88/1067326788.db2.gz SYXICGMNTTZJCV-GOSISDBHSA-N 1 1 454.636 4.812 20 0 JJADMO C[C@@H](O)C[N@@H+](CC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2)C1CCCCC1 ZINC001459452984 1067326800 /nfs/dbraw/zinc/32/68/00/1067326800.db2.gz SYXICGMNTTZJCV-GOSISDBHSA-N 1 1 454.636 4.812 20 0 JJADMO CCN(CC)S(=O)(=O)c1ccc2[nH]c(C[N@@H+](CCc3ccccc3)C3CCCC3)nc2c1 ZINC001459458076 1067328442 /nfs/dbraw/zinc/32/84/42/1067328442.db2.gz ZZHMTHXIRYYTHF-UHFFFAOYSA-N 1 1 454.640 4.581 20 0 JJADMO Cc1ccc(CNC(=O)c2ccccc2NC(=O)C[N@@H+]2CCC[C@@](C)(c3ccccc3)C2)cc1 ZINC001459466818 1067331794 /nfs/dbraw/zinc/33/17/94/1067331794.db2.gz NEWKHFRDVGRZBS-GDLZYMKVSA-N 1 1 455.602 4.917 20 0 JJADMO Cc1ccc(CNC(=O)c2ccccc2NC(=O)C[N@H+]2CCC[C@@](C)(c3ccccc3)C2)cc1 ZINC001459466818 1067331809 /nfs/dbraw/zinc/33/18/09/1067331809.db2.gz NEWKHFRDVGRZBS-GDLZYMKVSA-N 1 1 455.602 4.917 20 0 JJADMO C[N@@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001459473897 1067334468 /nfs/dbraw/zinc/33/44/68/1067334468.db2.gz HCXQWSYNQAUNST-RZQQEMMASA-N 1 1 463.418 4.559 20 0 JJADMO CN(C[C@H]1CC[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1)C(=O)OC(C)(C)C ZINC001459478381 1067335401 /nfs/dbraw/zinc/33/54/01/1067335401.db2.gz NTKVVIQTCVINFO-OAHLLOKOSA-N 1 1 450.377 4.793 20 0 JJADMO CN(C[C@H]1CC[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1)C(=O)OC(C)(C)C ZINC001459478381 1067335416 /nfs/dbraw/zinc/33/54/16/1067335416.db2.gz NTKVVIQTCVINFO-OAHLLOKOSA-N 1 1 450.377 4.793 20 0 JJADMO CC(C)(C)CN1CCC[C@@H]([NH+]2CCN(c3cccc(OCc4ccc(F)cc4)c3)CC2)C1=O ZINC001459504717 1067339731 /nfs/dbraw/zinc/33/97/31/1067339731.db2.gz UPTOARBDCSRKLD-RUZDIDTESA-N 1 1 453.602 4.564 20 0 JJADMO C[C@@H](c1nc(-c2cccs2)no1)N1CC[NH+](CCc2ccc(OC(F)(F)F)cc2)CC1 ZINC001459505790 1067340186 /nfs/dbraw/zinc/34/01/86/1067340186.db2.gz XDPLLLUGFXSDRN-HNNXBMFYSA-N 1 1 452.502 4.618 20 0 JJADMO Cc1cc(C[N@H+](C)[C@@H]2CCN(C3CCOCC3)C2=O)cc(C)c1OCc1ccccc1Cl ZINC001459506801 1067340651 /nfs/dbraw/zinc/34/06/51/1067340651.db2.gz YYBCABQVOBKICM-XMMPIXPASA-N 1 1 457.014 4.748 20 0 JJADMO CCOC(=O)c1sc(-c2ccc(Cl)cc2Cl)cc1NC(=O)C[N@H+](C)CC[C@H](C)O ZINC001459518763 1067343631 /nfs/dbraw/zinc/34/36/31/1067343631.db2.gz NQJCIPFIJDUREI-LBPRGKRZSA-N 1 1 459.395 4.540 20 0 JJADMO CCOC(=O)c1sc(-c2ccc(Cl)cc2Cl)cc1NC(=O)C[N@@H+](C)CC[C@H](C)O ZINC001459518763 1067343639 /nfs/dbraw/zinc/34/36/39/1067343639.db2.gz NQJCIPFIJDUREI-LBPRGKRZSA-N 1 1 459.395 4.540 20 0 JJADMO COc1ccc(Cl)cc1C[C@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC001459530529 1067345768 /nfs/dbraw/zinc/34/57/68/1067345768.db2.gz SGUDBABODUHUGQ-CQSZACIVSA-N 1 1 452.885 4.563 20 0 JJADMO COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC001459530529 1067345770 /nfs/dbraw/zinc/34/57/70/1067345770.db2.gz SGUDBABODUHUGQ-CQSZACIVSA-N 1 1 452.885 4.563 20 0 JJADMO COc1ccc(NC(=O)c2c(NC(=O)C[N@@H+]3C[C@H](C)CC[C@H]3C)sc3c2CCCC3)cc1 ZINC001459540929 1067347795 /nfs/dbraw/zinc/34/77/95/1067347795.db2.gz LLKFMWMEKQLJOQ-IAGOWNOFSA-N 1 1 455.624 4.947 20 0 JJADMO COc1ccc(NC(=O)c2c(NC(=O)C[N@H+]3C[C@H](C)CC[C@H]3C)sc3c2CCCC3)cc1 ZINC001459540929 1067347799 /nfs/dbraw/zinc/34/77/99/1067347799.db2.gz LLKFMWMEKQLJOQ-IAGOWNOFSA-N 1 1 455.624 4.947 20 0 JJADMO CO[C@]1(C)C[C@H]([N@@H+](C)CC(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1(C)C ZINC001459554998 1067350224 /nfs/dbraw/zinc/35/02/24/1067350224.db2.gz BIIQKKQNURAQCK-HLULCQHTSA-N 1 1 451.611 4.594 20 0 JJADMO CCN(CC1CC[NH+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1)C(=O)OC(C)(C)C ZINC001459560117 1067351377 /nfs/dbraw/zinc/35/13/77/1067351377.db2.gz KJOIRLBYFVQYSG-HXUWFJFHSA-N 1 1 453.986 4.553 20 0 JJADMO CC[N@@H+](CCOc1ccc(Br)cc1)Cc1cc2c(c(Br)c1)OCO2 ZINC001459578856 1067355993 /nfs/dbraw/zinc/35/59/93/1067355993.db2.gz STHVVTYYPJBXMS-UHFFFAOYSA-N 1 1 457.162 4.841 20 0 JJADMO CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)CN(C)CC[C@@H]1CCCC[N@H+]1C ZINC001459583331 1067357036 /nfs/dbraw/zinc/35/70/36/1067357036.db2.gz QYHSUNZXSYVVQW-FQEVSTJZSA-N 1 1 457.640 4.645 20 0 JJADMO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CCN(Cc2ccccc2)C[C@H]1C ZINC001459593722 1067359437 /nfs/dbraw/zinc/35/94/37/1067359437.db2.gz MEOSSGIOFARUMM-HXUWFJFHSA-N 1 1 458.444 4.991 20 0 JJADMO Cc1cc(Br)cc(C)c1NC(=O)CCCN1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001459593722 1067359447 /nfs/dbraw/zinc/35/94/47/1067359447.db2.gz MEOSSGIOFARUMM-HXUWFJFHSA-N 1 1 458.444 4.991 20 0 JJADMO Cc1cc(Br)cc(C)c1NC(=O)CCCN1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001459593722 1067359454 /nfs/dbraw/zinc/35/94/54/1067359454.db2.gz MEOSSGIOFARUMM-HXUWFJFHSA-N 1 1 458.444 4.991 20 0 JJADMO CC(C)[N@@H+](CCOc1ccc2cc(Br)ccc2c1)C[C@H](O)CC1(O)CCCC1 ZINC001459599068 1067360441 /nfs/dbraw/zinc/36/04/41/1067360441.db2.gz WEPUTXQROVRANB-OAQYLSRUSA-N 1 1 450.417 4.748 20 0 JJADMO COc1cc(CNC(=O)C[N@@H+](C2CC2)[C@@H]2CCCC[C@H]2C2CCCCC2)cc(OC)c1OC ZINC001459601684 1067360677 /nfs/dbraw/zinc/36/06/77/1067360677.db2.gz XVBNGHVYHYPORS-XZOQPEGZSA-N 1 1 458.643 4.932 20 0 JJADMO O=C(C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1)NCc1ccc(OC(F)(F)F)cc1 ZINC001459604568 1067361414 /nfs/dbraw/zinc/36/14/14/1067361414.db2.gz AJWBHFHNGVZOQO-IEBWSBKVSA-N 1 1 456.530 4.631 20 0 JJADMO CCC[N@@H+](C)C[C@@H]1CCN(CC(=O)Nc2cc(-c3cc(C)cc(C)c3)nn2-c2ccccc2)C1 ZINC001459606781 1067361648 /nfs/dbraw/zinc/36/16/48/1067361648.db2.gz HJVUPLFGNLYLDT-QHCPKHFHSA-N 1 1 459.638 4.758 20 0 JJADMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1OC ZINC001459610422 1067363108 /nfs/dbraw/zinc/36/31/08/1067363108.db2.gz APJCTOYAPXYRDU-RHSMWYFYSA-N 1 1 453.366 4.881 20 0 JJADMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1OC ZINC001459610422 1067363118 /nfs/dbraw/zinc/36/31/18/1067363118.db2.gz APJCTOYAPXYRDU-RHSMWYFYSA-N 1 1 453.366 4.881 20 0 JJADMO Cc1cc(NC(=O)C[N@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)n(-c2ccc(F)cc2)n1 ZINC001459611898 1067363729 /nfs/dbraw/zinc/36/37/29/1067363729.db2.gz YTSTVFXNNKGQGR-SFTDATJTSA-N 1 1 456.587 4.688 20 0 JJADMO CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2cc(-c3cc(C)ccc3C)nn2-c2ccccc2)C[C@H]1C ZINC001459613039 1067364196 /nfs/dbraw/zinc/36/41/96/1067364196.db2.gz JJBCXRGUPHPFFY-VWNXMTODSA-N 1 1 459.638 4.899 20 0 JJADMO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001459615908 1067365259 /nfs/dbraw/zinc/36/52/59/1067365259.db2.gz PBYGSTVYZWFAEI-LUZMIZLMSA-N 1 1 451.611 4.879 20 0 JJADMO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001459615908 1067365266 /nfs/dbraw/zinc/36/52/66/1067365266.db2.gz PBYGSTVYZWFAEI-LUZMIZLMSA-N 1 1 451.611 4.879 20 0 JJADMO Cc1cc(C(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)cc(C)c1OC(F)F ZINC001459618514 1067365566 /nfs/dbraw/zinc/36/55/66/1067365566.db2.gz RFCJEUDAKNYOOH-UHFFFAOYSA-N 1 1 455.505 4.954 20 0 JJADMO NS(=O)(=O)c1ccc(CC[N@@H+](CC2(c3ccc(Cl)c(Cl)c3)CCC2)C2CC2)cc1 ZINC001459619851 1067365964 /nfs/dbraw/zinc/36/59/64/1067365964.db2.gz GOXQDDJWMDTTJS-UHFFFAOYSA-N 1 1 453.435 4.770 20 0 JJADMO COc1ccc([C@H](CNC(=O)OC(C)(C)C)CN2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)cc1 ZINC001459627487 1067367729 /nfs/dbraw/zinc/36/77/29/1067367729.db2.gz RTTHPQPVDZJJHA-RPWUZVMVSA-N 1 1 453.627 4.510 20 0 JJADMO COc1ccc([C@H](CNC(=O)OC(C)(C)C)C[N@@H+]2CC[C@H](N(C)Cc3ccccc3)C2)cc1 ZINC001459627487 1067367737 /nfs/dbraw/zinc/36/77/37/1067367737.db2.gz RTTHPQPVDZJJHA-RPWUZVMVSA-N 1 1 453.627 4.510 20 0 JJADMO COc1ccc([C@H](CNC(=O)OC(C)(C)C)C[N@H+]2CC[C@H](N(C)Cc3ccccc3)C2)cc1 ZINC001459627487 1067367746 /nfs/dbraw/zinc/36/77/46/1067367746.db2.gz RTTHPQPVDZJJHA-RPWUZVMVSA-N 1 1 453.627 4.510 20 0 JJADMO COc1ccc([C@H](CNC(=O)OC(C)(C)C)CN2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)cc1 ZINC001459627482 1067367850 /nfs/dbraw/zinc/36/78/50/1067367850.db2.gz RTTHPQPVDZJJHA-DNQXCXABSA-N 1 1 453.627 4.510 20 0 JJADMO COc1ccc([C@H](CNC(=O)OC(C)(C)C)C[N@@H+]2CC[C@@H](N(C)Cc3ccccc3)C2)cc1 ZINC001459627482 1067367860 /nfs/dbraw/zinc/36/78/60/1067367860.db2.gz RTTHPQPVDZJJHA-DNQXCXABSA-N 1 1 453.627 4.510 20 0 JJADMO COc1ccc([C@H](CNC(=O)OC(C)(C)C)C[N@H+]2CC[C@@H](N(C)Cc3ccccc3)C2)cc1 ZINC001459627482 1067367876 /nfs/dbraw/zinc/36/78/76/1067367876.db2.gz RTTHPQPVDZJJHA-DNQXCXABSA-N 1 1 453.627 4.510 20 0 JJADMO CCN(C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2nc(-c3ccc(C)cc3)cs2)C1)CC(F)(F)F ZINC001459631156 1067368837 /nfs/dbraw/zinc/36/88/37/1067368837.db2.gz KSFIVNGDKSIZQT-IAGOWNOFSA-N 1 1 454.562 4.652 20 0 JJADMO CCN(C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2nc(-c3ccc(C)cc3)cs2)C1)CC(F)(F)F ZINC001459631156 1067368847 /nfs/dbraw/zinc/36/88/47/1067368847.db2.gz KSFIVNGDKSIZQT-IAGOWNOFSA-N 1 1 454.562 4.652 20 0 JJADMO Cc1cc(NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)ccc1Br ZINC001459636819 1067369549 /nfs/dbraw/zinc/36/95/49/1067369549.db2.gz QDPMLWXWNPQGTI-OAHLLOKOSA-N 1 1 456.425 4.567 20 0 JJADMO COc1ccc(NC(=O)c2c(NC(=O)C[N@@H+]3CCC[C@@H](C)[C@H]3C)sc3c2CCCC3)cc1 ZINC001459643800 1067370525 /nfs/dbraw/zinc/37/05/25/1067370525.db2.gz UNNPWGOLZHSGHK-IAGOWNOFSA-N 1 1 455.624 4.947 20 0 JJADMO COc1ccc(NC(=O)c2c(NC(=O)C[N@H+]3CCC[C@@H](C)[C@H]3C)sc3c2CCCC3)cc1 ZINC001459643800 1067370535 /nfs/dbraw/zinc/37/05/35/1067370535.db2.gz UNNPWGOLZHSGHK-IAGOWNOFSA-N 1 1 455.624 4.947 20 0 JJADMO CCOc1ccc([C@H](C)NC(=O)C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)cc1OC ZINC001459664535 1067375935 /nfs/dbraw/zinc/37/59/35/1067375935.db2.gz AFQIBKRKXCLXPN-NKKJXINNSA-N 1 1 454.611 4.639 20 0 JJADMO CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)CN(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001459667362 1067376642 /nfs/dbraw/zinc/37/66/42/1067376642.db2.gz INDNSEZJWFFBSA-FXAWDEMLSA-N 1 1 457.640 4.501 20 0 JJADMO CSc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC001459666065 1067376745 /nfs/dbraw/zinc/37/67/45/1067376745.db2.gz YJMWYATULWASHF-HKUYNNGSSA-N 1 1 459.999 4.731 20 0 JJADMO CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)CN(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC001459667370 1067377215 /nfs/dbraw/zinc/37/72/15/1067377215.db2.gz INDNSEZJWFFBSA-XLIONFOSSA-N 1 1 457.640 4.501 20 0 JJADMO COc1cc(C)c([C@H](C)NC(=O)C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)cc1OC ZINC001459668487 1067377666 /nfs/dbraw/zinc/37/76/66/1067377666.db2.gz HIEAUNUXGBUZQT-FJIJXJHWSA-N 1 1 454.611 4.558 20 0 JJADMO CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2cc(-c3cc(C)cc(C)c3)nn2-c2ccccc2)[C@H](C)C1 ZINC001459671933 1067379379 /nfs/dbraw/zinc/37/93/79/1067379379.db2.gz WTZCSELQTGIOOS-ATIYNZHBSA-N 1 1 459.638 4.757 20 0 JJADMO COc1cc(N[C@H]2CCC[N@@H+](CC(=O)N(Cc3cccc(F)c3)C(C)(C)C)C2)cc(OC)c1 ZINC001459696238 1067386580 /nfs/dbraw/zinc/38/65/80/1067386580.db2.gz RNCIGGJEVWMEAT-NRFANRHFSA-N 1 1 457.590 4.547 20 0 JJADMO CC(C)(C)OC(=O)N1CC[N@@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C2(CCCCC2)C1 ZINC001459696988 1067386833 /nfs/dbraw/zinc/38/68/33/1067386833.db2.gz JRGIWSDPDVGUBG-LJQANCHMSA-N 1 1 456.549 4.864 20 0 JJADMO CC(C)c1ccc(C[NH+]2CCN(C(=O)CN3CCCC[C@H]3c3ccc(F)cc3F)CC2)cc1 ZINC001459696253 1067386990 /nfs/dbraw/zinc/38/69/90/1067386990.db2.gz RNLUIOGXCMINEM-SANMLTNESA-N 1 1 455.593 4.960 20 0 JJADMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(Br)c3OC(F)F)C2)nc1 ZINC001459701832 1067388503 /nfs/dbraw/zinc/38/85/03/1067388503.db2.gz RXPDHXFJXJAEJV-HNNXBMFYSA-N 1 1 454.315 4.605 20 0 JJADMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(Br)c3OC(F)F)C2)nc1 ZINC001459701832 1067388512 /nfs/dbraw/zinc/38/85/12/1067388512.db2.gz RXPDHXFJXJAEJV-HNNXBMFYSA-N 1 1 454.315 4.605 20 0 JJADMO Cc1ccc(C[NH+]2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)cc1Br ZINC001459702945 1067388639 /nfs/dbraw/zinc/38/86/39/1067388639.db2.gz YCLBBTBUUURFEU-OAHLLOKOSA-N 1 1 457.368 4.572 20 0 JJADMO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+](C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)C1=O ZINC001459706983 1067389766 /nfs/dbraw/zinc/38/97/66/1067389766.db2.gz HHLXEWQSFHTJOW-HOYKHHGWSA-N 1 1 452.549 4.592 20 0 JJADMO CCCCn1c(C[N@H+]2CCC[C@@H](C)[C@H]2CCC)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC001459706943 1067389992 /nfs/dbraw/zinc/38/99/92/1067389992.db2.gz BZFYRUVJKFATEI-TZIWHRDSSA-N 1 1 451.615 4.548 20 0 JJADMO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)cs2)cc1 ZINC001459716597 1067394123 /nfs/dbraw/zinc/39/41/23/1067394123.db2.gz CSUXSIVFPWTHLU-VQIMIIECSA-N 1 1 459.612 4.722 20 0 JJADMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)cs2)cc1 ZINC001459716597 1067394135 /nfs/dbraw/zinc/39/41/35/1067394135.db2.gz CSUXSIVFPWTHLU-VQIMIIECSA-N 1 1 459.612 4.722 20 0 JJADMO Cc1cc(C)cc(OCc2noc(C[NH2+][C@@]3(CNC(=O)OC(C)(C)C)CCCC[C@@H]3C)n2)c1 ZINC001459716758 1067394401 /nfs/dbraw/zinc/39/44/01/1067394401.db2.gz GWWYKVJKYGJXFD-UQBPGWFLSA-N 1 1 458.603 4.829 20 0 JJADMO CCOC(=O)C[C@H](c1ccccc1)C1CC[NH+]([C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)CC1 ZINC001459716504 1067394445 /nfs/dbraw/zinc/39/44/45/1067394445.db2.gz LUSUSCVJXQXCMQ-KBMIEXCESA-N 1 1 450.579 4.665 20 0 JJADMO O=C(Nc1ccc(Br)cn1)C1CC[NH+](Cc2cc(Br)cs2)CC1 ZINC001459739708 1067400982 /nfs/dbraw/zinc/40/09/82/1067400982.db2.gz BMLWIITUSQAXBE-UHFFFAOYSA-N 1 1 459.207 4.519 20 0 JJADMO CC(C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(Cl)cc1-n1cncn1 ZINC001459756016 1067408507 /nfs/dbraw/zinc/40/85/07/1067408507.db2.gz ZGWHSDKJFDEKLV-UHFFFAOYSA-N 1 1 451.880 4.789 20 0 JJADMO C[N@H+](CC(=O)NCc1ccccc1COc1ccccc1)Cc1cccc(OC(F)(F)F)c1 ZINC001459755325 1067408545 /nfs/dbraw/zinc/40/85/45/1067408545.db2.gz KPDXKAWZZOSKKM-UHFFFAOYSA-N 1 1 458.480 4.912 20 0 JJADMO C[N@@H+](CC(=O)NCc1ccccc1COc1ccccc1)Cc1cccc(OC(F)(F)F)c1 ZINC001459755325 1067408546 /nfs/dbraw/zinc/40/85/46/1067408546.db2.gz KPDXKAWZZOSKKM-UHFFFAOYSA-N 1 1 458.480 4.912 20 0 JJADMO CC[N@@H+](CC(=O)NC1CCC2(CC1)OCCO2)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC001459771839 1067415557 /nfs/dbraw/zinc/41/55/57/1067415557.db2.gz MGDJCKZFEDQQEP-FQEVSTJZSA-N 1 1 452.595 4.547 20 0 JJADMO COc1ccc(OC)c(-c2csc(NC(=O)C[NH+]3CCC(C)(c4ccccc4)CC3)n2)c1 ZINC001459772747 1067416088 /nfs/dbraw/zinc/41/60/88/1067416088.db2.gz FNDXWTCYWOEVKI-UHFFFAOYSA-N 1 1 451.592 4.820 20 0 JJADMO CCC[C@@H]1CN(CC(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)CC[N@H+]1CCOC ZINC001459783561 1067420561 /nfs/dbraw/zinc/42/05/61/1067420561.db2.gz CMSIJBIOOJPNDP-HSZRJFAPSA-N 1 1 455.668 4.826 20 0 JJADMO CCOC(=O)c1ccc(NC(=O)C[N@@H+](Cc2ccc(OC)c(OC)c2)C2CCCCC2)cc1 ZINC001459786947 1067422208 /nfs/dbraw/zinc/42/22/08/1067422208.db2.gz RXRCFMUYPXFQRE-UHFFFAOYSA-N 1 1 454.567 4.654 20 0 JJADMO O[C@H](COc1ccccc1C(F)(F)F)C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001459790042 1067423351 /nfs/dbraw/zinc/42/33/51/1067423351.db2.gz ZKKJHUSHDZXZJE-OLZOCXBDSA-N 1 1 454.436 4.800 20 0 JJADMO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001459807326 1067432257 /nfs/dbraw/zinc/43/22/57/1067432257.db2.gz ZNDZSJBLNJDISZ-DLTWYDFYSA-N 1 1 456.414 4.946 20 0 JJADMO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001459807326 1067432262 /nfs/dbraw/zinc/43/22/62/1067432262.db2.gz ZNDZSJBLNJDISZ-DLTWYDFYSA-N 1 1 456.414 4.946 20 0 JJADMO Cc1ccc(NC(=O)N2CC[NH+](CCC(=O)Nc3ccccc3Oc3ccccc3)CC2)cc1 ZINC001459821748 1067438866 /nfs/dbraw/zinc/43/88/66/1067438866.db2.gz ROMPISSZSLUTNX-UHFFFAOYSA-N 1 1 458.562 4.966 20 0 JJADMO COc1ccc(C[N@@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)[C@@H]2CCCC[C@H]2C)cc1OC ZINC001459832130 1067444355 /nfs/dbraw/zinc/44/43/55/1067444355.db2.gz FAAFBHWHRUAIPZ-DYESRHJHSA-N 1 1 455.986 4.946 20 0 JJADMO COC[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1cccc(C(F)(F)F)c1 ZINC001459833699 1067445342 /nfs/dbraw/zinc/44/53/42/1067445342.db2.gz CULTXEGDWVTDIA-QGZVFWFLSA-N 1 1 453.461 4.884 20 0 JJADMO C[N@@H+](C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[C@H]1CCCC[C@@H]1O ZINC001459840134 1067448078 /nfs/dbraw/zinc/44/80/78/1067448078.db2.gz LMSNEAJCVUYVHR-OIBXWCBGSA-N 1 1 452.422 4.943 20 0 JJADMO C[N@@H+](C[C@H](O)CN[C@H](Cc1c(F)cccc1Cl)c1ccccc1Br)C1CC1 ZINC001459842184 1067449098 /nfs/dbraw/zinc/44/90/98/1067449098.db2.gz FUBANWLUGOTIPN-QVKFZJNVSA-N 1 1 455.799 4.570 20 0 JJADMO CCOC(=O)C1C(C[NH2+][C@@H](c2ccccc2C)C(C)C)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001459850087 1067455082 /nfs/dbraw/zinc/45/50/82/1067455082.db2.gz NASRGFJXJXYMMQ-PKTZIBPZSA-N 1 1 455.986 4.806 20 0 JJADMO C[C@H]([NH2+]Cc1cc2c(cc1Br)OCO2)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001459857573 1067459986 /nfs/dbraw/zinc/45/99/86/1067459986.db2.gz JSABGZIBBOBYFE-AWEZNQCLSA-N 1 1 454.324 4.676 20 0 JJADMO Cc1ccc(-c2csc(NC(=O)[C@H](C)[N@@H+]3CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2)cc1 ZINC001459863119 1067462560 /nfs/dbraw/zinc/46/25/60/1067462560.db2.gz PACDZLHSASNJGW-LNLFQRSKSA-N 1 1 458.628 4.681 20 0 JJADMO Cc1ccc(-c2csc(NC(=O)[C@H](C)[N@H+]3CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2)cc1 ZINC001459863119 1067462562 /nfs/dbraw/zinc/46/25/62/1067462562.db2.gz PACDZLHSASNJGW-LNLFQRSKSA-N 1 1 458.628 4.681 20 0 JJADMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC001459865753 1067463690 /nfs/dbraw/zinc/46/36/90/1067463690.db2.gz YROVUKJTIHHNLX-GJZGRUSLSA-N 1 1 450.377 4.839 20 0 JJADMO C[C@@H]([NH2+]Cc1cc(Cl)ccc1I)c1cccc(N2CCCC2=O)c1 ZINC001459870290 1067466850 /nfs/dbraw/zinc/46/68/50/1067466850.db2.gz ZPZVVALDRNSIFI-CYBMUJFWSA-N 1 1 454.739 4.922 20 0 JJADMO Cc1ccc(-c2noc([C@H](C)[NH+]3CCC(C(=O)Nc4cc(Cl)ccc4O)CC3)n2)cc1F ZINC001459885836 1067473161 /nfs/dbraw/zinc/47/31/61/1067473161.db2.gz ZUOQOSXVEYASAC-AWEZNQCLSA-N 1 1 458.921 4.955 20 0 JJADMO CC[C@H]1C[N@@H+](CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001459893111 1067476363 /nfs/dbraw/zinc/47/63/63/1067476363.db2.gz UAHNTHFMQKRCQN-URXFXBBRSA-N 1 1 457.659 4.926 20 0 JJADMO CCOC(=O)c1cc(C[NH2+][C@H](C)c2sc(-c3ccc(Br)cc3)nc2C)on1 ZINC001459896028 1067477695 /nfs/dbraw/zinc/47/76/95/1067477695.db2.gz BKALWILKMQFGEU-LLVKDONJSA-N 1 1 450.358 4.897 20 0 JJADMO COc1ccc(C[NH+]2CCC(c3noc(-c4ccccc4OC)n3)CC2)c(Br)c1 ZINC001459929463 1067496087 /nfs/dbraw/zinc/49/60/87/1067496087.db2.gz HTDHJGBYLWKBFJ-UHFFFAOYSA-N 1 1 458.356 4.896 20 0 JJADMO COc1ccc(-n2c(C[NH2+][C@@H](CO)c3cccc(Br)c3)nc3ccccc32)cc1 ZINC001459932842 1067496985 /nfs/dbraw/zinc/49/69/85/1067496985.db2.gz MXPOOQWLOPQLQP-NRFANRHFSA-N 1 1 452.352 4.620 20 0 JJADMO Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCC[N@@H+]1C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001459937005 1067499171 /nfs/dbraw/zinc/49/91/71/1067499171.db2.gz ZVICPGNEEXHAIC-RBZQAINGSA-N 1 1 468.642 4.615 20 0 JJADMO Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCC[N@H+]1C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001459937005 1067499173 /nfs/dbraw/zinc/49/91/73/1067499173.db2.gz ZVICPGNEEXHAIC-RBZQAINGSA-N 1 1 468.642 4.615 20 0 JJADMO Cc1cc(Br)c(C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)cc1Br ZINC001459939061 1067499618 /nfs/dbraw/zinc/49/96/18/1067499618.db2.gz HIZVEJBDTYSNIX-UHFFFAOYSA-N 1 1 458.194 4.707 20 0 JJADMO CCC[N@@H+](C)[C@@H](CNC(=O)c1cnn(-c2ccccc2OC)c1CC)c1ccc(Cl)cc1 ZINC001459944988 1067501847 /nfs/dbraw/zinc/50/18/47/1067501847.db2.gz IWRXDLHNTUDAHN-QHCPKHFHSA-N 1 1 455.002 4.910 20 0 JJADMO CC[C@H](Cc1ccccc1Br)[N@@H+](C)CC(=O)N[C@H](c1ccc(OC)cc1)C1CC1 ZINC001459978264 1067513640 /nfs/dbraw/zinc/51/36/40/1067513640.db2.gz CVTZFERDLZWLPB-YKSBVNFPSA-N 1 1 459.428 4.978 20 0 JJADMO COc1ccc2c(c1)C[C@@H](C[N@H+](Cc1ccccc1)C[C@@H](O)c1cccc(OC(F)F)c1)O2 ZINC001459978965 1067513863 /nfs/dbraw/zinc/51/38/63/1067513863.db2.gz CPSYWIXCDOHHTO-BJKOFHAPSA-N 1 1 455.501 4.836 20 0 JJADMO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC001460020303 1067531004 /nfs/dbraw/zinc/53/10/04/1067531004.db2.gz VSKMVHJAGWWGKS-NRFANRHFSA-N 1 1 459.631 4.662 20 0 JJADMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1 ZINC001460041501 1067536483 /nfs/dbraw/zinc/53/64/83/1067536483.db2.gz SGJBPPAAFRUFBA-FQEVSTJZSA-N 1 1 458.400 4.566 20 0 JJADMO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[N@H+]1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC001460046893 1067538863 /nfs/dbraw/zinc/53/88/63/1067538863.db2.gz ACLYBQKVUZCHSD-CUVVAGTFSA-N 1 1 472.651 4.873 20 0 JJADMO CC[C@@H](NC(=O)C[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC001460059846 1067541942 /nfs/dbraw/zinc/54/19/42/1067541942.db2.gz NOEIEEZETXVQMB-HXUWFJFHSA-N 1 1 454.920 4.910 20 0 JJADMO C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@H+]2CCOc2cc(F)cc(Br)c2)C1 ZINC001460068133 1067545226 /nfs/dbraw/zinc/54/52/26/1067545226.db2.gz DIPZLIZLNYYEBS-APWZRJJASA-N 1 1 457.384 4.690 20 0 JJADMO CCOC(=O)c1ccc2c(c1)nc(C[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1)n2CC ZINC001460079620 1067548425 /nfs/dbraw/zinc/54/84/25/1067548425.db2.gz BYTPGPTZIDTWOX-SFHVURJKSA-N 1 1 450.366 4.753 20 0 JJADMO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC001460081661 1067548919 /nfs/dbraw/zinc/54/89/19/1067548919.db2.gz PUTLVFPZONEHSD-LJQANCHMSA-N 1 1 458.427 4.857 20 0 JJADMO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC001460083685 1067549395 /nfs/dbraw/zinc/54/93/95/1067549395.db2.gz ZOJLJJHPZUGJAS-GOSISDBHSA-N 1 1 457.290 4.776 20 0 JJADMO CN(C)S(=O)(=O)c1cccc(C[N@H+](C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC001460088606 1067551253 /nfs/dbraw/zinc/55/12/53/1067551253.db2.gz GVOMTXNCHSKKJM-UHFFFAOYSA-N 1 1 454.436 4.607 20 0 JJADMO CN(C)S(=O)(=O)c1cccc(C[N@@H+](C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC001460088606 1067551261 /nfs/dbraw/zinc/55/12/61/1067551261.db2.gz GVOMTXNCHSKKJM-UHFFFAOYSA-N 1 1 454.436 4.607 20 0 JJADMO CCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)cc1 ZINC001460104970 1067556251 /nfs/dbraw/zinc/55/62/51/1067556251.db2.gz JPKZWAJZGFERIM-GCJKJVERSA-N 1 1 459.631 4.770 20 0 JJADMO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2cc3c(cc2Cl)OCCO3)CC1 ZINC001460106770 1067556649 /nfs/dbraw/zinc/55/66/49/1067556649.db2.gz RWZAYUJWZMNFSU-NRFANRHFSA-N 1 1 451.007 4.969 20 0 JJADMO COC(=O)c1ccc(-c2nc(C[NH2+][C@@H](CCO)c3cccc(C(F)(F)F)c3)cs2)cc1 ZINC001460137812 1067562729 /nfs/dbraw/zinc/56/27/29/1067562729.db2.gz AFUOIFPPOYBNTK-IBGZPJMESA-N 1 1 450.482 4.829 20 0 JJADMO CCC1(CC)CN(c2nnc(C(C)(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCS1 ZINC001546114185 1067564270 /nfs/dbraw/zinc/56/42/70/1067564270.db2.gz YFHKVIRAVBDGGL-HSZRJFAPSA-N 1 1 485.742 4.979 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@@H](C[N@H+]3CC[C@H](Sc4cccc(Cl)c4)C3)C2)C1 ZINC001460146578 1067564545 /nfs/dbraw/zinc/56/45/45/1067564545.db2.gz YTPGHDVXYJDYKO-QMHWCDLVSA-N 1 1 453.048 4.923 20 0 JJADMO COc1ccc([C@@H](O)C2CC[NH+](CC(=O)N[C@@H](c3ccccc3)C3CCCCC3)CC2)cc1 ZINC001460152052 1067566144 /nfs/dbraw/zinc/56/61/44/1067566144.db2.gz STWLZRQUVMWLMA-WUFINQPMSA-N 1 1 450.623 4.878 20 0 JJADMO CCOc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001460155828 1067566564 /nfs/dbraw/zinc/56/65/64/1067566564.db2.gz BRMILBCSABPLIP-PCCBWWKXSA-N 1 1 459.631 4.771 20 0 JJADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@@H+](C)CCc1cccc(Br)c1 ZINC001460169163 1067569057 /nfs/dbraw/zinc/56/90/57/1067569057.db2.gz GZMFRJHDZWUGBR-SFHVURJKSA-N 1 1 455.400 4.753 20 0 JJADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@@H+](C)CCc1cccc(Br)c1 ZINC001460169159 1067569241 /nfs/dbraw/zinc/56/92/41/1067569241.db2.gz GZMFRJHDZWUGBR-GOSISDBHSA-N 1 1 455.400 4.753 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@H+]2CCCC[C@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460173330 1067570079 /nfs/dbraw/zinc/57/00/79/1067570079.db2.gz HUQRGPABYKADLS-BQJUDKOJSA-N 1 1 451.652 4.791 20 0 JJADMO C[C@H]([NH2+][C@H](CO)c1ccc(Br)c(F)c1)C(=O)Nc1cc(Cl)ccc1Cl ZINC001460175599 1067571189 /nfs/dbraw/zinc/57/11/89/1067571189.db2.gz VLMWJKJOAMYOOG-XXFAHNHDSA-N 1 1 450.135 4.545 20 0 JJADMO O[C@@H](C[N@H+](CCc1ccc(Cl)cc1)Cc1cc2c(cc1Cl)OCCO2)C(F)(F)F ZINC001460176722 1067571623 /nfs/dbraw/zinc/57/16/23/1067571623.db2.gz RQNVYCJSTARTQG-IBGZPJMESA-N 1 1 450.284 4.733 20 0 JJADMO O[C@@H](C[N@@H+](CCc1ccc(Cl)cc1)Cc1cc2c(cc1Cl)OCCO2)C(F)(F)F ZINC001460176722 1067571627 /nfs/dbraw/zinc/57/16/27/1067571627.db2.gz RQNVYCJSTARTQG-IBGZPJMESA-N 1 1 450.284 4.733 20 0 JJADMO O=C(C[N@H+]1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1)Nc1ccc2ccccc2c1 ZINC001460179398 1067572298 /nfs/dbraw/zinc/57/22/98/1067572298.db2.gz NENGCMQIWWSWJR-RDPSFJRHSA-N 1 1 453.380 4.986 20 0 JJADMO O=C(C[N@@H+]1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1)Nc1ccc2ccccc2c1 ZINC001460179398 1067572304 /nfs/dbraw/zinc/57/23/04/1067572304.db2.gz NENGCMQIWWSWJR-RDPSFJRHSA-N 1 1 453.380 4.986 20 0 JJADMO O[C@H](C[N@H+]1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1)c1ccc(C(F)(F)F)cc1 ZINC001460182538 1067573344 /nfs/dbraw/zinc/57/33/44/1067573344.db2.gz AKEUWEQQYOEQLJ-PWIZWCRZSA-N 1 1 458.318 4.947 20 0 JJADMO C[N@H+](Cc1ccccc1)C[C@@H](CN[C@@H](CO)c1ccc(Br)cc1)c1ccccc1 ZINC001460184438 1067573868 /nfs/dbraw/zinc/57/38/68/1067573868.db2.gz XVJXWNVQCBCEPW-NOZRDPDXSA-N 1 1 453.424 4.988 20 0 JJADMO O=C(CC[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1)Nc1ccccc1C(=O)c1ccccc1 ZINC001460183716 1067573906 /nfs/dbraw/zinc/57/39/06/1067573906.db2.gz VDXYHTFTAIBHMR-LJAQVGFWSA-N 1 1 456.586 4.563 20 0 JJADMO C[N@@H+](C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001460192925 1067575689 /nfs/dbraw/zinc/57/56/89/1067575689.db2.gz AXKVHWRMFBXXDH-RJGXRXQPSA-N 1 1 458.643 4.971 20 0 JJADMO C[N@H+](CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001460196239 1067576468 /nfs/dbraw/zinc/57/64/68/1067576468.db2.gz KQETZDZLCHLYKV-FCHUYYIVSA-N 1 1 453.583 4.989 20 0 JJADMO C[N@@H+](CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001460196239 1067576478 /nfs/dbraw/zinc/57/64/78/1067576478.db2.gz KQETZDZLCHLYKV-FCHUYYIVSA-N 1 1 453.583 4.989 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCN(c3ccccc3)C2=O)CC[C@H]1c1ccc(F)cc1 ZINC001460207065 1067578984 /nfs/dbraw/zinc/57/89/84/1067578984.db2.gz IATFBQBDVREXMQ-RBZQAINGSA-N 1 1 467.585 4.704 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCN(c3ccccc3)C2=O)CC[C@H]1c1ccc(F)cc1 ZINC001460207065 1067578989 /nfs/dbraw/zinc/57/89/89/1067578989.db2.gz IATFBQBDVREXMQ-RBZQAINGSA-N 1 1 467.585 4.704 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)C1 ZINC001460207312 1067579400 /nfs/dbraw/zinc/57/94/00/1067579400.db2.gz DRTXLNFPAFVLNI-UNMCSNQZSA-N 1 1 459.631 4.928 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H](C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)C1 ZINC001460207312 1067579403 /nfs/dbraw/zinc/57/94/03/1067579403.db2.gz DRTXLNFPAFVLNI-UNMCSNQZSA-N 1 1 459.631 4.928 20 0 JJADMO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](CCC(=O)Nc3ccc(Oc4ccccc4)cc3)[C@@H]2C1 ZINC001460233709 1067586311 /nfs/dbraw/zinc/58/63/11/1067586311.db2.gz MNPADANQGNTOJX-WMZHIEFXSA-N 1 1 451.567 4.749 20 0 JJADMO CCCCCCc1ccc(-c2csc(NC(=O)[C@@H](C)[N@@H+]3CC[C@H](C(=O)N(C)C)C3)n2)cc1 ZINC001460237350 1067587452 /nfs/dbraw/zinc/58/74/52/1067587452.db2.gz LPGKDERWDZGESI-NQIIRXRSSA-N 1 1 456.656 4.670 20 0 JJADMO CCCCCCc1ccc(-c2csc(NC(=O)[C@@H](C)[N@H+]3CC[C@H](C(=O)N(C)C)C3)n2)cc1 ZINC001460237350 1067587453 /nfs/dbraw/zinc/58/74/53/1067587453.db2.gz LPGKDERWDZGESI-NQIIRXRSSA-N 1 1 456.656 4.670 20 0 JJADMO COc1cc(Br)ccc1CCC[N@@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC001460240126 1067588684 /nfs/dbraw/zinc/58/86/84/1067588684.db2.gz WXDUZUQGCDQYPA-GOSISDBHSA-N 1 1 457.206 4.818 20 0 JJADMO Cc1sc(NC(=O)CN2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc1-c1ccc(Cl)cc1 ZINC001460240646 1067589234 /nfs/dbraw/zinc/58/92/34/1067589234.db2.gz MPBFMVJQZRGQOI-KRWDZBQOSA-N 1 1 455.027 4.917 20 0 JJADMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(Br)cc3cccnc32)C[C@H]1c1ccc(F)cc1F ZINC001460277606 1067596076 /nfs/dbraw/zinc/59/60/76/1067596076.db2.gz NBSDYGXQAPEGQM-RBUKOAKNSA-N 1 1 461.306 4.664 20 0 JJADMO C[C@H]1CC2(C[N@H+]1C[C@H](O)c1ccccc1Br)CCN(C(=O)OC(C)(C)C)CC2 ZINC001460279164 1067596690 /nfs/dbraw/zinc/59/66/90/1067596690.db2.gz YCQSPBDXJZFBDT-LPHOPBHVSA-N 1 1 453.421 4.594 20 0 JJADMO C[C@H]1CC2(C[N@H+]1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001460279595 1067597145 /nfs/dbraw/zinc/59/71/45/1067597145.db2.gz ZUCBDFQYRLMBMU-PMACEKPBSA-N 1 1 451.652 4.745 20 0 JJADMO CCC1(CC)CN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCC[N@H+]2CCCO)CCS1 ZINC001546115265 1067598818 /nfs/dbraw/zinc/59/88/18/1067598818.db2.gz YGWVDOGZDFSXJG-OAQYLSRUSA-N 1 1 478.106 4.557 20 0 JJADMO COC1([C@H](C)[NH2+]Cc2csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n2)CCOCC1 ZINC001460293152 1067599975 /nfs/dbraw/zinc/59/99/75/1067599975.db2.gz CLVMWXTVNLICHY-AWEZNQCLSA-N 1 1 457.518 4.520 20 0 JJADMO O=C(C[C@H]1CCC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1)NCc1ccc(F)cc1 ZINC001460302266 1067602306 /nfs/dbraw/zinc/60/23/06/1067602306.db2.gz PIRVXPIQWOHYLL-HSZRJFAPSA-N 1 1 459.565 4.997 20 0 JJADMO CC(C)c1ncc(Br)c(C(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)n1 ZINC001460307136 1067604283 /nfs/dbraw/zinc/60/42/83/1067604283.db2.gz HPZBSSKSJPKMAU-UHFFFAOYSA-N 1 1 452.356 4.573 20 0 JJADMO COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[NH+]1CCC(CCc2ccc(F)cc2F)CC1 ZINC001460315310 1067605851 /nfs/dbraw/zinc/60/58/51/1067605851.db2.gz ZHIPUCGJGIPVMY-MRXNPFEDSA-N 1 1 459.537 4.604 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC001460318554 1067606704 /nfs/dbraw/zinc/60/67/04/1067606704.db2.gz RMYAQTVBQAPBBI-HOJAQTOUSA-N 1 1 458.521 4.838 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC001460318554 1067606707 /nfs/dbraw/zinc/60/67/07/1067606707.db2.gz RMYAQTVBQAPBBI-HOJAQTOUSA-N 1 1 458.521 4.838 20 0 JJADMO CO[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1)c1ccc(Cl)cc1 ZINC001460319877 1067607225 /nfs/dbraw/zinc/60/72/25/1067607225.db2.gz ZCKIHPIXFVLNNW-DXBBTUNJSA-N 1 1 453.023 4.954 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCCN([C@H](C)c2ccccc2F)C1=O ZINC001460327156 1067609512 /nfs/dbraw/zinc/60/95/12/1067609512.db2.gz UKXXGIUDXWICOS-UFUIAINPSA-N 1 1 479.640 4.788 20 0 JJADMO COCC[N@H+](Cc1ncc(-c2cccs2)o1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001460333638 1067610365 /nfs/dbraw/zinc/61/03/65/1067610365.db2.gz VFNRGNHRVCJEGI-UHFFFAOYSA-N 1 1 455.580 4.653 20 0 JJADMO COCC[N@@H+](Cc1ncc(-c2cccs2)o1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001460333638 1067610371 /nfs/dbraw/zinc/61/03/71/1067610371.db2.gz VFNRGNHRVCJEGI-UHFFFAOYSA-N 1 1 455.580 4.653 20 0 JJADMO C[C@H]1CCC[N@@H+](Cc2cccc(C(=O)NCc3ccco3)c2)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001460340483 1067611952 /nfs/dbraw/zinc/61/19/52/1067611952.db2.gz TWHVFCUCLUAEJP-WMZHIEFXSA-N 1 1 455.599 4.725 20 0 JJADMO CC(C)COc1ncccc1C(=O)N(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001460350578 1067614445 /nfs/dbraw/zinc/61/44/45/1067614445.db2.gz RNTXXIXYNVZKAS-VWLOTQADSA-N 1 1 458.606 4.818 20 0 JJADMO CCOc1ccccc1OCC(=O)N(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001460350477 1067614483 /nfs/dbraw/zinc/61/44/83/1067614483.db2.gz QWXKTGCHGRAJQU-RUZDIDTESA-N 1 1 459.590 4.553 20 0 JJADMO O=C(c1ccc(Br)o1)N(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001460353462 1067615405 /nfs/dbraw/zinc/61/54/05/1067615405.db2.gz ZITJZTQWJYOHBR-HXUWFJFHSA-N 1 1 454.368 4.744 20 0 JJADMO O=C(C[N@H+]1CCCC[C@@H]1Cc1ccccc1F)Nc1ccccc1C(=O)NCc1ccccc1 ZINC001460358175 1067617253 /nfs/dbraw/zinc/61/72/53/1067617253.db2.gz VJUKYJZKNAQORS-HSZRJFAPSA-N 1 1 459.565 4.791 20 0 JJADMO O=C(C[N@@H+]1CCCC[C@@H]1Cc1ccccc1F)Nc1ccccc1C(=O)NCc1ccccc1 ZINC001460358175 1067617256 /nfs/dbraw/zinc/61/72/56/1067617256.db2.gz VJUKYJZKNAQORS-HSZRJFAPSA-N 1 1 459.565 4.791 20 0 JJADMO O=C(C[N@H+]1CCCC[C@H]1Cc1ccccc1F)Nc1ccccc1C(=O)NCc1ccccc1 ZINC001460358176 1067617291 /nfs/dbraw/zinc/61/72/91/1067617291.db2.gz VJUKYJZKNAQORS-QHCPKHFHSA-N 1 1 459.565 4.791 20 0 JJADMO O=C(C[N@@H+]1CCCC[C@H]1Cc1ccccc1F)Nc1ccccc1C(=O)NCc1ccccc1 ZINC001460358176 1067617299 /nfs/dbraw/zinc/61/72/99/1067617299.db2.gz VJUKYJZKNAQORS-QHCPKHFHSA-N 1 1 459.565 4.791 20 0 JJADMO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C2 ZINC001460357925 1067617452 /nfs/dbraw/zinc/61/74/52/1067617452.db2.gz DYIYOCHSQGPEPC-QKKBWIMNSA-N 1 1 475.939 4.924 20 0 JJADMO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C2 ZINC001460357925 1067617456 /nfs/dbraw/zinc/61/74/56/1067617456.db2.gz DYIYOCHSQGPEPC-QKKBWIMNSA-N 1 1 475.939 4.924 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ncc(-c4ccccc4F)o3)C2)C1 ZINC001460360595 1067617933 /nfs/dbraw/zinc/61/79/33/1067617933.db2.gz CWMKWJSCJYESRH-DBXWQHBBSA-N 1 1 459.562 4.765 20 0 JJADMO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)[C@@H]2CCCC[C@H]12 ZINC001460360389 1067618340 /nfs/dbraw/zinc/61/83/40/1067618340.db2.gz ICRKKNLRRPEQHQ-SFHLNBCPSA-N 1 1 455.624 4.728 20 0 JJADMO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)[C@@H]2CCCC[C@H]12 ZINC001460360389 1067618341 /nfs/dbraw/zinc/61/83/41/1067618341.db2.gz ICRKKNLRRPEQHQ-SFHLNBCPSA-N 1 1 455.624 4.728 20 0 JJADMO Cc1ccc(S(=O)(=O)N[C@H](C[N@H+]2CCS[C@@H](c3ccccc3)C2)c2ccccc2)cc1 ZINC001460362390 1067618428 /nfs/dbraw/zinc/61/84/28/1067618428.db2.gz OWSONFACWFNPFA-JWQCQUIFSA-N 1 1 452.645 4.805 20 0 JJADMO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@@H+](CCc1cc(Cl)c3c(c1)OCCCO3)C2 ZINC001460364049 1067619140 /nfs/dbraw/zinc/61/91/40/1067619140.db2.gz SVSXDUTVUGFJLF-UUOWRZLLSA-N 1 1 451.007 4.671 20 0 JJADMO CCOC(=O)C1=C(C[NH2+][C@@H](c2ccccc2F)C(C)C)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001460366387 1067619438 /nfs/dbraw/zinc/61/94/38/1067619438.db2.gz WFQFEMZPQNBQOU-FGZHOGPDSA-N 1 1 459.949 4.637 20 0 JJADMO Cc1nc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)nc2ccccc12 ZINC001460391088 1067624890 /nfs/dbraw/zinc/62/48/90/1067624890.db2.gz NXQPYEMNGSMCRJ-FYYLOGMGSA-N 1 1 450.558 4.960 20 0 JJADMO CC(C)(C)c1csc(CC2CC[NH+](CC(=O)NCCc3nc4ccccc4s3)CC2)n1 ZINC001460405104 1067628232 /nfs/dbraw/zinc/62/82/32/1067628232.db2.gz QNVMUHWBIFHXFU-UHFFFAOYSA-N 1 1 456.681 4.664 20 0 JJADMO Cc1ccccc1[C@H](C)[N@H+]1CCC[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 ZINC001460484541 1067643635 /nfs/dbraw/zinc/64/36/35/1067643635.db2.gz GCXLUSOZFJZLMB-SFTDATJTSA-N 1 1 453.631 4.716 20 0 JJADMO CCCCOc1ccc(-c2nnc(C[NH2+][C@@H]3CCN(C(=O)OC(C)(C)C)C34CCC4)o2)cc1 ZINC001460487459 1067644100 /nfs/dbraw/zinc/64/41/00/1067644100.db2.gz VGCOKIKNWCBCJO-HXUWFJFHSA-N 1 1 456.587 4.937 20 0 JJADMO COc1ccc(N=c2scc(C[N@H+]3CC[C@H](C)[C@H](CO)C3)n2[C@H](C)c2ccccc2)cc1 ZINC001460501941 1067645646 /nfs/dbraw/zinc/64/56/46/1067645646.db2.gz FCOXTJAQTFUPRP-VWPQPMDRSA-N 1 1 451.636 4.850 20 0 JJADMO Fc1ccc(COC2CC[NH+](Cc3cc4c(cc3Br)OCCCO4)CC2)cc1 ZINC001460514659 1067647096 /nfs/dbraw/zinc/64/70/96/1067647096.db2.gz OAWNOTKIKSNJAH-UHFFFAOYSA-N 1 1 450.348 4.931 20 0 JJADMO CC(C)(C)OC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)Nc1cccc(Oc3ccccc3)c1)C2 ZINC001460516744 1067647539 /nfs/dbraw/zinc/64/75/39/1067647539.db2.gz LHRRDMZSPDAZHC-SIBVEZHUSA-N 1 1 451.567 4.797 20 0 JJADMO CC(C)(C)OC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)Nc1cccc(Oc3ccccc3)c1)C2 ZINC001460516744 1067647544 /nfs/dbraw/zinc/64/75/44/1067647544.db2.gz LHRRDMZSPDAZHC-SIBVEZHUSA-N 1 1 451.567 4.797 20 0 JJADMO COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3OCc3cccnc3)C2)s1 ZINC001460525495 1067650197 /nfs/dbraw/zinc/65/01/97/1067650197.db2.gz JOZMHSRVXVSNFT-QGZVFWFLSA-N 1 1 457.983 4.937 20 0 JJADMO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3OCc3cccnc3)C2)s1 ZINC001460525495 1067650199 /nfs/dbraw/zinc/65/01/99/1067650199.db2.gz JOZMHSRVXVSNFT-QGZVFWFLSA-N 1 1 457.983 4.937 20 0 JJADMO COc1ccccc1-c1ccnc(C2CC[NH+](CC(=O)NCCCC3CCCCC3)CC2)n1 ZINC001460541171 1067653788 /nfs/dbraw/zinc/65/37/88/1067653788.db2.gz IWPSIKCCPLYSDX-UHFFFAOYSA-N 1 1 450.627 4.808 20 0 JJADMO C[C@@H]1CCC[N@H+](CC(=O)Nc2cc(-c3ccc(C(C)(C)C)cc3)nn2-c2ccccc2)[C@@H]1CO ZINC001460557163 1067655972 /nfs/dbraw/zinc/65/59/72/1067655972.db2.gz DYOANUYLIJJEKZ-CJFMBICVSA-N 1 1 460.622 4.868 20 0 JJADMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(-c3ccc(C(C)(C)C)cc3)nn2-c2ccccc2)[C@@H]1CO ZINC001460557163 1067655980 /nfs/dbraw/zinc/65/59/80/1067655980.db2.gz DYOANUYLIJJEKZ-CJFMBICVSA-N 1 1 460.622 4.868 20 0 JJADMO COc1ccc(C([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)c2ccc(OC)cc2)cc1 ZINC001460605756 1067669129 /nfs/dbraw/zinc/66/91/29/1067669129.db2.gz JJAJNZQOXLYTFL-QHCPKHFHSA-N 1 1 454.929 4.981 20 0 JJADMO CCOCC[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)[C@@H]1CCc2ccccc21 ZINC001460618893 1067674635 /nfs/dbraw/zinc/67/46/35/1067674635.db2.gz QGUJFZHKEMZFOG-LJQANCHMSA-N 1 1 453.327 4.692 20 0 JJADMO CCOCC[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)[C@@H]1CCc2ccccc21 ZINC001460618893 1067674639 /nfs/dbraw/zinc/67/46/39/1067674639.db2.gz QGUJFZHKEMZFOG-LJQANCHMSA-N 1 1 453.327 4.692 20 0 JJADMO CC1(C)[C@H]2[C@H](CCC[N@H+]2C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)[C@@H]1O ZINC001460620909 1067675316 /nfs/dbraw/zinc/67/53/16/1067675316.db2.gz WBCUOVJJUIWWJW-ZQRMPTRQSA-N 1 1 464.433 4.942 20 0 JJADMO COc1cccc(CC2CC[NH+](CC(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)CC2)c1 ZINC001460626037 1067676822 /nfs/dbraw/zinc/67/68/22/1067676822.db2.gz JRPIGULPTQPUQE-UHFFFAOYSA-N 1 1 457.546 4.990 20 0 JJADMO COc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@]2(C)Cc2ccc(F)c(F)c2)c(OC)c1 ZINC001460647539 1067685357 /nfs/dbraw/zinc/68/53/57/1067685357.db2.gz ACEYUVUWDQNDRO-ZEQKJWHPSA-N 1 1 458.549 4.743 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3cc(=O)oc4cc(C)ccc34)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001460651513 1067687189 /nfs/dbraw/zinc/68/71/89/1067687189.db2.gz NDHHPSMOKVPHTH-XZOQPEGZSA-N 1 1 464.562 4.603 20 0 JJADMO CS(=O)(=O)c1ccc([C@H](O)C[N@H+]2CCC[C@@H]2Cc2cccc(Oc3ccccc3)c2)cc1 ZINC001460659420 1067691393 /nfs/dbraw/zinc/69/13/93/1067691393.db2.gz HQPXIRFDOREJIS-ATIYNZHBSA-N 1 1 451.588 4.623 20 0 JJADMO CS(=O)(=O)c1ccc([C@@H](O)C[N@H+]2CCC[C@H]2Cc2cccc(Oc3ccccc3)c2)cc1 ZINC001460659426 1067691508 /nfs/dbraw/zinc/69/15/08/1067691508.db2.gz HQPXIRFDOREJIS-NVQXNPDNSA-N 1 1 451.588 4.623 20 0 JJADMO C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001460670262 1067694590 /nfs/dbraw/zinc/69/45/90/1067694590.db2.gz LSNZAUSTCJDOSZ-ICSRJNTNSA-N 1 1 455.624 4.755 20 0 JJADMO C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001460670262 1067694593 /nfs/dbraw/zinc/69/45/93/1067694593.db2.gz LSNZAUSTCJDOSZ-ICSRJNTNSA-N 1 1 455.624 4.755 20 0 JJADMO CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CCc2cc(Br)ccc2NC1=O ZINC001460671831 1067695009 /nfs/dbraw/zinc/69/50/09/1067695009.db2.gz SOJKHUPJXPAZQJ-GGAORHGYSA-N 1 1 456.428 4.689 20 0 JJADMO CCOC(=O)c1sc([C@H]2CC[N@@H+](CC3(COc4cccc(COC)c4)CCC3)C2)nc1C ZINC001460717452 1067708469 /nfs/dbraw/zinc/70/84/69/1067708469.db2.gz KOBFEHIVDLKFMN-FQEVSTJZSA-N 1 1 458.624 4.813 20 0 JJADMO COc1cccc([C@@H]2CC[N@@H+](CC(=O)N3CCC[C@@H]3c3ccc(OC)c(OC)c3)C2(C)C)c1 ZINC001460720014 1067708832 /nfs/dbraw/zinc/70/88/32/1067708832.db2.gz QBRIRUFLIXLMLJ-XZOQPEGZSA-N 1 1 452.595 4.644 20 0 JJADMO COc1cccc([C@H]2CC[N@@H+](CC(=O)N3CCC[C@@H]3c3ccc(OC)c(OC)c3)C2(C)C)c1 ZINC001460719997 1067708856 /nfs/dbraw/zinc/70/88/56/1067708856.db2.gz QBRIRUFLIXLMLJ-DHIUTWEWSA-N 1 1 452.595 4.644 20 0 JJADMO CC[NH+]1CCN(c2ccc(NC(=O)CN3CC[C@H](c4cccc(Cl)c4)C3(C)C)cc2)CC1 ZINC001460723786 1067709725 /nfs/dbraw/zinc/70/97/25/1067709725.db2.gz FCEULAWDJXRMFB-XMMPIXPASA-N 1 1 455.046 4.689 20 0 JJADMO CN(C[C@H](O)C[N@@H+](C)Cc1ccccc1)[C@H](c1ccccc1)c1ccccc1Br ZINC001460732391 1067711699 /nfs/dbraw/zinc/71/16/99/1067711699.db2.gz RYRNJHUNXVBZGH-RCZVLFRGSA-N 1 1 453.424 4.963 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCOCC3)O2)C1)C1CCCC1 ZINC001460751840 1067716137 /nfs/dbraw/zinc/71/61/37/1067716137.db2.gz RCGKFXVNWYLYBY-ACIOBRDBSA-N 1 1 450.664 4.900 20 0 JJADMO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC001460752314 1067716456 /nfs/dbraw/zinc/71/64/56/1067716456.db2.gz YUSUDFRNZLDDEF-INIZCTEOSA-N 1 1 454.162 4.572 20 0 JJADMO COC[C@@H]([NH2+]Cc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1)[C@H]1CCCOC1 ZINC001460794136 1067724983 /nfs/dbraw/zinc/72/49/83/1067724983.db2.gz YRNYGVLWAGLQAO-IFXJQAMLSA-N 1 1 458.411 4.666 20 0 JJADMO CN(C[C@@H]1CCCC[N@@H+]1CC(=O)NCC1(c2ccccc2)CCCCC1)C(=O)OC(C)(C)C ZINC001460798464 1067725692 /nfs/dbraw/zinc/72/56/92/1067725692.db2.gz XNXWCHBCVIRETN-QHCPKHFHSA-N 1 1 457.659 4.726 20 0 JJADMO CN(C[C@@H]1CCCC[N@H+]1CC(=O)NCC1(c2ccccc2)CCCCC1)C(=O)OC(C)(C)C ZINC001460798464 1067725698 /nfs/dbraw/zinc/72/56/98/1067725698.db2.gz XNXWCHBCVIRETN-QHCPKHFHSA-N 1 1 457.659 4.726 20 0 JJADMO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(Cl)cc2c1OCC2 ZINC001460827881 1067730303 /nfs/dbraw/zinc/73/03/03/1067730303.db2.gz RCQVTJPRVMHKTD-CHWSQXEVSA-N 1 1 450.988 4.753 20 0 JJADMO CC(C)(C)OC(=O)NC1CCC2(CC1)C[N@H+](CCOc1cc(Cl)cc(Cl)c1)CCO2 ZINC001460842204 1067732782 /nfs/dbraw/zinc/73/27/82/1067732782.db2.gz KWNGZWPGBNAOCY-UHFFFAOYSA-N 1 1 459.414 4.911 20 0 JJADMO CC(C)(C)OC(=O)NC1CCC2(CC1)C[N@@H+](CCOc1cc(Cl)cc(Cl)c1)CCO2 ZINC001460842204 1067732789 /nfs/dbraw/zinc/73/27/89/1067732789.db2.gz KWNGZWPGBNAOCY-UHFFFAOYSA-N 1 1 459.414 4.911 20 0 JJADMO CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[N@H+](Cc1ccccc1)C[C@@H](CC(C)C)OC ZINC001460862743 1067736716 /nfs/dbraw/zinc/73/67/16/1067736716.db2.gz ICKVYCHNBGEPJR-SMIHKQSGSA-N 1 1 476.658 4.738 20 0 JJADMO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C1 ZINC001460872406 1067739480 /nfs/dbraw/zinc/73/94/80/1067739480.db2.gz SMHDDCUPNVJADW-VWLOTQADSA-N 1 1 458.599 4.891 20 0 JJADMO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C1 ZINC001460872406 1067739485 /nfs/dbraw/zinc/73/94/85/1067739485.db2.gz SMHDDCUPNVJADW-VWLOTQADSA-N 1 1 458.599 4.891 20 0 JJADMO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@@H+](CC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC001460871510 1067739568 /nfs/dbraw/zinc/73/95/68/1067739568.db2.gz PEXXLDXAUULOTN-AOMKIAJQSA-N 1 1 458.521 4.596 20 0 JJADMO C[C@@]1(NCC(=O)NCc2ccc(OC(F)F)cc2)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001460873953 1067740168 /nfs/dbraw/zinc/74/01/68/1067740168.db2.gz PBEFMPVRBUGVJT-LBNVMWSVSA-N 1 1 479.571 4.552 20 0 JJADMO C[C@@]1([NH2+]CC(=O)NCc2ccc(OC(F)F)cc2)CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001460873953 1067740174 /nfs/dbraw/zinc/74/01/74/1067740174.db2.gz PBEFMPVRBUGVJT-LBNVMWSVSA-N 1 1 479.571 4.552 20 0 JJADMO C[C@@H]1C[N@@H+](CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460879807 1067741349 /nfs/dbraw/zinc/74/13/49/1067741349.db2.gz BWWDJHVXLDCOIP-MEKIYTOJSA-N 1 1 472.029 4.638 20 0 JJADMO CCC1(CC)CN(c2nnc(Cc3ccccn3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CCS1 ZINC001546119838 1067741676 /nfs/dbraw/zinc/74/16/76/1067741676.db2.gz SCIXAYNUGUQZPJ-NRFANRHFSA-N 1 1 470.731 4.886 20 0 JJADMO C[C@H](NC(=O)C[NH+]1CCC(c2nc3c(s2)CCC3)CC1)c1ccc(OC(F)(F)F)cc1 ZINC001460883913 1067742415 /nfs/dbraw/zinc/74/24/15/1067742415.db2.gz AOLBSGHHDBIMSH-AWEZNQCLSA-N 1 1 453.530 4.587 20 0 JJADMO COc1ccc(Br)cc1C[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC001460889170 1067743876 /nfs/dbraw/zinc/74/38/76/1067743876.db2.gz MZLPQPFVPCDFMW-IBGZPJMESA-N 1 1 455.190 4.704 20 0 JJADMO COc1ccc(Br)cc1C[N@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC001460889170 1067743879 /nfs/dbraw/zinc/74/38/79/1067743879.db2.gz MZLPQPFVPCDFMW-IBGZPJMESA-N 1 1 455.190 4.704 20 0 JJADMO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC001460889086 1067743939 /nfs/dbraw/zinc/74/39/39/1067743939.db2.gz KDNWVYRBMDISRF-VFNWGFHPSA-N 1 1 451.792 4.722 20 0 JJADMO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC001460889086 1067743948 /nfs/dbraw/zinc/74/39/48/1067743948.db2.gz KDNWVYRBMDISRF-VFNWGFHPSA-N 1 1 451.792 4.722 20 0 JJADMO COc1ccc(C[N@H+](CCCO)CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC001460907031 1067746271 /nfs/dbraw/zinc/74/62/71/1067746271.db2.gz BXIBTVNYHQNGAM-JOCHJYFZSA-N 1 1 451.394 4.550 20 0 JJADMO COc1ccc(C[N@@H+](CCCO)CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC001460907031 1067746277 /nfs/dbraw/zinc/74/62/77/1067746277.db2.gz BXIBTVNYHQNGAM-JOCHJYFZSA-N 1 1 451.394 4.550 20 0 JJADMO CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)C[N@@H+](C)[C@H]1CCc2ccccc2C1 ZINC001460930762 1067749941 /nfs/dbraw/zinc/74/99/41/1067749941.db2.gz BQQDOSIBUXXPQK-IBGZPJMESA-N 1 1 451.592 4.518 20 0 JJADMO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@@H+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)[C@@H]1C ZINC001460936889 1067750927 /nfs/dbraw/zinc/75/09/27/1067750927.db2.gz HTWIYIBXTSPYQT-MTVYNVTBSA-N 1 1 454.636 4.520 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001460948330 1067752290 /nfs/dbraw/zinc/75/22/90/1067752290.db2.gz NFUARTIUZCWJPO-NBGIEHNGSA-N 1 1 451.652 4.889 20 0 JJADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC001460972646 1067755253 /nfs/dbraw/zinc/75/52/53/1067755253.db2.gz WNWWVMGGSUPQQV-NFBKMPQASA-N 1 1 476.539 4.660 20 0 JJADMO O=C(C[NH+]1CCC(OCc2ccc(Br)cc2)CC1)N[C@@H](c1ccccc1)C1CC1 ZINC001460976281 1067755600 /nfs/dbraw/zinc/75/56/00/1067755600.db2.gz ROEAWCSCPQEAJB-DEOSSOPVSA-N 1 1 457.412 4.698 20 0 JJADMO CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2cc(Cl)cc3ccccc32)CC1 ZINC001460986574 1067757650 /nfs/dbraw/zinc/75/76/50/1067757650.db2.gz PHFHXKREEPHMBB-QFIPXVFZSA-N 1 1 458.002 4.537 20 0 JJADMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CNC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001460994897 1067759220 /nfs/dbraw/zinc/75/92/20/1067759220.db2.gz IQGRPKOERFHYCO-DEOSSOPVSA-N 1 1 452.574 4.559 20 0 JJADMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH2+]C[C@H]1CN(CC(C)C)CCO1 ZINC001460994897 1067759229 /nfs/dbraw/zinc/75/92/29/1067759229.db2.gz IQGRPKOERFHYCO-DEOSSOPVSA-N 1 1 452.574 4.559 20 0 JJADMO CC[NH+](CC)Cc1ccccc1CNCc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1 ZINC001461003992 1067760899 /nfs/dbraw/zinc/76/08/99/1067760899.db2.gz DCEKJFGZADCRSO-HSZRJFAPSA-N 1 1 455.643 4.969 20 0 JJADMO CCC1(CC)CN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)[N@@H+](C)C2CC2)CCS1 ZINC001546120981 1067766355 /nfs/dbraw/zinc/76/63/55/1067766355.db2.gz GPLNVXAJFSFJBU-HXUWFJFHSA-N 1 1 457.688 4.760 20 0 JJADMO CC(C)c1nc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)nn1-c1ccccc1Cl ZINC001461063924 1067773840 /nfs/dbraw/zinc/77/38/40/1067773840.db2.gz SHDSZMWMEXYIOV-UHFFFAOYSA-N 1 1 459.019 4.910 20 0 JJADMO C[C@@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)c1ccc(OCC(F)(F)F)cc1 ZINC001461092723 1067780703 /nfs/dbraw/zinc/78/07/03/1067780703.db2.gz LGKRJTKFTDOEIW-CYBMUJFWSA-N 1 1 455.278 4.822 20 0 JJADMO Cc1cc(Br)c(C[NH2+]Cc2ccccc2N2CCOCC2)cc1Br ZINC001461114824 1067784121 /nfs/dbraw/zinc/78/41/21/1067784121.db2.gz WEQRXABTFUQMPL-UHFFFAOYSA-N 1 1 454.206 4.646 20 0 JJADMO COc1ccc(C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)cc1Br ZINC001461128999 1067787029 /nfs/dbraw/zinc/78/70/29/1067787029.db2.gz PHCOOQBICZCMLM-UHFFFAOYSA-N 1 1 451.162 4.900 20 0 JJADMO CCOc1cc2c(cc1C[NH2+]Cc1cn(-c3ccccc3Br)nc1C)O[C@H](C)C2 ZINC001461141019 1067788295 /nfs/dbraw/zinc/78/82/95/1067788295.db2.gz UMQJGWHUYXLTOO-OAHLLOKOSA-N 1 1 456.384 4.955 20 0 JJADMO COc1ccc(-n2ccc(C[NH2+]Cc3cc(Br)cc(Br)c3)n2)cc1 ZINC001461170209 1067792257 /nfs/dbraw/zinc/79/22/57/1067792257.db2.gz JXPAWXGJBULTHS-UHFFFAOYSA-N 1 1 451.162 4.696 20 0 JJADMO COc1ccc([C@H]([NH2+]Cc2ccc3c(c2)sc(=O)n3C)c2ccc(OC)cc2OC)cc1 ZINC001461209653 1067799739 /nfs/dbraw/zinc/79/97/39/1067799739.db2.gz UYVKTZZWTIMWFC-DEOSSOPVSA-N 1 1 450.560 4.505 20 0 JJADMO Cc1ccc(C(=O)N[C@@H](CC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC001461272368 1067815582 /nfs/dbraw/zinc/81/55/82/1067815582.db2.gz MKEATNJPWMTPER-WNJJXGMVSA-N 1 1 455.602 4.637 20 0 JJADMO CC[C@H](C)CN(C)c1ccc(F)cc1CNc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1 ZINC001461316496 1067826884 /nfs/dbraw/zinc/82/68/84/1067826884.db2.gz GUPBMQQDQDDXKN-NRFANRHFSA-N 1 1 454.634 4.627 20 0 JJADMO C[C@H](Cc1cc(Br)ccc1F)[NH2+]Cc1c(Cl)cccc1N1CCN(C)CC1 ZINC001461365685 1067839238 /nfs/dbraw/zinc/83/92/38/1067839238.db2.gz SWTXRMPNCSPLEZ-OAHLLOKOSA-N 1 1 454.815 4.714 20 0 JJADMO Cc1cc(Br)c(CNc2ccc(N3CCOCC3)[nH+]c2C)cc1Br ZINC001461371798 1067840698 /nfs/dbraw/zinc/84/06/98/1067840698.db2.gz XKONMQGVMPFLDB-UHFFFAOYSA-N 1 1 455.194 4.672 20 0 JJADMO CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC001461380992 1067842808 /nfs/dbraw/zinc/84/28/08/1067842808.db2.gz GWKMODSHYIXERF-BLVKFPJESA-N 1 1 453.743 4.688 20 0 JJADMO Ic1ccc(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC001461382484 1067843426 /nfs/dbraw/zinc/84/34/26/1067843426.db2.gz NKEMKAZPBPNCDM-NZSAHSFTSA-N 1 1 452.405 4.743 20 0 JJADMO Ic1ccc(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC001461382484 1067843428 /nfs/dbraw/zinc/84/34/28/1067843428.db2.gz NKEMKAZPBPNCDM-NZSAHSFTSA-N 1 1 452.405 4.743 20 0 JJADMO COCCN(CC[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)OC(C)(C)C ZINC001461412553 1067849709 /nfs/dbraw/zinc/84/97/09/1067849709.db2.gz KEEYEULKMQJCFN-UHFFFAOYSA-N 1 1 459.534 4.802 20 0 JJADMO Cc1ccc(C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)c(-n2cc(Cl)cn2)n1 ZINC001461440019 1067856739 /nfs/dbraw/zinc/85/67/39/1067856739.db2.gz YHJZVMLVGBFGDY-UHFFFAOYSA-N 1 1 457.763 4.672 20 0 JJADMO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)cc1C(F)(F)F ZINC001461463770 1067862706 /nfs/dbraw/zinc/86/27/06/1067862706.db2.gz UKIKWWNAVFFXRT-UHFFFAOYSA-N 1 1 454.445 4.725 20 0 JJADMO OC[C@@H]([NH2+]Cc1cc(Cl)cc2c1OCC2)c1ccc(Br)cc1C(F)(F)F ZINC001461465547 1067863675 /nfs/dbraw/zinc/86/36/75/1067863675.db2.gz UVONMZHVGZEPKD-MRXNPFEDSA-N 1 1 450.682 4.879 20 0 JJADMO COc1ccc(-c2ccnc(NC(=O)[C@]3(C(F)(F)F)CC[N@@H+](Cc4ccccc4)C3)n2)cc1 ZINC001461483665 1067871612 /nfs/dbraw/zinc/87/16/12/1067871612.db2.gz IUZBEGKQWOPBTL-QHCPKHFHSA-N 1 1 456.468 4.545 20 0 JJADMO COc1ccc(-c2ccnc(NC(=O)[C@@]3(C(F)(F)F)CC[N@@H+](Cc4ccccc4)C3)n2)cc1 ZINC001461483659 1067871725 /nfs/dbraw/zinc/87/17/25/1067871725.db2.gz IUZBEGKQWOPBTL-HSZRJFAPSA-N 1 1 456.468 4.545 20 0 JJADMO CC[N@@H+](CCC1CCN(C(=O)c2cccc(I)c2C)CC1)CC(C)C ZINC001546124883 1067876426 /nfs/dbraw/zinc/87/64/26/1067876426.db2.gz NSBIEBGJWOJIAI-UHFFFAOYSA-N 1 1 456.412 4.820 20 0 JJADMO C[C@H]([NH2+]Cc1ccc(F)cc1I)c1ccc(N2CCCCC2=O)cc1 ZINC001461541526 1067884905 /nfs/dbraw/zinc/88/49/05/1067884905.db2.gz SMJDRSTYXQKHSF-AWEZNQCLSA-N 1 1 452.311 4.798 20 0 JJADMO O=C(OCc1ccccc1)c1ccc(C[NH2+]Cc2cn3ccc(Br)cc3n2)cc1 ZINC001461546399 1067885872 /nfs/dbraw/zinc/88/58/72/1067885872.db2.gz GIFLEWUYDWPSCA-UHFFFAOYSA-N 1 1 450.336 4.744 20 0 JJADMO Fc1ccc(Cn2cc(C[NH2+]Cc3cc(Cl)ccc3I)cn2)cc1 ZINC001461628887 1067905234 /nfs/dbraw/zinc/90/52/34/1067905234.db2.gz IFFONNYTZNTJHH-UHFFFAOYSA-N 1 1 455.702 4.618 20 0 JJADMO COc1cc(Br)c(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1OC ZINC001461665425 1067913323 /nfs/dbraw/zinc/91/33/23/1067913323.db2.gz UGFXKMIMAUMFDW-HXUWFJFHSA-N 1 1 459.428 4.858 20 0 JJADMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)cc1 ZINC001461676348 1067915816 /nfs/dbraw/zinc/91/58/16/1067915816.db2.gz DXQAIIJQQMCRFF-GOSISDBHSA-N 1 1 459.377 4.500 20 0 JJADMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)cc1 ZINC001461676348 1067915822 /nfs/dbraw/zinc/91/58/22/1067915822.db2.gz DXQAIIJQQMCRFF-GOSISDBHSA-N 1 1 459.377 4.500 20 0 JJADMO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC001461711972 1067923132 /nfs/dbraw/zinc/92/31/32/1067923132.db2.gz IXPJIWSPZXRFLT-LAUBAEHRSA-N 1 1 450.549 4.535 20 0 JJADMO CCc1onc(-c2ccc(Br)cc2)c1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001461714376 1067923745 /nfs/dbraw/zinc/92/37/45/1067923745.db2.gz CRCUDGJPZNODKE-LJQANCHMSA-N 1 1 454.368 4.671 20 0 JJADMO CCc1onc(-c2ccc(Br)cc2)c1C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001461714376 1067923753 /nfs/dbraw/zinc/92/37/53/1067923753.db2.gz CRCUDGJPZNODKE-LJQANCHMSA-N 1 1 454.368 4.671 20 0 JJADMO Fc1cccc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)c1I ZINC001461755834 1067931367 /nfs/dbraw/zinc/93/13/67/1067931367.db2.gz OFWYAAFNUZKZRU-NVXWUHKLSA-N 1 1 478.271 4.583 20 0 JJADMO COc1ccc(OC)c(C[NH2+][C@@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)c1 ZINC001461809563 1067940505 /nfs/dbraw/zinc/94/05/05/1067940505.db2.gz GRZLHMRSBJGQJP-QFQXNSOFSA-N 1 1 454.567 4.697 20 0 JJADMO CC(C)(C)OC(=O)Nc1ccc(-c2cccc(C[N@H+]3CCC[C@H]3[C@H](O)C(F)(F)F)n2)cc1 ZINC001461849739 1067946583 /nfs/dbraw/zinc/94/65/83/1067946583.db2.gz NBPBJTOVNLJPGV-PMACEKPBSA-N 1 1 451.489 4.983 20 0 JJADMO COc1ccc(Br)cc1C[N@@H+](C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001461860129 1067949074 /nfs/dbraw/zinc/94/90/74/1067949074.db2.gz ACVMSFRNTHSSEK-AWEZNQCLSA-N 1 1 455.315 4.735 20 0 JJADMO CC(=O)Nc1cc(Br)ccc1C[N@H+](C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001461883378 1067954210 /nfs/dbraw/zinc/95/42/10/1067954210.db2.gz QKAJAVGZCOGQJI-UHFFFAOYSA-N 1 1 454.409 4.675 20 0 JJADMO COC(=O)c1ccc(C[N@H+](C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C)c(Br)c1 ZINC001461890018 1067955368 /nfs/dbraw/zinc/95/53/68/1067955368.db2.gz UGEZLJYULZKZRA-SFHVURJKSA-N 1 1 457.409 4.607 20 0 JJADMO COC(=O)c1ccc(C[N@@H+](C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C)c(Br)c1 ZINC001461890018 1067955372 /nfs/dbraw/zinc/95/53/72/1067955372.db2.gz UGEZLJYULZKZRA-SFHVURJKSA-N 1 1 457.409 4.607 20 0 JJADMO CCC[N@@H+](Cc1cn(-c2ccc(F)c(Cl)c2)nn1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001461898509 1067957114 /nfs/dbraw/zinc/95/71/14/1067957114.db2.gz NSAUXQWFWAZZDN-UHFFFAOYSA-N 1 1 451.974 4.671 20 0 JJADMO COCc1ccccc1/C=C(\C)C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC001461899207 1067957643 /nfs/dbraw/zinc/95/76/43/1067957643.db2.gz ODOGUCOIWHQIPF-XYSGSMRZSA-N 1 1 458.400 4.745 20 0 JJADMO Cc1c(Br)cc(C[N@@H+](C)C[C@H](O)COCc2ccccc2)cc1Br ZINC001461906810 1067958870 /nfs/dbraw/zinc/95/88/70/1067958870.db2.gz LVDFGCPIZDRWFH-KRWDZBQOSA-N 1 1 457.206 4.530 20 0 JJADMO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001461943016 1067965628 /nfs/dbraw/zinc/96/56/28/1067965628.db2.gz QYLCCFVSKKDTJQ-GOSISDBHSA-N 1 1 458.500 4.926 20 0 JJADMO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)c1 ZINC001461963001 1067969842 /nfs/dbraw/zinc/96/98/42/1067969842.db2.gz HLKRJGFHALLCSS-DMKHAHDWSA-N 1 1 477.649 4.725 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H](CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)CC(F)(F)F ZINC001461965165 1067970399 /nfs/dbraw/zinc/97/03/99/1067970399.db2.gz NRBALPUUFWCLNR-HXUWFJFHSA-N 1 1 455.565 4.820 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H](CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)CC(F)(F)F ZINC001461965165 1067970405 /nfs/dbraw/zinc/97/04/05/1067970405.db2.gz NRBALPUUFWCLNR-HXUWFJFHSA-N 1 1 455.565 4.820 20 0 JJADMO Cc1cc(Br)cc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1OC(F)F ZINC001461975366 1067973017 /nfs/dbraw/zinc/97/30/17/1067973017.db2.gz BTTLWGDUOACOIH-AWEZNQCLSA-N 1 1 459.375 4.829 20 0 JJADMO CC(C)(C)OC(=O)NCc1cccc(C[NH+]2CCN(Cc3csc(C(C)(C)C)n3)CC2)c1 ZINC001461976045 1067973564 /nfs/dbraw/zinc/97/35/64/1067973564.db2.gz FPBSRSNCDNTUQH-UHFFFAOYSA-N 1 1 458.672 4.783 20 0 JJADMO Cc1nn(-c2ccccc2Br)cc1CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001461981438 1067974480 /nfs/dbraw/zinc/97/44/80/1067974480.db2.gz GESCRYNHCCTLPG-NRFANRHFSA-N 1 1 453.428 4.897 20 0 JJADMO CC(C)(C)[C@@]1(CN2CCCN(C(=O)c3cccc(F)c3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001462015406 1067981360 /nfs/dbraw/zinc/98/13/60/1067981360.db2.gz SOUJIFYEQNLGIM-MUUNZHRXSA-N 1 1 451.630 4.912 20 0 JJADMO COC(=O)c1ccc(-c2ccc(C[NH+]3CCN(CCOc4ccc(Cl)cc4)CC3)o2)cc1 ZINC001462019629 1067982408 /nfs/dbraw/zinc/98/24/08/1067982408.db2.gz KTGFNWPPWPAFNO-UHFFFAOYSA-N 1 1 454.954 4.583 20 0 JJADMO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+](Cc2ccco2)Cc2cccs2)cnn1C ZINC001462036056 1067985570 /nfs/dbraw/zinc/98/55/70/1067985570.db2.gz CZLVVTNHMCMWPD-LJQANCHMSA-N 1 1 458.628 4.769 20 0 JJADMO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+](C)Cc2ccccc2C(F)(F)F)cnn1C ZINC001462038051 1067986676 /nfs/dbraw/zinc/98/66/76/1067986676.db2.gz BLNYTLUDHZXIFE-KRWDZBQOSA-N 1 1 454.537 4.563 20 0 JJADMO CN(C)c1ccc(F)cc1C[N@H+](C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC001462093280 1068000671 /nfs/dbraw/zinc/00/06/71/1068000671.db2.gz HREZSIDSXCZPGI-LJQANCHMSA-N 1 1 451.380 4.844 20 0 JJADMO CN(C)c1ccc(F)cc1C[N@@H+](C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC001462093280 1068000687 /nfs/dbraw/zinc/00/06/87/1068000687.db2.gz HREZSIDSXCZPGI-LJQANCHMSA-N 1 1 451.380 4.844 20 0 JJADMO CCN(CC)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1)c1ccccc1 ZINC001462102485 1068003464 /nfs/dbraw/zinc/00/34/64/1068003464.db2.gz BMXVVQCGAGEAFW-ZGIBFIJWSA-N 1 1 471.645 4.863 20 0 JJADMO CCN(CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1)c1ccccc1 ZINC001462102485 1068003480 /nfs/dbraw/zinc/00/34/80/1068003480.db2.gz BMXVVQCGAGEAFW-ZGIBFIJWSA-N 1 1 471.645 4.863 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)COc2cc(C)ccc2Cl)cc1 ZINC001462108253 1068005076 /nfs/dbraw/zinc/00/50/76/1068005076.db2.gz MUGJWONHTMPQSO-UKILVPOCSA-N 1 1 464.993 4.820 20 0 JJADMO C[NH+](C)Cc1ccc(NC2CCC(N3C(=O)c4ccccc4C3=O)CC2)cc1Br ZINC001462108091 1068005155 /nfs/dbraw/zinc/00/51/55/1068005155.db2.gz XHGMPFFSBFQBCI-UHFFFAOYSA-N 1 1 456.384 4.530 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)c2ncsc2C(F)(F)F)cc1 ZINC001462108354 1068005203 /nfs/dbraw/zinc/00/52/03/1068005203.db2.gz NKLCLZDCCPHRPU-RBUKOAKNSA-N 1 1 461.509 4.569 20 0 JJADMO CCc1nc(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)nn1-c1ccccc1Cl ZINC001462109816 1068005596 /nfs/dbraw/zinc/00/55/96/1068005596.db2.gz BZXFZVHDXPEPEG-HXUWFJFHSA-N 1 1 452.002 4.658 20 0 JJADMO Cc1ccc(-n2ncc(C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)c2C(F)(F)F)cc1 ZINC001462115401 1068007474 /nfs/dbraw/zinc/00/74/74/1068007474.db2.gz DMKMNMJMDQQZCL-AZUAARDMSA-N 1 1 456.512 4.697 20 0 JJADMO Cc1ccc(-n2ncc(C(=O)NC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)c2C(F)(F)F)cc1 ZINC001462115402 1068007507 /nfs/dbraw/zinc/00/75/07/1068007507.db2.gz DMKMNMJMDQQZCL-ICSRJNTNSA-N 1 1 456.512 4.697 20 0 JJADMO Cc1cc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)nn1-c1ccc(Cl)cc1Cl ZINC001462118862 1068007672 /nfs/dbraw/zinc/00/76/72/1068007672.db2.gz IWESXXLJVKKLJE-APWZRJJASA-N 1 1 457.405 4.985 20 0 JJADMO C[C@@H](NC1CC[NH+](Cc2ccccc2Br)CC1)c1nc(-c2cccc(F)c2)no1 ZINC001462119831 1068008364 /nfs/dbraw/zinc/00/83/64/1068008364.db2.gz MHHVRRCDYBKSOT-OAHLLOKOSA-N 1 1 459.363 4.953 20 0 JJADMO COC(=O)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001462122874 1068010041 /nfs/dbraw/zinc/01/00/41/1068010041.db2.gz BLSWKWWBKMOTPO-SJLPKXTDSA-N 1 1 458.521 4.716 20 0 JJADMO COC(=O)C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001462122874 1068010053 /nfs/dbraw/zinc/01/00/53/1068010053.db2.gz BLSWKWWBKMOTPO-SJLPKXTDSA-N 1 1 458.521 4.716 20 0 JJADMO CCC[N@@H+](CCOc1c(Cl)cc(Cl)cc1Cl)Cc1cccc(S(N)(=O)=O)c1 ZINC001462146540 1068015162 /nfs/dbraw/zinc/01/51/62/1068015162.db2.gz DOOIPLLGBREVDZ-UHFFFAOYSA-N 1 1 451.803 4.585 20 0 JJADMO CC(C)(C)OC(=O)NC(C)(C)c1cc(C[NH+]2CCC(N3CCc4cc(F)ccc43)CC2)on1 ZINC001462154375 1068017520 /nfs/dbraw/zinc/01/75/20/1068017520.db2.gz RSVDEIJUFFITKN-UHFFFAOYSA-N 1 1 458.578 4.601 20 0 JJADMO CCC1(Cn2c(-c3cc(F)ccc3Br)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)CCC1 ZINC001546129707 1068018367 /nfs/dbraw/zinc/01/83/67/1068018367.db2.gz PQBJYIXXGZMUQZ-QGZVFWFLSA-N 1 1 494.453 4.584 20 0 JJADMO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC001462224305 1068032079 /nfs/dbraw/zinc/03/20/79/1068032079.db2.gz GEJOSEFAJARTGU-NRFANRHFSA-N 1 1 456.384 4.995 20 0 JJADMO Fc1ccc(I)c(F)c1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC001462225386 1068032126 /nfs/dbraw/zinc/03/21/26/1068032126.db2.gz MDAJCGVLMLCVJU-OGWOLHLISA-N 1 1 455.286 4.574 20 0 JJADMO Fc1ccc(I)c(F)c1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC001462225386 1068032138 /nfs/dbraw/zinc/03/21/38/1068032138.db2.gz MDAJCGVLMLCVJU-OGWOLHLISA-N 1 1 455.286 4.574 20 0 JJADMO CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001462234293 1068035033 /nfs/dbraw/zinc/03/50/33/1068035033.db2.gz ZIIIMEUQBPKUCO-PKTZIBPZSA-N 1 1 455.643 4.585 20 0 JJADMO CC(C)(C)OC(=O)N[C@H]1C[C@@](C(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)(c2ccccc2)C1 ZINC001462239812 1068035704 /nfs/dbraw/zinc/03/57/04/1068035704.db2.gz BUYHEMOAKBADRM-WHCXKFMVSA-N 1 1 455.643 4.525 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCC[N@@H+](C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001462249099 1068037998 /nfs/dbraw/zinc/03/79/98/1068037998.db2.gz RKNVPKWJCVGXPK-HBMCJLEFSA-N 1 1 451.652 4.603 20 0 JJADMO COC(=O)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001462272519 1068042240 /nfs/dbraw/zinc/04/22/40/1068042240.db2.gz CMEZJEMDYJXNST-RBUKOAKNSA-N 1 1 455.599 4.814 20 0 JJADMO COC(=O)[C@@H](C)Oc1ccc(C[N@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)cc1 ZINC001462280782 1068043048 /nfs/dbraw/zinc/04/30/48/1068043048.db2.gz GULDXVAWNOYZFR-IERDGZPVSA-N 1 1 451.485 4.998 20 0 JJADMO Cc1nn(-c2ccccc2Br)cc1C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC001462284234 1068043514 /nfs/dbraw/zinc/04/35/14/1068043514.db2.gz QAPCKAZCGQHMMP-XMMPIXPASA-N 1 1 454.412 4.760 20 0 JJADMO CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001462302185 1068047288 /nfs/dbraw/zinc/04/72/88/1068047288.db2.gz CSCRHVCNNVQHQI-AREMUKBSSA-N 1 1 455.599 4.876 20 0 JJADMO COc1cc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc(OC)c1OCC(F)F ZINC001462333487 1068053081 /nfs/dbraw/zinc/05/30/81/1068053081.db2.gz OJDPSSZRGXMWBL-KRWDZBQOSA-N 1 1 453.448 4.529 20 0 JJADMO COc1ccc([C@@H](O)C[N@@H+](Cc2ccc3c(c2)CCC(=O)N3C)[C@@H](C)Cc2ccccc2)cc1 ZINC001462339002 1068053914 /nfs/dbraw/zinc/05/39/14/1068053914.db2.gz FIONXWVJCRTPGM-KMRXNPHXSA-N 1 1 458.602 4.771 20 0 JJADMO COc1ccc([C@H](O)C[N@@H+](Cc2ccc3c(c2)CCC(=O)N3C)[C@H](C)Cc2ccccc2)cc1 ZINC001462339005 1068054226 /nfs/dbraw/zinc/05/42/26/1068054226.db2.gz FIONXWVJCRTPGM-LYZGTLIUSA-N 1 1 458.602 4.771 20 0 JJADMO Clc1nc(N2CCOCC2)sc1C[N@H+]1CCC[C@H]1Cc1ccccc1Br ZINC001462355257 1068058242 /nfs/dbraw/zinc/05/82/42/1068058242.db2.gz LPGPWCPNGBGSPV-HNNXBMFYSA-N 1 1 456.837 4.603 20 0 JJADMO COc1ccc(N(C(C)=O)c2nc(C[NH2+]CC[C@@H]3CSc4ccccc4O3)cs2)cc1 ZINC001462371059 1068061354 /nfs/dbraw/zinc/06/13/54/1068061354.db2.gz YTEMQVUZJDHRNT-HXUWFJFHSA-N 1 1 455.605 4.869 20 0 JJADMO COC(=O)Cn1cc(C[N@H+](C)[C@H]2CC[C@@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)nn1 ZINC001462398315 1068065784 /nfs/dbraw/zinc/06/57/84/1068065784.db2.gz WLXVSVDPFKNIFL-JTSKRJEESA-N 1 1 459.377 4.857 20 0 JJADMO COC(=O)Cn1cc(C[N@@H+](C)[C@H]2CC[C@@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)nn1 ZINC001462398315 1068065797 /nfs/dbraw/zinc/06/57/97/1068065797.db2.gz WLXVSVDPFKNIFL-JTSKRJEESA-N 1 1 459.377 4.857 20 0 JJADMO Cc1ccc(-c2ncc(C[N@H+](Cc3cc(C)c(C)c(S(N)(=O)=O)c3)C3CC3)s2)cc1C ZINC001462411348 1068068695 /nfs/dbraw/zinc/06/86/95/1068068695.db2.gz OTIYLIXGYZWUDG-UHFFFAOYSA-N 1 1 455.649 4.856 20 0 JJADMO Cc1ccc(-c2ncc(C[N@@H+](Cc3cc(C)c(C)c(S(N)(=O)=O)c3)C3CC3)s2)cc1C ZINC001462411348 1068068712 /nfs/dbraw/zinc/06/87/12/1068068712.db2.gz OTIYLIXGYZWUDG-UHFFFAOYSA-N 1 1 455.649 4.856 20 0 JJADMO Cc1ccc(-n2c(Cl)c(CN3CC[C@@H]([N@@H+](C)CCc4ccccc4)C3)nc2N(C)C)cc1 ZINC001462411246 1068068925 /nfs/dbraw/zinc/06/89/25/1068068925.db2.gz FGPIIAOQPPJYKB-HSZRJFAPSA-N 1 1 452.046 4.649 20 0 JJADMO Cc1ccc(OCCCC(=O)N2CC[C@@]3(C2)C[N@@H+](Cc2ccccc2)C[C@H](C)O3)c(Cl)c1 ZINC001462436188 1068073586 /nfs/dbraw/zinc/07/35/86/1068073586.db2.gz FHILNNIIOVDMPC-LVXARBLLSA-N 1 1 457.014 4.699 20 0 JJADMO Cc1ccc(OCCCC(=O)N2CC[C@@]3(C2)C[N@H+](Cc2ccccc2)C[C@H](C)O3)c(Cl)c1 ZINC001462436188 1068073600 /nfs/dbraw/zinc/07/36/00/1068073600.db2.gz FHILNNIIOVDMPC-LVXARBLLSA-N 1 1 457.014 4.699 20 0 JJADMO COC(=O)c1ccc(COc2ccccc2C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC001462437013 1068074132 /nfs/dbraw/zinc/07/41/32/1068074132.db2.gz ITDZTXNCUUSHNX-XXBNENTESA-N 1 1 453.579 4.852 20 0 JJADMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)C2)O1 ZINC001462449380 1068077043 /nfs/dbraw/zinc/07/70/43/1068077043.db2.gz YDOFRLNKKGSZDK-KSFYIVLOSA-N 1 1 452.904 4.864 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)C2)O1 ZINC001462449380 1068077059 /nfs/dbraw/zinc/07/70/59/1068077059.db2.gz YDOFRLNKKGSZDK-KSFYIVLOSA-N 1 1 452.904 4.864 20 0 JJADMO CCc1ccc(C[NH+]2CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)c3ccccc3)CC2)cc1 ZINC001462473839 1068081320 /nfs/dbraw/zinc/08/13/20/1068081320.db2.gz WTLIMEZGNXFCEG-DEOSSOPVSA-N 1 1 451.611 4.549 20 0 JJADMO CN(Cc1cc(Br)cc(C(F)(F)F)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001462477623 1068082064 /nfs/dbraw/zinc/08/20/64/1068082064.db2.gz HXCJLRYRGJXOSM-FQEVSTJZSA-N 1 1 457.334 4.537 20 0 JJADMO C[N@H+](Cc1cc(Br)cc(C(F)(F)F)c1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001462477623 1068082079 /nfs/dbraw/zinc/08/20/79/1068082079.db2.gz HXCJLRYRGJXOSM-FQEVSTJZSA-N 1 1 457.334 4.537 20 0 JJADMO C[N@@H+](Cc1cc(Br)cc(C(F)(F)F)c1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001462477623 1068082089 /nfs/dbraw/zinc/08/20/89/1068082089.db2.gz HXCJLRYRGJXOSM-FQEVSTJZSA-N 1 1 457.334 4.537 20 0 JJADMO CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)o3)C2)[nH]n1 ZINC001462562013 1068098735 /nfs/dbraw/zinc/09/87/35/1068098735.db2.gz KNKGEPNGLSYYNB-LJQANCHMSA-N 1 1 457.619 4.563 20 0 JJADMO CC(C)c1cc([C@@H]2CCC[N@H+](Cc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)o3)C2)n[nH]1 ZINC001462562013 1068098745 /nfs/dbraw/zinc/09/87/45/1068098745.db2.gz KNKGEPNGLSYYNB-LJQANCHMSA-N 1 1 457.619 4.563 20 0 JJADMO CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)o3)C2)n[nH]1 ZINC001462562013 1068098756 /nfs/dbraw/zinc/09/87/56/1068098756.db2.gz KNKGEPNGLSYYNB-LJQANCHMSA-N 1 1 457.619 4.563 20 0 JJADMO CC(=O)N(c1nc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)cs1)c1cccc(Cl)c1 ZINC001462589843 1068105705 /nfs/dbraw/zinc/10/57/05/1068105705.db2.gz KRXMKODNUJVTFQ-SVBQBFEESA-N 1 1 450.004 4.543 20 0 JJADMO O=C(NCc1cc(C(F)(F)F)cc(Cl)n1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001462599050 1068108720 /nfs/dbraw/zinc/10/87/20/1068108720.db2.gz XHEGHPPIUFIOGD-LEWJYISDSA-N 1 1 474.914 4.681 20 0 JJADMO C[C@@H]1C[C@@H](C[N@H+]2CC[C@@]3(C2)CCCCN3C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC001462601863 1068109585 /nfs/dbraw/zinc/10/95/85/1068109585.db2.gz FYVBCRWFKVDGQM-OHUGHZGNSA-N 1 1 451.652 4.888 20 0 JJADMO CC(C)(C)OC(=O)NCc1cccc(C[N@H+]2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)c1 ZINC001462616318 1068112965 /nfs/dbraw/zinc/11/29/65/1068112965.db2.gz GNOCVBDQGGTCBM-QFIPXVFZSA-N 1 1 458.002 4.759 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H](C2CC[NH+](Cc3cn(Cc4ccccc4)nn3)CC2)CC1 ZINC001462620647 1068113705 /nfs/dbraw/zinc/11/37/05/1068113705.db2.gz HVSQGODSNJOCOA-QFIPXVFZSA-N 1 1 453.631 4.576 20 0 JJADMO CC(C)(C)OC(=O)NCC[C@H]1CC[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC001462623768 1068115569 /nfs/dbraw/zinc/11/55/69/1068115569.db2.gz CGNFSCRXFDRXRI-SFHVURJKSA-N 1 1 452.521 4.687 20 0 JJADMO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC001462623763 1068115724 /nfs/dbraw/zinc/11/57/24/1068115724.db2.gz CGNFSCRXFDRXRI-GOSISDBHSA-N 1 1 452.521 4.687 20 0 JJADMO C[C@@H]1C[N@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001462631133 1068118119 /nfs/dbraw/zinc/11/81/19/1068118119.db2.gz UFOJBAKTOIISLX-CABCVRRESA-N 1 1 454.402 4.557 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001462631133 1068118124 /nfs/dbraw/zinc/11/81/24/1068118124.db2.gz UFOJBAKTOIISLX-CABCVRRESA-N 1 1 454.402 4.557 20 0 JJADMO CC(C)[C@@H]1CCC[C@](NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)(C(F)(F)F)CC1 ZINC001462648461 1068123809 /nfs/dbraw/zinc/12/38/09/1068123809.db2.gz RHZQGMDOPWFWMF-LCKKVJLRSA-N 1 1 456.597 4.888 20 0 JJADMO O=C(CCc1ncc(-c2ccccc2F)o1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001462769012 1068161222 /nfs/dbraw/zinc/16/12/22/1068161222.db2.gz FXYVDZYCEMJFLQ-UYAOXDASSA-N 1 1 461.459 4.592 20 0 JJADMO O=C(CCc1ncc(-c2ccccc2F)o1)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001462769012 1068161225 /nfs/dbraw/zinc/16/12/25/1068161225.db2.gz FXYVDZYCEMJFLQ-UYAOXDASSA-N 1 1 461.459 4.592 20 0 JJADMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1cc(Br)c(F)cc1F ZINC001462770399 1068162404 /nfs/dbraw/zinc/16/24/04/1068162404.db2.gz PQGJRDRBFRHEEJ-CXAGYDPISA-N 1 1 463.244 4.520 20 0 JJADMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1cc(Br)c(F)cc1F ZINC001462770399 1068162410 /nfs/dbraw/zinc/16/24/10/1068162410.db2.gz PQGJRDRBFRHEEJ-CXAGYDPISA-N 1 1 463.244 4.520 20 0 JJADMO CC(C)n1ncc2cc(S(=O)(=O)NCc3ccc(C[N@@H+]4C[C@H](C)C[C@H](C)C4)cc3)ccc21 ZINC001462839880 1068186337 /nfs/dbraw/zinc/18/63/37/1068186337.db2.gz WJTKOMCOCLWHKW-BGYRXZFFSA-N 1 1 454.640 4.574 20 0 JJADMO C[C@H]1C[N@H+](Cc2cccc(CNS(=O)(=O)Cc3ccc(C4CCCCC4)cc3)c2)CCO1 ZINC001462886495 1068203351 /nfs/dbraw/zinc/20/33/51/1068203351.db2.gz JZLYXKHZVNDQSM-NRFANRHFSA-N 1 1 456.652 4.575 20 0 JJADMO C[C@H]1C[N@@H+](Cc2cccc(CNS(=O)(=O)Cc3ccc(C4CCCCC4)cc3)c2)CCO1 ZINC001462886495 1068203362 /nfs/dbraw/zinc/20/33/62/1068203362.db2.gz JZLYXKHZVNDQSM-NRFANRHFSA-N 1 1 456.652 4.575 20 0 JJADMO CCN([C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C)c(Br)c1 ZINC001462894898 1068206404 /nfs/dbraw/zinc/20/64/04/1068206404.db2.gz GOCZKGPULNKXIX-PKOBYXMFSA-N 1 1 451.430 4.604 20 0 JJADMO C[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2cc(Br)c(Cl)cc2Cl)C1 ZINC001462904532 1068210518 /nfs/dbraw/zinc/21/05/18/1068210518.db2.gz CTTADOLYHLDJCR-LLVKDONJSA-N 1 1 458.249 4.545 20 0 JJADMO O=S(=O)(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC001463031641 1068257682 /nfs/dbraw/zinc/25/76/82/1068257682.db2.gz BLRNJXRJQSRYNS-IBGZPJMESA-N 1 1 454.061 4.787 20 0 JJADMO C[C@@H](C(=O)N[C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)n1ccc(C(F)(F)F)n1 ZINC001463145781 1068302225 /nfs/dbraw/zinc/30/22/25/1068302225.db2.gz DWDLWECUWVYWIJ-NSXLHWASSA-N 1 1 456.512 4.637 20 0 JJADMO C[C@@]1(NC(=O)[C@@H](C[C@@H]2CCCO2)C(F)(F)F)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001463149617 1068303501 /nfs/dbraw/zinc/30/35/01/1068303501.db2.gz OQLPSEZQRUNFOG-ONTNHIFESA-N 1 1 460.540 4.909 20 0 JJADMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)[C@H]1c1cccs1 ZINC001463152159 1068304719 /nfs/dbraw/zinc/30/47/19/1068304719.db2.gz BPFAXPNNIZHSIA-SJCJKPOMSA-N 1 1 452.951 4.782 20 0 JJADMO CN(CCc1cccs1)S(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001463215473 1068322978 /nfs/dbraw/zinc/32/29/78/1068322978.db2.gz GBUDEAKYIJFYMO-BJKOFHAPSA-N 1 1 475.079 4.874 20 0 JJADMO CCCOc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1CC ZINC001463278437 1068342249 /nfs/dbraw/zinc/34/22/49/1068342249.db2.gz GLHNJVHCTLANMD-NOZRDPDXSA-N 1 1 456.652 4.713 20 0 JJADMO CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001463344346 1068364495 /nfs/dbraw/zinc/36/44/95/1068364495.db2.gz UAPWTOONIDRODP-SBFWRKJZSA-N 1 1 469.670 4.829 20 0 JJADMO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001463434888 1068396061 /nfs/dbraw/zinc/39/60/61/1068396061.db2.gz QOTRURXYNZDZEG-SGTLLEGYSA-N 1 1 451.778 4.757 20 0 JJADMO C[N@H+]1CC[C@@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001463434888 1068396075 /nfs/dbraw/zinc/39/60/75/1068396075.db2.gz QOTRURXYNZDZEG-SGTLLEGYSA-N 1 1 451.778 4.757 20 0 JJADMO O=S(=O)(NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccc(OCC(F)F)c2ccccc21 ZINC001463614739 1068467081 /nfs/dbraw/zinc/46/70/81/1068467081.db2.gz VXWGOZNOPAWWEE-GOSISDBHSA-N 1 1 452.567 4.559 20 0 JJADMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccccc1CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001463731286 1068506734 /nfs/dbraw/zinc/50/67/34/1068506734.db2.gz QWJLJSBNEDCTNU-NRFANRHFSA-N 1 1 457.659 4.871 20 0 JJADMO COc1cc(C)c(S(=O)(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1C(C)C ZINC001463769458 1068518873 /nfs/dbraw/zinc/51/88/73/1068518873.db2.gz VGSLLBMDVNXRLC-NOTZXAQLSA-N 1 1 456.652 4.991 20 0 JJADMO CCC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)c2C1 ZINC001463773233 1068520634 /nfs/dbraw/zinc/52/06/34/1068520634.db2.gz BCEBQEQJUUSGJT-SFTDATJTSA-N 1 1 451.655 4.863 20 0 JJADMO O=C(NN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccc(C(F)(F)F)c(F)c1 ZINC001463792831 1068526033 /nfs/dbraw/zinc/52/60/33/1068526033.db2.gz CPCNVDYANCCYOK-UHFFFAOYSA-N 1 1 457.471 4.897 20 0 JJADMO CC(C)Cc1ccc([C@@H](CNS(=O)(=O)c2c3ncsc3ccc2Cl)[NH+](C)C)cc1 ZINC001463824028 1068536289 /nfs/dbraw/zinc/53/62/89/1068536289.db2.gz ODSJOLPVBURODB-GOSISDBHSA-N 1 1 452.045 4.729 20 0 JJADMO CC(C)(C)n1cc(Br)c(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)n1 ZINC001463838603 1068543077 /nfs/dbraw/zinc/54/30/77/1068543077.db2.gz PXDAKFLBSLOAFY-QGZVFWFLSA-N 1 1 453.812 4.621 20 0 JJADMO CCC(CC)[C@H](CNC(=O)c1c(C)onc1-c1cccc(Cl)c1Cl)[NH+]1CCOCC1 ZINC001463873733 1068553061 /nfs/dbraw/zinc/55/30/61/1068553061.db2.gz NTMVCBLVVYPFBZ-SFHVURJKSA-N 1 1 454.398 4.824 20 0 JJADMO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001463874667 1068553494 /nfs/dbraw/zinc/55/34/94/1068553494.db2.gz QFFUPVMVCBOTMH-QGZVFWFLSA-N 1 1 459.403 4.816 20 0 JJADMO COc1ccc(C[N@H+]2CCCN(C(=O)/C(=C/c3ccccc3OC)c3ccccc3)CC2)cc1 ZINC001463900308 1068559860 /nfs/dbraw/zinc/55/98/60/1068559860.db2.gz WENMZDOLFKZVBV-SZXQPVLSSA-N 1 1 456.586 4.979 20 0 JJADMO Cc1cc(OCC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)ccc1Br ZINC001463909709 1068562348 /nfs/dbraw/zinc/56/23/48/1068562348.db2.gz XATMLBCSTGAQSX-UHFFFAOYSA-N 1 1 451.792 4.524 20 0 JJADMO Cc1cc(OCC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)ccc1Br ZINC001463909709 1068562356 /nfs/dbraw/zinc/56/23/56/1068562356.db2.gz XATMLBCSTGAQSX-UHFFFAOYSA-N 1 1 451.792 4.524 20 0 JJADMO COc1cc(CN(C)C(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)ccc1OCc1ccccc1 ZINC001463998888 1068584272 /nfs/dbraw/zinc/58/42/72/1068584272.db2.gz ORSWZQWGMOVRFV-RUZDIDTESA-N 1 1 459.590 4.682 20 0 JJADMO COc1cc(CN(C)C(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)ccc1OCc1ccccc1 ZINC001463998888 1068584285 /nfs/dbraw/zinc/58/42/85/1068584285.db2.gz ORSWZQWGMOVRFV-RUZDIDTESA-N 1 1 459.590 4.682 20 0 JJADMO O=C(/C=C/c1ccc[nH]1)N1CC[NH+](Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC001464004323 1068586053 /nfs/dbraw/zinc/58/60/53/1068586053.db2.gz MCIFJNTYGWIZBQ-RMKNXTFCSA-N 1 1 456.409 4.863 20 0 JJADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)n[nH]2)CC1 ZINC001464087629 1068610409 /nfs/dbraw/zinc/61/04/09/1068610409.db2.gz QGSOIBOGFGKHBT-UHFFFAOYSA-N 1 1 458.484 4.632 20 0 JJADMO CC[C@@H](CNC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl)[N@H+]1CCc2ccccc2C1 ZINC001464099783 1068615320 /nfs/dbraw/zinc/61/53/20/1068615320.db2.gz LHRBOVVTWNZFFC-NRFANRHFSA-N 1 1 456.030 4.569 20 0 JJADMO O=C(CC1(CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCCC1)Nc1nccs1 ZINC001464108181 1068618290 /nfs/dbraw/zinc/61/82/90/1068618290.db2.gz WKRNRHRQZXCLGQ-OAQYLSRUSA-N 1 1 454.640 4.593 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)Cc3ccc(OCc4ccccc4)cc3)cc2)C[C@H](C)O1 ZINC001464121224 1068622454 /nfs/dbraw/zinc/62/24/54/1068622454.db2.gz MAIWLCBARXJRFS-ZRZAMGCNSA-N 1 1 458.602 4.734 20 0 JJADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001464154630 1068635850 /nfs/dbraw/zinc/63/58/50/1068635850.db2.gz HFPGJDQHJSZRGF-PCGJDWNTSA-N 1 1 455.643 4.857 20 0 JJADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)C1 ZINC001464157740 1068637059 /nfs/dbraw/zinc/63/70/59/1068637059.db2.gz YROJAPLHAZWHLO-HYBUGGRVSA-N 1 1 451.611 4.801 20 0 JJADMO CC1(C)C[N@H+](Cc2ccccc2)C(C)(C)CN1S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC001464172394 1068642926 /nfs/dbraw/zinc/64/29/26/1068642926.db2.gz NNOPZPMXYCGNIG-UHFFFAOYSA-N 1 1 456.530 4.649 20 0 JJADMO CC1(C)C[N@@H+](Cc2ccccc2)C(C)(C)CN1S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC001464172394 1068642931 /nfs/dbraw/zinc/64/29/31/1068642931.db2.gz NNOPZPMXYCGNIG-UHFFFAOYSA-N 1 1 456.530 4.649 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)C2(OCc3ccccc3)CCOCC2)C1 ZINC001464191742 1068650144 /nfs/dbraw/zinc/65/01/44/1068650144.db2.gz BXCDIKRCVATBJE-ZRZAMGCNSA-N 1 1 450.623 4.547 20 0 JJADMO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001464191472 1068650282 /nfs/dbraw/zinc/65/02/82/1068650282.db2.gz BMHXXXGFAXQCLT-DLBZAZTESA-N 1 1 452.451 4.801 20 0 JJADMO CC(C)c1ccc([C@@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)[N@@H+]2CCc3sccc3C2)cc1 ZINC001464206567 1068656798 /nfs/dbraw/zinc/65/67/98/1068656798.db2.gz LFJYYTNTLIIJIE-PGRDOPGGSA-N 1 1 455.668 4.638 20 0 JJADMO CC(C)c1ccc([C@@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)[N@H+]2CCc3sccc3C2)cc1 ZINC001464206567 1068656805 /nfs/dbraw/zinc/65/68/05/1068656805.db2.gz LFJYYTNTLIIJIE-PGRDOPGGSA-N 1 1 455.668 4.638 20 0 JJADMO CC(C)c1ccc([C@@H](CNC(=O)[C@@H](C)N2CCSCC2)[N@@H+]2CCc3sccc3C2)cc1 ZINC001464206505 1068656837 /nfs/dbraw/zinc/65/68/37/1068656837.db2.gz KTMCJCGFTUHXME-AUSIDOKSSA-N 1 1 457.709 4.524 20 0 JJADMO CC(C)c1ccc([C@@H](CNC(=O)[C@@H](C)N2CCSCC2)[N@H+]2CCc3sccc3C2)cc1 ZINC001464206505 1068656844 /nfs/dbraw/zinc/65/68/44/1068656844.db2.gz KTMCJCGFTUHXME-AUSIDOKSSA-N 1 1 457.709 4.524 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)C1 ZINC001464220216 1068662482 /nfs/dbraw/zinc/66/24/82/1068662482.db2.gz QZANVYYNHQTDLO-IYBDPMFKSA-N 1 1 456.940 4.701 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccc(Br)c(OC(F)(F)F)c2)C1 ZINC001464222532 1068663697 /nfs/dbraw/zinc/66/36/97/1068663697.db2.gz YYRZKAUCJHNDFZ-OKILXGFUSA-N 1 1 451.327 4.836 20 0 JJADMO C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001464234104 1068667725 /nfs/dbraw/zinc/66/77/25/1068667725.db2.gz IYUAHWWBLIEUNG-DFBJGRDBSA-N 1 1 451.586 4.981 20 0 JJADMO CCC(F)(F)C(C)(C)CS(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001464236896 1068669160 /nfs/dbraw/zinc/66/91/60/1068669160.db2.gz URXOEQOGOXDHHE-XZOQPEGZSA-N 1 1 480.621 4.654 20 0 JJADMO CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)c2)n1 ZINC001464243605 1068673466 /nfs/dbraw/zinc/67/34/66/1068673466.db2.gz XRTHGQVMOBBMBC-NRFANRHFSA-N 1 1 452.505 4.508 20 0 JJADMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(OCC2CCCCC2)cc1 ZINC001464278022 1068686810 /nfs/dbraw/zinc/68/68/10/1068686810.db2.gz WVYZQBBKVHPYBH-LVXARBLLSA-N 1 1 456.652 4.835 20 0 JJADMO O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC001464281093 1068689418 /nfs/dbraw/zinc/68/94/18/1068689418.db2.gz KWNGEBBKMDATRZ-VWNXMTODSA-N 1 1 458.021 4.687 20 0 JJADMO CCCOc1cc(C)ccc1NC(=O)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001464311799 1068701272 /nfs/dbraw/zinc/70/12/72/1068701272.db2.gz KJNCJCKKTOFGEC-QFIPXVFZSA-N 1 1 455.599 4.748 20 0 JJADMO CCN(C(=O)Cc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)cc1)c1ccccc1 ZINC001464331765 1068709134 /nfs/dbraw/zinc/70/91/34/1068709134.db2.gz DYXOWKKEMLDCHN-AREMUKBSSA-N 1 1 456.590 4.670 20 0 JJADMO CCN(C(=O)Cc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)cc1)c1ccccc1 ZINC001464331765 1068709140 /nfs/dbraw/zinc/70/91/40/1068709140.db2.gz DYXOWKKEMLDCHN-AREMUKBSSA-N 1 1 456.590 4.670 20 0 JJADMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(-n3nc(SCc4ccccc4)sc3=S)cc2)C1 ZINC001464365656 1068720524 /nfs/dbraw/zinc/72/05/24/1068720524.db2.gz VFAZDPBMRGZCQF-QGZVFWFLSA-N 1 1 456.662 4.637 20 0 JJADMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC001464412793 1068737175 /nfs/dbraw/zinc/73/71/75/1068737175.db2.gz GWEAGVMPNPKCBF-ZBNTXBBCSA-N 1 1 456.030 4.684 20 0 JJADMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC001464412792 1068737333 /nfs/dbraw/zinc/73/73/33/1068737333.db2.gz GWEAGVMPNPKCBF-VKDGWMQASA-N 1 1 456.030 4.684 20 0 JJADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)c3ncoc3-c3cccc(C(F)(F)F)c3)c2)CCO1 ZINC001464420928 1068739664 /nfs/dbraw/zinc/73/96/64/1068739664.db2.gz KOXQKDPDXZJOLE-MRXNPFEDSA-N 1 1 459.468 4.511 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ncoc3-c3cccc(C(F)(F)F)c3)c2)CCO1 ZINC001464420928 1068739679 /nfs/dbraw/zinc/73/96/79/1068739679.db2.gz KOXQKDPDXZJOLE-MRXNPFEDSA-N 1 1 459.468 4.511 20 0 JJADMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 ZINC001464434936 1068743911 /nfs/dbraw/zinc/74/39/11/1068743911.db2.gz UGHDGEXLODVQRO-CEXWTWQISA-N 1 1 459.660 4.618 20 0 JJADMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 ZINC001464452640 1068751316 /nfs/dbraw/zinc/75/13/16/1068751316.db2.gz XTIDKYOVMPXORJ-ROUUACIJSA-N 1 1 459.516 4.532 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)c(Cl)c2)C1 ZINC001464453591 1068752018 /nfs/dbraw/zinc/75/20/18/1068752018.db2.gz REUNRFMVLAAAFC-QFIPXVFZSA-N 1 1 455.046 4.721 20 0 JJADMO CC(C)(CNC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC001464492755 1068765621 /nfs/dbraw/zinc/76/56/21/1068765621.db2.gz NDFYRGOIQCJBOV-SANMLTNESA-N 1 1 455.602 4.501 20 0 JJADMO CN(Cc1ccn(-c2ccccc2)n1)C(=O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001464641319 1068808813 /nfs/dbraw/zinc/80/88/13/1068808813.db2.gz YWFVCAYUIDSGLN-MHZLTWQESA-N 1 1 456.565 4.871 20 0 JJADMO CC(C)(C)C(=O)c1ccc(S(=O)(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC001464703168 1068830437 /nfs/dbraw/zinc/83/04/37/1068830437.db2.gz BOTNDVDMUDDCTJ-IZZNHLLZSA-N 1 1 476.642 4.862 20 0 JJADMO CC(C)(C)C(=O)c1ccc(S(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC001464703168 1068830459 /nfs/dbraw/zinc/83/04/59/1068830459.db2.gz BOTNDVDMUDDCTJ-IZZNHLLZSA-N 1 1 476.642 4.862 20 0 JJADMO C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCC5(C[C@@H]5CCO)CC4)c23)C1 ZINC001164390642 718811643 /nfs/dbraw/zinc/81/16/43/718811643.db2.gz BAQOJHOVPKKHAH-OALUTQOASA-N 1 1 454.684 4.791 20 0 JJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H](c3ncn4c3cccc4Br)C2)nc1 ZINC001164420309 718891248 /nfs/dbraw/zinc/89/12/48/718891248.db2.gz TZAIITGWYOQOIL-UYAOXDASSA-N 1 1 470.415 4.617 20 0 JJADMO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164630151 719095664 /nfs/dbraw/zinc/09/56/64/719095664.db2.gz VPVMXYCMZBVLMK-VQTJNVASSA-N 1 1 455.940 4.838 20 0 JJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)CC2 ZINC001164650435 719310038 /nfs/dbraw/zinc/31/00/38/719310038.db2.gz YFFODMLMDYIAAQ-UHFFFAOYSA-N 1 1 469.367 4.883 20 0 JJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nnc(-c3ccc(F)c(F)c3)c3ccccc31)CC2 ZINC001164652077 719315073 /nfs/dbraw/zinc/31/50/73/719315073.db2.gz NBJABMBZHFVYQV-UHFFFAOYSA-N 1 1 462.548 4.977 20 0 JJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)CC2 ZINC001164650410 719316541 /nfs/dbraw/zinc/31/65/41/719316541.db2.gz DGFGJQJFCZQVKP-UHFFFAOYSA-N 1 1 460.960 4.744 20 0 JJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)CC2 ZINC001164650362 719316581 /nfs/dbraw/zinc/31/65/81/719316581.db2.gz CFOLOEPVSYZCPC-UHFFFAOYSA-N 1 1 460.960 4.744 20 0 JJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(-c3ccccn3)c(-c3ccccn3)nc1Cl)CC2 ZINC001164654997 719317772 /nfs/dbraw/zinc/31/77/72/719317772.db2.gz UREQZBJSBVTLEO-UHFFFAOYSA-N 1 1 489.027 4.656 20 0 JJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3c(c(COc4cccnc4)nn3CC3CC3)C2)nc1 ZINC001164654284 719323431 /nfs/dbraw/zinc/32/34/31/719323431.db2.gz JVPRHVUEZHCRNW-AREMUKBSSA-N 1 1 472.637 4.772 20 0 JJADMO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3cc(OC)ccc3c[nH+]1)CC2 ZINC001164658876 719352713 /nfs/dbraw/zinc/35/27/13/719352713.db2.gz KUWXVSXJWKTDMO-UHFFFAOYSA-N 1 1 453.590 4.938 20 0 JJADMO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(-c4ccccn4)nc4ccccc42)CC3)cc1 ZINC001164669842 719520815 /nfs/dbraw/zinc/52/08/15/719520815.db2.gz AGQYDPJHHQMMHH-UHFFFAOYSA-N 1 1 469.564 4.702 20 0 JJADMO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(-c4ccccn4)nc4ccccc42)CC3)cc1 ZINC001164669842 719520821 /nfs/dbraw/zinc/52/08/21/719520821.db2.gz AGQYDPJHHQMMHH-UHFFFAOYSA-N 1 1 469.564 4.702 20 0 JJADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(-c3cccnc3)nc3scc(-c4ccccc4)c31)CC2 ZINC001164689335 719738716 /nfs/dbraw/zinc/73/87/16/719738716.db2.gz BIUTZOUTGLVHSN-UHFFFAOYSA-N 1 1 498.656 4.601 20 0 JJADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2nc(Cl)cc(N4CCCC4)n2)CC3)cs1 ZINC001164691843 719805187 /nfs/dbraw/zinc/80/51/87/719805187.db2.gz KUUMZQHMZFETSB-UHFFFAOYSA-N 1 1 483.032 4.675 20 0 JJADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2nc(Cl)cc(N4CCCC4)n2)CC3)cs1 ZINC001164691843 719805188 /nfs/dbraw/zinc/80/51/88/719805188.db2.gz KUUMZQHMZFETSB-UHFFFAOYSA-N 1 1 483.032 4.675 20 0 JJADMO COc1cccc(Oc2cncc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)n2)c1 ZINC001164691618 719811859 /nfs/dbraw/zinc/81/18/59/719811859.db2.gz INGHZAYSGQRLNL-UHFFFAOYSA-N 1 1 451.596 4.677 20 0 JJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncnc4oc(-c5ccc(C)cc5)nc42)CC3)cs1 ZINC001164691317 719814089 /nfs/dbraw/zinc/81/40/89/719814089.db2.gz FWODHYKNLCGLLT-UHFFFAOYSA-N 1 1 460.607 4.993 20 0 JJADMO CSc1ccc(C(F)(F)N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1Cl ZINC001164696645 719894731 /nfs/dbraw/zinc/89/47/31/719894731.db2.gz GMAGMOLUFGGFAS-UHFFFAOYSA-N 1 1 460.015 4.935 20 0 JJADMO CSc1cnc(Cl)c(C(F)(F)N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164698237 719896743 /nfs/dbraw/zinc/89/67/43/719896743.db2.gz QBZJPKCTKLLJSB-UHFFFAOYSA-N 1 1 460.015 4.935 20 0 JJADMO c1csc(C[N@H+]2CCOC3(CCN(c4nc(-c5ccccn5)nc5sccc54)CC3)C2)c1 ZINC001164707568 719903509 /nfs/dbraw/zinc/90/35/09/719903509.db2.gz UJTKCQIZQWIJMS-UHFFFAOYSA-N 1 1 463.632 4.686 20 0 JJADMO CC(C)(C)OC(=O)c1cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(Cl)c1 ZINC001164707084 719903677 /nfs/dbraw/zinc/90/36/77/719903677.db2.gz NEMPABNBGFOUSQ-UHFFFAOYSA-N 1 1 464.031 4.623 20 0 JJADMO COc1ccc(Oc2cc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nc(C)n2)cc1 ZINC001164705923 719904136 /nfs/dbraw/zinc/90/41/36/719904136.db2.gz FWTLOHLMOQHBTE-UHFFFAOYSA-N 1 1 466.607 4.519 20 0 JJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3nc(C(=O)Nc4cccc(OC)c4)sc3CC2)nc1 ZINC001164715023 720088939 /nfs/dbraw/zinc/08/89/39/720088939.db2.gz XYYDNPZLZLQBEZ-HSZRJFAPSA-N 1 1 491.661 4.951 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)C2 ZINC001164815836 720093790 /nfs/dbraw/zinc/09/37/90/720093790.db2.gz ZZOPADVQWHJJQG-REWPJTCUSA-N 1 1 462.972 4.527 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccc(OC)cc3)nc3ccc(F)cc31)C2 ZINC001164809760 720093869 /nfs/dbraw/zinc/09/38/69/720093869.db2.gz JYKNMLMYRRDXDZ-RBTNQOKQSA-N 1 1 476.596 4.629 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)C2 ZINC001164806710 720101408 /nfs/dbraw/zinc/10/14/08/720101408.db2.gz DAZPDCKURDNZPT-HRAATJIYSA-N 1 1 471.379 4.666 20 0 JJADMO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)CC2 ZINC001164719496 720108618 /nfs/dbraw/zinc/10/86/18/720108618.db2.gz XNIGZZRYXSOAAF-MUUNZHRXSA-N 1 1 497.687 4.542 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)CC2 ZINC001164719496 720108621 /nfs/dbraw/zinc/10/86/21/720108621.db2.gz XNIGZZRYXSOAAF-MUUNZHRXSA-N 1 1 497.687 4.542 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc(Cc3ccccc3)n1)CC2 ZINC001164715589 720112347 /nfs/dbraw/zinc/11/23/47/720112347.db2.gz IFXCOIQWPFEISU-HSZRJFAPSA-N 1 1 478.040 4.623 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c(Cl)cccc31)CC2 ZINC001164715513 720114017 /nfs/dbraw/zinc/11/40/17/720114017.db2.gz GSWVRYLFMSUESZ-SFHVURJKSA-N 1 1 472.420 4.839 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(-c3c[nH]c4ccccc34)n1)CC2 ZINC001164714262 720116388 /nfs/dbraw/zinc/11/63/88/720116388.db2.gz BGGIEWRSWRCXKM-QFIPXVFZSA-N 1 1 468.605 4.527 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3cc(Cl)ccc31)CC2 ZINC001164719545 720117850 /nfs/dbraw/zinc/11/78/50/720117850.db2.gz YUFVDTODHBDHQQ-IBGZPJMESA-N 1 1 472.420 4.839 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3cc(OC)ccc31)CC2 ZINC001164716927 720118152 /nfs/dbraw/zinc/11/81/52/720118152.db2.gz LQDXFQWGQRQZBB-HXUWFJFHSA-N 1 1 467.013 4.799 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(OC)c3ccc(Cl)cc31)CC2 ZINC001164719568 720118243 /nfs/dbraw/zinc/11/82/43/720118243.db2.gz ZCLPOGIQDMGXEO-NRFANRHFSA-N 1 1 467.013 4.799 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc3cnc(Cl)nc3c1)CC2 ZINC001164717366 720126527 /nfs/dbraw/zinc/12/65/27/720126527.db2.gz NRTGQYNHOJPCAD-NRFANRHFSA-N 1 1 487.982 4.731 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C(C)(C)C)nc(C(C)(C)C)n1)CC2 ZINC001164711760 720138325 /nfs/dbraw/zinc/13/83/25/720138325.db2.gz JUYQEQLRPFSJEL-JOCHJYFZSA-N 1 1 465.686 4.974 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C(C)(C)C)nc(C(C)C)n1)CC2 ZINC001164713571 720148301 /nfs/dbraw/zinc/14/83/01/720148301.db2.gz SDMAMJPABRNFIY-JOCHJYFZSA-N 1 1 451.659 4.800 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(-c3ccc(Cl)nn3)ccc1F)CC2 ZINC001164713085 720148709 /nfs/dbraw/zinc/14/87/09/720148709.db2.gz QMLGRIQNOHJOIK-NRFANRHFSA-N 1 1 482.003 4.839 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3scc(-c4ccc(F)cc4)c31)C2 ZINC001164814261 720161687 /nfs/dbraw/zinc/16/16/87/720161687.db2.gz FIEBEFHKHPIDII-KBMIEXCESA-N 1 1 452.599 4.682 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)C2 ZINC001164817747 720173156 /nfs/dbraw/zinc/17/31/56/720173156.db2.gz QEAIQFYCTADJFH-HRAATJIYSA-N 1 1 469.001 4.588 20 0 JJADMO COCc1nc2scc(-c3ccccc3)c2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)n1 ZINC001164812427 720184231 /nfs/dbraw/zinc/18/42/31/720184231.db2.gz ANYPVHXUQYAJHE-KDYSTLNUSA-N 1 1 478.662 4.689 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc(-c3ccc(F)c(Cl)c3)n1)C2 ZINC001164813663 720193643 /nfs/dbraw/zinc/19/36/43/720193643.db2.gz DDRXPYMBELTDDR-SBUREZEXSA-N 1 1 465.400 4.774 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1cccc(Cl)c1)C2 ZINC001164810752 720198204 /nfs/dbraw/zinc/19/82/04/720198204.db2.gz CNAOYXDFWDTQKN-GAJHUEQPSA-N 1 1 463.409 4.760 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3ccccc3OC)nnc1Cl)C2 ZINC001164814620 720203047 /nfs/dbraw/zinc/20/30/47/720203047.db2.gz VLJSKRQWZNGKHM-KOSHJBKYSA-N 1 1 492.998 4.535 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3ccccc3OC)nnc1Cl)C2 ZINC001164814619 720203714 /nfs/dbraw/zinc/20/37/14/720203714.db2.gz VLJSKRQWZNGKHM-HOYKHHGWSA-N 1 1 492.998 4.535 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)C2 ZINC001164811708 720204588 /nfs/dbraw/zinc/20/45/88/720204588.db2.gz JVQLBBOWCGMFLR-FDDCHVKYSA-N 1 1 480.962 4.666 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)C2 ZINC001164810322 720205241 /nfs/dbraw/zinc/20/52/41/720205241.db2.gz CBRRUDYELJCJBR-PGRDOPGGSA-N 1 1 451.945 4.725 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)C2 ZINC001164810320 720205697 /nfs/dbraw/zinc/20/56/97/720205697.db2.gz CBRRUDYELJCJBR-AVRDEDQJSA-N 1 1 451.945 4.725 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H]2CCC(=O)N3Cc2csc(C)n2)nc1 ZINC001164815781 720259313 /nfs/dbraw/zinc/25/93/13/720259313.db2.gz FBPJJJBTHDTFSN-XPWALMASSA-N 1 1 453.656 4.553 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H]2CCC(=O)N3Cc2csc(C)n2)nc1 ZINC001164815779 720259420 /nfs/dbraw/zinc/25/94/20/720259420.db2.gz FBPJJJBTHDTFSN-VJBWXMMDSA-N 1 1 453.656 4.553 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC[C@@]4(CCN(CC5CC5)C4=O)C3)c2c1C ZINC001164821211 720281089 /nfs/dbraw/zinc/28/10/89/720281089.db2.gz ZDFJCYCDEFXGTP-AREMUKBSSA-N 1 1 467.683 4.523 20 0 JJADMO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)n2)cc1 ZINC001164725612 720359055 /nfs/dbraw/zinc/35/90/55/720359055.db2.gz OKGRWNQHSOGERA-DQEYMECFSA-N 1 1 455.537 4.693 20 0 JJADMO Cc1nc(CO[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)[C@H]3CCCO[C@H]23)cs1 ZINC001164825016 720391153 /nfs/dbraw/zinc/39/11/53/720391153.db2.gz TVFYKIVICDEACB-MZKRTTBSSA-N 1 1 499.706 4.622 20 0 JJADMO Cc1nc(CO[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)[C@@H]3CCCO[C@H]23)cs1 ZINC001164825023 720391250 /nfs/dbraw/zinc/39/12/50/720391250.db2.gz TVFYKIVICDEACB-VIZSFHNOSA-N 1 1 499.706 4.622 20 0 JJADMO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164729787 720392234 /nfs/dbraw/zinc/39/22/34/720392234.db2.gz WKMWJUQPGSGZCK-DLBZAZTESA-N 1 1 450.320 4.730 20 0 JJADMO Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3c3nc(C[NH+](C)C)nc4scc(-c5ccccc5)c43)O2)n1 ZINC001164828741 720409697 /nfs/dbraw/zinc/40/96/97/720409697.db2.gz KRAFZYNMQQUPIJ-ZCNNSNEGSA-N 1 1 476.606 4.610 20 0 JJADMO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)cc1 ZINC001164735966 720423182 /nfs/dbraw/zinc/42/31/82/720423182.db2.gz ZZEKWYWRSCXFPW-YADHBBJMSA-N 1 1 498.961 4.982 20 0 JJADMO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001164735966 720423195 /nfs/dbraw/zinc/42/31/95/720423195.db2.gz ZZEKWYWRSCXFPW-YADHBBJMSA-N 1 1 498.961 4.982 20 0 JJADMO c1cncc(C[N@H+]2CC[C@H]3[C@@H]2CCN3c2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)c1 ZINC001164730925 720433866 /nfs/dbraw/zinc/43/38/66/720433866.db2.gz JUBFXCZRUVUPTN-VXKWHMMOSA-N 1 1 468.630 4.880 20 0 JJADMO COCc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164735949 720459385 /nfs/dbraw/zinc/45/93/85/720459385.db2.gz ZTZXVCDRDUOJOL-VXKWHMMOSA-N 1 1 457.603 4.753 20 0 JJADMO Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731787 720480669 /nfs/dbraw/zinc/48/06/69/720480669.db2.gz XTTBFOCYGRBOOD-FCHUYYIVSA-N 1 1 469.980 4.502 20 0 JJADMO Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164731787 720480683 /nfs/dbraw/zinc/48/06/83/720480683.db2.gz XTTBFOCYGRBOOD-FCHUYYIVSA-N 1 1 469.980 4.502 20 0 JJADMO Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164726394 720484984 /nfs/dbraw/zinc/48/49/84/720484984.db2.gz LUUGHQBYEQDOPV-YADHBBJMSA-N 1 1 455.940 4.899 20 0 JJADMO Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164726394 720484986 /nfs/dbraw/zinc/48/49/86/720484986.db2.gz LUUGHQBYEQDOPV-YADHBBJMSA-N 1 1 455.940 4.899 20 0 JJADMO COc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164727535 720485650 /nfs/dbraw/zinc/48/56/50/720485650.db2.gz NIXZLEGETJOLTG-YADHBBJMSA-N 1 1 471.939 4.599 20 0 JJADMO COc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164727535 720485662 /nfs/dbraw/zinc/48/56/62/720485662.db2.gz NIXZLEGETJOLTG-YADHBBJMSA-N 1 1 471.939 4.599 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842037 720538815 /nfs/dbraw/zinc/53/88/15/720538815.db2.gz WEOHCJJCKQGOSY-OXFYSEKESA-N 1 1 478.950 4.542 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(C(=O)Nc4ccc(Cl)nc4)ccc3F)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834224 720544801 /nfs/dbraw/zinc/54/48/01/720544801.db2.gz CWTZEDLOPMRACB-IEIRFRATSA-N 1 1 497.018 4.701 20 0 JJADMO CSc1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1Cl ZINC001164837393 720557301 /nfs/dbraw/zinc/55/73/01/720557301.db2.gz MFSQJVHOWIFWGD-GVDBMIGSSA-N 1 1 456.006 4.576 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(-c4ccc(C5OCCCO5)cc4)cn3)CC[C@@H]21 ZINC001164842184 720583177 /nfs/dbraw/zinc/58/31/77/720583177.db2.gz UIIKYVRKWNMANW-PVHODMMVSA-N 1 1 487.648 4.758 20 0 JJADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164844215 720600914 /nfs/dbraw/zinc/60/09/14/720600914.db2.gz ZZLQGJYNGZIILE-NNMXDRDESA-N 1 1 482.028 4.639 20 0 JJADMO Cc1sc2nc(-c3cccnc3)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1C ZINC001164836144 720605557 /nfs/dbraw/zinc/60/55/57/720605557.db2.gz DVPPBORPQPWQJQ-YTFSRNRJSA-N 1 1 487.677 4.944 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(C(F)F)nc4ccc(Cl)cc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837331 720633170 /nfs/dbraw/zinc/63/31/70/720633170.db2.gz IAYFQNYOBHAZPR-OXFYSEKESA-N 1 1 460.960 4.795 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(C(F)F)nc4ccc(Cl)cc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837333 720634585 /nfs/dbraw/zinc/63/45/85/720634585.db2.gz IAYFQNYOBHAZPR-RIFZZMRRSA-N 1 1 460.960 4.795 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cnc(Cl)nc3Oc3ccccc3F)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839251 720640118 /nfs/dbraw/zinc/64/01/18/720640118.db2.gz MWGXDSXJKYLXOD-CMKODMSKSA-N 1 1 470.980 4.636 20 0 JJADMO CSc1nc(Cl)cc(C(F)(F)N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842646 720663887 /nfs/dbraw/zinc/66/38/87/720663887.db2.gz SXVPPPMUVNCWIK-KRWDZBQOSA-N 1 1 469.001 4.657 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(C(=O)N3CCCCC3)cc(Cl)n1)CC2 ZINC001164840549 720672599 /nfs/dbraw/zinc/67/25/99/720672599.db2.gz NJCAMHKTCKSDQV-QHCPKHFHSA-N 1 1 483.056 4.621 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc(-c3c[nH]c4ccccc34)n1)CC2 ZINC001164843827 720689672 /nfs/dbraw/zinc/68/96/72/720689672.db2.gz REVOBBWNIZGBII-JOCHJYFZSA-N 1 1 453.590 4.885 20 0 JJADMO CCOc1cc2ncnc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2cc1OCC ZINC001164841842 720690148 /nfs/dbraw/zinc/69/01/48/720690148.db2.gz JJQIJBVMFDHNQX-JOCHJYFZSA-N 1 1 476.621 4.687 20 0 JJADMO CCOC(=O)c1cc2ccccc2nc1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164844954 720701318 /nfs/dbraw/zinc/70/13/18/720701318.db2.gz WXVHWBXBPBGSPN-QHCPKHFHSA-N 1 1 459.590 4.671 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(-c3nc(C(C)(C)C)no3)ccn1)CC2 ZINC001164838208 720706684 /nfs/dbraw/zinc/70/66/84/720706684.db2.gz HMTVSIHMZHJNGZ-QFIPXVFZSA-N 1 1 461.610 4.689 20 0 JJADMO CC(C)n1ccc2c1nc(Cl)nc2N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840292 720708174 /nfs/dbraw/zinc/70/81/74/720708174.db2.gz OQRUEUODISCKOE-FQEVSTJZSA-N 1 1 454.018 4.926 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(-c3cccnc3)nc3ccccc31)CC2 ZINC001164839013 720711170 /nfs/dbraw/zinc/71/11/70/720711170.db2.gz KHBMYRJIYJUVEP-XMMPIXPASA-N 1 1 465.601 4.952 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(-c3ccc4c(c3)OCCCO4)nn1)CC2 ZINC001164836978 720717846 /nfs/dbraw/zinc/71/78/46/720717846.db2.gz CFWYIFYUJDFFBJ-XMMPIXPASA-N 1 1 486.616 4.565 20 0 JJADMO CCOc1ccc(-c2ccc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nn2)cc1 ZINC001164840910 720719266 /nfs/dbraw/zinc/71/92/66/720719266.db2.gz SIIBOCPFLABCPB-DEOSSOPVSA-N 1 1 458.606 4.802 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1nc(-c3ccc(Cl)nc3)no1)CC2 ZINC001164838395 720723360 /nfs/dbraw/zinc/72/33/60/720723360.db2.gz IXWMSWCAUSYGJM-IBGZPJMESA-N 1 1 489.954 4.590 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cncc(OCc3cccc(Cl)c3)n1)CC2 ZINC001164837658 720725928 /nfs/dbraw/zinc/72/59/28/720725928.db2.gz FWZZPSPWTIGSQZ-XMMPIXPASA-N 1 1 479.024 4.969 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4[C@@H]3CCC(=O)N4c3ccccc3)c2c1C ZINC001164848483 720766459 /nfs/dbraw/zinc/76/64/59/720766459.db2.gz PWRQMPXEJONPHE-LEWJYISDSA-N 1 1 461.635 4.678 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@H]2CCC(=O)N3c2ccccc2)n1 ZINC001164843726 720766559 /nfs/dbraw/zinc/76/65/59/720766559.db2.gz AKMHRVSGMZKZFI-RTWAWAEBSA-N 1 1 463.651 4.924 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@@H]32)n1 ZINC001164848947 720776669 /nfs/dbraw/zinc/77/66/69/720776669.db2.gz RIGCCCSSLFTIDT-VJBWXMMDSA-N 1 1 495.693 4.888 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@H]32)nc1 ZINC001164844347 720779828 /nfs/dbraw/zinc/77/98/28/720779828.db2.gz BMTJOBIMMMYBMY-QUMGSSFMSA-N 1 1 450.627 4.757 20 0 JJADMO Clc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745138 720821990 /nfs/dbraw/zinc/82/19/90/720821990.db2.gz WPWFTVWSKLVHGO-DJPFJPOOSA-N 1 1 457.409 4.513 20 0 JJADMO c1ncn(C[C@@H]2C[C@@H]3CN(c4cnc(-c5ccccc5)c(-c5ccccc5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164737703 720826847 /nfs/dbraw/zinc/82/68/47/720826847.db2.gz CDRAZVYFMXSGIM-KWXIBIRDSA-N 1 1 491.643 4.782 20 0 JJADMO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)cc1 ZINC001164745159 720836729 /nfs/dbraw/zinc/83/67/29/720836729.db2.gz MAELMRLXHVLCPK-FKCDAAJZSA-N 1 1 479.632 4.576 20 0 JJADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748289 720837210 /nfs/dbraw/zinc/83/72/10/720837210.db2.gz SXCUKBITBKPMLH-ABSDTBQOSA-N 1 1 487.435 4.521 20 0 JJADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748304 720837267 /nfs/dbraw/zinc/83/72/67/720837267.db2.gz SXCUKBITBKPMLH-SQGPQFPESA-N 1 1 487.435 4.521 20 0 JJADMO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742474 720844998 /nfs/dbraw/zinc/84/49/98/720844998.db2.gz GQJUUSSFIWCYPU-GRDNDAEWSA-N 1 1 491.801 4.558 20 0 JJADMO c1ncn(C[C@@H]2C[C@H]3CN(c4cc(-c5ccccc5)c5ccccc5n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164746551 720845802 /nfs/dbraw/zinc/84/58/02/720845802.db2.gz OLKGYZHPMKCIAN-IBGGVINMSA-N 1 1 464.617 4.873 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c3ccccc32)cc1 ZINC001164750274 720845940 /nfs/dbraw/zinc/84/59/40/720845940.db2.gz WYSCEFBHGBUKPJ-CLCZQPDDSA-N 1 1 479.632 4.576 20 0 JJADMO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)s1 ZINC001164740568 720850717 /nfs/dbraw/zinc/85/07/17/720850717.db2.gz CTOJXHHKDSTBHH-ZFGGDYGUSA-N 1 1 485.661 4.638 20 0 JJADMO c1csc(-c2nc(-c3ccccc3)cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)c1 ZINC001164753087 720851424 /nfs/dbraw/zinc/85/14/24/720851424.db2.gz WIGGRJSFVGZRIB-VDKIKQQVSA-N 1 1 497.672 4.843 20 0 JJADMO Clc1ccc2ccc(Cl)c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2n1 ZINC001164751134 720856687 /nfs/dbraw/zinc/85/66/87/720856687.db2.gz QHMGHXUVKQLJGW-QWFCFKBJSA-N 1 1 457.409 4.513 20 0 JJADMO Clc1ccc2ccc(Cl)c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2n1 ZINC001164751133 720856785 /nfs/dbraw/zinc/85/67/85/720856785.db2.gz QHMGHXUVKQLJGW-NLWGTHIKSA-N 1 1 457.409 4.513 20 0 JJADMO Clc1ccc(Cl)c2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ccc12 ZINC001164747145 720857021 /nfs/dbraw/zinc/85/70/21/720857021.db2.gz HZPWCMYHWILWHL-LLGFUMIMSA-N 1 1 457.409 4.513 20 0 JJADMO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164753058 720861717 /nfs/dbraw/zinc/86/17/17/720861717.db2.gz VSUICSNHJFEIMZ-SFYKDHMMSA-N 1 1 491.030 4.520 20 0 JJADMO Cc1nc([C@@H]2COCCN2c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)cs1 ZINC001164747610 720865332 /nfs/dbraw/zinc/86/53/32/720865332.db2.gz IGZPSNSLIVFODE-IBGZPJMESA-N 1 1 451.621 4.763 20 0 JJADMO Cc1cc(C(F)(F)N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc(Cl)n1 ZINC001164754318 720871592 /nfs/dbraw/zinc/87/15/92/720871592.db2.gz REEXZNFSPFAKHB-UPVQGACJSA-N 1 1 476.999 4.738 20 0 JJADMO Fc1c(Cl)nccc1C(F)(F)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752898 720872895 /nfs/dbraw/zinc/87/28/95/720872895.db2.gz NJMNZAIAMYYYSG-CVDCTZTESA-N 1 1 480.962 4.569 20 0 JJADMO COCC[N@H+]1CCO[C@H]2CN(c3nnc(-c4ccc(Cl)c(Cl)c4)c4ccccc43)CC[C@@H]2C1 ZINC001164863928 720882632 /nfs/dbraw/zinc/88/26/32/720882632.db2.gz UYOFKQAVFUDSKM-JPYJTQIMSA-N 1 1 487.431 4.777 20 0 JJADMO Cc1cccc2c1nc(Cl)nc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754432 720882825 /nfs/dbraw/zinc/88/28/25/720882825.db2.gz IWBTZJRZVZZSHZ-AMGIVPHBSA-N 1 1 478.040 4.742 20 0 JJADMO c1cn(C2CCCC2)c2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164757446 720893224 /nfs/dbraw/zinc/89/32/24/720893224.db2.gz USUYSICRRVVRTL-PWUYWRBVSA-N 1 1 486.664 4.697 20 0 JJADMO Cc1c(Cl)cnc(Cl)c1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749491 720903812 /nfs/dbraw/zinc/90/38/12/720903812.db2.gz AFOYLAGHJSNUHA-HYBUGGRVSA-N 1 1 461.437 4.847 20 0 JJADMO Cc1c(Cl)cnc(Cl)c1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749492 720904259 /nfs/dbraw/zinc/90/42/59/720904259.db2.gz AFOYLAGHJSNUHA-RDPSFJRHSA-N 1 1 461.437 4.847 20 0 JJADMO Cc1c[nH]c2nc(Cl)cc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164754663 720907043 /nfs/dbraw/zinc/90/70/43/720907043.db2.gz WWCJPVUVIFFCKJ-HFZDXXHNSA-N 1 1 466.029 4.675 20 0 JJADMO c1ccc(COc2cccnc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc1 ZINC001164752922 720909059 /nfs/dbraw/zinc/90/90/59/720909059.db2.gz PKCYUOLOBQFUOT-POURPWNDSA-N 1 1 484.644 4.811 20 0 JJADMO Clc1nc(Cl)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(C2CC2)n1 ZINC001164747801 720937053 /nfs/dbraw/zinc/93/70/53/720937053.db2.gz DJYMSTFMVZSMLJ-CJFMBICVSA-N 1 1 488.463 4.811 20 0 JJADMO COc1cc2c(cc1OCc1ccccc1)ncnc2N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164863245 720937315 /nfs/dbraw/zinc/93/73/15/720937315.db2.gz ZBEQYGOQCBMDIT-HXUWFJFHSA-N 1 1 486.620 4.835 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3Cc4cncn4C[C@H](COCC4CC4)C3)c2c1C ZINC001164758126 720979402 /nfs/dbraw/zinc/97/94/02/720979402.db2.gz UCLDTNHJXYZCIL-OAQYLSRUSA-N 1 1 480.682 4.554 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(-c3ccc(C4OCCCO4)cc3)cn1)[C@@H]2C ZINC001164859763 720991639 /nfs/dbraw/zinc/99/16/39/720991639.db2.gz MLMINDRSOZDSDU-HXUWFJFHSA-N 1 1 461.610 4.802 20 0 JJADMO COc1ccc(-c2csc3ncnc(N4CCn5c(C[N@@H+](C)C(C)C)cnc5[C@@H]4C)c23)cc1 ZINC001164857200 721001113 /nfs/dbraw/zinc/00/11/13/721001113.db2.gz DAJLDYFQJLJIEZ-KRWDZBQOSA-N 1 1 462.623 4.985 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN([C@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)[C@@H]2C ZINC001164857991 721011176 /nfs/dbraw/zinc/01/11/76/721011176.db2.gz FAOZISCAFVTUJE-MWTRTKDXSA-N 1 1 458.969 4.542 20 0 JJADMO Cc1nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164861547 721016406 /nfs/dbraw/zinc/01/64/06/721016406.db2.gz OVDMEWAHJTVVHE-LJQANCHMSA-N 1 1 453.034 4.956 20 0 JJADMO COc1ccccc1-c1cc(C(F)(F)N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c(Cl)nn1 ZINC001164858074 721022920 /nfs/dbraw/zinc/02/29/20/721022920.db2.gz FUERKONETWODGR-MRXNPFEDSA-N 1 1 490.986 4.968 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)nc1 ZINC001164759846 721031859 /nfs/dbraw/zinc/03/18/59/721031859.db2.gz AEKAXTFDPCABKP-WEWMWRJBSA-N 1 1 450.627 4.758 20 0 JJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3c(nnn3CC)[C@H]2COCc2ccccc2)nc1 ZINC001164771573 721049081 /nfs/dbraw/zinc/04/90/81/721049081.db2.gz MVQSJFKHRRZHCM-AZGAKELHSA-N 1 1 474.653 4.951 20 0 JJADMO Clc1ccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164865682 721084516 /nfs/dbraw/zinc/08/45/16/721084516.db2.gz OGZMMXVLZGBRNW-DHIUTWEWSA-N 1 1 471.992 4.825 20 0 JJADMO Clc1ccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164865685 721084570 /nfs/dbraw/zinc/08/45/70/721084570.db2.gz OGZMMXVLZGBRNW-XZOQPEGZSA-N 1 1 471.992 4.825 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccc(-c5ccnc(Cl)c5)cc4)C[C@H]3C2)cn1 ZINC001164769466 721097037 /nfs/dbraw/zinc/09/70/37/721097037.db2.gz ORECQLRQYWQGEV-NHCUHLMSSA-N 1 1 457.956 4.639 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5ccccc5F)nc5ccc(Cl)cc54)C[C@H]3C2)cn1 ZINC001164767427 721100209 /nfs/dbraw/zinc/10/02/09/721100209.db2.gz LSCFQPVYOZCCCR-RTBURBONSA-N 1 1 476.987 4.781 20 0 JJADMO Fc1ccc(-c2nc3cc(Cl)ccc3c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164864415 721102548 /nfs/dbraw/zinc/10/25/48/721102548.db2.gz FVFHNASMSNZBOB-DHIUTWEWSA-N 1 1 489.982 4.964 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc(-c5ccc(-c6ccccc6)cc5)n4)C[C@@H]3C2)cn1 ZINC001164772788 721134825 /nfs/dbraw/zinc/13/48/25/721134825.db2.gz WXWGCZJSDGVWNQ-RPWUZVMVSA-N 1 1 486.023 4.551 20 0 JJADMO COc1ccc(-c2nc3ccc(Cl)cc3c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)cc1 ZINC001164762130 721153901 /nfs/dbraw/zinc/15/39/01/721153901.db2.gz CCATUTNQZIATPZ-LEWJYISDSA-N 1 1 489.023 4.651 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc5cc(OCc6ccccc6)ccc5n4)C[C@H]3C2)cn1 ZINC001164769073 721155009 /nfs/dbraw/zinc/15/50/09/721155009.db2.gz PHYMBTHHVFFANH-JWQCQUIFSA-N 1 1 453.590 4.506 20 0 JJADMO Cc1ccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)s1 ZINC001164871481 721159736 /nfs/dbraw/zinc/15/97/36/721159736.db2.gz DWVFHNFGHQGSHN-LEWJYISDSA-N 1 1 457.603 4.541 20 0 JJADMO c1csc(-c2nc(-c3ccccc3)cc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)c1 ZINC001164873622 721160469 /nfs/dbraw/zinc/16/04/69/721160469.db2.gz JHKRMRLWRATGSI-XZOQPEGZSA-N 1 1 469.614 4.747 20 0 JJADMO c1csc(-c2nc(-c3ccccc3)cc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)c1 ZINC001164873621 721161013 /nfs/dbraw/zinc/16/10/13/721161013.db2.gz JHKRMRLWRATGSI-PKTZIBPZSA-N 1 1 469.614 4.747 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(-c5ccc(Cl)nc5)ccc4C4OCCCO4)C[C@H]3C2)cn1 ZINC001164774417 721179592 /nfs/dbraw/zinc/17/95/92/721179592.db2.gz YZXVLQWLHGPQFB-XZOQPEGZSA-N 1 1 494.039 4.529 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(C5CC5)nc5scc(-c6ccccc6)c54)C[C@@H]3C2)cn1 ZINC001164763267 721217666 /nfs/dbraw/zinc/21/76/66/721217666.db2.gz FBKLSJTUVXMNJQ-VXKWHMMOSA-N 1 1 470.646 4.928 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](COC)N(C(=O)c4cccn4C)C3)CC2)nc1 ZINC001164869152 721225058 /nfs/dbraw/zinc/22/50/58/721225058.db2.gz CGETZPHOVWWIJS-LOSJGSFVSA-N 1 1 493.696 4.505 20 0 JJADMO O=C(NC[C@@H]1CCC[C@]2(CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C2)O1)c1ccccc1 ZINC001164874155 721255983 /nfs/dbraw/zinc/25/59/83/721255983.db2.gz JHEKYKQPTHYERN-JTSJOTPCSA-N 1 1 496.655 4.588 20 0 JJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)nc1 ZINC001164879782 721259830 /nfs/dbraw/zinc/25/98/30/721259830.db2.gz YXPVPXKZOPTIBC-INNMJMHTSA-N 1 1 462.638 4.577 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)n1 ZINC001164878333 721318341 /nfs/dbraw/zinc/31/83/41/721318341.db2.gz NJBNTLWGIMRIKD-NRFANRHFSA-N 1 1 477.678 4.650 20 0 JJADMO Cc1cccc(N(c2ccc3c(n2)CCN(Cc2ccccc2)C3)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164777412 721329898 /nfs/dbraw/zinc/32/98/98/721329898.db2.gz MZTLFIAWPOVMNI-UHSQPCAPSA-N 1 1 454.618 4.607 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3ccnn3C[C@@H](COCc3csc(C)n3)C2)nc1 ZINC001164876314 721332363 /nfs/dbraw/zinc/33/23/63/721332363.db2.gz NYGKOXSREBHISU-SQJMNOBHSA-N 1 1 480.682 4.833 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc4cc(F)ccc43)C2)C1 ZINC001164777767 721332320 /nfs/dbraw/zinc/33/23/20/721332320.db2.gz QKVDBFMOTLMSPV-XMMPIXPASA-N 1 1 458.965 4.751 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3c(Cl)cc(Cl)nc3Cl)C2)C1 ZINC001164776841 721341593 /nfs/dbraw/zinc/34/15/93/721341593.db2.gz DEWTVPUEGWGMIQ-HXUWFJFHSA-N 1 1 459.805 4.766 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3c(Cl)cc(Cl)nc3Cl)C2)C1 ZINC001164776841 721341601 /nfs/dbraw/zinc/34/16/01/721341601.db2.gz DEWTVPUEGWGMIQ-HXUWFJFHSA-N 1 1 459.805 4.766 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc4nc(Cl)cnc4cc3Cl)C2)C1 ZINC001164779044 721347791 /nfs/dbraw/zinc/34/77/91/721347791.db2.gz PMPZDKXHFUDAMC-HSZRJFAPSA-N 1 1 476.408 4.660 20 0 JJADMO COc1ccc2c(c1)nc(Cl)cc2N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164778808 721349541 /nfs/dbraw/zinc/34/95/41/721349541.db2.gz OTHVOQKFGSDMGM-RUZDIDTESA-N 1 1 471.001 4.621 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nnc3-c3ccccc3)C2)C1 ZINC001164779688 721350613 /nfs/dbraw/zinc/35/06/13/721350613.db2.gz UWASQMAYXUZQMD-RUZDIDTESA-N 1 1 468.001 4.521 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4ccccc4Cl)nn3)C2)C1 ZINC001164787750 721357641 /nfs/dbraw/zinc/35/76/41/721357641.db2.gz ZTIYWYWWTPQFGT-VWLOTQADSA-N 1 1 468.001 4.521 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4ccccc4Cl)nn3)C2)C1 ZINC001164787750 721357645 /nfs/dbraw/zinc/35/76/45/721357645.db2.gz ZTIYWYWWTPQFGT-VWLOTQADSA-N 1 1 468.001 4.521 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(C)c4ccc(Cl)cc4n3)C2)C1 ZINC001164784310 721357702 /nfs/dbraw/zinc/35/77/02/721357702.db2.gz RGYBWJRKPPOQHW-RUZDIDTESA-N 1 1 455.002 4.920 20 0 JJADMO COc1ccc2c(cc(Cl)nc2N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1 ZINC001164780691 721358898 /nfs/dbraw/zinc/35/88/98/721358898.db2.gz GOAJBLVUEIPKDU-RUZDIDTESA-N 1 1 471.001 4.621 20 0 JJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3[C@@H]2CC(=O)N3c2ccsc2)n1 ZINC001164882571 721359309 /nfs/dbraw/zinc/35/93/09/721359309.db2.gz JSRWBZSOOJQWJS-UXHICEINSA-N 1 1 475.643 4.866 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4cc(Cl)c(Cl)cc43)C2)C1 ZINC001164782289 721360783 /nfs/dbraw/zinc/36/07/83/721360783.db2.gz MIMURAWOGPKKKJ-HSZRJFAPSA-N 1 1 476.408 4.660 20 0 JJADMO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)nc1 ZINC001164785321 721373131 /nfs/dbraw/zinc/37/31/31/721373131.db2.gz RBZKOJGFYSIZKZ-IAPPQJPRSA-N 1 1 481.685 4.742 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)nc1 ZINC001164785321 721373136 /nfs/dbraw/zinc/37/31/36/721373136.db2.gz RBZKOJGFYSIZKZ-IAPPQJPRSA-N 1 1 481.685 4.742 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nccc4cc(F)c(Cl)cc43)C2)C1 ZINC001164784268 721373551 /nfs/dbraw/zinc/37/35/51/721373551.db2.gz RCNVMBIMSVTIHF-XMMPIXPASA-N 1 1 458.965 4.751 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc4cccc(C)c43)C2)C1 ZINC001164786991 721374087 /nfs/dbraw/zinc/37/40/87/721374087.db2.gz WNWNWHQAWRMAHM-VWLOTQADSA-N 1 1 455.002 4.920 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(-c5ccnc(Cl)c5)cc4)C3)O2)CC1 ZINC001164890500 721396246 /nfs/dbraw/zinc/39/62/46/721396246.db2.gz NQTPZXGHEBGFCX-ZCYQVOJMSA-N 1 1 491.026 4.712 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(-c5ccccc5)cc(-c5ccccc5)n4)C3)O2)CC1 ZINC001164886789 721398296 /nfs/dbraw/zinc/39/82/96/721398296.db2.gz GIBPXZDIGQBJBJ-FREGXXQWSA-N 1 1 483.660 4.576 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5ccc(Cl)cc5)nc5ccccc54)C3)O2)CC1 ZINC001164892465 721409472 /nfs/dbraw/zinc/40/94/72/721409472.db2.gz YJBMYLCWTJJNJK-FIPFOOKPSA-N 1 1 492.067 4.716 20 0 JJADMO Cc1nc2c(cc(-c3nc(N4C[C@H]5C[NH+](Cc6nccs6)C[C@@H]5C4)ncc3F)cc2F)n1C(C)C ZINC001164790974 721410776 /nfs/dbraw/zinc/41/07/76/721410776.db2.gz YRJPKMSFZBOLHE-QZTJIDSGSA-N 1 1 495.603 4.686 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(-c5ccccc5)nc5cc(Cl)ccc54)C3)O2)CC1 ZINC001164887711 721419911 /nfs/dbraw/zinc/41/99/11/721419911.db2.gz MNVBXRNOPHPDDI-LXFBAYGMSA-N 1 1 492.067 4.716 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(-c5ccccc5)nc5cc(Cl)ccc54)C3)O2)CC1 ZINC001164887712 721419987 /nfs/dbraw/zinc/41/99/87/721419987.db2.gz MNVBXRNOPHPDDI-NEKDWFFYSA-N 1 1 492.067 4.716 20 0 JJADMO c1csc(C[NH+]2C[C@H]3CN(c4nc(CN5CCCCC5)nc5sc6c(c54)CCCC6)C[C@@H]3C2)n1 ZINC001164784379 721426564 /nfs/dbraw/zinc/42/65/64/721426564.db2.gz LJAHALMZNSDULQ-OALUTQOASA-N 1 1 494.734 4.581 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(-c5ccc(C6CCCCC6)cc5)nn4)C3)O2)CC1 ZINC001164892319 721443917 /nfs/dbraw/zinc/44/39/17/721443917.db2.gz ICXLXXBFDVFPSR-POURPWNDSA-N 1 1 489.708 4.957 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(-c5ccc(Oc6ccccc6)cc5)nn4)C3)O2)CC1 ZINC001164898708 721444357 /nfs/dbraw/zinc/44/43/57/721444357.db2.gz WPFDZLONRIQFBS-BHBYDHKZSA-N 1 1 499.659 4.701 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1c(Cl)cc(Cl)nc1Cl)CC2 ZINC001164783654 721454632 /nfs/dbraw/zinc/45/46/32/721454632.db2.gz CNUOTLPMRQTZBT-INIZCTEOSA-N 1 1 462.849 4.776 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(-c3cccc(Cl)n3)n1)CC2 ZINC001164785706 721460065 /nfs/dbraw/zinc/46/00/65/721460065.db2.gz MXJNDUDHBZBANZ-OAQYLSRUSA-N 1 1 471.045 4.531 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)ncc1-c1ccccc1)CC2 ZINC001164785728 721460250 /nfs/dbraw/zinc/46/02/50/721460250.db2.gz NERJVFGOUDLDMN-JOCHJYFZSA-N 1 1 471.045 4.531 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(SC)cnc1Cl)CC2 ZINC001164787908 721464948 /nfs/dbraw/zinc/46/49/48/721464948.db2.gz SWEWVKGAYNPGCJ-GOSISDBHSA-N 1 1 490.060 4.736 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)CC2 ZINC001164789883 721473877 /nfs/dbraw/zinc/47/38/77/721473877.db2.gz OYKBXFSEJCBWDS-OAQYLSRUSA-N 1 1 484.031 4.589 20 0 JJADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](NC(=O)NC)c4cc(C)ccc43)CC2)nc1 ZINC001164900936 721492984 /nfs/dbraw/zinc/49/29/84/721492984.db2.gz SPWSRZSYPKUZSK-DQEYMECFSA-N 1 1 461.654 4.849 20 0 JJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(NC(=O)OC(C)(C)C)c3nc[nH]c31)CC2 ZINC001164795020 721499589 /nfs/dbraw/zinc/49/95/89/721499589.db2.gz AOJDWNGEHZRVCE-UHFFFAOYSA-N 1 1 477.613 4.581 20 0 JJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncccc1C(=O)N1CCc3ccccc31)CC2 ZINC001164795009 721500443 /nfs/dbraw/zinc/50/04/43/721500443.db2.gz AITFUKUZXPWXKJ-UHFFFAOYSA-N 1 1 467.617 4.561 20 0 JJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(C(=O)NC3CCCC3)cc1Cl)CC2 ZINC001164795705 721500800 /nfs/dbraw/zinc/50/08/00/721500800.db2.gz JTOXRRAEVUPJCM-UHFFFAOYSA-N 1 1 468.045 4.683 20 0 JJADMO COc1ccc(Oc2cc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)nc(C)n2)cc1 ZINC001164797000 721502916 /nfs/dbraw/zinc/50/29/16/721502916.db2.gz WLSMMHCWFXWAST-UHFFFAOYSA-N 1 1 459.594 4.862 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4ccccc4)c32)[C@H]2CCCO[C@@H]12 ZINC001164799938 721540638 /nfs/dbraw/zinc/54/06/38/721540638.db2.gz CFJPXNLZBPXUGH-WMTXJRDZSA-N 1 1 457.603 4.622 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4ccccc4)c32)[C@H]2CCCO[C@@H]12 ZINC001164799938 721540640 /nfs/dbraw/zinc/54/06/40/721540640.db2.gz CFJPXNLZBPXUGH-WMTXJRDZSA-N 1 1 457.603 4.622 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccc3F)nc3ccc(F)cc32)[C@H]2CCCO[C@@H]12 ZINC001164805151 721541676 /nfs/dbraw/zinc/54/16/76/721541676.db2.gz KZMIOEDNYQNHMN-JIMJEQGWSA-N 1 1 487.554 4.838 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccc3F)nc3ccc(F)cc32)[C@H]2CCCO[C@@H]12 ZINC001164805151 721541680 /nfs/dbraw/zinc/54/16/80/721541680.db2.gz KZMIOEDNYQNHMN-JIMJEQGWSA-N 1 1 487.554 4.838 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(-c3cc(Cl)ncn3)cc2)[C@H]2CCCO[C@@H]12 ZINC001164799862 721542549 /nfs/dbraw/zinc/54/25/49/721542549.db2.gz BJYIQTSKOLVULN-WMTXJRDZSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(-c3cc(Cl)ncn3)cc2)[C@H]2CCCO[C@@H]12 ZINC001164799862 721542553 /nfs/dbraw/zinc/54/25/53/721542553.db2.gz BJYIQTSKOLVULN-WMTXJRDZSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)[C@@H]2CCCO[C@@H]12 ZINC001164806103 721546053 /nfs/dbraw/zinc/54/60/53/721546053.db2.gz NUTKJHMNXMLVJP-VAMGGRTRSA-N 1 1 494.373 4.745 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)[C@@H]2CCCO[C@@H]12 ZINC001164806103 721546055 /nfs/dbraw/zinc/54/60/55/721546055.db2.gz NUTKJHMNXMLVJP-VAMGGRTRSA-N 1 1 494.373 4.745 20 0 JJADMO Cc1ccc(-c2csc3ncnc(N4C[C@H]([N@H+](C)Cc5cccnc5)[C@H]5OCCC[C@@H]54)c23)cc1 ZINC001164805210 721547525 /nfs/dbraw/zinc/54/75/25/721547525.db2.gz LFORTMZELKUYAP-LSQMVHIFSA-N 1 1 471.630 4.930 20 0 JJADMO Cc1ccc(-c2csc3ncnc(N4C[C@H]([N@@H+](C)Cc5cccnc5)[C@H]5OCCC[C@@H]54)c23)cc1 ZINC001164805210 721547530 /nfs/dbraw/zinc/54/75/30/721547530.db2.gz LFORTMZELKUYAP-LSQMVHIFSA-N 1 1 471.630 4.930 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(-c3ccccc3)n2)[C@H]2CCCO[C@@H]12 ZINC001164800297 721564574 /nfs/dbraw/zinc/56/45/74/721564574.db2.gz DQPDYSSOHBBHLC-MIZPHKNDSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(-c3ccccc3)n2)[C@H]2CCCO[C@@H]12 ZINC001164800297 721564580 /nfs/dbraw/zinc/56/45/80/721564580.db2.gz DQPDYSSOHBBHLC-MIZPHKNDSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3c(Cl)nccc32)[C@H]2CCCO[C@@H]12 ZINC001164809866 721568884 /nfs/dbraw/zinc/56/88/84/721568884.db2.gz XQAZFIIJVSISSU-BHDDXSALSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3c(Cl)nccc32)[C@H]2CCCO[C@@H]12 ZINC001164809866 721568887 /nfs/dbraw/zinc/56/88/87/721568887.db2.gz XQAZFIIJVSISSU-BHDDXSALSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)c(Cl)nc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164807995 721575276 /nfs/dbraw/zinc/57/52/76/721575276.db2.gz UHCFIKHUQCSBSH-GVDBMIGSSA-N 1 1 477.770 4.850 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)c(Cl)nc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164807995 721575277 /nfs/dbraw/zinc/57/52/77/721575277.db2.gz UHCFIKHUQCSBSH-GVDBMIGSSA-N 1 1 477.770 4.850 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccc(F)cc3)nc3ccccc32)[C@H]2CCCO[C@H]12 ZINC001164810788 721577472 /nfs/dbraw/zinc/57/74/72/721577472.db2.gz WEIVLNVKZTZMKV-NXCFDTQHSA-N 1 1 469.564 4.699 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(-c3cccs3)nnc2Cl)[C@@H]2CCCO[C@H]21 ZINC001164799262 721580093 /nfs/dbraw/zinc/58/00/93/721580093.db2.gz AFKSSLZHXKEGAP-SFHLNBCPSA-N 1 1 491.995 4.667 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(-c3cccs3)nnc2Cl)[C@@H]2CCCO[C@H]21 ZINC001164799262 721580096 /nfs/dbraw/zinc/58/00/96/721580096.db2.gz AFKSSLZHXKEGAP-SFHLNBCPSA-N 1 1 491.995 4.667 20 0 JJADMO Cc1ccc(-c2nc3ccccc3c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)n2)s1 ZINC001164810871 721582467 /nfs/dbraw/zinc/58/24/67/721582467.db2.gz WNFJITMEJMAMBJ-SONWIMMPSA-N 1 1 471.630 4.930 20 0 JJADMO Cc1ccc(-c2nc3ccccc3c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)n2)s1 ZINC001164810871 721582469 /nfs/dbraw/zinc/58/24/69/721582469.db2.gz WNFJITMEJMAMBJ-SONWIMMPSA-N 1 1 471.630 4.930 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)[C@@H]2CCCO[C@H]12 ZINC001164806284 721586355 /nfs/dbraw/zinc/58/63/55/721586355.db2.gz MTWYSLJPYBWZKJ-ZLNRFVROSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)[C@@H]2CCCO[C@H]12 ZINC001164806284 721586359 /nfs/dbraw/zinc/58/63/59/721586359.db2.gz MTWYSLJPYBWZKJ-ZLNRFVROSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)n2)[C@@H]2CCCO[C@H]12 ZINC001164806969 721588375 /nfs/dbraw/zinc/58/83/75/721588375.db2.gz OFKIAJCDYIZOFM-VIZSFHNOSA-N 1 1 488.394 4.853 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)n2)[C@@H]2CCCO[C@H]12 ZINC001164806969 721588376 /nfs/dbraw/zinc/58/83/76/721588376.db2.gz OFKIAJCDYIZOFM-VIZSFHNOSA-N 1 1 488.394 4.853 20 0 JJADMO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164810113 721589463 /nfs/dbraw/zinc/58/94/63/721589463.db2.gz UJGKVFZOMJJNGE-ZRCGQRJVSA-N 1 1 458.940 4.738 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccccc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164808908 721589667 /nfs/dbraw/zinc/58/96/67/721589667.db2.gz ROCIHFSYCCHAMY-UZKOGDIHSA-N 1 1 486.403 4.839 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccccc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164808908 721589668 /nfs/dbraw/zinc/58/96/68/721589668.db2.gz ROCIHFSYCCHAMY-UZKOGDIHSA-N 1 1 486.403 4.839 20 0 JJADMO Cc1cncc(COC[C@@]23CCC[C@H]2CN(c2ncnc4c2CC[N@H+](Cc2ccccc2)C4)C3)c1 ZINC001164802943 721600904 /nfs/dbraw/zinc/60/09/04/721600904.db2.gz UGELBDNCZZIMPX-SVEHJYQDSA-N 1 1 469.633 4.562 20 0 JJADMO Cc1cncc(COC[C@@]23CCC[C@H]2CN(c2ncnc4c2CC[N@@H+](Cc2ccccc2)C4)C3)c1 ZINC001164802943 721600905 /nfs/dbraw/zinc/60/09/05/721600905.db2.gz UGELBDNCZZIMPX-SVEHJYQDSA-N 1 1 469.633 4.562 20 0 JJADMO CCOC(=O)c1cnc(Cl)c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1Cl ZINC001164908490 721694155 /nfs/dbraw/zinc/69/41/55/721694155.db2.gz ZLJAPAOFZWMZKF-OAQYLSRUSA-N 1 1 485.362 4.698 20 0 JJADMO FC1(F)CCN(c2ccc3c(n2)CCN(Cc2ccccc2)C3)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906124 721696724 /nfs/dbraw/zinc/69/67/24/721696724.db2.gz LQOJYUVBRSIVHS-MUUNZHRXSA-N 1 1 489.614 4.773 20 0 JJADMO FC1(F)CCN(c2ccc3c(n2)CCN(Cc2ccccc2)C3)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906124 721696728 /nfs/dbraw/zinc/69/67/28/721696728.db2.gz LQOJYUVBRSIVHS-MUUNZHRXSA-N 1 1 489.614 4.773 20 0 JJADMO Fc1cccc(Oc2ccnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)c1 ZINC001164908728 721718597 /nfs/dbraw/zinc/71/85/97/721718597.db2.gz YUSCYFLTRUXKPV-QHCPKHFHSA-N 1 1 455.484 4.541 20 0 JJADMO FC1(F)CCN(c2ncnc3[nH]c4ccc(Cl)cc4c32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907376 721720122 /nfs/dbraw/zinc/72/01/22/721720122.db2.gz RGSSNWGNEGKOFP-QHCPKHFHSA-N 1 1 468.939 4.897 20 0 JJADMO Cc1ccc(-c2nc3c(ncnc3N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)o2)cc1 ZINC001164909767 721725517 /nfs/dbraw/zinc/72/55/17/721725517.db2.gz DMSVPDHVRZBXHP-VWLOTQADSA-N 1 1 476.531 4.726 20 0 JJADMO Fc1ccc(Oc2ccnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)cc1 ZINC001164910553 721728775 /nfs/dbraw/zinc/72/87/75/721728775.db2.gz FXNUVAIPKQCIEB-HSZRJFAPSA-N 1 1 455.484 4.541 20 0 JJADMO FC1(F)CCN(c2ncc(Cl)nc2-c2ccccc2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164911244 721728992 /nfs/dbraw/zinc/72/89/92/721728992.db2.gz JJEWEJLXEZJNLB-HSZRJFAPSA-N 1 1 455.940 4.930 20 0 JJADMO FC(F)(Oc1ccc(Cl)nc1Cl)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164913543 721736255 /nfs/dbraw/zinc/73/62/55/721736255.db2.gz WXJAIDBMRRLGIP-SFHVURJKSA-N 1 1 479.305 4.946 20 0 JJADMO Cc1cnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1-c1ccccc1F ZINC001164912772 721736408 /nfs/dbraw/zinc/73/64/08/721736408.db2.gz QAFBJARXUSYORH-DEOSSOPVSA-N 1 1 453.512 4.724 20 0 JJADMO FC(F)(N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164909147 721736622 /nfs/dbraw/zinc/73/66/22/721736622.db2.gz CLOVEEBMMZOHJE-FQEVSTJZSA-N 1 1 468.926 4.988 20 0 JJADMO O=C1N(c2cccnc2)CC[C@]12CN(c1nc(Cl)ccc1C[NH+]1CCCC1)C[C@H]2c1ccccc1 ZINC001164912188 721741376 /nfs/dbraw/zinc/74/13/76/721741376.db2.gz MLYWCIVSTXSIGP-RBJSKKJNSA-N 1 1 488.035 4.753 20 0 JJADMO O=C1N(c2cccnc2)CC[C@]12CN(c1nc(Cl)ccc1C[NH+]1CCCC1)C[C@@H]2c1ccccc1 ZINC001164912190 721741639 /nfs/dbraw/zinc/74/16/39/721741639.db2.gz MLYWCIVSTXSIGP-UFHPHHKVSA-N 1 1 488.035 4.753 20 0 JJADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)CC1 ZINC001165012817 721748282 /nfs/dbraw/zinc/74/82/82/721748282.db2.gz OESODSGSLBJTTR-UHFFFAOYSA-N 1 1 480.962 4.609 20 0 JJADMO CN(Cc1ccco1)Cc1cncc2c1CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164909966 721751668 /nfs/dbraw/zinc/75/16/68/721751668.db2.gz VHFSHSCLJKWFAY-UHFFFAOYSA-N 1 1 479.628 4.823 20 0 JJADMO CN(Cc1ccco1)Cc1cncc2c1CCN(c1[nH+]cnc3c1ccn3Cc1ccccc1)C2 ZINC001164910832 721756027 /nfs/dbraw/zinc/75/60/27/721756027.db2.gz SJSBRAPKLIRNSH-UHFFFAOYSA-N 1 1 464.573 4.662 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)C2 ZINC001164911581 721757585 /nfs/dbraw/zinc/75/75/85/721757585.db2.gz WTVAWNPFFLJOJD-UHFFFAOYSA-N 1 1 468.985 4.873 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)C2 ZINC001164911581 721757586 /nfs/dbraw/zinc/75/75/86/721757586.db2.gz WTVAWNPFFLJOJD-UHFFFAOYSA-N 1 1 468.985 4.873 20 0 JJADMO CCOC(=O)c1sc2nc(C)nc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c2c1C ZINC001164911723 721761238 /nfs/dbraw/zinc/76/12/38/721761238.db2.gz RGHYWQKDVZTBID-UHFFFAOYSA-N 1 1 491.617 4.668 20 0 JJADMO CCOC(=O)c1sc2nc(C)nc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c2c1C ZINC001164911723 721761246 /nfs/dbraw/zinc/76/12/46/721761246.db2.gz RGHYWQKDVZTBID-UHFFFAOYSA-N 1 1 491.617 4.668 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)C2 ZINC001164910819 721764787 /nfs/dbraw/zinc/76/47/87/721764787.db2.gz LLJAQSYZNVLZCT-UHFFFAOYSA-N 1 1 468.985 4.873 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)C2 ZINC001164910819 721764793 /nfs/dbraw/zinc/76/47/93/721764793.db2.gz LLJAQSYZNVLZCT-UHFFFAOYSA-N 1 1 468.985 4.873 20 0 JJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@H]3CN(C(=O)c4ccco4)C[C@H]32)n1 ZINC001165018201 721772695 /nfs/dbraw/zinc/77/26/95/721772695.db2.gz UIIKPKZWMZPPNY-PZJWPPBQSA-N 1 1 487.629 4.754 20 0 JJADMO CSc1nc(Cl)cc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165028539 721802364 /nfs/dbraw/zinc/80/23/64/721802364.db2.gz ZEZRSMUSAIXEIN-UAGQMJEPSA-N 1 1 453.990 4.529 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C(=O)NCc4ccccc4)cc(Cl)n3)C[C@@H]21 ZINC001165026962 721805463 /nfs/dbraw/zinc/80/54/63/721805463.db2.gz SYDGXKIHUSFJFJ-IEZKXTBUSA-N 1 1 490.051 4.797 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3ncn4Cc3ccccc3)C[C@@H]21 ZINC001165018706 721806803 /nfs/dbraw/zinc/80/68/03/721806803.db2.gz BZTYFSNRSADTTM-ACIOBRDBSA-N 1 1 488.039 4.660 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ncc3OCc3ccccc3)C[C@H]21 ZINC001165026802 721813487 /nfs/dbraw/zinc/81/34/87/721813487.db2.gz RFZAWXFWZDMAGZ-MDNUFGMLSA-N 1 1 464.013 4.841 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3ccn4Cc3ccc(F)cc3)C[C@@H]21 ZINC001165029005 721814835 /nfs/dbraw/zinc/81/48/35/721814835.db2.gz YPHSXYUJYIJSLO-OUIFVKKZSA-N 1 1 470.596 4.751 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccc4cnc(Cl)nc4c3)C[C@@H]21 ZINC001165025957 721816601 /nfs/dbraw/zinc/81/66/01/721816601.db2.gz OMUGZPXQEQDZDG-PIPMEXSNSA-N 1 1 457.956 4.960 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccc4cnc(Cl)nc4c3)C[C@H]21 ZINC001165025956 721816673 /nfs/dbraw/zinc/81/66/73/721816673.db2.gz OMUGZPXQEQDZDG-NQSCKRDGSA-N 1 1 457.956 4.960 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3ccc4cnc(Cl)nc4c3)C[C@@H]21 ZINC001165025958 721816832 /nfs/dbraw/zinc/81/68/32/721816832.db2.gz OMUGZPXQEQDZDG-RBDMOPTHSA-N 1 1 457.956 4.960 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc4ccccc4nc3Cl)C[C@H]21 ZINC001165022715 721817272 /nfs/dbraw/zinc/81/72/72/721817272.db2.gz GVRJTDGRGMYRQR-YRISNDGFSA-N 1 1 457.956 4.960 20 0 JJADMO CCOC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(Cl)n1 ZINC001165026295 721821482 /nfs/dbraw/zinc/82/14/82/721821482.db2.gz OQJYEBNRMIHPMZ-MDKPJZGXSA-N 1 1 478.971 4.589 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(-c4cccnc4)nc4ccccc43)C[C@@H]21 ZINC001165023998 721823652 /nfs/dbraw/zinc/82/36/52/721823652.db2.gz JGAJPOCHWSYAHH-PMWMKWCKSA-N 1 1 450.590 4.824 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c(-c5ccccc5)nsc43)C[C@H]21 ZINC001165029063 721824593 /nfs/dbraw/zinc/82/45/93/721824593.db2.gz WURDTMLGZGSHNG-CEMLEFRQSA-N 1 1 456.619 4.885 20 0 JJADMO COc1ccc(Oc2cc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nc(C)n2)cc1 ZINC001165019156 721829152 /nfs/dbraw/zinc/82/91/52/721829152.db2.gz BFALVMCVSNIPRT-BUUDZMLXSA-N 1 1 459.594 4.718 20 0 JJADMO COc1ccc(Oc2cc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nc(C)n2)cc1 ZINC001165019157 721829301 /nfs/dbraw/zinc/82/93/01/721829301.db2.gz BFALVMCVSNIPRT-KSNOWIBYSA-N 1 1 459.594 4.718 20 0 JJADMO COc1ccc(Cc2c(C)nc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nc2C)cc1 ZINC001165022332 721829755 /nfs/dbraw/zinc/82/97/55/721829755.db2.gz GXMRIUJCSRHGFF-MLKSZZLFSA-N 1 1 471.649 4.825 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)COC(=O)Nc3cccnc3Cl)C[C@@H]21 ZINC001165028230 721830253 /nfs/dbraw/zinc/83/02/53/721830253.db2.gz UYXRHOYFFAASPN-XKGZKEIXSA-N 1 1 479.959 4.504 20 0 JJADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)C2(c3ccnc(Cl)c3)CC2)CC1 ZINC001165029807 721845241 /nfs/dbraw/zinc/84/52/41/721845241.db2.gz DWUNEKXLAROCQG-UHFFFAOYSA-N 1 1 465.972 4.973 20 0 JJADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(-c2cccnc2)nc2scc(-c3ccccc3)c21 ZINC001164933568 721879132 /nfs/dbraw/zinc/87/91/32/721879132.db2.gz MYMLUDMBTJBXPQ-GOTSBHOMSA-N 1 1 470.646 4.635 20 0 JJADMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(-c2cccnc2)nc2scc(-c3ccccc3)c21 ZINC001164933568 721879134 /nfs/dbraw/zinc/87/91/34/721879134.db2.gz MYMLUDMBTJBXPQ-GOTSBHOMSA-N 1 1 470.646 4.635 20 0 JJADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(CSc2ccccc2)nc2sc3c(c21)CCC3 ZINC001164934411 721879477 /nfs/dbraw/zinc/87/94/77/721879477.db2.gz RLNLGODVTXKLMM-RTWAWAEBSA-N 1 1 479.719 4.687 20 0 JJADMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(CSc2ccccc2)nc2sc3c(c21)CCC3 ZINC001164934411 721879478 /nfs/dbraw/zinc/87/94/78/721879478.db2.gz RLNLGODVTXKLMM-RTWAWAEBSA-N 1 1 479.719 4.687 20 0 JJADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c21 ZINC001164930935 721879511 /nfs/dbraw/zinc/87/95/11/721879511.db2.gz DLCXIWCEPPKEJL-XZOQPEGZSA-N 1 1 470.646 4.635 20 0 JJADMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c21 ZINC001164930935 721879514 /nfs/dbraw/zinc/87/95/14/721879514.db2.gz DLCXIWCEPPKEJL-XZOQPEGZSA-N 1 1 470.646 4.635 20 0 JJADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(CN2CCCCC2)nc2scc(-c3cccs3)c21 ZINC001164932636 721880013 /nfs/dbraw/zinc/88/00/13/721880013.db2.gz JUQDQFSEHZHSPV-RTWAWAEBSA-N 1 1 496.750 4.620 20 0 JJADMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(CN2CCCCC2)nc2scc(-c3cccs3)c21 ZINC001164932636 721880015 /nfs/dbraw/zinc/88/00/15/721880015.db2.gz JUQDQFSEHZHSPV-RTWAWAEBSA-N 1 1 496.750 4.620 20 0 JJADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(CN2CCCCC2)nc2scc(-c3cccs3)c21 ZINC001164932635 721880082 /nfs/dbraw/zinc/88/00/82/721880082.db2.gz JUQDQFSEHZHSPV-NHCUHLMSSA-N 1 1 496.750 4.620 20 0 JJADMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(CN2CCCCC2)nc2scc(-c3cccs3)c21 ZINC001164932635 721880083 /nfs/dbraw/zinc/88/00/83/721880083.db2.gz JUQDQFSEHZHSPV-NHCUHLMSSA-N 1 1 496.750 4.620 20 0 JJADMO Cc1ccc(-c2csc3nc(-c4ccncc4)nc(N4CC[C@@H]5[C@@H]4CC[N@@H+]5CCN(C)C)c23)cc1 ZINC001164935059 721880113 /nfs/dbraw/zinc/88/01/13/721880113.db2.gz VERRTMCQHVIRBY-RPWUZVMVSA-N 1 1 484.673 4.943 20 0 JJADMO Cc1ccc(-c2csc3nc(-c4ccncc4)nc(N4CC[C@@H]5[C@@H]4CCN5CC[NH+](C)C)c23)cc1 ZINC001164935059 721880114 /nfs/dbraw/zinc/88/01/14/721880114.db2.gz VERRTMCQHVIRBY-RPWUZVMVSA-N 1 1 484.673 4.943 20 0 JJADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nnc(-c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC001164934428 721884320 /nfs/dbraw/zinc/88/43/20/721884320.db2.gz RPEBISLUDVGJGW-YADHBBJMSA-N 1 1 456.421 4.818 20 0 JJADMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nnc(-c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC001164934428 721884322 /nfs/dbraw/zinc/88/43/22/721884322.db2.gz RPEBISLUDVGJGW-YADHBBJMSA-N 1 1 456.421 4.818 20 0 JJADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1ccccc1-c1nc(Cl)c2ccccc2n1 ZINC001164929271 721890004 /nfs/dbraw/zinc/89/00/04/721890004.db2.gz AZJHOZUYSDWYAU-FCHUYYIVSA-N 1 1 471.983 4.710 20 0 JJADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1ccccc1-c1nc(Cl)c2ccccc2n1 ZINC001164929271 721890006 /nfs/dbraw/zinc/89/00/06/721890006.db2.gz AZJHOZUYSDWYAU-FCHUYYIVSA-N 1 1 471.983 4.710 20 0 JJADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2C(F)(F)c1ccccc1-c1nc(Cl)c2ccccc2n1 ZINC001164929272 721890068 /nfs/dbraw/zinc/89/00/68/721890068.db2.gz AZJHOZUYSDWYAU-FGZHOGPDSA-N 1 1 471.983 4.710 20 0 JJADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2C(F)(F)c1ccccc1-c1nc(Cl)c2ccccc2n1 ZINC001164929272 721890069 /nfs/dbraw/zinc/89/00/69/721890069.db2.gz AZJHOZUYSDWYAU-FGZHOGPDSA-N 1 1 471.983 4.710 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(-c5c(F)cccc5F)nn4)CC3)C2)cc1 ZINC001164939083 721931882 /nfs/dbraw/zinc/93/18/82/721931882.db2.gz IMJZJJKUCGXTED-UHFFFAOYSA-N 1 1 450.533 4.602 20 0 JJADMO CC(C)(C)C(=O)Nc1ccnc(N2CCC(CCc3ccccc3)CC2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001165045151 721939724 /nfs/dbraw/zinc/93/97/24/721939724.db2.gz VZODZYKJGCMTKI-XMMPIXPASA-N 1 1 478.681 4.730 20 0 JJADMO COC(=O)c1ccc(C(F)(F)N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)nc1Cl ZINC001165044629 721939884 /nfs/dbraw/zinc/93/98/84/721939884.db2.gz PFOBTSWTKSJGNK-UHFFFAOYSA-N 1 1 467.303 4.595 20 0 JJADMO CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)C[C@@H]12 ZINC001164942802 721967381 /nfs/dbraw/zinc/96/73/81/721967381.db2.gz CXZVEFOXURWOBH-LXFBAYGMSA-N 1 1 489.689 4.673 20 0 JJADMO Cc1ccc2c([nH+]1)N(Cc1cccnc1)CCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)C2 ZINC001164953205 722006222 /nfs/dbraw/zinc/00/62/22/722006222.db2.gz QDSCGNFGUZIERP-UHFFFAOYSA-N 1 1 498.034 4.771 20 0 JJADMO Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)C3)n1 ZINC001164964995 722026912 /nfs/dbraw/zinc/02/69/12/722026912.db2.gz YMMMMBMRYFOGJI-OZXSUGGESA-N 1 1 471.045 4.627 20 0 JJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3OCCC[C@@]3(COCc3cccc(C)n3)C2)nc1 ZINC001164959018 722027397 /nfs/dbraw/zinc/02/73/97/722027397.db2.gz HMTSRXKHNWOICB-GTNKKZTPSA-N 1 1 464.654 4.924 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCO[C@H]4[C@H]3CC[C@@H]4Oc3ncccc3F)c2c1C ZINC001164958344 722029485 /nfs/dbraw/zinc/02/94/85/722029485.db2.gz ONOCDIHZWYNKRT-QTEQDKRBSA-N 1 1 497.640 4.643 20 0 JJADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)nc1 ZINC001164963589 722038736 /nfs/dbraw/zinc/03/87/36/722038736.db2.gz QOEHEDZMSPBKJR-PPLMLPQLSA-N 1 1 452.668 4.511 20 0 JJADMO CSc1cnc(Cl)c(C(F)(F)N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001164963267 722058900 /nfs/dbraw/zinc/05/89/00/722058900.db2.gz UXSUYMRSEQYOAT-UHFFFAOYSA-N 1 1 469.001 4.516 20 0 JJADMO COc1cccc(-c2nc3ccccc3c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n2)c1 ZINC001164963471 722060913 /nfs/dbraw/zinc/06/09/13/722060913.db2.gz ZKEAVHAOWWDWJA-UHFFFAOYSA-N 1 1 495.627 4.819 20 0 JJADMO Cc1nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164966708 722061570 /nfs/dbraw/zinc/06/15/70/722061570.db2.gz XDAQQAGTMWCJDR-UHFFFAOYSA-N 1 1 492.067 4.852 20 0 JJADMO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973364 722109993 /nfs/dbraw/zinc/10/99/93/722109993.db2.gz HDGWZCVVLMOHAI-UZLBHIALSA-N 1 1 494.373 4.604 20 0 JJADMO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973346 722110150 /nfs/dbraw/zinc/11/01/50/722110150.db2.gz HDGWZCVVLMOHAI-JXFKEZNVSA-N 1 1 494.373 4.604 20 0 JJADMO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981484 722122540 /nfs/dbraw/zinc/12/25/40/722122540.db2.gz UFNUOLKORDNEOJ-OXQOHEQNSA-N 1 1 494.373 4.604 20 0 JJADMO Cc1ccc2nc(-c3ccccc3F)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164980451 722125938 /nfs/dbraw/zinc/12/59/38/722125938.db2.gz REWDLKSZGNYJJL-CUNXSJBXSA-N 1 1 483.591 4.867 20 0 JJADMO c1ccc(COc2ccc3nc(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@@H]5C4)ccc3c2)cc1 ZINC001164983208 722126193 /nfs/dbraw/zinc/12/61/93/722126193.db2.gz YMDBCYIVRGEEHH-LITSAYRRSA-N 1 1 480.612 4.936 20 0 JJADMO FC(F)(c1cccc2ccnc(Cl)c21)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981177 722126570 /nfs/dbraw/zinc/12/65/70/722126570.db2.gz UCCNWHMXTWSPIS-PZJWPPBQSA-N 1 1 458.940 4.555 20 0 JJADMO FC(F)(c1cc2ccccc2nc1Cl)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975192 722130764 /nfs/dbraw/zinc/13/07/64/722130764.db2.gz FKCAVJHFHPOTAZ-SIKLNZKXSA-N 1 1 458.940 4.555 20 0 JJADMO Fc1ccc(-c2csc3ncnc(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@@H]5C4)c23)cc1 ZINC001164985047 722138995 /nfs/dbraw/zinc/13/89/95/722138995.db2.gz YXZZDVIVEQDSBA-NZQKXSOJSA-N 1 1 475.593 4.620 20 0 JJADMO Cc1nc2scc(-c3cccs3)c2c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164973229 722141398 /nfs/dbraw/zinc/14/13/98/722141398.db2.gz BNVAKLATDQXLAJ-PZJWPPBQSA-N 1 1 477.659 4.851 20 0 JJADMO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976258 722154053 /nfs/dbraw/zinc/15/40/53/722154053.db2.gz WJWJSARZHBIQEH-DYESRHJHSA-N 1 1 458.940 4.597 20 0 JJADMO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973988 722155457 /nfs/dbraw/zinc/15/54/57/722155457.db2.gz NUYBPVHSNNGFMV-XUZZJYLKSA-N 1 1 480.012 4.607 20 0 JJADMO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164977186 722155982 /nfs/dbraw/zinc/15/59/82/722155982.db2.gz YEVPTYQZNMXSAA-QPPBQGQZSA-N 1 1 480.012 4.607 20 0 JJADMO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164977194 722156315 /nfs/dbraw/zinc/15/63/15/722156315.db2.gz YEVPTYQZNMXSAA-XUZZJYLKSA-N 1 1 480.012 4.607 20 0 JJADMO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971568 722159052 /nfs/dbraw/zinc/15/90/52/722159052.db2.gz BSTRDMCODGEIMK-AUSIDOKSSA-N 1 1 476.999 4.671 20 0 JJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)c2cc(C(=O)NC(C)C)ccc2NC3=O)nc1 ZINC001164990771 722187926 /nfs/dbraw/zinc/18/79/26/722187926.db2.gz NTIBLWMQMOHVIY-VWLOTQADSA-N 1 1 489.664 4.647 20 0 JJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc(Cl)nc4c(Cl)nc(Cl)nc42)C3)c1 ZINC001164994926 722196166 /nfs/dbraw/zinc/19/61/66/722196166.db2.gz QXINFQYZOVIXIJ-FQEVSTJZSA-N 1 1 467.763 4.764 20 0 JJADMO Fc1ccc(Oc2nc(Cl)nc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)n2)cc1 ZINC001164995020 722203161 /nfs/dbraw/zinc/20/31/61/722203161.db2.gz KLCCSDSQVHPCDX-QHCPKHFHSA-N 1 1 457.912 4.840 20 0 JJADMO COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995978 722205040 /nfs/dbraw/zinc/20/50/40/722205040.db2.gz QZFQXTIHYDYBJH-MRDYAVBSSA-N 1 1 494.611 4.636 20 0 JJADMO CCOC(=O)c1ccc(C(F)(F)N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(Cl)n1 ZINC001164994440 722206665 /nfs/dbraw/zinc/20/66/65/722206665.db2.gz HBVSCFHMDALFSR-QFIPXVFZSA-N 1 1 467.919 4.841 20 0 JJADMO CCOC(=O)c1ccc(C(F)(F)N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c(Cl)n1 ZINC001164994440 722206668 /nfs/dbraw/zinc/20/66/68/722206668.db2.gz HBVSCFHMDALFSR-QFIPXVFZSA-N 1 1 467.919 4.841 20 0 JJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ccc(-c4ccc5c(c4)OCCCO5)nn2)C3)c1 ZINC001164996614 722210035 /nfs/dbraw/zinc/21/00/35/722210035.db2.gz UKQMJXQMNLRMJL-MHZLTWQESA-N 1 1 460.553 4.689 20 0 JJADMO CC(C)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1CCCCNC(=O)OC(C)(C)C ZINC001359712112 1064260488 /nfs/dbraw/zinc/26/04/88/1064260488.db2.gz GPIXNZGRERXMQL-UHFFFAOYSA-N 1 1 488.652 4.558 20 0 JJADMO CC(C)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001359712210 1064261140 /nfs/dbraw/zinc/26/11/40/1064261140.db2.gz KBNQOXSBKDLDJS-UHFFFAOYSA-N 1 1 475.685 4.834 20 0 JJADMO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC001545850854 1064261672 /nfs/dbraw/zinc/26/16/72/1064261672.db2.gz SAXUWBMZFTZMMJ-SQJMNOBHSA-N 1 1 450.966 4.745 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2Cc3ccccc3[C@@H]2C)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001545857024 1064265470 /nfs/dbraw/zinc/26/54/70/1064265470.db2.gz NCOUGORGMNBUKJ-RTWAWAEBSA-N 1 1 466.674 4.932 20 0 JJADMO CC(C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001359719072 1064266326 /nfs/dbraw/zinc/26/63/26/1064266326.db2.gz AWPXXNFXUILAFA-VWNXMTODSA-N 1 1 496.700 4.759 20 0 JJADMO CC(C)c1nnc(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001359719793 1064267483 /nfs/dbraw/zinc/26/74/83/1064267483.db2.gz YDPNJBGWAHYQBB-UHFFFAOYSA-N 1 1 487.762 4.600 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001545862206 1064270146 /nfs/dbraw/zinc/27/01/46/1064270146.db2.gz CHFNKTSIZYNAML-SFTDATJTSA-N 1 1 460.711 4.581 20 0 JJADMO C[C@H](Cc1cc(Br)ccc1F)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001545867041 1064276853 /nfs/dbraw/zinc/27/68/53/1064276853.db2.gz RUJWRRMVXHCGFM-UTKZUKDTSA-N 1 1 459.403 4.938 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C3(CCC3)C2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001545867435 1064276869 /nfs/dbraw/zinc/27/68/69/1064276869.db2.gz BPYGJFORNGLDGH-VXKWHMMOSA-N 1 1 472.722 4.581 20 0 JJADMO CC(C)[C@@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001359733554 1064291094 /nfs/dbraw/zinc/29/10/94/1064291094.db2.gz BGKAAWIRZNDHKH-NRFANRHFSA-N 1 1 471.447 4.793 20 0 JJADMO CC(C)[C@H]1CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001359737583 1064298820 /nfs/dbraw/zinc/29/88/20/1064298820.db2.gz AQNBKDZEBJVIRU-MBDNFAEBSA-N 1 1 488.721 4.794 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC3(C2)CCCCC3)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001545885030 1064301772 /nfs/dbraw/zinc/30/17/72/1064301772.db2.gz LGQLIZWFHKSSBJ-QFIPXVFZSA-N 1 1 472.722 4.725 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCc3cc(F)cc(C)c3C2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001545886881 1064303700 /nfs/dbraw/zinc/30/37/00/1064303700.db2.gz OXQUYWPLXDEUNZ-FQEVSTJZSA-N 1 1 498.691 4.719 20 0 JJADMO CC(C)[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@@H+](C)C(C)C)C1 ZINC001359739006 1064304577 /nfs/dbraw/zinc/30/45/77/1064304577.db2.gz JGHLTHQLAXQHFQ-MRXNPFEDSA-N 1 1 452.416 4.669 20 0 JJADMO CC(C)[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001359739275 1064305658 /nfs/dbraw/zinc/30/56/58/1064305658.db2.gz PEHLQOZSJNZTQQ-CABCVRRESA-N 1 1 452.466 4.734 20 0 JJADMO CC(C)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001359739325 1064307179 /nfs/dbraw/zinc/30/71/79/1064307179.db2.gz PZWNEVKMVBIUQF-QHCPKHFHSA-N 1 1 460.066 4.708 20 0 JJADMO CC(C)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001359744786 1064317362 /nfs/dbraw/zinc/31/73/62/1064317362.db2.gz SBHCVUJOUJLPII-HSZRJFAPSA-N 1 1 453.675 4.892 20 0 JJADMO CC(C)[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001359745238 1064318154 /nfs/dbraw/zinc/31/81/54/1064318154.db2.gz DBBIUCNVBNRQFE-HSZRJFAPSA-N 1 1 496.744 4.663 20 0 JJADMO CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@H+]2CCC[C@H]2CO)CCS1 ZINC001359747478 1064328190 /nfs/dbraw/zinc/32/81/90/1064328190.db2.gz CJMHSLGWGYUOCG-UGKGYDQZSA-N 1 1 496.096 4.552 20 0 JJADMO CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC001359747555 1064329041 /nfs/dbraw/zinc/32/90/41/1064329041.db2.gz DOLZSHPXGLABHP-PZJWPPBQSA-N 1 1 461.054 4.509 20 0 JJADMO CC(C)[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](C)[N@@H+](C)C2CC2)CCS1 ZINC001359747769 1064331440 /nfs/dbraw/zinc/33/14/40/1064331440.db2.gz IALWZRQDLINLAY-QRWLVFNGSA-N 1 1 496.494 4.907 20 0 JJADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)[C@H](CC(C)C)c1ccc(Cl)cc1 ZINC001434914117 1064340581 /nfs/dbraw/zinc/34/05/81/1064340581.db2.gz SPZRVMJYKUFUSF-OAQYLSRUSA-N 1 1 458.002 4.505 20 0 JJADMO CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC001434917602 1064345002 /nfs/dbraw/zinc/34/50/02/1064345002.db2.gz CIAISFHIRGNHBM-RUZDIDTESA-N 1 1 451.636 4.870 20 0 JJADMO CC(C)[C@H]1CN(c2nnc(CCc3ccccc3)n2CCC[N@@H+](C)C2CCCCC2)CCO1 ZINC001359754929 1064345748 /nfs/dbraw/zinc/34/57/48/1064345748.db2.gz OTEYYUFVHKANDT-RUZDIDTESA-N 1 1 453.675 4.579 20 0 JJADMO CC(C)[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCC[N@@H+](C)C2CCCCC2)CCO1 ZINC001359756422 1064354206 /nfs/dbraw/zinc/35/42/06/1064354206.db2.gz QZSUSWWJQWHZSJ-XMMPIXPASA-N 1 1 473.637 4.512 20 0 JJADMO CC(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001359760765 1064370329 /nfs/dbraw/zinc/37/03/29/1064370329.db2.gz YXKQGTRXUMQQSM-OZXSUGGESA-N 1 1 471.665 4.626 20 0 JJADMO CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001359762116 1064374249 /nfs/dbraw/zinc/37/42/49/1064374249.db2.gz QEBMQIGVTLUDQM-JTHBVZDNSA-N 1 1 460.066 4.970 20 0 JJADMO CC(C)C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC001359770924 1064402871 /nfs/dbraw/zinc/40/28/71/1064402871.db2.gz NMJAXLSMFBTDNE-UPVQGACJSA-N 1 1 454.707 4.554 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001359775131 1064417175 /nfs/dbraw/zinc/41/71/75/1064417175.db2.gz JEJOREFZRSRTAB-NKSHGSGZSA-N 1 1 459.704 4.532 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001359775130 1064417251 /nfs/dbraw/zinc/41/72/51/1064417251.db2.gz JEJOREFZRSRTAB-IPTDAMJFSA-N 1 1 459.704 4.532 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001359775405 1064418139 /nfs/dbraw/zinc/41/81/39/1064418139.db2.gz PAGBWIWRXOBOTG-YADHBBJMSA-N 1 1 482.673 4.751 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@H](CF)c2ccc(Br)cc2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001359776945 1064419791 /nfs/dbraw/zinc/41/97/91/1064419791.db2.gz WYMBVCQJMPBABS-YLJYHZDGSA-N 1 1 489.437 4.845 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1CCOc1ncccc1F ZINC001359777744 1064422241 /nfs/dbraw/zinc/42/22/41/1064422241.db2.gz QIOTXYGULKFDOB-GMAHTHKFSA-N 1 1 480.632 4.579 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1C[C@H]1CCCO[C@@H]1C(C)C ZINC001359778132 1064422927 /nfs/dbraw/zinc/42/29/27/1064422927.db2.gz ZQHCCDJWDZJDMC-DGWZTRNLSA-N 1 1 453.675 4.639 20 0 JJADMO CC(C)Cc1nnc(N(C)Cc2ccc(F)cc2)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001359780176 1064428626 /nfs/dbraw/zinc/42/86/26/1064428626.db2.gz MMUPVJKKPCGRKZ-SFTDATJTSA-N 1 1 459.610 4.926 20 0 JJADMO CC(C)Cc1nnc(N(C)Cc2ccc(F)cc2)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001359780176 1064428633 /nfs/dbraw/zinc/42/86/33/1064428633.db2.gz MMUPVJKKPCGRKZ-SFTDATJTSA-N 1 1 459.610 4.926 20 0 JJADMO CC(C)Cc1nnc(N(C)Cc2nccs2)n1CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001359782325 1064434130 /nfs/dbraw/zinc/43/41/30/1064434130.db2.gz PNYUSVPEJKSQKG-UNMCSNQZSA-N 1 1 452.672 4.870 20 0 JJADMO CC(C)Cc1nnc(N(C)Cc2nccs2)n1CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001359782324 1064434263 /nfs/dbraw/zinc/43/42/63/1064434263.db2.gz PNYUSVPEJKSQKG-RBBKRZOGSA-N 1 1 452.672 4.870 20 0 JJADMO CC(C)Cc1nnc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1C[C@@H]1CCCO[C@@H]1C(C)C ZINC001359784101 1064437048 /nfs/dbraw/zinc/43/70/48/1064437048.db2.gz RIONPKNHVQDZMK-OHSXHVKISA-N 1 1 467.702 4.886 20 0 JJADMO CC(C)Cc1nnc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359792119 1064449387 /nfs/dbraw/zinc/44/93/87/1064449387.db2.gz HRKWIRMKLQXEIJ-OQLXKQOESA-N 1 1 459.704 4.873 20 0 JJADMO CC(C)Cc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001359795372 1064453606 /nfs/dbraw/zinc/45/36/06/1064453606.db2.gz IGEYHLBXBZCYJF-IBGZPJMESA-N 1 1 479.591 4.735 20 0 JJADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCc2cccc(COC3CCOCC3)c2)c1 ZINC001435038079 1064453840 /nfs/dbraw/zinc/45/38/40/1064453840.db2.gz HPNDFPQTMRVHHE-UHFFFAOYSA-N 1 1 458.602 4.944 20 0 JJADMO CC(C)Cc1nnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001359800513 1064467883 /nfs/dbraw/zinc/46/78/83/1064467883.db2.gz HPIMBASIFMSBCA-NTKDMRAZSA-N 1 1 460.066 4.564 20 0 JJADMO CC(C)Cc1nnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001359800514 1064467946 /nfs/dbraw/zinc/46/79/46/1064467946.db2.gz HPIMBASIFMSBCA-YADARESESA-N 1 1 460.066 4.564 20 0 JJADMO CC1CCN(C(=S)SCC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC1 ZINC001435052960 1064471259 /nfs/dbraw/zinc/47/12/59/1064471259.db2.gz MNYHOHWARVDSOP-FQEVSTJZSA-N 1 1 454.105 4.561 20 0 JJADMO CC1CCN(C(=S)SCC(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1 ZINC001435052960 1064471263 /nfs/dbraw/zinc/47/12/63/1064471263.db2.gz MNYHOHWARVDSOP-FQEVSTJZSA-N 1 1 454.105 4.561 20 0 JJADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@]2(C)CC2(Br)Br)c1 ZINC001435054880 1064473004 /nfs/dbraw/zinc/47/30/04/1064473004.db2.gz CGMCLBINAKZFMM-QGZVFWFLSA-N 1 1 455.194 4.889 20 0 JJADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)c3cccc(-c4cscn4)c3)CC2)c1C ZINC001435056064 1064474676 /nfs/dbraw/zinc/47/46/76/1064474676.db2.gz FASVBHKJHFIHDT-UHFFFAOYSA-N 1 1 450.608 4.567 20 0 JJADMO Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC001435062437 1064480964 /nfs/dbraw/zinc/48/09/64/1064480964.db2.gz WZSGIDUDWMGUQK-RUZDIDTESA-N 1 1 459.615 4.781 20 0 JJADMO CC(C)Cc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CCCSc1ccccc1 ZINC001359812484 1064489320 /nfs/dbraw/zinc/48/93/20/1064489320.db2.gz NGDMJNAJDNIVLM-UHFFFAOYSA-N 1 1 484.758 4.654 20 0 JJADMO CC(C)Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001359815786 1064498154 /nfs/dbraw/zinc/49/81/54/1064498154.db2.gz VHBLJBRHOKBQSF-UHFFFAOYSA-N 1 1 453.675 4.709 20 0 JJADMO CC(C)Cc1nnc(N2CCC(OCc3ccccc3F)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001359818139 1064501752 /nfs/dbraw/zinc/50/17/52/1064501752.db2.gz UCFLTWBLRKCOCC-OAQYLSRUSA-N 1 1 457.638 4.533 20 0 JJADMO CC(C)Cc1nnc(N2CCc3nc(C(F)(F)F)ncc3C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001359825938 1064508380 /nfs/dbraw/zinc/50/83/80/1064508380.db2.gz MELOIXWIUAKRMT-SFHVURJKSA-N 1 1 479.595 4.503 20 0 JJADMO C[C@H](c1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1)[NH+]1CCOCC1 ZINC001435091987 1064508952 /nfs/dbraw/zinc/50/89/52/1064508952.db2.gz YRXKTOSNMMVXEV-CQSZACIVSA-N 1 1 453.764 4.513 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001359830042 1064512027 /nfs/dbraw/zinc/51/20/27/1064512027.db2.gz CFLOWXNPEQPOTH-FYYLOGMGSA-N 1 1 488.721 4.577 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@@H](c3nc(C(C)C)cs3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001359830870 1064513737 /nfs/dbraw/zinc/51/37/37/1064513737.db2.gz SCIAGCKFPRGLNQ-HXUWFJFHSA-N 1 1 474.719 4.551 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@@H](c3nc(C(C)C)cs3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001359830870 1064513750 /nfs/dbraw/zinc/51/37/50/1064513750.db2.gz SCIAGCKFPRGLNQ-HXUWFJFHSA-N 1 1 474.719 4.551 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001359833309 1064518410 /nfs/dbraw/zinc/51/84/10/1064518410.db2.gz WBVKZTLUANLQPK-WOJBJXKFSA-N 1 1 481.611 4.654 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001359835409 1064522450 /nfs/dbraw/zinc/52/24/50/1064522450.db2.gz WIGYGLPWXDWBHW-JTHBVZDNSA-N 1 1 480.632 4.579 20 0 JJADMO CC(C)Cc1nnc(N2CCCN(Cc3ccc(F)cc3)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001359841456 1064528451 /nfs/dbraw/zinc/52/84/51/1064528451.db2.gz OYFDKOABZALQFS-XMMPIXPASA-N 1 1 484.708 4.983 20 0 JJADMO CC(C)Cc1nnc(N2CCCN(Cc3ccc(F)cc3)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001359841456 1064528463 /nfs/dbraw/zinc/52/84/63/1064528463.db2.gz OYFDKOABZALQFS-XMMPIXPASA-N 1 1 484.708 4.983 20 0 JJADMO CC(C)Cc1nnc(N2CCN(c3ccccc3Cl)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001359852837 1064540017 /nfs/dbraw/zinc/54/00/17/1064540017.db2.gz WTPXIHBLRMZFIX-JOCHJYFZSA-N 1 1 473.109 4.969 20 0 JJADMO CC(C)Cc1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CC[C@H](C)c1ccccc1 ZINC001359860286 1064549707 /nfs/dbraw/zinc/54/97/07/1064549707.db2.gz ONHHLRMPKPFAHP-CCDWMCETSA-N 1 1 466.718 4.665 20 0 JJADMO CC(C)Cc1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001359861317 1064551237 /nfs/dbraw/zinc/55/12/37/1064551237.db2.gz RCFBIMVGLYNSFV-AZGAKELHSA-N 1 1 466.718 4.555 20 0 JJADMO CC(C)Cc1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001359861317 1064551254 /nfs/dbraw/zinc/55/12/54/1064551254.db2.gz RCFBIMVGLYNSFV-AZGAKELHSA-N 1 1 466.718 4.555 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001359864220 1064554323 /nfs/dbraw/zinc/55/43/23/1064554323.db2.gz IFDMZPDRDYGSOG-NWSQWKLXSA-N 1 1 459.704 4.873 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@@H](c3ccccc3F)C2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001359868932 1064561318 /nfs/dbraw/zinc/56/13/18/1064561318.db2.gz PHEQVKQATNMPFY-ZJSXRUAMSA-N 1 1 457.638 4.848 20 0 JJADMO CC(C)Cc1nnc(Nc2cnn([C@@H]3CC3(F)F)c2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001359877135 1064567097 /nfs/dbraw/zinc/56/70/97/1064567097.db2.gz MTIBBVSVBJHNIH-RBUKOAKNSA-N 1 1 463.964 4.953 20 0 JJADMO CC(C)C[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001359886436 1064582012 /nfs/dbraw/zinc/58/20/12/1064582012.db2.gz LXWLZAHUZKAFDT-FCHUYYIVSA-N 1 1 486.730 4.510 20 0 JJADMO CC(C)C[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001359887819 1064584504 /nfs/dbraw/zinc/58/45/04/1064584504.db2.gz YKRMQILBKYNRAA-ACESQOTJSA-N 1 1 488.721 4.653 20 0 JJADMO Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001435208522 1064593234 /nfs/dbraw/zinc/59/32/34/1064593234.db2.gz WATBLKXJRJBSRH-QHCPKHFHSA-N 1 1 458.650 4.912 20 0 JJADMO CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001359891879 1064593599 /nfs/dbraw/zinc/59/35/99/1064593599.db2.gz YQGPJQAYERELAG-WNCULLNHSA-N 1 1 497.087 4.891 20 0 JJADMO CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001359895025 1064596863 /nfs/dbraw/zinc/59/68/63/1064596863.db2.gz WBCHVDDNTGDARA-QQNWGBJXSA-N 1 1 483.701 4.808 20 0 JJADMO CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001359899671 1064607074 /nfs/dbraw/zinc/60/70/74/1064607074.db2.gz QLKQNEKBZZWUCE-LOYIFYEOSA-N 1 1 477.738 4.695 20 0 JJADMO CC(C)CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001359901752 1064611428 /nfs/dbraw/zinc/61/14/28/1064611428.db2.gz BXCFZUZFHDRIJB-LAUBAEHRSA-N 1 1 466.457 4.845 20 0 JJADMO CC(C)CCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001359902307 1064614137 /nfs/dbraw/zinc/61/41/37/1064614137.db2.gz MXKGNBNZQYDSFQ-ZRCGQRJVSA-N 1 1 476.065 4.665 20 0 JJADMO CC(C)CCCn1c(-c2ccc(Br)cc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001359902706 1064615744 /nfs/dbraw/zinc/61/57/44/1064615744.db2.gz SERZACQOCVXFRK-UHFFFAOYSA-N 1 1 492.506 4.938 20 0 JJADMO COc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1OCc1ccc(Cl)cc1Cl ZINC001435253041 1064629283 /nfs/dbraw/zinc/62/92/83/1064629283.db2.gz ACSDUQZLCXIEPQ-FOIQADDNSA-N 1 1 451.394 4.993 20 0 JJADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1ccc2scc(Br)c2c1 ZINC001435254566 1064631701 /nfs/dbraw/zinc/63/17/01/1064631701.db2.gz SYMYJBCEQMWBTE-MRXNPFEDSA-N 1 1 458.425 4.604 20 0 JJADMO C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)[C@@H]1c1cccs1 ZINC001435260954 1064637670 /nfs/dbraw/zinc/63/76/70/1064637670.db2.gz LQUNHEKSWQXTSW-DOTOQJQBSA-N 1 1 450.486 4.630 20 0 JJADMO CCOC(=O)N1[C@H](C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC[C@H]1c1ccc(C)o1 ZINC001435262090 1064638207 /nfs/dbraw/zinc/63/82/07/1064638207.db2.gz ROOISJSBICWJBO-OZIGNCPNSA-N 1 1 459.612 4.511 20 0 JJADMO C[N@H+]1CCC[C@H](CNC(=O)COc2ccc(Cl)cc2Br)[C@@H]1c1cccs1 ZINC001435263289 1064639797 /nfs/dbraw/zinc/63/97/97/1064639797.db2.gz ZRLSTPOEVJIEIZ-BFUOFWGJSA-N 1 1 457.821 4.742 20 0 JJADMO CC(C)CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001359918092 1064640201 /nfs/dbraw/zinc/64/02/01/1064640201.db2.gz YXDCZRFPHURKQO-OAQYLSRUSA-N 1 1 466.630 4.583 20 0 JJADMO CC(C)CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001359918487 1064641853 /nfs/dbraw/zinc/64/18/53/1064641853.db2.gz IWWSXXSHUYGFSX-PKTZIBPZSA-N 1 1 490.737 4.995 20 0 JJADMO CN1CCCN(C(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c2cc(Cl)ccc21 ZINC001435300486 1064675922 /nfs/dbraw/zinc/67/59/22/1064675922.db2.gz FIHPCSNREFLUSB-QFIPXVFZSA-N 1 1 451.920 4.968 20 0 JJADMO CC(C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359934140 1064677128 /nfs/dbraw/zinc/67/71/28/1064677128.db2.gz XNTTXAGMWLUDHR-CALCHBBNSA-N 1 1 454.446 4.843 20 0 JJADMO CC(C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359934140 1064677134 /nfs/dbraw/zinc/67/71/34/1064677134.db2.gz XNTTXAGMWLUDHR-CALCHBBNSA-N 1 1 454.446 4.843 20 0 JJADMO CC(C)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001359934096 1064677144 /nfs/dbraw/zinc/67/71/44/1064677144.db2.gz VWVVKVXJLFXXCY-OAQYLSRUSA-N 1 1 453.034 4.998 20 0 JJADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(Br)ccc1OC(F)F ZINC001435304735 1064679461 /nfs/dbraw/zinc/67/94/61/1064679461.db2.gz OKFAYBWSLCUHGX-INIZCTEOSA-N 1 1 453.327 4.645 20 0 JJADMO CCCc1nc(C(=O)N2CC[NH+]([C@@H](CC)c3ccccc3)CC2)nn1-c1ccccc1Cl ZINC001435307564 1064680984 /nfs/dbraw/zinc/68/09/84/1064680984.db2.gz HNZMAMCUUFBOJM-NRFANRHFSA-N 1 1 452.002 4.782 20 0 JJADMO CCCc1nc(C(=O)N2CC[NH+]([C@H](CC)c3ccccc3)CC2)nn1-c1ccccc1Cl ZINC001435307565 1064680996 /nfs/dbraw/zinc/68/09/96/1064680996.db2.gz HNZMAMCUUFBOJM-OAQYLSRUSA-N 1 1 452.002 4.782 20 0 JJADMO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC001435306923 1064681023 /nfs/dbraw/zinc/68/10/23/1064681023.db2.gz BAXDBPIYDNWWQO-FQEVSTJZSA-N 1 1 456.999 4.778 20 0 JJADMO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(OC(F)F)c(Br)c2)CC1 ZINC001435308487 1064682700 /nfs/dbraw/zinc/68/27/00/1064682700.db2.gz CDRQGTWOLKDTRA-SFHVURJKSA-N 1 1 453.327 4.960 20 0 JJADMO CCOCc1nc(C)c(C(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)s1 ZINC001435314960 1064687370 /nfs/dbraw/zinc/68/73/70/1064687370.db2.gz CTQWGDTVZNLUCA-SFHVURJKSA-N 1 1 455.546 4.515 20 0 JJADMO CC(C)CC[NH+]1CCC(Cn2c(C(C)C)nnc2N2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC001359947515 1064696581 /nfs/dbraw/zinc/69/65/81/1064696581.db2.gz NKUAWIRCYCTVSK-DEOSSOPVSA-N 1 1 466.718 4.870 20 0 JJADMO C[N@@H+](CCN(Cc1ccccc1)C(=O)c1ccnc(OCC(F)(F)F)c1)Cc1ccccc1 ZINC001435325611 1064697950 /nfs/dbraw/zinc/69/79/50/1064697950.db2.gz RAKFGNCNGXPZGU-UHFFFAOYSA-N 1 1 457.496 4.797 20 0 JJADMO Cc1cc(N2CCC(NC(=O)COc3ccc(C(C)(C)C)cc3C(C)(C)C)CC2)nc(C)[nH+]1 ZINC001435328447 1064700396 /nfs/dbraw/zinc/70/03/96/1064700396.db2.gz RXPVQTWRUDWZPE-UHFFFAOYSA-N 1 1 452.643 4.852 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CCC(C(C)C)CC3)n2CC[N@@H+]2CCOC[C@H]2C)cc1 ZINC001359950863 1064707263 /nfs/dbraw/zinc/70/72/63/1064707263.db2.gz PIVCQQLICFOANH-HSZRJFAPSA-N 1 1 483.701 4.963 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CCC(C(C)C)CC3)n2CC[N@H+]2CCOC[C@H]2C)cc1 ZINC001359950863 1064707277 /nfs/dbraw/zinc/70/72/77/1064707277.db2.gz PIVCQQLICFOANH-HSZRJFAPSA-N 1 1 483.701 4.963 20 0 JJADMO COc1ccc(-c2nc(C)c(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)s2)c(F)c1 ZINC001435339269 1064709491 /nfs/dbraw/zinc/70/94/91/1064709491.db2.gz MFCSUICILNUBFV-OPAMFIHVSA-N 1 1 453.583 4.907 20 0 JJADMO O=C(CC1(CNC(=O)OCc2ccccc2)CCCCC1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001435344983 1064713543 /nfs/dbraw/zinc/71/35/43/1064713543.db2.gz GQYMEBUOEDYKRK-XMMPIXPASA-N 1 1 455.643 4.634 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC001435357365 1064721531 /nfs/dbraw/zinc/72/15/31/1064721531.db2.gz JHAHWAQSFPVGQF-QTGUNEKASA-N 1 1 450.558 4.847 20 0 JJADMO CC(C)CCOC1CCN(c2nnc(-c3cccnc3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001359955291 1064724626 /nfs/dbraw/zinc/72/46/26/1064724626.db2.gz YZDXDXRSJACRKF-QFIPXVFZSA-N 1 1 454.663 4.636 20 0 JJADMO CC(C)(C)C(=O)NCc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)cc1 ZINC001359957065 1064725046 /nfs/dbraw/zinc/72/50/46/1064725046.db2.gz IKNPXWNEMWCBEH-HSZRJFAPSA-N 1 1 456.030 4.787 20 0 JJADMO CC(C)(C)C(=O)NCc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)cc1 ZINC001359957065 1064725059 /nfs/dbraw/zinc/72/50/59/1064725059.db2.gz IKNPXWNEMWCBEH-HSZRJFAPSA-N 1 1 456.030 4.787 20 0 JJADMO CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)nc1 ZINC001359957500 1064725649 /nfs/dbraw/zinc/72/56/49/1064725649.db2.gz VGQUWSVKBAIUDR-FQEVSTJZSA-N 1 1 458.990 4.867 20 0 JJADMO CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)nc1 ZINC001359957500 1064725664 /nfs/dbraw/zinc/72/56/64/1064725664.db2.gz VGQUWSVKBAIUDR-FQEVSTJZSA-N 1 1 458.990 4.867 20 0 JJADMO C[C@@H]1C[C@H](NC(=O)c2cc(-c3cccc(Br)c3)no2)CC[N@H+]1Cc1ccccc1 ZINC001435379785 1064731168 /nfs/dbraw/zinc/73/11/68/1064731168.db2.gz TZVSKFZLEZJIBT-OXQOHEQNSA-N 1 1 454.368 4.887 20 0 JJADMO CC(C)CCOCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001359966981 1064742039 /nfs/dbraw/zinc/74/20/39/1064742039.db2.gz IPCREKWZPSMGAF-SMIHKQSGSA-N 1 1 461.695 4.673 20 0 JJADMO CC(C)CCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@]2(C1)C[N@H+](Cc1ccccc1)CCO2 ZINC001359968116 1064743981 /nfs/dbraw/zinc/74/39/81/1064743981.db2.gz LLGFYWBLFAWBSU-GDLZYMKVSA-N 1 1 497.728 4.801 20 0 JJADMO CC(C)CCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@]2(C1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001359968116 1064743995 /nfs/dbraw/zinc/74/39/95/1064743995.db2.gz LLGFYWBLFAWBSU-GDLZYMKVSA-N 1 1 497.728 4.801 20 0 JJADMO CC(C)CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359970788 1064746559 /nfs/dbraw/zinc/74/65/59/1064746559.db2.gz DMXWUUUGQDNLLO-HSALFYBXSA-N 1 1 464.054 4.663 20 0 JJADMO Cc1cc(I)cc(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)c1C ZINC001435426163 1064750861 /nfs/dbraw/zinc/75/08/61/1064750861.db2.gz YTWCCTMIVYVMEO-INIZCTEOSA-N 1 1 450.364 4.548 20 0 JJADMO CC(C)CN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001359973459 1064751067 /nfs/dbraw/zinc/75/10/67/1064751067.db2.gz SOUVBTXZVDIJJT-MRXNPFEDSA-N 1 1 454.482 4.982 20 0 JJADMO CC(C)CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001359980560 1064756237 /nfs/dbraw/zinc/75/62/37/1064756237.db2.gz CWYINALHZWLYMD-JOCHJYFZSA-N 1 1 466.033 4.565 20 0 JJADMO CC(C)CN(c1nnc(-c2ccccc2Br)n1CC[N@@H+]1CCOC[C@@H]1C)C1CCCC1 ZINC001359986395 1064766978 /nfs/dbraw/zinc/76/69/78/1064766978.db2.gz KUKLOIUWMQNBSG-IBGZPJMESA-N 1 1 490.490 4.833 20 0 JJADMO CC(C)CN(c1nnc(-c2ccccc2Br)n1CC[N@H+]1CCOC[C@@H]1C)C1CCCC1 ZINC001359986395 1064766993 /nfs/dbraw/zinc/76/69/93/1064766993.db2.gz KUKLOIUWMQNBSG-IBGZPJMESA-N 1 1 490.490 4.833 20 0 JJADMO CC(C)CN(c1nnc(-c2c[nH]c3ccccc23)n1CCC[N@H+]1CCCO[C@H](C)C1)C(C)C ZINC001359987157 1064768085 /nfs/dbraw/zinc/76/80/85/1064768085.db2.gz MAYKOLIGKGFOSZ-OAQYLSRUSA-N 1 1 452.647 4.798 20 0 JJADMO CC(C)CN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccccc1Cl)[NH+](C)C)C1CCCC1 ZINC001359989429 1064770219 /nfs/dbraw/zinc/77/02/19/1064770219.db2.gz LPKCVZILZAINOE-FCHUYYIVSA-N 1 1 473.065 4.591 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N(C)C[C@H]2CCCCO2)C1 ZINC001360007233 1064794693 /nfs/dbraw/zinc/79/46/93/1064794693.db2.gz ARADLRBBDIFYKC-NFBKMPQASA-N 1 1 460.066 4.972 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@H](C)C2)C1 ZINC001360007505 1064795064 /nfs/dbraw/zinc/79/50/64/1064795064.db2.gz DGJQMWADZFTCCL-NJYVYQBISA-N 1 1 476.065 4.665 20 0 JJADMO 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CC(C)[N@@H+](C)Cc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001360091841 1064959123 /nfs/dbraw/zinc/95/91/23/1064959123.db2.gz IHZLZYHDSDCKQI-QFIPXVFZSA-N 1 1 454.569 4.710 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001360092298 1064960551 /nfs/dbraw/zinc/96/05/51/1064960551.db2.gz AFQDKKUQIQWAIY-QFIPXVFZSA-N 1 1 490.737 4.779 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2nccs2)CC1 ZINC001360092458 1064961266 /nfs/dbraw/zinc/96/12/66/1064961266.db2.gz GSFLYYUFUWMXEG-UHFFFAOYSA-N 1 1 489.487 4.769 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(F)(F)Br)CC1 ZINC001360092532 1064962297 /nfs/dbraw/zinc/96/22/97/1064962297.db2.gz IZESTLOPKJGTRQ-UHFFFAOYSA-N 1 1 491.812 4.538 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(C)CCOCC2)CC1 ZINC001360092674 1064962806 /nfs/dbraw/zinc/96/28/06/1064962806.db2.gz OBJGWYAMUCDGQF-UHFFFAOYSA-N 1 1 491.627 4.920 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001435733788 1064963668 /nfs/dbraw/zinc/96/36/68/1064963668.db2.gz WECXXDFGAQCKCM-MSNJVRRCSA-N 1 1 457.659 4.542 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccccc3)n2Cc2cccc(Br)n2)CC1 ZINC001360092828 1064963756 /nfs/dbraw/zinc/96/37/56/1064963756.db2.gz URUUGJWFBWCCTI-UHFFFAOYSA-N 1 1 483.458 4.708 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2CCCc2ccnc(C(C)(C)C)n2)CC1 ZINC001360092717 1064963883 /nfs/dbraw/zinc/96/38/83/1064963883.db2.gz POMVPZFHPBZWCU-UHFFFAOYSA-N 1 1 469.722 4.853 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001435733789 1064963960 /nfs/dbraw/zinc/96/39/60/1064963960.db2.gz WECXXDFGAQCKCM-MZURWIMNSA-N 1 1 457.659 4.542 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)C1CCC1 ZINC001360092739 1064964135 /nfs/dbraw/zinc/96/41/35/1064964135.db2.gz QNZILEUDUDLEJF-ZRZAMGCNSA-N 1 1 496.700 4.926 20 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CC(C)[N@@H+](C)CC1CCN(c2nnc(C3CC3)n2Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC001360094745 1064966857 /nfs/dbraw/zinc/96/68/57/1064966857.db2.gz KXQMLGFPSJFNOD-UHFFFAOYSA-N 1 1 451.537 4.501 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCC=CO2)CC1 ZINC001360094882 1064967570 /nfs/dbraw/zinc/96/75/70/1064967570.db2.gz OIUKKSLDGDMFGX-HXUWFJFHSA-N 1 1 488.474 4.957 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cccnc3)n2CCOC2CCCCCC2)CC1 ZINC001360094978 1064967790 /nfs/dbraw/zinc/96/77/90/1064967790.db2.gz RTGWZSZUWXSELO-UHFFFAOYSA-N 1 1 454.663 4.636 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCC=CO2)CC1 ZINC001360094881 1064967964 /nfs/dbraw/zinc/96/79/64/1064967964.db2.gz OIUKKSLDGDMFGX-FQEVSTJZSA-N 1 1 488.474 4.957 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(C3CC3)n2Cc2cc(Br)cs2)CC1 ZINC001360095058 1064968248 /nfs/dbraw/zinc/96/82/48/1064968248.db2.gz VPYBXFHGFIINNN-UHFFFAOYSA-N 1 1 452.466 4.584 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2cnn(C)c2)CC1 ZINC001360095836 1064970649 /nfs/dbraw/zinc/97/06/49/1064970649.db2.gz QLGQYDZMQOEGFY-UHFFFAOYSA-N 1 1 488.105 4.562 20 0 JJADMO CCOc1nc(C(F)(F)F)ccc1C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435746753 1064970932 /nfs/dbraw/zinc/97/09/32/1064970932.db2.gz HWBDIFWQJSPXRO-SCLBCKFNSA-N 1 1 459.871 4.714 20 0 JJADMO CCOc1nc(C(F)(F)F)ccc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435746753 1064970943 /nfs/dbraw/zinc/97/09/43/1064970943.db2.gz HWBDIFWQJSPXRO-SCLBCKFNSA-N 1 1 459.871 4.714 20 0 JJADMO CCOc1nc(C(F)(F)F)ccc1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435746765 1064970981 /nfs/dbraw/zinc/97/09/81/1064970981.db2.gz HWBDIFWQJSPXRO-UGSOOPFHSA-N 1 1 459.871 4.714 20 0 JJADMO CCOc1nc(C(F)(F)F)ccc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435746765 1064970995 /nfs/dbraw/zinc/97/09/95/1064970995.db2.gz HWBDIFWQJSPXRO-UGSOOPFHSA-N 1 1 459.871 4.714 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)c2ccc(F)cc2)CC1 ZINC001360096049 1064971711 /nfs/dbraw/zinc/97/17/11/1064971711.db2.gz VTRPYQGVEAPVIU-HSZRJFAPSA-N 1 1 457.638 4.803 20 0 JJADMO C[N@H+]1CC[C@@H](CNC(=O)Cc2csc(Cc3ccccc3)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435749546 1064972879 /nfs/dbraw/zinc/97/28/79/1064972879.db2.gz NSWDWOJUALHIMO-UUOWRZLLSA-N 1 1 458.002 4.878 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(F)cc1 ZINC001360097440 1064974813 /nfs/dbraw/zinc/97/48/13/1064974813.db2.gz HWMCZOWHVRIHHR-UHFFFAOYSA-N 1 1 463.399 4.542 20 0 JJADMO Cc1cc(Br)c(CC(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC001435750004 1064974715 /nfs/dbraw/zinc/97/47/15/1064974715.db2.gz WPFBHIMJYSQTOG-ORAYPTAESA-N 1 1 459.812 4.963 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC001360097652 1064975329 /nfs/dbraw/zinc/97/53/29/1064975329.db2.gz OYWYTJSQQLBYAJ-NHCUHLMSSA-N 1 1 450.002 4.616 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]2CC[C@@H]21 ZINC001360097565 1064975582 /nfs/dbraw/zinc/97/55/82/1064975582.db2.gz LRCQVNFBUZVNSW-CVEARBPZSA-N 1 1 452.466 4.878 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccccn2)nnc1N1CCC(Nc2ccccc2Cl)CC1 ZINC001360098252 1064977396 /nfs/dbraw/zinc/97/73/96/1064977396.db2.gz MBQLYKOHWZTTFA-UHFFFAOYSA-N 1 1 468.049 4.805 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccccc2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC001360098371 1064978236 /nfs/dbraw/zinc/97/82/36/1064978236.db2.gz PNWKDDXOBPFRRW-UHFFFAOYSA-N 1 1 488.467 4.704 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccccc1Br ZINC001360100069 1064979183 /nfs/dbraw/zinc/97/91/83/1064979183.db2.gz GJANSYZEZJIBEI-HXUWFJFHSA-N 1 1 464.452 4.649 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001360099936 1064979288 /nfs/dbraw/zinc/97/92/88/1064979288.db2.gz DUEGGBHQIFKSIL-NRFANRHFSA-N 1 1 493.700 4.535 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC001360101334 1064980616 /nfs/dbraw/zinc/98/06/16/1064980616.db2.gz LIAWWZXGDZCBKJ-NRFANRHFSA-N 1 1 466.045 4.967 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC001360101224 1064981029 /nfs/dbraw/zinc/98/10/29/1064981029.db2.gz ITPSOWOARRWJFP-GOTSBHOMSA-N 1 1 474.093 4.896 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001360101409 1064981734 /nfs/dbraw/zinc/98/17/34/1064981734.db2.gz ODRKYZGYLFRLNL-UHFFFAOYSA-N 1 1 483.657 4.899 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC001360101625 1064981890 /nfs/dbraw/zinc/98/18/90/1064981890.db2.gz VHDFGJIKXZDZSY-NRFANRHFSA-N 1 1 455.647 4.869 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(Cn2ccc3ccccc32)nnc1N1CCC=C(Br)C1 ZINC001360103474 1064983137 /nfs/dbraw/zinc/98/31/37/1064983137.db2.gz NAEZVNJYIJLXFI-UHFFFAOYSA-N 1 1 471.447 4.500 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(CC2CC2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001360103482 1064983377 /nfs/dbraw/zinc/98/33/77/1064983377.db2.gz NIVWDIUCURUAGR-KRWDZBQOSA-N 1 1 470.609 4.820 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2c(Cl)cccc2C1 ZINC001360103879 1064984004 /nfs/dbraw/zinc/98/40/04/1064984004.db2.gz BKYREECVRJJERU-UHFFFAOYSA-N 1 1 477.838 4.592 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](Cc2ccccc2)C1 ZINC001360103572 1064984024 /nfs/dbraw/zinc/98/40/24/1064984024.db2.gz QVBPGNLUDYGNLL-UBFVSLLYSA-N 1 1 467.702 4.996 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(N2CCO[C@@H](C(C)(C)C)C2)nnc1C1(c2ccccc2)CCC1 ZINC001360103811 1064984368 /nfs/dbraw/zinc/98/43/68/1064984368.db2.gz YTCQSCUPIGOKFN-HSZRJFAPSA-N 1 1 453.675 4.730 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001360104225 1064984767 /nfs/dbraw/zinc/98/47/67/1064984767.db2.gz NQGZHOWJOJGFTQ-UHFFFAOYSA-N 1 1 490.343 4.886 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001360103942 1064984913 /nfs/dbraw/zinc/98/49/13/1064984913.db2.gz DYCVHKJCKBKKFW-CQSZACIVSA-N 1 1 474.369 4.668 20 0 JJADMO C[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1)c1ccc(F)cc1OC(F)F ZINC001435771568 1064985405 /nfs/dbraw/zinc/98/54/05/1064985405.db2.gz ZTXOWOPXUSDJBX-MQNAVGNWSA-N 1 1 469.507 4.915 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001360104736 1064986559 /nfs/dbraw/zinc/98/65/59/1064986559.db2.gz WLWAQWGJDWMEBT-UHFFFAOYSA-N 1 1 491.080 4.774 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CCOC2(CCCCC2)C1 ZINC001360106418 1064987192 /nfs/dbraw/zinc/98/71/92/1064987192.db2.gz CCQIYWKNBWTRHV-UHFFFAOYSA-N 1 1 476.463 4.587 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N(C)CC1CC(F)(F)C1 ZINC001360106825 1064988837 /nfs/dbraw/zinc/98/88/37/1064988837.db2.gz SNKBBDQJABHHOV-UHFFFAOYSA-N 1 1 456.379 4.529 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001360106806 1064989108 /nfs/dbraw/zinc/98/91/08/1064989108.db2.gz RVOABUSSDHRELR-UHFFFAOYSA-N 1 1 472.353 4.747 20 0 JJADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001360111113 1064992314 /nfs/dbraw/zinc/99/23/14/1064992314.db2.gz YXDMZGURSZVFTN-YTFSRNRJSA-N 1 1 488.721 4.749 20 0 JJADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 ZINC001360111111 1064992440 /nfs/dbraw/zinc/99/24/40/1064992440.db2.gz YXDMZGURSZVFTN-RJGXRXQPSA-N 1 1 488.721 4.749 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001360113269 1064994740 /nfs/dbraw/zinc/99/47/40/1064994740.db2.gz VIWWNYVNOBFADC-QHCPKHFHSA-N 1 1 471.690 4.746 20 0 JJADMO CC(C)N(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001360113450 1064995503 /nfs/dbraw/zinc/99/55/03/1064995503.db2.gz BJJAYTBFSSTNGI-UHFFFAOYSA-N 1 1 467.637 4.887 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@]2(CCSC2)C1 ZINC001360113349 1064995595 /nfs/dbraw/zinc/99/55/95/1064995595.db2.gz XTCFNWUCCCOHKL-SANMLTNESA-N 1 1 471.715 4.828 20 0 JJADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cccc(OC(F)F)c1 ZINC001360113812 1064996195 /nfs/dbraw/zinc/99/61/95/1064996195.db2.gz PLJQLEKHHJUCQY-NHCUHLMSSA-N 1 1 479.616 4.775 20 0 JJADMO CC(C)N(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001360115654 1064998319 /nfs/dbraw/zinc/99/83/19/1064998319.db2.gz FJIYTDRMQNXSJF-DEOSSOPVSA-N 1 1 464.633 4.938 20 0 JJADMO CC(C)N(Cc1ccco1)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@@H+](C)C1CCCC1 ZINC001360118755 1065005337 /nfs/dbraw/zinc/00/53/37/1065005337.db2.gz PWFRRRUTJIKHQC-UHFFFAOYSA-N 1 1 475.435 4.918 20 0 JJADMO CC(C)N(Cc1ccco1)c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001360121423 1065009823 /nfs/dbraw/zinc/00/98/23/1065009823.db2.gz TVQFXHGZPOUHKZ-UHFFFAOYSA-N 1 1 472.033 4.641 20 0 JJADMO CC(C)N(Cc1cccs1)c1nnc(Cc2ccccn2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001360123941 1065015755 /nfs/dbraw/zinc/01/57/55/1065015755.db2.gz QCSXEVOJINBTQT-JOCHJYFZSA-N 1 1 452.672 4.861 20 0 JJADMO CCCOc1c(Br)cc(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC001435853880 1065025536 /nfs/dbraw/zinc/02/55/36/1065025536.db2.gz XQCKJAMABSBIQJ-CVEARBPZSA-N 1 1 453.421 4.629 20 0 JJADMO CC(C)[N@@H+]1CCc2nc(NC(=O)CCCCOc3ccc(Br)cc3)sc2C1 ZINC001435865771 1065033163 /nfs/dbraw/zinc/03/31/63/1065033163.db2.gz MARKGEVDJHUCAW-UHFFFAOYSA-N 1 1 452.418 4.860 20 0 JJADMO CC(C)[N@H+]1CCc2nc(NC(=O)CCCCOc3ccc(Br)cc3)sc2C1 ZINC001435865771 1065033179 /nfs/dbraw/zinc/03/31/79/1065033179.db2.gz MARKGEVDJHUCAW-UHFFFAOYSA-N 1 1 452.418 4.860 20 0 JJADMO CN(C(=O)c1cc(-c2ccccn2)ccc1Cl)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001435865428 1065033387 /nfs/dbraw/zinc/03/33/87/1065033387.db2.gz MJDZDYGIRDCFGK-DQEYMECFSA-N 1 1 455.046 4.811 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2ccccc2)C1 ZINC001360139339 1065036139 /nfs/dbraw/zinc/03/61/39/1065036139.db2.gz QJECCRUJMAMZGA-IBGZPJMESA-N 1 1 471.447 4.793 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3ccccc3F)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)C1 ZINC001360140221 1065036879 /nfs/dbraw/zinc/03/68/79/1065036879.db2.gz ZMZDPPMETLRUCB-QGZVFWFLSA-N 1 1 493.553 4.593 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)C1 ZINC001360140642 1065038273 /nfs/dbraw/zinc/03/82/73/1065038273.db2.gz HZIYHPQUBYZJPA-CCLJQVCVSA-N 1 1 499.750 4.986 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(CC3CC3)nnc2N(C)CCc2ccc(Br)cc2)C1 ZINC001360140662 1065038384 /nfs/dbraw/zinc/03/83/84/1065038384.db2.gz IJSPVOLXJMBKAR-NRFANRHFSA-N 1 1 474.491 4.792 20 0 JJADMO Cc1nc(-c2ccc(C)cc2)c(CC(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)s1 ZINC001435876269 1065038821 /nfs/dbraw/zinc/03/88/21/1065038821.db2.gz SWECMRQVRLVVDD-JOCHJYFZSA-N 1 1 451.661 4.703 20 0 JJADMO Cc1nc(-c2ccc(C)cc2)c(CC(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)s1 ZINC001435876269 1065038840 /nfs/dbraw/zinc/03/88/40/1065038840.db2.gz SWECMRQVRLVVDD-JOCHJYFZSA-N 1 1 451.661 4.703 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(COc3ccc(Cl)cc3)nnc2N(C)Cc2nccs2)C1 ZINC001360141298 1065039427 /nfs/dbraw/zinc/03/94/27/1065039427.db2.gz NVQAEYSSKMIFCA-SFHVURJKSA-N 1 1 475.062 4.724 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3ccccc3F)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)C1 ZINC001360141422 1065040211 /nfs/dbraw/zinc/04/02/11/1065040211.db2.gz OXNFPARWOMXBOH-WSTZPKSXSA-N 1 1 467.555 4.763 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(Cc3ccsc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)C1 ZINC001360141590 1065040510 /nfs/dbraw/zinc/04/05/10/1065040510.db2.gz QMYJJDZFERLLRS-WSTZPKSXSA-N 1 1 451.631 4.778 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(Cc3cccnc3)nnc2N(C)Cc2ccc(Cl)s2)C1 ZINC001360142154 1065041669 /nfs/dbraw/zinc/04/16/69/1065041669.db2.gz UNKZHEIFWWNCSP-LJQANCHMSA-N 1 1 459.063 4.736 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)C[C@H]2CCCOC2)C1 ZINC001360142190 1065041842 /nfs/dbraw/zinc/04/18/42/1065041842.db2.gz UXPOFYACCWMFBV-FGZHOGPDSA-N 1 1 460.066 4.506 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@](O)(Cc3cccc(Cl)c3)C2)C1 ZINC001360142231 1065041979 /nfs/dbraw/zinc/04/19/79/1065041979.db2.gz VOTWSVOOPZPGPK-AMGIVPHBSA-N 1 1 488.120 4.824 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2CC=C(C(F)(F)F)CC2)C1 ZINC001360142465 1065042593 /nfs/dbraw/zinc/04/25/93/1065042593.db2.gz WXCLZBZMPVYROG-SFHVURJKSA-N 1 1 481.538 4.815 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@H]3CCCCO3)nnc2N(C)CCCOc2ccccc2)C1 ZINC001360142449 1065042652 /nfs/dbraw/zinc/04/26/52/1065042652.db2.gz WNEBXHAYJNMEQJ-LADGPHEKSA-N 1 1 455.647 4.545 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCC(F)(F)F)CC1 ZINC001360143655 1065044671 /nfs/dbraw/zinc/04/46/71/1065044671.db2.gz KNXGYXZGRULOEN-UHFFFAOYSA-N 1 1 461.536 4.598 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccccc3Cl)n2CC(F)(F)Br)CC1 ZINC001360144719 1065046658 /nfs/dbraw/zinc/04/66/58/1065046658.db2.gz UAFMJKCYBSTTJG-UHFFFAOYSA-N 1 1 462.770 4.507 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccccc3F)n2Cc2ccsc2Br)CC1 ZINC001360144860 1065046814 /nfs/dbraw/zinc/04/68/14/1065046814.db2.gz ZPUSGVBAGGTMOG-UHFFFAOYSA-N 1 1 478.435 4.877 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001545893973 1065048997 /nfs/dbraw/zinc/04/89/97/1065048997.db2.gz LTTJTIYUNRVJGR-OALUTQOASA-N 1 1 486.627 4.630 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(Cc3ccsc3)n2Cc2ccc(OC(F)F)cc2)CC1 ZINC001360147230 1065049343 /nfs/dbraw/zinc/04/93/43/1065049343.db2.gz NGLFDGMCKXMVEM-UHFFFAOYSA-N 1 1 461.582 4.501 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(CCc3ccccc3)n2CCC2CC(OC(C)(C)C)C2)CC1 ZINC001360146933 1065049410 /nfs/dbraw/zinc/04/94/10/1065049410.db2.gz AQTALXMZZZHVAQ-UHFFFAOYSA-N 1 1 467.702 4.968 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCSC2)CC1 ZINC001360147552 1065050097 /nfs/dbraw/zinc/05/00/97/1065050097.db2.gz ZOUSGQDCDZNJJM-NRFANRHFSA-N 1 1 471.715 4.828 20 0 JJADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)[C@@H](C)C1 ZINC001360150785 1065054654 /nfs/dbraw/zinc/05/46/54/1065054654.db2.gz LRFNWPYOXFLICR-LAUBAEHRSA-N 1 1 452.039 4.582 20 0 JJADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2sc3ccc(Br)cc3c2C)[C@H](C)C1 ZINC001360151122 1065055041 /nfs/dbraw/zinc/05/50/41/1065055041.db2.gz RXGGDJBFDXGFBY-KDOFPFPSSA-N 1 1 453.446 4.839 20 0 JJADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)[C@@H](C)C1 ZINC001360151022 1065055172 /nfs/dbraw/zinc/05/51/72/1065055172.db2.gz PSUVXLOKQQIBRT-MAUKXSAKSA-N 1 1 455.546 4.696 20 0 JJADMO CC(C)N1CC[NH+](C2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3CCCC[C@@H]3C(F)(F)F)CC2)CC1 ZINC001360156140 1065058184 /nfs/dbraw/zinc/05/81/84/1065058184.db2.gz RPNYPHKMMSQGRK-UNMCSNQZSA-N 1 1 498.682 4.939 20 0 JJADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1CC(C)(C)c1ccc(F)cc1 ZINC001360222256 1065087202 /nfs/dbraw/zinc/08/72/02/1065087202.db2.gz NFYQIJXOVGIMLA-FCHUYYIVSA-N 1 1 498.691 4.624 20 0 JJADMO Cc1csc(C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c1I ZINC001435993165 1065097683 /nfs/dbraw/zinc/09/76/83/1065097683.db2.gz BIDXHXNNPQTZKY-INIZCTEOSA-N 1 1 456.393 4.548 20 0 JJADMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC001435995114 1065098962 /nfs/dbraw/zinc/09/89/62/1065098962.db2.gz OBSKZQRGNMYMKC-QHCPKHFHSA-N 1 1 452.549 4.526 20 0 JJADMO CC(C)NC(=O)Nc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC001360304353 1065137218 /nfs/dbraw/zinc/13/72/18/1065137218.db2.gz JCQBELCDWDJBDI-UHFFFAOYSA-N 1 1 495.716 4.900 20 0 JJADMO CCc1cc(OCC(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)ccc1Cl ZINC001436063307 1065154222 /nfs/dbraw/zinc/15/42/22/1065154222.db2.gz UIBOHUGYZNPEKC-UHFFFAOYSA-N 1 1 453.970 4.717 20 0 JJADMO CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)c3ccccc3)n2CC[N@H+]2CCCC(C)(C)C2)CCOC1 ZINC001360320662 1065157287 /nfs/dbraw/zinc/15/72/87/1065157287.db2.gz DFQBWLBOTBOURB-NEKDWFFYSA-N 1 1 483.701 4.681 20 0 JJADMO CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)c3ccccc3)n2CC[N@H+]2CCCC(C)(C)C2)CCOC1 ZINC001360320660 1065157361 /nfs/dbraw/zinc/15/73/61/1065157361.db2.gz DFQBWLBOTBOURB-FIPFOOKPSA-N 1 1 483.701 4.681 20 0 JJADMO CC(C)O[C@@]1(c2nnc(N(C)C3CCCCC3)n2CCCC[N@H+]2CCCC[C@@H]2C)CCOC1 ZINC001360320873 1065157784 /nfs/dbraw/zinc/15/77/84/1065157784.db2.gz GZCILCYOSYUBEK-NVQXNPDNSA-N 1 1 461.695 4.742 20 0 JJADMO O=C(CCc1nc2cc(Br)ccc2s1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001436114034 1065189006 /nfs/dbraw/zinc/18/90/06/1065189006.db2.gz VXPNCTDMEZUIBK-QGZVFWFLSA-N 1 1 458.425 4.630 20 0 JJADMO CN(Cc1ccccc1)Cc1cccc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1 ZINC001360354726 1065203842 /nfs/dbraw/zinc/20/38/42/1065203842.db2.gz BHIABYUKMIFQJB-UHFFFAOYSA-N 1 1 451.680 4.800 20 0 JJADMO CC(C)OC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001360368131 1065227860 /nfs/dbraw/zinc/22/78/60/1065227860.db2.gz UNDMGLRPBRYQKP-GMKZXUHWSA-N 1 1 475.722 4.855 20 0 JJADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2cc(F)c(F)cc2N2CCOCC2)c1 ZINC001436191499 1065241501 /nfs/dbraw/zinc/24/15/01/1065241501.db2.gz JPHIRRGVZRBJGT-UHFFFAOYSA-N 1 1 451.517 4.686 20 0 JJADMO CCC[N@@H+](C)[C@@H](CNC(=O)c1c(C)cc(=O)n(-c2ccccc2)c1C)c1ccc(Cl)cc1 ZINC001436197206 1065244853 /nfs/dbraw/zinc/24/48/53/1065244853.db2.gz DZCMTDYKJJGVHJ-QHCPKHFHSA-N 1 1 451.998 4.921 20 0 JJADMO CC(C)OCCCn1c(-c2cccn2C)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001360386755 1065251418 /nfs/dbraw/zinc/25/14/18/1065251418.db2.gz NUXWKAWODZFKNO-ISKFKSNPSA-N 1 1 464.658 4.588 20 0 JJADMO CCn1nc(C(F)(F)F)c(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1C(F)F ZINC001436209236 1065252062 /nfs/dbraw/zinc/25/20/62/1065252062.db2.gz JZUXUVSLFOYXCV-NRFANRHFSA-N 1 1 456.459 4.598 20 0 JJADMO Cc1cc(Cl)cc(Br)c1OC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC001436233835 1065270391 /nfs/dbraw/zinc/27/03/91/1065270391.db2.gz GDOXLPKIYJZSKT-SJORKVTESA-N 1 1 454.796 4.564 20 0 JJADMO COc1ccc(-c2nc(C)c(C(=O)NC[C@@H]3CCC[N@H+]3Cc3ccccc3)s2)cc1OC ZINC001360411457 1065274501 /nfs/dbraw/zinc/27/45/01/1065274501.db2.gz ACHXOVCLFPKFPH-FQEVSTJZSA-N 1 1 451.592 4.530 20 0 JJADMO CC(C)OCC[NH+]1CCN(c2nnc(CC(C)(C)C)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001360410394 1065274535 /nfs/dbraw/zinc/27/45/35/1065274535.db2.gz MGUUDQSQMYYYNA-RBUKOAKNSA-N 1 1 459.601 4.707 20 0 JJADMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cc(-c2ccc(Br)cc2)ns1 ZINC001360412146 1065275405 /nfs/dbraw/zinc/27/54/05/1065275405.db2.gz MTNKWHGKOOFQPR-IBGZPJMESA-N 1 1 456.409 4.967 20 0 JJADMO CC(C)OCC[NH+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2ccsc2)CC1 ZINC001360413036 1065275906 /nfs/dbraw/zinc/27/59/06/1065275906.db2.gz JSQCUFDTWURJRB-UHFFFAOYSA-N 1 1 492.114 4.881 20 0 JJADMO Cc1nc(C(C)C)sc1C(=O)Nc1cc(Br)ccc1N1CC[N@@H+](C)C[C@H]1C ZINC001436259406 1065278730 /nfs/dbraw/zinc/27/87/30/1065278730.db2.gz SCISIVBXMUWAHD-CYBMUJFWSA-N 1 1 451.434 4.730 20 0 JJADMO C[C@@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1ccccc1OCC1CC1 ZINC001436259926 1065278797 /nfs/dbraw/zinc/27/87/97/1065278797.db2.gz ZYJQZAFYMNJCMI-MRXNPFEDSA-N 1 1 458.400 4.631 20 0 JJADMO CC(C)SCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001360417448 1065281434 /nfs/dbraw/zinc/28/14/34/1065281434.db2.gz WLDHPQBFCGZTOR-KRWDZBQOSA-N 1 1 482.467 4.663 20 0 JJADMO C[C@@H]1CN(C(=O)CCCCOc2ccc(Br)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001436279434 1065285323 /nfs/dbraw/zinc/28/53/23/1065285323.db2.gz MBCNRNBSORHJRH-FQEVSTJZSA-N 1 1 459.428 4.979 20 0 JJADMO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC001436281564 1065286340 /nfs/dbraw/zinc/28/63/40/1065286340.db2.gz UQTLKDHISPPFAV-SFHVURJKSA-N 1 1 454.977 4.626 20 0 JJADMO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(Cc2cccnc2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360428677 1065301459 /nfs/dbraw/zinc/30/14/59/1065301459.db2.gz NXLFLKFKGCCBQA-IBGZPJMESA-N 1 1 468.596 4.862 20 0 JJADMO C[C@H](c1cc(F)ccc1F)N(C)c1nnc([C@@H]2CCCOC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001360429372 1065304230 /nfs/dbraw/zinc/30/42/30/1065304230.db2.gz UWXLGLWDBYDKRJ-RTBURBONSA-N 1 1 461.601 4.912 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1CCc1ccc(C)cc1 ZINC001545897757 1065310382 /nfs/dbraw/zinc/31/03/82/1065310382.db2.gz GCLIBTYBBIRISA-UKILVPOCSA-N 1 1 494.728 4.838 20 0 JJADMO CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)c1ccc(O[C@@H]2CCOC2)cc1 ZINC001436429360 1065317309 /nfs/dbraw/zinc/31/73/09/1065317309.db2.gz DUJLRBDFJVTTKE-AHKZPQOWSA-N 1 1 450.623 4.660 20 0 JJADMO C[C@H](c1cccc(O)c1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001360445417 1065333091 /nfs/dbraw/zinc/33/30/91/1065333091.db2.gz BRVJHHNMACQEQN-OUVAMTEUSA-N 1 1 455.647 4.582 20 0 JJADMO C[C@H]1C[NH+](Cc2ccc(C(=O)NC3(Cc4ccccc4Br)CC3)cc2)C[C@H](C)O1 ZINC001436525706 1065343974 /nfs/dbraw/zinc/34/39/74/1065343974.db2.gz HCESIMSMHTWAEF-ROUUACIJSA-N 1 1 457.412 4.563 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCCc1cnc(SC2CCCC2)nc1 ZINC001436529497 1065346674 /nfs/dbraw/zinc/34/66/74/1065346674.db2.gz SFNASSMDFICRJF-ILBGXUMGSA-N 1 1 466.695 4.964 20 0 JJADMO CCc1nc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nn1-c1ccccc1Cl ZINC001360459511 1065361239 /nfs/dbraw/zinc/36/12/39/1065361239.db2.gz JNSFUMNJAMTYET-AZUAARDMSA-N 1 1 452.002 4.608 20 0 JJADMO C[C@H](c1cccs1)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001360460805 1065363835 /nfs/dbraw/zinc/36/38/35/1065363835.db2.gz HRGGNDLPKXFPCY-SJLPKXTDSA-N 1 1 481.651 4.549 20 0 JJADMO CCC[C@@H]1CN(C(=O)c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)CC[N@H+]1CCOC ZINC001545899528 1065367351 /nfs/dbraw/zinc/36/73/51/1065367351.db2.gz SUZOUXDNBWVEKY-LJQANCHMSA-N 1 1 451.398 4.705 20 0 JJADMO C[C@H](c1cccs1)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001360465783 1065374752 /nfs/dbraw/zinc/37/47/52/1065374752.db2.gz AHFZHDMAJIYFCL-YLJYHZDGSA-N 1 1 487.073 4.616 20 0 JJADMO C[C@H](c1cccs1)N(C)c1nnc(CC(C)(C)C)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001360466083 1065376716 /nfs/dbraw/zinc/37/67/16/1065376716.db2.gz HVCYENOCKNNKHV-OAQYLSRUSA-N 1 1 481.714 4.733 20 0 JJADMO C[C@@H](c1cccs1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@@H+]1CCOCC1(C)C ZINC001360466487 1065378668 /nfs/dbraw/zinc/37/86/68/1065378668.db2.gz MINNNCCYHVQSJX-QKNQBKEWSA-N 1 1 475.703 4.566 20 0 JJADMO C[C@@H](c1cccs1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+]1CCOCC1(C)C ZINC001360466487 1065378678 /nfs/dbraw/zinc/37/86/78/1065378678.db2.gz MINNNCCYHVQSJX-QKNQBKEWSA-N 1 1 475.703 4.566 20 0 JJADMO C[C@H](c1cccs1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@@H+]1CCOCC1(C)C ZINC001360466488 1065378752 /nfs/dbraw/zinc/37/87/52/1065378752.db2.gz MINNNCCYHVQSJX-SFHLNBCPSA-N 1 1 475.703 4.566 20 0 JJADMO C[C@H](c1cccs1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+]1CCOCC1(C)C ZINC001360466488 1065378758 /nfs/dbraw/zinc/37/87/58/1065378758.db2.gz MINNNCCYHVQSJX-SFHLNBCPSA-N 1 1 475.703 4.566 20 0 JJADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(C3CCC3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001360467121 1065380826 /nfs/dbraw/zinc/38/08/26/1065380826.db2.gz SKUZPAWELKUWLN-LJQANCHMSA-N 1 1 488.702 4.747 20 0 JJADMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(C3CCC3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001360467120 1065380980 /nfs/dbraw/zinc/38/09/80/1065380980.db2.gz SKUZPAWELKUWLN-IBGZPJMESA-N 1 1 488.702 4.747 20 0 JJADMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC(C)(C)O)CC1 ZINC001360467255 1065381100 /nfs/dbraw/zinc/38/11/00/1065381100.db2.gz UBBNOHRNUNVZFJ-INIZCTEOSA-N 1 1 478.037 4.843 20 0 JJADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(CC(C)(C)C)n2Cc2nccc(C(F)F)n2)CC1 ZINC001360467437 1065381822 /nfs/dbraw/zinc/38/18/22/1065381822.db2.gz OKUSLZOTQZVHNR-MRXNPFEDSA-N 1 1 475.613 4.587 20 0 JJADMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@](C)(O)c2ccccc2)CC1 ZINC001360467960 1065383010 /nfs/dbraw/zinc/38/30/10/1065383010.db2.gz VOERIZLRPPXVGK-FNZWTVRRSA-N 1 1 467.683 4.719 20 0 JJADMO CC(=O)c1ccc(OCCCC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1 ZINC001436632424 1065408899 /nfs/dbraw/zinc/40/88/99/1065408899.db2.gz YRGYKGJHFMRZCO-WUFINQPMSA-N 1 1 474.576 4.972 20 0 JJADMO C[C@@H](Cc1cccs1)Cn1c(C2CCCC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001360502055 1065426643 /nfs/dbraw/zinc/42/66/43/1065426643.db2.gz XDTJMQCSHPPKPA-FQEVSTJZSA-N 1 1 459.704 4.671 20 0 JJADMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)nc(Oc3ccc(Br)cc3)c2)C1 ZINC001436714736 1065427627 /nfs/dbraw/zinc/42/76/27/1065427627.db2.gz JHGXZISHOSJLKZ-INIZCTEOSA-N 1 1 452.780 4.845 20 0 JJADMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)nc(Oc3ccc(Br)cc3)c2)C1 ZINC001436714739 1065428490 /nfs/dbraw/zinc/42/84/90/1065428490.db2.gz JHGXZISHOSJLKZ-MRXNPFEDSA-N 1 1 452.780 4.845 20 0 JJADMO O=C(Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360503719 1065433255 /nfs/dbraw/zinc/43/32/55/1065433255.db2.gz PETAXNXELDTYCV-HXUWFJFHSA-N 1 1 457.452 4.732 20 0 JJADMO O=C(Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360503719 1065433264 /nfs/dbraw/zinc/43/32/64/1065433264.db2.gz PETAXNXELDTYCV-HXUWFJFHSA-N 1 1 457.452 4.732 20 0 JJADMO C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001360505057 1065439037 /nfs/dbraw/zinc/43/90/37/1065439037.db2.gz GWXHPACTRXFUNQ-LDTXMFMOSA-N 1 1 483.701 4.843 20 0 JJADMO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001360505056 1065439236 /nfs/dbraw/zinc/43/92/36/1065439236.db2.gz GWXHPACTRXFUNQ-GQUJEBGOSA-N 1 1 483.701 4.843 20 0 JJADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)COc1c(Cl)cc(Cl)cc1Cl ZINC001436849064 1065452620 /nfs/dbraw/zinc/45/26/20/1065452620.db2.gz VMAXSBUUISVLAX-OXQOHEQNSA-N 1 1 471.812 4.679 20 0 JJADMO C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(C2CCCC2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001360516319 1065476526 /nfs/dbraw/zinc/47/65/26/1065476526.db2.gz QQUCUYGHJCVIDH-OAQYLSRUSA-N 1 1 488.721 4.893 20 0 JJADMO C[C@@H](CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC[N@H+]1CCC[C@@H]1C)c1nccs1 ZINC001360519287 1065485153 /nfs/dbraw/zinc/48/51/53/1065485153.db2.gz KKEYTXINBJIARR-IRXDYDNUSA-N 1 1 476.597 4.727 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2cccs2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545903624 1065485377 /nfs/dbraw/zinc/48/53/77/1065485377.db2.gz DZBSOWRNLNZDDM-VWPQPMDRSA-N 1 1 486.730 4.968 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccc(C)o2)n1CC[N@@H+](C)C1CCCCC1 ZINC001545903608 1065485397 /nfs/dbraw/zinc/48/53/97/1065485397.db2.gz DSCFSQZBTWROOQ-QFIPXVFZSA-N 1 1 470.662 4.704 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccsc2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001545903768 1065490933 /nfs/dbraw/zinc/49/09/33/1065490933.db2.gz HXSDVJRUQDBAFN-UGKGYDQZSA-N 1 1 472.703 4.864 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2cccs2)n1CC[N@@H+](C)C1CCCCC1 ZINC001545903810 1065492066 /nfs/dbraw/zinc/49/20/66/1065492066.db2.gz INBJDEHAAYBUJE-OAQYLSRUSA-N 1 1 472.703 4.864 20 0 JJADMO C[C@@H](CN(C)c1nnc(-c2ccccc2Br)n1CC[N@@H+]1CC=CCC1)c1nccs1 ZINC001360520507 1065493022 /nfs/dbraw/zinc/49/30/22/1065493022.db2.gz HZPPCPRNPWGINJ-KRWDZBQOSA-N 1 1 487.471 4.666 20 0 JJADMO C[C@H](CN(C)c1nnc(-c2ccccc2Br)n1CC[N@@H+]1CC=CCC1)c1nccs1 ZINC001360520508 1065493074 /nfs/dbraw/zinc/49/30/74/1065493074.db2.gz HZPPCPRNPWGINJ-QGZVFWFLSA-N 1 1 487.471 4.666 20 0 JJADMO C[C@@H](CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC[N@@H+]1CCOC(C)(C)C1)c1nccs1 ZINC001360521751 1065497432 /nfs/dbraw/zinc/49/74/32/1065497432.db2.gz ZCVQGZPEHJLCIO-INIZCTEOSA-N 1 1 493.052 4.545 20 0 JJADMO C[C@@H](CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC[N@H+]1CCOC(C)(C)C1)c1nccs1 ZINC001360521751 1065497440 /nfs/dbraw/zinc/49/74/40/1065497440.db2.gz ZCVQGZPEHJLCIO-INIZCTEOSA-N 1 1 493.052 4.545 20 0 JJADMO COc1ccc(CC[C@@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC001360524213 1065499075 /nfs/dbraw/zinc/49/90/75/1065499075.db2.gz WCJQOISFBDQPDD-DQEYMECFSA-N 1 1 450.623 4.930 20 0 JJADMO C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001360541012 1065526857 /nfs/dbraw/zinc/52/68/57/1065526857.db2.gz KSZVWYIYRRRVAH-HXUWFJFHSA-N 1 1 496.700 4.782 20 0 JJADMO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001437278212 1065528918 /nfs/dbraw/zinc/52/89/18/1065528918.db2.gz OXTCZSYWZQOFIJ-VFNWGFHPSA-N 1 1 451.792 4.651 20 0 JJADMO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccc(OC(F)F)c1)[N@@H+](C)C1CC1 ZINC001360542150 1065530794 /nfs/dbraw/zinc/53/07/94/1065530794.db2.gz RMPILWLIYFCIJR-OAHLLOKOSA-N 1 1 476.959 4.714 20 0 JJADMO C[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C)C(C)(C)C1)[NH+]1CCOCC1 ZINC001360542124 1065530847 /nfs/dbraw/zinc/53/08/47/1065530847.db2.gz XSTFQIHPAALWTF-DLBZAZTESA-N 1 1 466.457 4.845 20 0 JJADMO C[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC[N@H+](C(C)(C)C)CC1)N(C)C(=O)OC(C)(C)C ZINC001360544282 1065533236 /nfs/dbraw/zinc/53/32/36/1065533236.db2.gz FUQQVMSKOVPQGI-LJQANCHMSA-N 1 1 488.652 4.650 20 0 JJADMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC001437313285 1065535493 /nfs/dbraw/zinc/53/54/93/1065535493.db2.gz HVMNDPIUGIWALR-LXGFNABISA-N 1 1 457.412 4.825 20 0 JJADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NC3(c4ccccc4Br)CCC3)cc2)C[C@@H](C)O1 ZINC001437319582 1065536730 /nfs/dbraw/zinc/53/67/30/1065536730.db2.gz LHFJHPYBSABTOW-QZTJIDSGSA-N 1 1 457.412 4.868 20 0 JJADMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Cc1c(F)ccc(Br)c1F ZINC001437319410 1065536858 /nfs/dbraw/zinc/53/68/58/1065536858.db2.gz QQYWSNUHUHOMOX-HRCADAONSA-N 1 1 451.355 4.780 20 0 JJADMO CCCCCCOc1ccc(CC(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001437368944 1065543580 /nfs/dbraw/zinc/54/35/80/1065543580.db2.gz BPXFWGJYGOKSGJ-SVBPBHIXSA-N 1 1 450.623 4.690 20 0 JJADMO CN1CC[NH+](CCCOc2ccc(NC(=O)C3(c4cccc(Cl)c4)CCCC3)cc2)CC1 ZINC001437385791 1065546019 /nfs/dbraw/zinc/54/60/19/1065546019.db2.gz PMXGGMCEGCMCLR-UHFFFAOYSA-N 1 1 456.030 4.807 20 0 JJADMO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)C1CCCCC1 ZINC001437411502 1065547904 /nfs/dbraw/zinc/54/79/04/1065547904.db2.gz PPITXCLFRKDJIY-NRFANRHFSA-N 1 1 454.442 4.759 20 0 JJADMO C[C@H](Cn1c(C2CCCC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360560278 1065550446 /nfs/dbraw/zinc/55/04/46/1065550446.db2.gz UIPPYTWSDYIXLI-ZJSXRUAMSA-N 1 1 496.700 4.902 20 0 JJADMO C[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC001360562904 1065553199 /nfs/dbraw/zinc/55/31/99/1065553199.db2.gz GFOBLEUNEQEZMW-FGZHOGPDSA-N 1 1 496.700 4.902 20 0 JJADMO C[C@@H](Cn1c(CC2CCCC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC001360578910 1065574635 /nfs/dbraw/zinc/57/46/35/1065574635.db2.gz OARUJAQAGDUUBC-SFTDATJTSA-N 1 1 492.634 4.604 20 0 JJADMO C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H]1CCCOC1)[N@@H+](C)C1CC1 ZINC001360583619 1065581940 /nfs/dbraw/zinc/58/19/40/1065581940.db2.gz HBJLRUXETZPCKY-LEWJYISDSA-N 1 1 469.674 4.500 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](C)C2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001545907907 1065582236 /nfs/dbraw/zinc/58/22/36/1065582236.db2.gz UCIHDRYZUUFWQQ-IRLDBZIGSA-N 1 1 470.662 4.643 20 0 JJADMO C[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(F)(F)CC1)[N@@H+](C)C1CC1 ZINC001360583723 1065582366 /nfs/dbraw/zinc/58/23/66/1065582366.db2.gz IMSUQJXCDLCZNF-AWEZNQCLSA-N 1 1 474.383 4.882 20 0 JJADMO C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)c1nccs1 ZINC001360584334 1065584202 /nfs/dbraw/zinc/58/42/02/1065584202.db2.gz VPAKXOGQUOOXFA-SFHVURJKSA-N 1 1 472.634 4.567 20 0 JJADMO C[C@H](Cn1c(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)nnc1C(C)(C)C)[N@@H+](C)C1CC1 ZINC001360587936 1065590366 /nfs/dbraw/zinc/59/03/66/1065590366.db2.gz VFSGBGCKPYUHAR-OXQOHEQNSA-N 1 1 465.564 4.655 20 0 JJADMO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cc(F)cc(F)c1)[N@@H+](C)C1CC1 ZINC001360590613 1065596220 /nfs/dbraw/zinc/59/62/20/1065596220.db2.gz MZRHPGNHYUVMIV-NPFVIJTESA-N 1 1 461.601 4.594 20 0 JJADMO C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cc(F)cc(F)c1)[N@@H+](C)C1CC1 ZINC001360590612 1065596238 /nfs/dbraw/zinc/59/62/38/1065596238.db2.gz MZRHPGNHYUVMIV-KNXBSLHKSA-N 1 1 461.601 4.594 20 0 JJADMO C[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC001360606848 1065632463 /nfs/dbraw/zinc/63/24/63/1065632463.db2.gz RPGGGZSNPFAAFY-AABGKKOBSA-N 1 1 478.106 4.674 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCC/C=C/c3ccc(Br)cc3)cc2)C[C@H](C)O1 ZINC001438016836 1065650822 /nfs/dbraw/zinc/65/08/22/1065650822.db2.gz PFGKTYWMSMZSCN-RILLWELWSA-N 1 1 457.412 4.892 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCC/C=C/c3ccc(Br)cc3)cc2)C[C@H](C)O1 ZINC001438016836 1065650826 /nfs/dbraw/zinc/65/08/26/1065650826.db2.gz PFGKTYWMSMZSCN-RILLWELWSA-N 1 1 457.412 4.892 20 0 JJADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NCC/C=C/c3ccc(Br)cc3)cc2)C[C@@H](C)O1 ZINC001438016823 1065650845 /nfs/dbraw/zinc/65/08/45/1065650845.db2.gz PFGKTYWMSMZSCN-BWTKPXILSA-N 1 1 457.412 4.892 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001438021698 1065652373 /nfs/dbraw/zinc/65/23/73/1065652373.db2.gz GMQYKSKUZUEOJJ-PVIBPIFHSA-N 1 1 469.670 4.687 20 0 JJADMO C[C@H](CNC(=O)OC(C)(C)C)Cn1c(CC(C)(C)C)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001360612669 1065654251 /nfs/dbraw/zinc/65/42/51/1065654251.db2.gz WYSLDUDPUCSVGY-JOCHJYFZSA-N 1 1 498.716 4.740 20 0 JJADMO C[C@@H](COCc1ccccc1)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001360613828 1065658604 /nfs/dbraw/zinc/65/86/04/1065658604.db2.gz IAOZQAQQFORXED-VWNXMTODSA-N 1 1 469.674 4.683 20 0 JJADMO COC[C@H](C)Oc1ccc(COC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001438081094 1065666480 /nfs/dbraw/zinc/66/64/80/1065666480.db2.gz YKIHHBYTBYJYKH-FDDCHVKYSA-N 1 1 451.485 4.598 20 0 JJADMO C[C@H](N1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[N@@H+](C)C2CCCC2)CC1)C(F)(F)F ZINC001360633019 1065686571 /nfs/dbraw/zinc/68/65/71/1065686571.db2.gz XQFUZXCFQCJWNR-KRWDZBQOSA-N 1 1 484.998 4.546 20 0 JJADMO C[C@H](N1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@@H+](C)C2CCCCC2)CC1)C(F)(F)F ZINC001360633194 1065687325 /nfs/dbraw/zinc/68/73/25/1065687325.db2.gz ZUFGMLZBXHJGMI-SFHVURJKSA-N 1 1 499.025 4.936 20 0 JJADMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCC[N@H+]2CCCC[C@H]2C)C1 ZINC001360636921 1065696737 /nfs/dbraw/zinc/69/67/37/1065696737.db2.gz NQPFSTVSFLXJKB-FSSWDIPSSA-N 1 1 490.737 4.970 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(CC2CCCC2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360638999 1065705821 /nfs/dbraw/zinc/70/58/21/1065705821.db2.gz MCPMQDFFMLBBEM-GGAORHGYSA-N 1 1 490.737 4.871 20 0 JJADMO CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001438322659 1065709361 /nfs/dbraw/zinc/70/93/61/1065709361.db2.gz AQWGCXWDNISVCK-SKBVVQJISA-N 1 1 462.565 4.776 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC001438334024 1065710739 /nfs/dbraw/zinc/71/07/39/1065710739.db2.gz RXBAHDQESBGHIF-PBHICJAKSA-N 1 1 455.318 4.966 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)[C@@H](C[C@H]2CCCO2)C(F)(F)F)cc1 ZINC001438334624 1065711240 /nfs/dbraw/zinc/71/12/40/1065711240.db2.gz MGDLYNSQUUSVFF-UEQSERJNSA-N 1 1 476.539 4.527 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)[C@@H](c2cccc(Cl)c2)N(C)C)cc1 ZINC001438334764 1065711448 /nfs/dbraw/zinc/71/14/48/1065711448.db2.gz MUKRLEFAZVMPBQ-OYUWMTPXSA-N 1 1 478.036 4.736 20 0 JJADMO C[C@@H](Cn1c(C2CC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001360641103 1065712602 /nfs/dbraw/zinc/71/26/02/1065712602.db2.gz CVJGGWVSQXGVRK-SFTDATJTSA-N 1 1 496.700 4.806 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)CSc2ccc(F)c(F)c2)cc1 ZINC001438342765 1065712891 /nfs/dbraw/zinc/71/28/91/1065712891.db2.gz VFJVUSAWFOHQHL-WIOPSUGQSA-N 1 1 468.569 4.850 20 0 JJADMO CCOc1ccccc1C(F)(F)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001438343245 1065712987 /nfs/dbraw/zinc/71/29/87/1065712987.db2.gz WDDOLKHETQXMJG-UKILVPOCSA-N 1 1 480.555 4.970 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(C2CC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360641640 1065714316 /nfs/dbraw/zinc/71/43/16/1065714316.db2.gz LDEZNNVMLDWBQD-RBBKRZOGSA-N 1 1 496.700 4.784 20 0 JJADMO C[NH+]1CCN(c2ccc(NC(=O)C3(c4cccc(OC(F)(F)F)c4)CC3)cc2Cl)CC1 ZINC001360644022 1065718456 /nfs/dbraw/zinc/71/84/56/1065718456.db2.gz KKUUHYIAMNRHMJ-UHFFFAOYSA-N 1 1 453.892 4.661 20 0 JJADMO CN(C(=O)c1ccc(NC(=O)/C=C/c2ccsc2C(F)(F)F)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001360658705 1065727539 /nfs/dbraw/zinc/72/75/39/1065727539.db2.gz OAQRNNLEMHBARL-RUJXFNLJSA-N 1 1 451.514 4.585 20 0 JJADMO CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001360658755 1065727675 /nfs/dbraw/zinc/72/76/75/1065727675.db2.gz PEHVVUGLJLIJSY-FYYLOGMGSA-N 1 1 458.002 4.548 20 0 JJADMO Cc1nc(COc2ccc(F)cc2)sc1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001438565373 1065731751 /nfs/dbraw/zinc/73/17/51/1065731751.db2.gz NWXUKYYWIUHRMU-OAQYLSRUSA-N 1 1 453.583 4.954 20 0 JJADMO O=C(CCc1nc2cc(Br)ccc2s1)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001438583154 1065734174 /nfs/dbraw/zinc/73/41/74/1065734174.db2.gz RCNYEBWSBYTCKP-QGZVFWFLSA-N 1 1 450.446 4.905 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1C[C@@H]1CCC(F)(F)C1 ZINC001545917064 1065734301 /nfs/dbraw/zinc/73/43/01/1065734301.db2.gz WETQKZUTYYNDIG-ZWKOTPCHSA-N 1 1 494.656 4.577 20 0 JJADMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1cnc(Nc2ccccc2)nc1C(F)(F)F ZINC001360682261 1065735167 /nfs/dbraw/zinc/73/51/67/1065735167.db2.gz QZMPXRWPQDJNRS-LJQANCHMSA-N 1 1 455.484 4.633 20 0 JJADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cnc(SC)n1-c1ccc(F)cc1 ZINC001360706662 1065742622 /nfs/dbraw/zinc/74/26/22/1065742622.db2.gz KSMABDHXNODMBK-FQEVSTJZSA-N 1 1 452.599 4.718 20 0 JJADMO CCc1ccc(Br)cc1C(=O)N1CC[C@]2(C1)C[N@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC001438863514 1065759583 /nfs/dbraw/zinc/75/95/83/1065759583.db2.gz PVQYKQXZXOGZJD-HOYKHHGWSA-N 1 1 457.412 4.517 20 0 JJADMO CCc1ccc(Br)cc1C(=O)N1CC[C@]2(C1)C[N@@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC001438863514 1065759596 /nfs/dbraw/zinc/75/95/96/1065759596.db2.gz PVQYKQXZXOGZJD-HOYKHHGWSA-N 1 1 457.412 4.517 20 0 JJADMO CCc1c(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nnn1-c1cccc(Cl)c1 ZINC001360735896 1065763943 /nfs/dbraw/zinc/76/39/43/1065763943.db2.gz ZJEQEXNOQJZVOU-NQIIRXRSSA-N 1 1 452.002 4.608 20 0 JJADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2cc(Cl)ccn2)n1CC[N@@H+]1CC=CCC1 ZINC001360738672 1065769108 /nfs/dbraw/zinc/76/91/08/1065769108.db2.gz RLUAGBVBJGOTFI-GOSISDBHSA-N 1 1 470.980 4.504 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@H]2COc3ccc(Br)cc32)CCCCC1 ZINC001439096801 1065784668 /nfs/dbraw/zinc/78/46/68/1065784668.db2.gz MDOLEEAKOKXPKI-NRFANRHFSA-N 1 1 457.412 4.876 20 0 JJADMO CC[C@@H](C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCOCC1)c1ccc(Br)cc1 ZINC001439120432 1065790120 /nfs/dbraw/zinc/79/01/20/1065790120.db2.gz CMNQVBNMXCZUIN-JOCHJYFZSA-N 1 1 459.428 4.740 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)CCOc2cc(Cl)ccc2Cl)CCOCC1 ZINC001439134393 1065791462 /nfs/dbraw/zinc/79/14/62/1065791462.db2.gz YCWILCKPWJNUIC-UHFFFAOYSA-N 1 1 451.394 4.560 20 0 JJADMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC001439269788 1065807029 /nfs/dbraw/zinc/80/70/29/1065807029.db2.gz MCPHXQGUSLWYSA-FCGDIQPGSA-N 1 1 472.429 4.868 20 0 JJADMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC001439269788 1065807038 /nfs/dbraw/zinc/80/70/38/1065807038.db2.gz MCPHXQGUSLWYSA-FCGDIQPGSA-N 1 1 472.429 4.868 20 0 JJADMO C[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC(C)(C)OC[C@@H]1C)[N@@H+](C)C1CC1 ZINC001360756038 1065812039 /nfs/dbraw/zinc/81/20/39/1065812039.db2.gz NHRTYFJMLRSXMW-SQNIBIBYSA-N 1 1 462.038 4.558 20 0 JJADMO C[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC(C)(C)OC[C@@H]1C)[N@@H+](C)C1CC1 ZINC001360756036 1065812182 /nfs/dbraw/zinc/81/21/82/1065812182.db2.gz NHRTYFJMLRSXMW-FGTMMUONSA-N 1 1 462.038 4.558 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCC(C)(C)O)CC1 ZINC001360757512 1065819330 /nfs/dbraw/zinc/81/93/30/1065819330.db2.gz CPQTZAYNQDTZSP-LJQANCHMSA-N 1 1 478.081 4.789 20 0 JJADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2cccc(-c3cccc(Br)c3)c2)cn1 ZINC001439601970 1065846683 /nfs/dbraw/zinc/84/66/83/1065846683.db2.gz WHVBABQOCUBHMY-VXKWHMMOSA-N 1 1 453.384 4.524 20 0 JJADMO C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccccn2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001360765328 1065849954 /nfs/dbraw/zinc/84/99/54/1065849954.db2.gz PJFCIXWIIWSWKE-LEWJYISDSA-N 1 1 466.605 4.853 20 0 JJADMO C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@@H]2CCCCO2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001360765558 1065850368 /nfs/dbraw/zinc/85/03/68/1065850368.db2.gz TWFYLAWXFFCFDS-FKBYEOEOSA-N 1 1 473.637 4.827 20 0 JJADMO C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCOC(C)(C)C)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001360767948 1065857431 /nfs/dbraw/zinc/85/74/31/1065857431.db2.gz WCSUIHPWCLKIPR-MOPGFXCFSA-N 1 1 470.593 4.583 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CCSC2)CC1 ZINC001360769718 1065863168 /nfs/dbraw/zinc/86/31/68/1065863168.db2.gz MLXDJFFBMHQPKM-CTNGQTDRSA-N 1 1 475.678 4.867 20 0 JJADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CCOC(C)(C)C ZINC001360773511 1065871566 /nfs/dbraw/zinc/87/15/66/1065871566.db2.gz JFPXRVVPDWQBHW-LJQANCHMSA-N 1 1 487.645 4.756 20 0 JJADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001360774476 1065873189 /nfs/dbraw/zinc/87/31/89/1065873189.db2.gz NJXGVQUMAKFLSE-BZSNNMDCSA-N 1 1 469.527 4.820 20 0 JJADMO O=C(NCc1ccc(Br)cc1F)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001439944100 1065895361 /nfs/dbraw/zinc/89/53/61/1065895361.db2.gz VCQLHRQUGAVCNM-LJQANCHMSA-N 1 1 459.281 4.659 20 0 JJADMO CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001440048069 1065906595 /nfs/dbraw/zinc/90/65/95/1065906595.db2.gz RZEPJQFGWIOPLN-LGTXBLIGSA-N 1 1 477.649 4.744 20 0 JJADMO CC(=O)N(Cc1ccc(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1)C1CC1 ZINC001360799533 1065910567 /nfs/dbraw/zinc/91/05/67/1065910567.db2.gz GJRCUJKWLWIMOL-DEOSSOPVSA-N 1 1 459.512 4.591 20 0 JJADMO CC1(C)CCC[N@@H+](CCn2c(-c3ccccc3F)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)C1 ZINC001360808516 1065921440 /nfs/dbraw/zinc/92/14/40/1065921440.db2.gz OASAFXBEKGQROV-GOSISDBHSA-N 1 1 483.554 4.754 20 0 JJADMO COc1ccc(Br)cc1C1(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001440374548 1065934276 /nfs/dbraw/zinc/93/42/76/1065934276.db2.gz MEWLVDLWFJZWSS-GOSISDBHSA-N 1 1 451.792 4.562 20 0 JJADMO CC(C)(C)c1nnc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001360830233 1065942915 /nfs/dbraw/zinc/94/29/15/1065942915.db2.gz IBZXTQHZEZXRDK-HXUWFJFHSA-N 1 1 496.483 4.571 20 0 JJADMO CC(C)(C)c1nnc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001360830233 1065942924 /nfs/dbraw/zinc/94/29/24/1065942924.db2.gz IBZXTQHZEZXRDK-HXUWFJFHSA-N 1 1 496.483 4.571 20 0 JJADMO CC(C)(C)OC(=O)N1CCc2sc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)cc2C1 ZINC001440548893 1065948255 /nfs/dbraw/zinc/94/82/55/1065948255.db2.gz ZLFNVBOZDVSWSL-GOSISDBHSA-N 1 1 459.612 4.591 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC2(C)CC2)C1 ZINC001360838209 1065949000 /nfs/dbraw/zinc/94/90/00/1065949000.db2.gz GGRRBGWOONVPKP-HXUWFJFHSA-N 1 1 474.694 4.503 20 0 JJADMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001440635090 1065956032 /nfs/dbraw/zinc/95/60/32/1065956032.db2.gz IAIKTTRTPRBWOE-RADWXHQJSA-N 1 1 452.014 4.548 20 0 JJADMO CC1=C(Br)CN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001360850414 1065960704 /nfs/dbraw/zinc/96/07/04/1065960704.db2.gz CTKNRMCXPGYCNL-MSOLQXFVSA-N 1 1 492.437 4.921 20 0 JJADMO COc1ccccc1CC(C)(C)C(=O)NN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC001440677092 1065963632 /nfs/dbraw/zinc/96/36/32/1065963632.db2.gz BSBUFBUSOXAWMA-UHFFFAOYSA-N 1 1 457.618 4.702 20 0 JJADMO CN(C)[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1)c1cccc(F)c1 ZINC001440677935 1065963933 /nfs/dbraw/zinc/96/39/33/1065963933.db2.gz VOOZFNZQGUXKMT-SMIHKQSGSA-N 1 1 451.611 4.522 20 0 JJADMO CN(C)[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1)c1cccc(F)c1 ZINC001440677935 1065963946 /nfs/dbraw/zinc/96/39/46/1065963946.db2.gz VOOZFNZQGUXKMT-SMIHKQSGSA-N 1 1 451.611 4.522 20 0 JJADMO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)Nc2ccc(COc3ccc(Br)cc3)cc2)n[nH]1 ZINC001440703294 1065968080 /nfs/dbraw/zinc/96/80/80/1065968080.db2.gz FXSBWJGMTSVJAR-OAQYLSRUSA-N 1 1 455.356 4.770 20 0 JJADMO C[N@H+]1CCC[C@@H]1c1cc(C(=O)Nc2ccc(COc3ccc(Br)cc3)cc2)n[nH]1 ZINC001440703294 1065968089 /nfs/dbraw/zinc/96/80/89/1065968089.db2.gz FXSBWJGMTSVJAR-OAQYLSRUSA-N 1 1 455.356 4.770 20 0 JJADMO Cc1cccc(-c2nnc(N3CCC(C)=C(Br)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC001360853236 1065968973 /nfs/dbraw/zinc/96/89/73/1065968973.db2.gz HHKQZFFBFFWREU-HXUWFJFHSA-N 1 1 473.463 4.648 20 0 JJADMO CC1=C(Br)CN(c2nnc(Cc3ccsc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001360853841 1065971260 /nfs/dbraw/zinc/97/12/60/1065971260.db2.gz LCLKWCHSSHDZJV-IBGZPJMESA-N 1 1 478.504 4.930 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC001440729588 1065971597 /nfs/dbraw/zinc/97/15/97/1065971597.db2.gz VLMHOPLVPHRHAB-QFIPXVFZSA-N 1 1 458.002 4.640 20 0 JJADMO CC1=C(Br)CN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001360854522 1065974015 /nfs/dbraw/zinc/97/40/15/1065974015.db2.gz YAGJQGNSMCUJTH-UHFFFAOYSA-N 1 1 452.485 4.868 20 0 JJADMO CCC(CC)[C@@H](CNC(=O)[C@@H](C)Sc1ccnc2cc(Cl)ccc21)[NH+]1CCOCC1 ZINC001440796237 1065979966 /nfs/dbraw/zinc/97/99/66/1065979966.db2.gz INHWNXUVJJVLOA-IIBYNOLFSA-N 1 1 450.048 4.622 20 0 JJADMO Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCCCC[C@H]3NC(=O)OC(C)(C)C)CC2)cc1 ZINC001440865552 1065984745 /nfs/dbraw/zinc/98/47/45/1065984745.db2.gz PXIOVQXZFNMKIA-BJKOFHAPSA-N 1 1 457.659 4.893 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H]3CCOC3)n2CCC[N@H+]2CCCC[C@@H]2C)c1C ZINC001360865569 1065984684 /nfs/dbraw/zinc/98/46/84/1065984684.db2.gz DOGLSTUGQDJICA-MDNUFGMLSA-N 1 1 455.647 4.525 20 0 JJADMO Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC[N@H+]1CCC[C@H]1C ZINC001360865818 1065985842 /nfs/dbraw/zinc/98/58/42/1065985842.db2.gz JAFBEOWIKRJODG-AUSIDOKSSA-N 1 1 479.673 4.506 20 0 JJADMO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC001440870819 1065986173 /nfs/dbraw/zinc/98/61/73/1065986173.db2.gz KYYQBVVMLXVZTH-MRXNPFEDSA-N 1 1 451.792 4.604 20 0 JJADMO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC001440870819 1065986185 /nfs/dbraw/zinc/98/61/85/1065986185.db2.gz KYYQBVVMLXVZTH-MRXNPFEDSA-N 1 1 451.792 4.604 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H]1CCSC1 ZINC001360866125 1065987511 /nfs/dbraw/zinc/98/75/11/1065987511.db2.gz NDQVXQGLKWMGLA-UNMCSNQZSA-N 1 1 468.671 4.962 20 0 JJADMO Cc1noc(C)c1CN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001360866681 1065989923 /nfs/dbraw/zinc/98/99/23/1065989923.db2.gz XGNCTUMAEYJEBO-UWJYYQICSA-N 1 1 466.630 4.759 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H](C)c3ccco3)n2CCC[NH+]2CCOCC2)c1C ZINC001360866805 1065990353 /nfs/dbraw/zinc/99/03/53/1065990353.db2.gz YYDZSEITFVAFLN-FGZHOGPDSA-N 1 1 467.614 4.548 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H](C)c3ccco3)n2CCC[NH+]2CCOCC2)c1C ZINC001360866803 1065990416 /nfs/dbraw/zinc/99/04/16/1065990416.db2.gz YYDZSEITFVAFLN-FCHUYYIVSA-N 1 1 467.614 4.548 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccoc3)n2CC[N@H+]2CCC[C@@H](C)C2)c1C ZINC001360868328 1065991671 /nfs/dbraw/zinc/99/16/71/1065991671.db2.gz BFWQRGVXFFYIPN-DENIHFKCSA-N 1 1 451.615 4.996 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3cnn(C)c3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)c1C ZINC001360868369 1065991756 /nfs/dbraw/zinc/99/17/56/1065991756.db2.gz CJOBCKPUCIRJEL-ZEQRLZLVSA-N 1 1 493.700 4.773 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)CCC3CCOCC3)n2CC[N@H+]2CCC[C@H]2C)c1C ZINC001360868632 1065992829 /nfs/dbraw/zinc/99/28/29/1065992829.db2.gz JGIIIPAOAJOXAZ-FYYLOGMGSA-N 1 1 469.674 4.772 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)CCC3CCOCC3)n2CC[N@H+]2CCC[C@@H]2C)c1C ZINC001360868634 1065992865 /nfs/dbraw/zinc/99/28/65/1065992865.db2.gz JGIIIPAOAJOXAZ-GMAHTHKFSA-N 1 1 469.674 4.772 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3cnccn3)n2C[C@H]2CCC[N@H+](C(C)C)C2)c1C ZINC001360869084 1065996007 /nfs/dbraw/zinc/99/60/07/1065996007.db2.gz MAKIQCLFFKSXQQ-GOTSBHOMSA-N 1 1 477.657 4.582 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ncc(Cl)n3C)n2CC[N@H+]2CCC[C@@H]2C)c1C ZINC001360869365 1065997445 /nfs/dbraw/zinc/99/74/45/1065997445.db2.gz OHVJNGUQPXMZFY-ICSRJNTNSA-N 1 1 486.064 4.543 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1C ZINC001360869540 1065998099 /nfs/dbraw/zinc/99/80/99/1065998099.db2.gz ICSINBDBAGJYOT-YENTXNKWSA-N 1 1 483.701 4.874 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CC[N@H+](C)C(C)C)c1C ZINC001360869782 1065999263 /nfs/dbraw/zinc/99/92/63/1065999263.db2.gz JZIOXOGHEKWZEE-QFUCXCTJSA-N 1 1 483.579 4.531 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H]3C(C)C)n2C[C@@H](C)C[NH+]2CCOCC2)c1C ZINC001360873969 1066011370 /nfs/dbraw/zinc/01/13/70/1066011370.db2.gz IVLRUSBSOJQYNZ-ZTCOLXNVSA-N 1 1 469.674 4.628 20 0 JJADMO Cc1ccc(C(=O)CCC(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC001441174658 1066011586 /nfs/dbraw/zinc/01/15/86/1066011586.db2.gz SFXHNUKKOPTGKB-UHFFFAOYSA-N 1 1 455.602 4.914 20 0 JJADMO CC[C@@](O)(CC(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC001441173252 1066011633 /nfs/dbraw/zinc/01/16/33/1066011633.db2.gz POTNCEXEJPTVLY-GDLZYMKVSA-N 1 1 457.618 4.631 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CCC[NH+]2CCOCC2)c1C ZINC001360875026 1066016052 /nfs/dbraw/zinc/01/60/52/1066016052.db2.gz WPJVCJAEEJWOCF-FYYLOGMGSA-N 1 1 469.674 4.630 20 0 JJADMO CC[C@H](CNC(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2)[N@H+]1CCc2ccccc2C1 ZINC001441234287 1066017390 /nfs/dbraw/zinc/01/73/90/1066017390.db2.gz DAFGNFSPUABLJI-QSEAXJEQSA-N 1 1 455.643 4.509 20 0 JJADMO CC[C@H](CNC(=O)c1c(C)nn(Cc2ccc(Cl)cc2)c1C)[N@H+]1CCc2ccccc2C1 ZINC001441238054 1066017966 /nfs/dbraw/zinc/01/79/66/1066017966.db2.gz JGGIFQGQRKLSBU-XMMPIXPASA-N 1 1 451.014 4.768 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCSc3c4ccccc4[nH]c3C2)n1CC[N@@H+](C)[C@H](C)CC ZINC001545939584 1066017996 /nfs/dbraw/zinc/01/79/96/1066017996.db2.gz GCKJQEDWQWKPBO-GOSISDBHSA-N 1 1 497.713 4.520 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCCCCC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1C ZINC001360875783 1066019622 /nfs/dbraw/zinc/01/96/22/1066019622.db2.gz YWOGDSNSHGGAHB-DNQXCXABSA-N 1 1 469.674 4.772 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCN(C(C)C)CC3)n2C[C@H](CC(C)C)[NH+](C)C)c1C ZINC001360876720 1066021085 /nfs/dbraw/zinc/02/10/85/1066021085.db2.gz AGIIVRRHZPNLFE-ZEQRLZLVSA-N 1 1 470.706 4.542 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCN(CC[N@@H+]4[C@H](C)CC[C@@H]4C)CC3)n2CC(C)C)c1C ZINC001360877093 1066022064 /nfs/dbraw/zinc/02/20/64/1066022064.db2.gz HUNOFMZZMGTSKM-ARNLJNQMSA-N 1 1 482.717 4.686 20 0 JJADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)c2c(F)ccc(SCC3CC3)c2F)CC1 ZINC001441304750 1066023759 /nfs/dbraw/zinc/02/37/59/1066023759.db2.gz CVMWYEUJHFEINU-UHFFFAOYSA-N 1 1 459.606 4.534 20 0 JJADMO CCN1CC[NH+](Cc2ccc(NC(=O)c3ccc(-n4nc(C)c(Cl)c4C)cc3)cc2)CC1 ZINC001441308449 1066024237 /nfs/dbraw/zinc/02/42/37/1066024237.db2.gz KDBJHNKMHCVWHD-UHFFFAOYSA-N 1 1 452.002 4.532 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](Cc4ccsc4)CC3)n2C[C@@](C)(O)C(C)C)c1C ZINC001360878285 1066025441 /nfs/dbraw/zinc/02/54/41/1066025441.db2.gz TZDMKBOPAYLVPS-AJTFRIOCSA-N 1 1 497.709 4.826 20 0 JJADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)c2cc(SC)c(Cl)cc2Cl)CC1 ZINC001441317551 1066026787 /nfs/dbraw/zinc/02/67/87/1066026787.db2.gz SBVVCBFKYIBYOI-UHFFFAOYSA-N 1 1 452.451 4.783 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2C[C@H](C)[N@@H+](C)C2CC2)c1C ZINC001360879594 1066031131 /nfs/dbraw/zinc/03/11/31/1066031131.db2.gz MXAISNKEUHBDCM-XZDHIHRUSA-N 1 1 469.674 4.769 20 0 JJADMO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cnc2ncc(Br)cc2c1 ZINC001441345693 1066031263 /nfs/dbraw/zinc/03/12/63/1066031263.db2.gz ZZCVRKCRTCANQI-LJQANCHMSA-N 1 1 459.775 4.613 20 0 JJADMO C[C@H](CNC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC001441351813 1066032011 /nfs/dbraw/zinc/03/20/11/1066032011.db2.gz PLXWVCXXAAGPQL-DHIUTWEWSA-N 1 1 450.623 4.550 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)C(C)(C)[C@@H]2CCC[C@H](C(F)(F)F)N2)C1 ZINC001441457728 1066042059 /nfs/dbraw/zinc/04/20/59/1066042059.db2.gz BMIXVGFTQJMDNM-GKJHBJHPSA-N 1 1 453.593 4.880 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(C)=C(C)C1 ZINC001360892630 1066044802 /nfs/dbraw/zinc/04/48/02/1066044802.db2.gz GOMLFVQCLUAHAY-SZPZYZBQSA-N 1 1 483.661 4.581 20 0 JJADMO CCCCNc1nc(CC(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)cs1 ZINC001441476139 1066045038 /nfs/dbraw/zinc/04/50/38/1066045038.db2.gz TZSZPQPTACPUFJ-OAQYLSRUSA-N 1 1 454.665 4.875 20 0 JJADMO CCCCNc1nc(CC(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)cs1 ZINC001441476139 1066045043 /nfs/dbraw/zinc/04/50/43/1066045043.db2.gz TZSZPQPTACPUFJ-OAQYLSRUSA-N 1 1 454.665 4.875 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)C[C@H]3CC[C@@H](NC(=O)OC(C)(C)C)C3)cc2)C1 ZINC001441476200 1066045059 /nfs/dbraw/zinc/04/50/59/1066045059.db2.gz BUKHDNDJEQVLND-QEFHDYNCSA-N 1 1 457.659 4.864 20 0 JJADMO CC1=C(C)CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001360892821 1066045234 /nfs/dbraw/zinc/04/52/34/1066045234.db2.gz NORZHTFKMWYENF-SZPZYZBQSA-N 1 1 486.705 4.717 20 0 JJADMO CC1=C(C)CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001360892986 1066045259 /nfs/dbraw/zinc/04/52/59/1066045259.db2.gz UCJIDOFLJWIVDV-UGKGYDQZSA-N 1 1 472.678 4.629 20 0 JJADMO CC1CCN(c2ccc(CNC(=O)c3ccccc3OCC[N@H+]3CCCC[C@H]3C)cn2)CC1 ZINC001441616928 1066054684 /nfs/dbraw/zinc/05/46/84/1066054684.db2.gz ADBQOGQLJMEPKX-JOCHJYFZSA-N 1 1 450.627 4.501 20 0 JJADMO CCc1cc2c(CC(=O)NCCCCN3CC[NH+](Cc4ccccc4)CC3)csc2s1 ZINC001441689110 1066061766 /nfs/dbraw/zinc/06/17/66/1066061766.db2.gz FKFSIVQXKZGRGP-UHFFFAOYSA-N 1 1 455.693 4.782 20 0 JJADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(-c2cccc(Br)c2)no1 ZINC001360908292 1066063655 /nfs/dbraw/zinc/06/36/55/1066063655.db2.gz CCXIZFCDBJAAHW-SFHVURJKSA-N 1 1 454.368 4.698 20 0 JJADMO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001360908920 1066064935 /nfs/dbraw/zinc/06/49/35/1066064935.db2.gz JVGMBFRECWFNTA-HSZRJFAPSA-N 1 1 451.014 4.796 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001545944354 1066066838 /nfs/dbraw/zinc/06/68/38/1066066838.db2.gz FOOFGTFDACHGMT-JQVVWYNYSA-N 1 1 494.675 4.721 20 0 JJADMO Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCS[C@H](C)C2)n1CC[N@H+](C)C(C)C ZINC001360911119 1066067713 /nfs/dbraw/zinc/06/77/13/1066067713.db2.gz XHSRTBIFSDDHCT-QGZVFWFLSA-N 1 1 456.685 4.659 20 0 JJADMO CC[N@H+]1CC[C@@H](CNC(=O)CCc2c3cccc(Br)c3[nH]c2-c2ccccc2)C1 ZINC001441957170 1066082731 /nfs/dbraw/zinc/08/27/31/1066082731.db2.gz MDAMGZXCZOMKRL-KRWDZBQOSA-N 1 1 454.412 4.988 20 0 JJADMO Cc1c(CN(C)c2nnc(-c3sc4ccccc4c3Cl)n2CC[N@H+](C)C(C)C)cnn1C ZINC001360930055 1066086479 /nfs/dbraw/zinc/08/64/79/1066086479.db2.gz REDZCSAQSFOLNI-UHFFFAOYSA-N 1 1 472.062 4.832 20 0 JJADMO C[N@@H+](Cc1ccccc1CNC(=O)C1(OCc2ccccc2)CCOCC1)C1CCCCC1 ZINC001442080499 1066090894 /nfs/dbraw/zinc/09/08/94/1066090894.db2.gz QPQYKEMQXYMQOP-UHFFFAOYSA-N 1 1 450.623 4.833 20 0 JJADMO Cc1ncsc1CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001360934655 1066092924 /nfs/dbraw/zinc/09/29/24/1066092924.db2.gz HBSZCULUNIOLKV-UHFFFAOYSA-N 1 1 482.698 4.755 20 0 JJADMO Cc1occc1CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001360934722 1066093189 /nfs/dbraw/zinc/09/31/89/1066093189.db2.gz JKRZKONBUYXPAH-UHFFFAOYSA-N 1 1 489.039 4.549 20 0 JJADMO Cc1ncsc1CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001360935100 1066094266 /nfs/dbraw/zinc/09/42/66/1066094266.db2.gz WJIMJZCTHREWMW-KRWDZBQOSA-N 1 1 482.057 4.915 20 0 JJADMO C[C@H](C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cccc(C(=O)c2ccccc2)c1 ZINC001442111744 1066095170 /nfs/dbraw/zinc/09/51/70/1066095170.db2.gz KWIJIHJQHAQTPA-YADHBBJMSA-N 1 1 456.586 4.558 20 0 JJADMO C[C@H](C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cccc(C(=O)c2ccccc2)c1 ZINC001442111744 1066095180 /nfs/dbraw/zinc/09/51/80/1066095180.db2.gz KWIJIHJQHAQTPA-YADHBBJMSA-N 1 1 456.586 4.558 20 0 JJADMO Cc1c(CN(C)c2nnc(-c3ccccc3Cl)n2CCCC[N@@H+]2CCCC[C@@H]2C)cnn1C ZINC001360935393 1066095268 /nfs/dbraw/zinc/09/52/68/1066095268.db2.gz IVWRGSMLXSQASD-IBGZPJMESA-N 1 1 470.065 4.931 20 0 JJADMO Cc1occc1CN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CCC[N@@H+](C)C(C)C ZINC001360938531 1066097034 /nfs/dbraw/zinc/09/70/34/1066097034.db2.gz PZCXDHOHGRATPC-UHFFFAOYSA-N 1 1 491.640 4.504 20 0 JJADMO C[N@@H+](CCNC(=O)c1cccc(OCc2ccccc2Br)c1)Cc1ccccc1 ZINC001442212631 1066103107 /nfs/dbraw/zinc/10/31/07/1066103107.db2.gz VZSZSIRAUVZQEW-UHFFFAOYSA-N 1 1 453.380 4.890 20 0 JJADMO Cc1occc1CN(C)c1nnc(COc2ccc(Cl)cc2)n1CC[N@@H+](C)C1CCCC1 ZINC001360949640 1066106327 /nfs/dbraw/zinc/10/63/27/1066106327.db2.gz NPVQERCLFKUAHX-UHFFFAOYSA-N 1 1 458.006 4.923 20 0 JJADMO Cc1occc1CN(C)c1nnc(COc2ccccc2F)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001360949864 1066107538 /nfs/dbraw/zinc/10/75/38/1066107538.db2.gz WMPUCPFRXMSFBC-QFIPXVFZSA-N 1 1 455.578 4.654 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)C1 ZINC001442253945 1066109040 /nfs/dbraw/zinc/10/90/40/1066109040.db2.gz LRSPFFRYNINVAR-CALCHBBNSA-N 1 1 455.603 4.621 20 0 JJADMO Cc1ccoc1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001360955583 1066111991 /nfs/dbraw/zinc/11/19/91/1066111991.db2.gz FXPLKJVKLMASRY-QFIPXVFZSA-N 1 1 481.641 4.532 20 0 JJADMO Cc1ccoc1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001360955583 1066111995 /nfs/dbraw/zinc/11/19/95/1066111995.db2.gz FXPLKJVKLMASRY-QFIPXVFZSA-N 1 1 481.641 4.532 20 0 JJADMO CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1 ZINC001442303061 1066113988 /nfs/dbraw/zinc/11/39/88/1066113988.db2.gz OMQLFXDEEOWNBZ-NVXWUHKLSA-N 1 1 456.978 4.702 20 0 JJADMO CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1 ZINC001442303051 1066114037 /nfs/dbraw/zinc/11/40/37/1066114037.db2.gz OMQLFXDEEOWNBZ-DOTOQJQBSA-N 1 1 456.978 4.702 20 0 JJADMO CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc(NC(=O)[C@H](C)n2nc(C)cc2C)c(Cl)c1 ZINC001442303084 1066114639 /nfs/dbraw/zinc/11/46/39/1066114639.db2.gz OMQLFXDEEOWNBZ-WBVHZDCISA-N 1 1 456.978 4.702 20 0 JJADMO Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cc1OCc1csc(Br)c1 ZINC001442363378 1066120185 /nfs/dbraw/zinc/12/01/85/1066120185.db2.gz GFCOVSFGSWVWDS-MRXNPFEDSA-N 1 1 451.430 4.858 20 0 JJADMO C[C@H](NC(=O)c1ccc(Oc2ccccc2Cl)nc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360963074 1066122703 /nfs/dbraw/zinc/12/27/03/1066122703.db2.gz BGBLCZHMGGJNRJ-MBSDFSHPSA-N 1 1 451.954 4.547 20 0 JJADMO C[C@H](NC(=O)c1ccc(Oc2ccccc2Cl)nc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360963074 1066122705 /nfs/dbraw/zinc/12/27/05/1066122705.db2.gz BGBLCZHMGGJNRJ-MBSDFSHPSA-N 1 1 451.954 4.547 20 0 JJADMO C[C@H](NC(=O)c1ccc(Oc2ccccc2Cl)nc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360963072 1066122751 /nfs/dbraw/zinc/12/27/51/1066122751.db2.gz BGBLCZHMGGJNRJ-FDDCHVKYSA-N 1 1 451.954 4.547 20 0 JJADMO C[C@H](NC(=O)c1ccc(Oc2ccccc2Cl)nc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360963072 1066122758 /nfs/dbraw/zinc/12/27/58/1066122758.db2.gz BGBLCZHMGGJNRJ-FDDCHVKYSA-N 1 1 451.954 4.547 20 0 JJADMO Cc1nc(-c2ccc(C)cc2F)sc1C(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360967227 1066124490 /nfs/dbraw/zinc/12/44/90/1066124490.db2.gz DQWGNQJEBIUHHQ-VGSWGCGISA-N 1 1 453.583 4.585 20 0 JJADMO Cc1nc(-c2ccc(C)cc2F)sc1C(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360967227 1066124495 /nfs/dbraw/zinc/12/44/95/1066124495.db2.gz DQWGNQJEBIUHHQ-VGSWGCGISA-N 1 1 453.583 4.585 20 0 JJADMO Cc1nc(-c2ccc(C)cc2F)sc1C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360967224 1066124505 /nfs/dbraw/zinc/12/45/05/1066124505.db2.gz DQWGNQJEBIUHHQ-HTAPYJJXSA-N 1 1 453.583 4.585 20 0 JJADMO Cc1nc(-c2ccc(C)cc2F)sc1C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360967224 1066124514 /nfs/dbraw/zinc/12/45/14/1066124514.db2.gz DQWGNQJEBIUHHQ-HTAPYJJXSA-N 1 1 453.583 4.585 20 0 JJADMO Cc1c(Cn2c(CC(C)(C)C)nnc2N2CCC[N@H+](C3CCCC3)CC2)cnn1CC(C)C ZINC001360972135 1066128159 /nfs/dbraw/zinc/12/81/59/1066128159.db2.gz OOHXEGCMTPRXHC-UHFFFAOYSA-N 1 1 455.695 4.531 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001442467521 1066128399 /nfs/dbraw/zinc/12/83/99/1066128399.db2.gz MLASLEZDCAHPRX-UPVQGACJSA-N 1 1 451.611 4.671 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001442467519 1066128515 /nfs/dbraw/zinc/12/85/15/1066128515.db2.gz MLASLEZDCAHPRX-LADGPHEKSA-N 1 1 451.611 4.671 20 0 JJADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1 ZINC001442476797 1066130321 /nfs/dbraw/zinc/13/03/21/1066130321.db2.gz RPRLKRVNSXXVQB-NRFANRHFSA-N 1 1 456.512 4.592 20 0 JJADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCCC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001360985450 1066147249 /nfs/dbraw/zinc/14/72/49/1066147249.db2.gz BBASZMLZMAIENM-HSZRJFAPSA-N 1 1 480.701 4.995 20 0 JJADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@H]2CCCCO2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001360985586 1066147747 /nfs/dbraw/zinc/14/77/47/1066147747.db2.gz GLFXUHRTBUDESC-NFBKMPQASA-N 1 1 496.700 4.722 20 0 JJADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@H]2CCCCO2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001360985587 1066148539 /nfs/dbraw/zinc/14/85/39/1066148539.db2.gz GLFXUHRTBUDESC-NZQKXSOJSA-N 1 1 496.700 4.722 20 0 JJADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@H]2CCCCO2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001360985740 1066149016 /nfs/dbraw/zinc/14/90/16/1066149016.db2.gz KEZMMICWBZFSSF-ZFGGDYGUSA-N 1 1 496.700 4.579 20 0 JJADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2coc(-c3ccc(Br)cc3F)n2)C1 ZINC001442669315 1066149999 /nfs/dbraw/zinc/14/99/99/1066149999.db2.gz SDBSTBJTBSDVTC-IJEWVQPXSA-N 1 1 450.352 4.721 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(CC(C)(C)C)nnc1N(C)CC(=O)Nc1c(C)cccc1C ZINC001360986112 1066150194 /nfs/dbraw/zinc/15/01/94/1066150194.db2.gz UJNMXDYKZBKCQU-UHFFFAOYSA-N 1 1 465.646 4.544 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H]2CCSC2)n1CC[N@H+](C)C(C)C ZINC001360986858 1066155527 /nfs/dbraw/zinc/15/55/27/1066155527.db2.gz NUBMVCMXMGMMTQ-QUCCMNQESA-N 1 1 466.095 4.970 20 0 JJADMO CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001442766514 1066158543 /nfs/dbraw/zinc/15/85/43/1066158543.db2.gz OBQUUFGBQDFKPC-HSZRJFAPSA-N 1 1 455.574 4.521 20 0 JJADMO CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001442766514 1066158549 /nfs/dbraw/zinc/15/85/49/1066158549.db2.gz OBQUUFGBQDFKPC-HSZRJFAPSA-N 1 1 455.574 4.521 20 0 JJADMO CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001442766519 1066158645 /nfs/dbraw/zinc/15/86/45/1066158645.db2.gz OBQUUFGBQDFKPC-QHCPKHFHSA-N 1 1 455.574 4.521 20 0 JJADMO CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001442766519 1066158647 /nfs/dbraw/zinc/15/86/47/1066158647.db2.gz OBQUUFGBQDFKPC-QHCPKHFHSA-N 1 1 455.574 4.521 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCCC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001360989632 1066162469 /nfs/dbraw/zinc/16/24/69/1066162469.db2.gz HYFDFESBAOBVKL-OAQYLSRUSA-N 1 1 489.108 4.562 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CCCCCCO ZINC001360990263 1066166995 /nfs/dbraw/zinc/16/69/95/1066166995.db2.gz RWPSMOFGCUBVSW-MQSCRBSSSA-N 1 1 490.092 4.914 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001360990429 1066167560 /nfs/dbraw/zinc/16/75/60/1066167560.db2.gz VMEMUUZQHLJGDP-QTGUNEKASA-N 1 1 490.092 4.891 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCO[C@@H](C(C)C)C2)n1CC[N@@H+](C)C(C)C ZINC001360991493 1066169964 /nfs/dbraw/zinc/16/99/64/1066169964.db2.gz DCUXNOWLWWHSFU-IFMALSPDSA-N 1 1 478.081 4.890 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCOC[C@@H]2C)n1CC[N@@H+](C)C1CCCC1 ZINC001360992129 1066171032 /nfs/dbraw/zinc/17/10/32/1066171032.db2.gz JAGHPTVXSFIGJB-PMACEKPBSA-N 1 1 476.065 4.788 20 0 JJADMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccn(-c3ccc(Br)cc3)n2)[C@@H]1c1cccs1 ZINC001360996850 1066175500 /nfs/dbraw/zinc/17/55/00/1066175500.db2.gz VDEKASGRTOSNGT-MGPUTAFESA-N 1 1 459.413 4.509 20 0 JJADMO Cc1cc([C@@](C)(O)Cn2c(C(C)C)nnc2N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(C)o1 ZINC001360997209 1066175678 /nfs/dbraw/zinc/17/56/78/1066175678.db2.gz CMNSLXCTXRHEIR-NDEPHWFRSA-N 1 1 479.669 4.867 20 0 JJADMO Cc1cc([C@](C)(O)Cn2c(N3CC[NH+]([C@@H](C)c4ccsc4)CC3)nnc2C(C)(C)C)c(C)o1 ZINC001361002975 1066179967 /nfs/dbraw/zinc/17/99/67/1066179967.db2.gz LVNINHYOWHSXGF-AVRWGWEMSA-N 1 1 471.671 4.638 20 0 JJADMO Cc1cc(C)c(Cn2c(N3CCC[N@H+](C(C)(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)c(C)c1 ZINC001361011924 1066196059 /nfs/dbraw/zinc/19/60/59/1066196059.db2.gz JLKPFUIADKSRKP-NDEPHWFRSA-N 1 1 483.701 4.603 20 0 JJADMO Cc1cc(C)c(NC(=O)CN(C)c2nnc(C3CC3)n2CCC[N@@H+](C)C2CCCCC2)c(C)c1 ZINC001361013974 1066198874 /nfs/dbraw/zinc/19/88/74/1066198874.db2.gz BNFHKFIBQWFCKD-UHFFFAOYSA-N 1 1 466.674 4.810 20 0 JJADMO Cc1cc(C)c(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CCC[N@H+](C)C(C)C)c(C)c1 ZINC001361014081 1066199534 /nfs/dbraw/zinc/19/95/34/1066199534.db2.gz FWZYPEROHYXKKD-UHFFFAOYSA-N 1 1 456.679 4.597 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N(C)CCC(F)(F)F)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001361022557 1066218112 /nfs/dbraw/zinc/21/81/12/1066218112.db2.gz UWLSSXNLRPOFMC-FXAWDEMLSA-N 1 1 467.580 4.983 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCCOC3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361022568 1066218743 /nfs/dbraw/zinc/21/87/43/1066218743.db2.gz VHRMRYSGQUBTST-GVAUOCQISA-N 1 1 483.701 4.705 20 0 JJADMO C[N@@H+]1CCC[C@H]1c1cc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)n[nH]1 ZINC001442776286 1066222029 /nfs/dbraw/zinc/22/20/29/1066222029.db2.gz YPQZGSYTYQRREO-FQEVSTJZSA-N 1 1 457.456 4.700 20 0 JJADMO C[N@H+]1CCC[C@H]1c1cc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)n[nH]1 ZINC001442776286 1066222045 /nfs/dbraw/zinc/22/20/45/1066222045.db2.gz YPQZGSYTYQRREO-FQEVSTJZSA-N 1 1 457.456 4.700 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)CC(C)(C)C3)n2CC2CCN(CC[NH+](C)C)CC2)c1 ZINC001361025082 1066223918 /nfs/dbraw/zinc/22/39/18/1066223918.db2.gz VYCIKEPAMNJKOL-XMMPIXPASA-N 1 1 496.744 4.620 20 0 JJADMO CC[C@@H](Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[N@H+](C2CCCC2)CC1)OC ZINC001545951988 1066224028 /nfs/dbraw/zinc/22/40/28/1066224028.db2.gz GCZIRZCIXZWWLZ-VWNXMTODSA-N 1 1 469.674 4.915 20 0 JJADMO CC(C)(O)C[NH+]1CCN(C(=O)c2oc3ccccc3c2CSc2ccccc2Cl)CC1 ZINC001442808378 1066225636 /nfs/dbraw/zinc/22/56/36/1066225636.db2.gz ZIACVJYGHVHSRC-UHFFFAOYSA-N 1 1 459.011 4.907 20 0 JJADMO COc1ccc(-c2nc(CCNC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3CC(C)C)co2)cc1 ZINC001442808816 1066225771 /nfs/dbraw/zinc/22/57/71/1066225771.db2.gz KIFDXEMPFGHUNE-ZEQKJWHPSA-N 1 1 461.606 4.803 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC(F)(F)C3)n2CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361026768 1066227453 /nfs/dbraw/zinc/22/74/53/1066227453.db2.gz FVUFTXQVCKYPCH-IBGZPJMESA-N 1 1 461.601 4.831 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CC2(C)CCOCC2)c1 ZINC001361027009 1066228181 /nfs/dbraw/zinc/22/81/81/1066228181.db2.gz JNPIGZMHKWICNV-UHFFFAOYSA-N 1 1 483.701 4.847 20 0 JJADMO C[C@]1(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)CC(c2cccc(Cl)c2F)=NO1 ZINC001442837702 1066230172 /nfs/dbraw/zinc/23/01/72/1066230172.db2.gz GKJDUFTZTQDIGX-RUZDIDTESA-N 1 1 457.977 4.529 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC(CCCO)CC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001361027665 1066230249 /nfs/dbraw/zinc/23/02/49/1066230249.db2.gz QWGJPWDOQLYFGC-QFIPXVFZSA-N 1 1 497.728 4.973 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@H]2CCC[C@@H](O)C2)c1 ZINC001361027764 1066231105 /nfs/dbraw/zinc/23/11/05/1066231105.db2.gz SLOUCVUBWCTAAD-LOSJGSFVSA-N 1 1 483.701 4.582 20 0 JJADMO CCCN(C(=O)C[C@](O)(c1ccc(C)o1)C(F)(F)F)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001442869054 1066234769 /nfs/dbraw/zinc/23/47/69/1066234769.db2.gz JFQLKOOCVFMOFW-REWPJTCUSA-N 1 1 452.517 4.631 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361031511 1066242447 /nfs/dbraw/zinc/24/24/47/1066242447.db2.gz UBZWYJFUUJLLES-RXVVDRJESA-N 1 1 479.591 4.985 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@H]2C)c1 ZINC001361032646 1066247082 /nfs/dbraw/zinc/24/70/82/1066247082.db2.gz SYJRZPKJZOFTML-DHIUTWEWSA-N 1 1 469.674 4.742 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC[N@H+](C4CCCC4)CC3)n2CCC(C)(F)F)c1 ZINC001361034961 1066251568 /nfs/dbraw/zinc/25/15/68/1066251568.db2.gz KQBPDGPXWNKCAG-UHFFFAOYSA-N 1 1 461.601 4.974 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@]2(O)CCCC2(C)C)c1 ZINC001361035103 1066252291 /nfs/dbraw/zinc/25/22/91/1066252291.db2.gz QKEZDJPCTRUPFI-MUUNZHRXSA-N 1 1 483.701 4.726 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[N@H+](C)C2CCCCC2)c1 ZINC001361038839 1066258636 /nfs/dbraw/zinc/25/86/36/1066258636.db2.gz QPCRWDRDLSBLEF-QFIPXVFZSA-N 1 1 495.590 4.506 20 0 JJADMO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001454268898 1066261646 /nfs/dbraw/zinc/26/16/46/1066261646.db2.gz LOHOOZGJOFGXAQ-KSFYIVLOSA-N 1 1 453.435 4.569 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001361039744 1066261759 /nfs/dbraw/zinc/26/17/59/1066261759.db2.gz SOTBYPCDPSUXPP-OYRHEFFESA-N 1 1 463.617 4.932 20 0 JJADMO C[N@H+]1C[C@H](C(=O)NCc2ccc(OCCOc3ccc(Cl)cc3)cc2)[C@@H](c2ccccc2)C1 ZINC001443104840 1066269369 /nfs/dbraw/zinc/26/93/69/1066269369.db2.gz YTCCUFOMKXGICB-FTJBHMTQSA-N 1 1 464.993 4.759 20 0 JJADMO CC[C@@]1(C)CC[C@@H](Cn2c(CSc3ccccc3OC)nnc2N2CCC[N@H+](C(C)C)CC2)O1 ZINC001546059910 1066270921 /nfs/dbraw/zinc/27/09/21/1066270921.db2.gz SMUSSNJZKLDDKO-LVXARBLLSA-N 1 1 487.714 4.847 20 0 JJADMO Cc1ccc(-n2ncc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)c2C(F)(F)F)cc1 ZINC001361047977 1066277280 /nfs/dbraw/zinc/27/72/80/1066277280.db2.gz NTPAJEOOAMRQGW-PGRDOPGGSA-N 1 1 456.512 4.840 20 0 JJADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC001454396009 1066277230 /nfs/dbraw/zinc/27/72/30/1066277230.db2.gz BGETZDSLOJZXBZ-BEFAXECRSA-N 1 1 454.924 4.583 20 0 JJADMO C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001454399503 1066278260 /nfs/dbraw/zinc/27/82/60/1066278260.db2.gz FWUGBIXKESPMOR-YZUZCNPQSA-N 1 1 457.659 4.687 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001361048664 1066278221 /nfs/dbraw/zinc/27/82/21/1066278221.db2.gz ZVIHBXYUNFBZSY-QDSKXPNFSA-N 1 1 457.659 4.877 20 0 JJADMO CCOc1cc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)ccc1OCc1cccnc1 ZINC001454400438 1066278478 /nfs/dbraw/zinc/27/84/78/1066278478.db2.gz LCQOKTWVANUIOQ-OFVILXPXSA-N 1 1 459.590 4.700 20 0 JJADMO COc1cc(Cl)c(Br)cc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001454407790 1066279959 /nfs/dbraw/zinc/27/99/59/1066279959.db2.gz RQTMLKIBLDVNBU-KUHUBIRLSA-N 1 1 451.792 4.752 20 0 JJADMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 ZINC001443215414 1066281414 /nfs/dbraw/zinc/28/14/14/1066281414.db2.gz MXECEKXHZBFGAD-IBGZPJMESA-N 1 1 459.569 4.746 20 0 JJADMO Cc1nc(SCC(C)C)sc1CC(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC001454450264 1066283607 /nfs/dbraw/zinc/28/36/07/1066283607.db2.gz MCVPBRFURGDIMM-UHFFFAOYSA-N 1 1 454.665 4.635 20 0 JJADMO Cc1cccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001361053479 1066289644 /nfs/dbraw/zinc/28/96/44/1066289644.db2.gz JJFWPTXGQVGEJE-NAKRPHOHSA-N 1 1 483.701 4.632 20 0 JJADMO O=C(N[C@@H](CCO)c1cc(Cl)cc(Cl)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC001454480621 1066290657 /nfs/dbraw/zinc/29/06/57/1066290657.db2.gz QGRWAXUOKHIGPU-UXHICEINSA-N 1 1 457.348 4.691 20 0 JJADMO Cc1cccc(CN(C)c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+](C)C2CCCC2)c1 ZINC001361054810 1066291497 /nfs/dbraw/zinc/29/14/97/1066291497.db2.gz HFMUAMAHCFPCRR-UHFFFAOYSA-N 1 1 485.474 4.865 20 0 JJADMO Cc1cc(CN(C)c2nnc(-c3ccc(Br)cc3)n2CCCCn2cc[nH+]c2C)no1 ZINC001361054911 1066292031 /nfs/dbraw/zinc/29/20/31/1066292031.db2.gz KNWPIUYNMSBRFY-UHFFFAOYSA-N 1 1 484.402 4.626 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC001443353403 1066299061 /nfs/dbraw/zinc/29/90/61/1066299061.db2.gz HEYCGIIAVVMEFY-CEMLEFRQSA-N 1 1 464.050 4.894 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC001443353403 1066299073 /nfs/dbraw/zinc/29/90/73/1066299073.db2.gz HEYCGIIAVVMEFY-CEMLEFRQSA-N 1 1 464.050 4.894 20 0 JJADMO Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001546063323 1066304044 /nfs/dbraw/zinc/30/40/44/1066304044.db2.gz NOELSUKZSSKIOF-UHFFFAOYSA-N 1 1 455.546 4.568 20 0 JJADMO Cc1cc(CN(C)c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H](C)[N@@H+](C)C2CC2)no1 ZINC001361066468 1066305973 /nfs/dbraw/zinc/30/59/73/1066305973.db2.gz KFWUCIAYOBISPX-OAHLLOKOSA-N 1 1 461.035 4.639 20 0 JJADMO Cc1cc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)no1 ZINC001361066804 1066306786 /nfs/dbraw/zinc/30/67/86/1066306786.db2.gz SXLZEYCVCWQDOF-LJQANCHMSA-N 1 1 473.021 4.564 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC001454656538 1066315920 /nfs/dbraw/zinc/31/59/20/1066315920.db2.gz OUJDLTHMAWJISL-NHCUHLMSSA-N 1 1 450.023 4.600 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC001454656538 1066315939 /nfs/dbraw/zinc/31/59/39/1066315939.db2.gz OUJDLTHMAWJISL-NHCUHLMSSA-N 1 1 450.023 4.600 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001454665752 1066318483 /nfs/dbraw/zinc/31/84/83/1066318483.db2.gz FGYQDFCCDUMFNW-ZEQRLZLVSA-N 1 1 451.611 4.813 20 0 JJADMO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)CC1 ZINC001443501614 1066319391 /nfs/dbraw/zinc/31/93/91/1066319391.db2.gz WDMXTAOXVHFSOI-UHFFFAOYSA-N 1 1 456.652 4.553 20 0 JJADMO C[N@H+]1CCCC[C@H]1C(=O)NCc1ccc(OCCCOc2ccc(Cl)cc2Cl)cc1 ZINC001443530482 1066323165 /nfs/dbraw/zinc/32/31/65/1066323165.db2.gz IBWKVTLIKDGYLQ-NRFANRHFSA-N 1 1 451.394 4.942 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H](C)[C@H](C)C2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001361087220 1066325694 /nfs/dbraw/zinc/32/56/94/1066325694.db2.gz CGEDHCSDAZQUCS-HSALFYBXSA-N 1 1 460.066 4.826 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H](C)S[C@H](C)C2)n1CC[N@@H+]1CC=CCC1 ZINC001361087785 1066327839 /nfs/dbraw/zinc/32/78/39/1066327839.db2.gz CHQPOJBKYJOARP-NHCUHLMSSA-N 1 1 490.117 4.844 20 0 JJADMO CC1(C)CN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC001443551669 1066329058 /nfs/dbraw/zinc/32/90/58/1066329058.db2.gz OOFSKTGIDLKXME-UHFFFAOYSA-N 1 1 453.384 4.576 20 0 JJADMO CC1(C)CN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CC[N@H+]1Cc1ccccc1 ZINC001443551669 1066329076 /nfs/dbraw/zinc/32/90/76/1066329076.db2.gz OOFSKTGIDLKXME-UHFFFAOYSA-N 1 1 453.384 4.576 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001454749346 1066330886 /nfs/dbraw/zinc/33/08/86/1066330886.db2.gz ZDCYQNKOFXJDAT-WNOPAQSVSA-N 1 1 479.448 4.740 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCSC[C@@H]2C)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001361090134 1066337848 /nfs/dbraw/zinc/33/78/48/1066337848.db2.gz ATBMAGMOHPPXDQ-FPOVZHCZSA-N 1 1 492.133 4.925 20 0 JJADMO CC(C)[C@H]1CN(C(=O)[C@@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)CC[N@H+]1C ZINC001454891316 1066339031 /nfs/dbraw/zinc/33/90/31/1066339031.db2.gz PCQVYNKLBNYVPD-IEBWSBKVSA-N 1 1 458.430 4.700 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCSCC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001361091556 1066341204 /nfs/dbraw/zinc/34/12/04/1066341204.db2.gz QPMZABINRFKRFW-PZJWPPBQSA-N 1 1 492.133 4.925 20 0 JJADMO COc1ccccc1/C=C(\C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1)c1ccccc1 ZINC001454918666 1066342273 /nfs/dbraw/zinc/34/22/73/1066342273.db2.gz IOOKHTICOHRWSO-CZSIZBGPSA-N 1 1 456.586 4.561 20 0 JJADMO COc1ccccc1/C=C(\C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1)c1ccccc1 ZINC001454918666 1066342288 /nfs/dbraw/zinc/34/22/88/1066342288.db2.gz IOOKHTICOHRWSO-CZSIZBGPSA-N 1 1 456.586 4.561 20 0 JJADMO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC001443649340 1066344814 /nfs/dbraw/zinc/34/48/14/1066344814.db2.gz XAHGIPLQAVPRAZ-UHFFFAOYSA-N 1 1 457.368 4.634 20 0 JJADMO C[C@@H](Oc1ccc(C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)cc1)c1ccccc1 ZINC001443670647 1066347223 /nfs/dbraw/zinc/34/72/23/1066347223.db2.gz CZQVZFSVPPQATP-HSZRJFAPSA-N 1 1 459.590 4.586 20 0 JJADMO Cc1cccc(N(C)c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC001361099133 1066348953 /nfs/dbraw/zinc/34/89/53/1066348953.db2.gz ASHCNUKFJBKGSJ-IBGZPJMESA-N 1 1 455.006 4.571 20 0 JJADMO C[C@H](CC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001443697394 1066352039 /nfs/dbraw/zinc/35/20/39/1066352039.db2.gz GAUXPEVJIZIQRX-SJBKTWHCSA-N 1 1 459.631 4.692 20 0 JJADMO COc1cccc(O[C@@H](C)CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)c1 ZINC001361107189 1066356637 /nfs/dbraw/zinc/35/66/37/1066356637.db2.gz PPBFXXZJEGTERG-WUMKDDEVSA-N 1 1 450.604 4.556 20 0 JJADMO CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC001443765277 1066364271 /nfs/dbraw/zinc/36/42/71/1066364271.db2.gz CTWPLOZJKIBWDB-QHCPKHFHSA-N 1 1 454.636 4.641 20 0 JJADMO Cc1ccc(C(=O)N2CCN(c3nnc(C(C)(C)C)n3CCCC[N@@H+]3CCCC[C@@H]3C)CC2)s1 ZINC001361115460 1066366940 /nfs/dbraw/zinc/36/69/40/1066366940.db2.gz LIEBQEOTFDTFKE-FQEVSTJZSA-N 1 1 486.730 4.563 20 0 JJADMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C[C@@H](C)CCc1ccc(I)cc1 ZINC001443777552 1066367528 /nfs/dbraw/zinc/36/75/28/1066367528.db2.gz WLXCKVJEFKLSTF-PXNSSMCTSA-N 1 1 456.412 4.631 20 0 JJADMO CC[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1)OC ZINC001545962434 1066369696 /nfs/dbraw/zinc/36/96/96/1066369696.db2.gz CHSWPAYUCIPBRN-SANMLTNESA-N 1 1 496.744 4.662 20 0 JJADMO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC001455231700 1066374202 /nfs/dbraw/zinc/37/42/02/1066374202.db2.gz ZYLYIIWTCOHIIQ-UHFFFAOYSA-N 1 1 453.505 4.632 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N(C)CC(F)(F)F)n2CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC001361124084 1066376975 /nfs/dbraw/zinc/37/69/75/1066376975.db2.gz WJONWCIZWXJBPE-HXUWFJFHSA-N 1 1 497.606 4.788 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N(C)CC(F)(F)F)n2C[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001361124146 1066377764 /nfs/dbraw/zinc/37/77/64/1066377764.db2.gz YJAGORLQMSAPAL-NRFANRHFSA-N 1 1 497.606 4.644 20 0 JJADMO CCC1(NC(=O)OC(C)(C)C)CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC001455277425 1066379292 /nfs/dbraw/zinc/37/92/92/1066379292.db2.gz WENAGXAWFMGHLN-QFIPXVFZSA-N 1 1 455.643 4.585 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)CC[C@@H]3C)n2C[C@H]2CCC[N@H+]2CCCO)c1 ZINC001361125970 1066381314 /nfs/dbraw/zinc/38/13/14/1066381314.db2.gz IDRUEACSCYSTFB-TZRRMPRUSA-N 1 1 483.701 4.761 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C)CC3)n2CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001361126111 1066382534 /nfs/dbraw/zinc/38/25/34/1066382534.db2.gz LGJLRJWKSHPHKP-UHFFFAOYSA-N 1 1 469.674 4.636 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C)CC3)n2CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001361126111 1066382547 /nfs/dbraw/zinc/38/25/47/1066382547.db2.gz LGJLRJWKSHPHKP-UHFFFAOYSA-N 1 1 469.674 4.636 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n2CCCOC(F)F)c1 ZINC001361126298 1066383407 /nfs/dbraw/zinc/38/34/07/1066383407.db2.gz PWDBSPSNHYLPPO-PMACEKPBSA-N 1 1 477.600 4.591 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)n2CCCOC(F)F)c1 ZINC001361126299 1066383437 /nfs/dbraw/zinc/38/34/37/1066383437.db2.gz PWDBSPSNHYLPPO-UXHICEINSA-N 1 1 477.600 4.591 20 0 JJADMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001443909811 1066384699 /nfs/dbraw/zinc/38/46/99/1066384699.db2.gz QMQUQJOMCRPNGC-HXUWFJFHSA-N 1 1 457.659 4.539 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CC(C)(C)OC(C)(C)C3)n2CC[N@@H+]2CC=CCC2)c1 ZINC001361126621 1066385390 /nfs/dbraw/zinc/38/53/90/1066385390.db2.gz WJRLUGFNQYMRLW-UHFFFAOYSA-N 1 1 481.685 4.945 20 0 JJADMO CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N1CC[NH+](C2CCC2)CC1 ZINC001443928348 1066386215 /nfs/dbraw/zinc/38/62/15/1066386215.db2.gz AEKKDMOLKUXZDI-UHFFFAOYSA-N 1 1 454.562 4.644 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H]3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001361127304 1066387852 /nfs/dbraw/zinc/38/78/52/1066387852.db2.gz HFWDRTHAQCNVKR-VWNXMTODSA-N 1 1 469.674 4.634 20 0 JJADMO CCc1nc(C[NH+]2CCC(CNC(=O)Cc3coc(-c4ccc(Cl)cc4)n3)CC2)cs1 ZINC001444017749 1066394608 /nfs/dbraw/zinc/39/46/08/1066394608.db2.gz LHCWOVLSUYANNB-UHFFFAOYSA-N 1 1 459.015 4.585 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CCCCC1 ZINC001455495220 1066397709 /nfs/dbraw/zinc/39/77/09/1066397709.db2.gz OSFHQJAMZZATKE-HSZRJFAPSA-N 1 1 457.659 4.975 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCSC[C@@H]3C)n2CC[N@H+]2CCC[C@H]2C)c1 ZINC001361131597 1066399897 /nfs/dbraw/zinc/39/98/97/1066399897.db2.gz LUAOXWXCLWQMFP-RTWAWAEBSA-N 1 1 457.688 4.715 20 0 JJADMO O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(OCc2ccccn2)cc1 ZINC001444124408 1066409273 /nfs/dbraw/zinc/40/92/73/1066409273.db2.gz AACBYFLDXWZVCJ-NRFANRHFSA-N 1 1 455.480 4.684 20 0 JJADMO O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(OCc2ccccc2)cn1 ZINC001444127378 1066410415 /nfs/dbraw/zinc/41/04/15/1066410415.db2.gz DBNTYWXPVOXPAN-OAQYLSRUSA-N 1 1 455.480 4.684 20 0 JJADMO O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ncc(C(F)(F)F)cc1Cl ZINC001444141468 1066414813 /nfs/dbraw/zinc/41/48/13/1066414813.db2.gz UIMNSYOQQHHICQ-AWEZNQCLSA-N 1 1 451.798 4.777 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Oc3ccc(N(C)C(=O)OC(C)(C)C)cc3)cc2)C[C@H](C)O1 ZINC001361140636 1066418673 /nfs/dbraw/zinc/41/86/73/1066418673.db2.gz CGRBRPPTPYMAFP-KDURUIRLSA-N 1 1 454.567 4.886 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Oc3ccc(N(C)C(=O)OC(C)(C)C)cc3)cc2)C[C@H](C)O1 ZINC001361140636 1066418683 /nfs/dbraw/zinc/41/86/83/1066418683.db2.gz CGRBRPPTPYMAFP-KDURUIRLSA-N 1 1 454.567 4.886 20 0 JJADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2(CNC(=O)OCc3ccccc3)CCCC2)C1 ZINC001444178443 1066426391 /nfs/dbraw/zinc/42/63/91/1066426391.db2.gz VKZIMHRHVMWTRK-UPVQGACJSA-N 1 1 455.643 4.586 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)[C@@H]3CCSC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001361145666 1066429702 /nfs/dbraw/zinc/42/97/02/1066429702.db2.gz FOVHPUCAMUAFNN-RBBKRZOGSA-N 1 1 471.715 4.926 20 0 JJADMO Cc1ccc(N(C(=O)[C@H](C[N@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)C2CCC2)cc1 ZINC001455787134 1066430660 /nfs/dbraw/zinc/43/06/60/1066430660.db2.gz LWEAWPJAZKMBQK-DEOSSOPVSA-N 1 1 451.611 4.906 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001444258841 1066436824 /nfs/dbraw/zinc/43/68/24/1066436824.db2.gz KLDWQYXKSQOTLN-KIHHCIJBSA-N 1 1 455.643 4.583 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001444258852 1066436878 /nfs/dbraw/zinc/43/68/78/1066436878.db2.gz KLDWQYXKSQOTLN-ZJZGAYNASA-N 1 1 455.643 4.583 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)OC3CCCC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001361149036 1066438161 /nfs/dbraw/zinc/43/81/61/1066438161.db2.gz GDIXGQANKFBRPC-FGZHOGPDSA-N 1 1 485.673 4.672 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC001361153345 1066449163 /nfs/dbraw/zinc/44/91/63/1066449163.db2.gz XZBHOJJWDZQDPB-BJKOFHAPSA-N 1 1 483.701 4.847 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC001361153348 1066449324 /nfs/dbraw/zinc/44/93/24/1066449324.db2.gz XZBHOJJWDZQDPB-RPWUZVMVSA-N 1 1 483.701 4.847 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCCC(C)(C)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361156035 1066456937 /nfs/dbraw/zinc/45/69/37/1066456937.db2.gz LKDMWTMTHSLWFY-ZRZAMGCNSA-N 1 1 469.674 4.600 20 0 JJADMO C[C@H](NC(=O)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1)[C@@H]1C[N@@H+](C)CCN1C ZINC001444401640 1066458066 /nfs/dbraw/zinc/45/80/66/1066458066.db2.gz DIPMSLRSKNSSMW-PAXLWEDBSA-N 1 1 452.451 4.577 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCCC[C@@H](C)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361159078 1066463041 /nfs/dbraw/zinc/46/30/41/1066463041.db2.gz OAPXICAGAWXTPD-JRFVFWCSSA-N 1 1 469.674 4.600 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2Cc2nccc(C(F)F)n2)c1 ZINC001361159125 1066463135 /nfs/dbraw/zinc/46/31/35/1066463135.db2.gz PKAIWZBTTRKDRK-UHFFFAOYSA-N 1 1 499.610 4.560 20 0 JJADMO Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)sc2c1 ZINC001455993832 1066469139 /nfs/dbraw/zinc/46/91/39/1066469139.db2.gz VPMMOHIRUCKOLM-SFHVURJKSA-N 1 1 452.624 4.886 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC001444506160 1066469519 /nfs/dbraw/zinc/46/95/19/1066469519.db2.gz TWVIHXGTXXDUAA-HSZRJFAPSA-N 1 1 455.643 4.823 20 0 JJADMO CC(C)c1nc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)nn1-c1c(Cl)cccc1Cl ZINC001444607410 1066481502 /nfs/dbraw/zinc/48/15/02/1066481502.db2.gz KAGFZRASSSTFEY-UHFFFAOYSA-N 1 1 450.414 4.788 20 0 JJADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(I)c(Cl)cc2Cl)C[C@H]1C ZINC001444614195 1066483670 /nfs/dbraw/zinc/48/36/70/1066483670.db2.gz INYKWMMYXQMONO-GHMZBOCLSA-N 1 1 455.167 4.543 20 0 JJADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(I)c(Cl)cc2Cl)C[C@H]1C ZINC001444614199 1066483722 /nfs/dbraw/zinc/48/37/22/1066483722.db2.gz INYKWMMYXQMONO-MNOVXSKESA-N 1 1 455.167 4.543 20 0 JJADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)C[C@@H]1C ZINC001444618899 1066484857 /nfs/dbraw/zinc/48/48/57/1066484857.db2.gz QSAJSBSTININAI-DZGCQCFKSA-N 1 1 456.427 4.514 20 0 JJADMO Cc1ccc(-c2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2CC2CCN(CC[NH+](C)C)CC2)o1 ZINC001361170152 1066485121 /nfs/dbraw/zinc/48/51/21/1066485121.db2.gz MLFZLKMTQZXBRX-IBGZPJMESA-N 1 1 486.611 4.596 20 0 JJADMO Cc1ccc(-c2nnc(N(C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2CCSC(F)(F)F)o1 ZINC001361170087 1066485150 /nfs/dbraw/zinc/48/51/50/1066485150.db2.gz FBULGFIOECYDRD-GOSISDBHSA-N 1 1 465.545 4.810 20 0 JJADMO COC(=O)C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccc(C(C)(C)C)cc1 ZINC001444660390 1066489685 /nfs/dbraw/zinc/48/96/85/1066489685.db2.gz DXVPDAGYRACGQO-QPPBQGQZSA-N 1 1 454.586 4.756 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)o1 ZINC001361177623 1066496664 /nfs/dbraw/zinc/49/66/64/1066496664.db2.gz KUOIALADGLNRMP-IBGZPJMESA-N 1 1 457.022 4.899 20 0 JJADMO Cc1ncsc1CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[N@@H+]1CCC[C@H]1C ZINC001361177713 1066497023 /nfs/dbraw/zinc/49/70/23/1066497023.db2.gz NSEFFRKUDKHBCW-MRXNPFEDSA-N 1 1 489.487 4.902 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3c(C)noc3C)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC001361177704 1066497105 /nfs/dbraw/zinc/49/71/05/1066497105.db2.gz NJKZNZNPURPTCZ-HDICACEKSA-N 1 1 454.619 4.846 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3c(C)noc3C)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC001361178107 1066498182 /nfs/dbraw/zinc/49/81/82/1066498182.db2.gz ZYSBOXMSDFOTRH-GOSISDBHSA-N 1 1 462.598 4.998 20 0 JJADMO Cn1c(C(=O)N2CC[N@@H+](C)CC23CCCCC3)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001444771581 1066503255 /nfs/dbraw/zinc/50/32/55/1066503255.db2.gz WEZKJLYXHZZREO-NRFANRHFSA-N 1 1 458.647 4.578 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3ccccc3Br)n2C[C@H](C)[N@@H+](C)C2CC2)o1 ZINC001361181423 1066503374 /nfs/dbraw/zinc/50/33/74/1066503374.db2.gz VXUWYWSDWTUCAQ-HNNXBMFYSA-N 1 1 458.404 4.728 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2CCCCn2cc[nH+]c2C)o1 ZINC001361181633 1066503829 /nfs/dbraw/zinc/50/38/29/1066503829.db2.gz RDWYLNQDDGDUBT-UHFFFAOYSA-N 1 1 479.532 4.944 20 0 JJADMO Cc1ccc(-c2nnc(N(C)C[C@H]3CCCCO3)n2CC[N@@H+]2CCC[C@@H]2C)cc1Br ZINC001361184528 1066507497 /nfs/dbraw/zinc/50/74/97/1066507497.db2.gz MFRUCJMCLYQBQK-AZUAARDMSA-N 1 1 476.463 4.506 20 0 JJADMO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC001456104362 1066510437 /nfs/dbraw/zinc/51/04/37/1066510437.db2.gz MRSZOBFFEDRUMI-KRWDZBQOSA-N 1 1 454.571 4.774 20 0 JJADMO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)CC1 ZINC001444849574 1066512126 /nfs/dbraw/zinc/51/21/26/1066512126.db2.gz RZFCSYOCXOQNFM-LJQANCHMSA-N 1 1 453.384 4.748 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2Cc2cccc(COC(C)(C)C)c2)o1 ZINC001361188191 1066513741 /nfs/dbraw/zinc/51/37/41/1066513741.db2.gz NPQIJRVDVFKYKM-SZPZYZBQSA-N 1 1 495.668 4.755 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2Cc2cccc(COC(C)(C)C)c2)o1 ZINC001361188191 1066513752 /nfs/dbraw/zinc/51/37/52/1066513752.db2.gz NPQIJRVDVFKYKM-SZPZYZBQSA-N 1 1 495.668 4.755 20 0 JJADMO Cc1cccc(NCCNC(=O)[C@H](Oc2ccc(Br)cc2F)c2ccccc2)[nH+]1 ZINC001456124321 1066515228 /nfs/dbraw/zinc/51/52/28/1066515228.db2.gz AFAJPRCJWIFPAS-OAQYLSRUSA-N 1 1 458.331 4.640 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCOC(C)(C)C)n2CC[N@@H+]2CCC[C@H]2C)cc1Br ZINC001361190577 1066515742 /nfs/dbraw/zinc/51/57/42/1066515742.db2.gz LVMIWOYBSRTSIF-GOSISDBHSA-N 1 1 478.479 4.752 20 0 JJADMO COc1ccc(-c2nc(C(=O)N3CC[C@H](C)[N@@H+](Cc4ccccc4)CC3)cs2)cc1OC ZINC001444897717 1066516838 /nfs/dbraw/zinc/51/68/38/1066516838.db2.gz YATYESCTKGOQNF-SFHVURJKSA-N 1 1 451.592 4.564 20 0 JJADMO CC[C@H](c1ccccc1)N1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001361192137 1066519216 /nfs/dbraw/zinc/51/92/16/1066519216.db2.gz HZWFIICPBAUOLH-ILBGXUMGSA-N 1 1 459.556 4.737 20 0 JJADMO CC[C@H](c1ccccc1)N1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001361192137 1066519220 /nfs/dbraw/zinc/51/92/20/1066519220.db2.gz HZWFIICPBAUOLH-ILBGXUMGSA-N 1 1 459.556 4.737 20 0 JJADMO Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)N[C@@H]3C[N@H+](C)CC3(C)C)cc12 ZINC001456156887 1066525130 /nfs/dbraw/zinc/52/51/30/1066525130.db2.gz GGRJMFWGLHMVMH-GOSISDBHSA-N 1 1 451.423 4.831 20 0 JJADMO C[C@@H](c1ccc(NC(=O)c2ccc(OC(F)F)c(Br)c2)cc1)[NH+]1CCOCC1 ZINC001456157451 1066525801 /nfs/dbraw/zinc/52/58/01/1066525801.db2.gz LXYADLPVQXLPKR-ZDUSSCGKSA-N 1 1 455.299 4.696 20 0 JJADMO Cc1ccc(-c2nnc(N3C[C@H]4CCC[N@H+]4C[C@@H]3C)n2CCCOCC(C)C)cc1Br ZINC001361198182 1066526889 /nfs/dbraw/zinc/52/68/89/1066526889.db2.gz LAFRHOLXPXODGJ-PZJWPPBQSA-N 1 1 490.490 4.752 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2CCCCn2cc[nH+]c2C)o1 ZINC001361199185 1066528037 /nfs/dbraw/zinc/52/80/37/1066528037.db2.gz ACERESVVUXIIFF-FPOVZHCZSA-N 1 1 497.644 4.571 20 0 JJADMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3N(C(=O)OC(C)(C)C)CCCC3(C)C)cc2)C1 ZINC001445040950 1066531962 /nfs/dbraw/zinc/53/19/62/1066531962.db2.gz AOHWQGNMQCTOGD-KNQAVFIVSA-N 1 1 459.631 4.771 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n2CCCC(C)(C)C)o1 ZINC001361205222 1066536290 /nfs/dbraw/zinc/53/62/90/1066536290.db2.gz GAQKZKUITBQUIQ-OYRHEFFESA-N 1 1 457.663 4.998 20 0 JJADMO CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001445086281 1066538014 /nfs/dbraw/zinc/53/80/14/1066538014.db2.gz WYCSWQSKAJPDNR-SANMLTNESA-N 1 1 457.659 4.832 20 0 JJADMO Cc1nc(CCC(=O)NCCCNc2ccc(C)c[nH+]2)oc1-c1ccc(Br)cc1 ZINC001445092152 1066538702 /nfs/dbraw/zinc/53/87/02/1066538702.db2.gz LUWZLIGYERQJHJ-UHFFFAOYSA-N 1 1 457.372 4.667 20 0 JJADMO CC(C)(C)OC(=O)N(CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)CC1CC1 ZINC001445098014 1066539625 /nfs/dbraw/zinc/53/96/25/1066539625.db2.gz ZPUCIXORYPMRTF-MHZLTWQESA-N 1 1 455.643 4.538 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)cc1Br ZINC001361209285 1066542204 /nfs/dbraw/zinc/54/22/04/1066542204.db2.gz SFPDLTVHYYOKLZ-NQIIRXRSSA-N 1 1 490.490 4.750 20 0 JJADMO Cc1ccc(-c2nnc(N3CCc4ccc(Br)cc4C3)n2CC[N@H+](C)C(C)C)o1 ZINC001361210151 1066543374 /nfs/dbraw/zinc/54/33/74/1066543374.db2.gz BSYQDSBQCFFBJB-UHFFFAOYSA-N 1 1 458.404 4.512 20 0 JJADMO CC[C@@H](Cn1c(-c2cccn2C)nnc1N(C)CCC(F)(F)F)[N@H+]1CCc2ccccc2C1 ZINC001545973143 1066548929 /nfs/dbraw/zinc/54/89/29/1066548929.db2.gz SUTXTUKMQUJPCY-FQEVSTJZSA-N 1 1 460.548 4.509 20 0 JJADMO CC(C)c1nc(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)nn1-c1c(Cl)cccc1Cl ZINC001445315961 1066556155 /nfs/dbraw/zinc/55/61/55/1066556155.db2.gz YNMDFZYMUMXTSZ-MRXNPFEDSA-N 1 1 450.414 4.501 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[NH+]([C@H](C)c4ccsc4)CC3)n2C[C@](C)(O)CCC(C)C)o1 ZINC001361220841 1066558488 /nfs/dbraw/zinc/55/84/88/1066558488.db2.gz GKDFKJSFDDHUMY-CJFMBICVSA-N 1 1 471.671 4.978 20 0 JJADMO Cc1ccc2nc(COc3ccc(C(=O)NCC[C@@H](C)[N@@H+](C)Cc4ccccc4)cc3)cn2c1 ZINC001445356343 1066561655 /nfs/dbraw/zinc/56/16/55/1066561655.db2.gz HRJGKWHYVXZSDT-JOCHJYFZSA-N 1 1 456.590 4.862 20 0 JJADMO CC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1)Oc1ccccc1F ZINC001545975080 1066569940 /nfs/dbraw/zinc/56/99/40/1066569940.db2.gz KNADAVHMDWHHEV-NRFANRHFSA-N 1 1 468.621 4.827 20 0 JJADMO COc1ccc(COC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c(OC(F)F)c1 ZINC001456362988 1066571207 /nfs/dbraw/zinc/57/12/07/1066571207.db2.gz CYEACSYZUHZOFA-NRFANRHFSA-N 1 1 459.411 4.794 20 0 JJADMO Cc1ccc(-c2nnc(N3CCS[C@H](C(C)C)C3)n2CC[N@@H+]2CC=CCC2)cc1Br ZINC001361231785 1066571803 /nfs/dbraw/zinc/57/18/03/1066571803.db2.gz USZRPTMTAFCISZ-NRFANRHFSA-N 1 1 490.515 4.856 20 0 JJADMO CC[C@@H](NC(=O)c1cc(CCc2ccccc2)ccc1O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001445491202 1066577412 /nfs/dbraw/zinc/57/74/12/1066577412.db2.gz NIKSPTVASGDQFT-IXCJQBJRSA-N 1 1 458.602 4.587 20 0 JJADMO CC[C@@H](NC(=O)c1cc(CCc2ccccc2)ccc1O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001445491202 1066577418 /nfs/dbraw/zinc/57/74/18/1066577418.db2.gz NIKSPTVASGDQFT-IXCJQBJRSA-N 1 1 458.602 4.587 20 0 JJADMO C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC001445524615 1066582152 /nfs/dbraw/zinc/58/21/52/1066582152.db2.gz GWSGHKZFKOFUGI-FDDCHVKYSA-N 1 1 455.574 4.692 20 0 JJADMO C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC001445524615 1066582161 /nfs/dbraw/zinc/58/21/61/1066582161.db2.gz GWSGHKZFKOFUGI-FDDCHVKYSA-N 1 1 455.574 4.692 20 0 JJADMO O=C(CCOc1cccc(Br)c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001445528625 1066583157 /nfs/dbraw/zinc/58/31/57/1066583157.db2.gz WMHQNSIBHOIEDQ-NZQKXSOJSA-N 1 1 457.412 4.731 20 0 JJADMO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001445531668 1066583624 /nfs/dbraw/zinc/58/36/24/1066583624.db2.gz YLZRJYYFLKLQJH-GREBRCKQSA-N 1 1 457.412 4.730 20 0 JJADMO Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)C2)c1 ZINC001445566995 1066588270 /nfs/dbraw/zinc/58/82/70/1066588270.db2.gz KXYPDCRJCCXPHN-ILBGXUMGSA-N 1 1 453.671 4.659 20 0 JJADMO CCCc1nc(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)nn1-c1ccccc1Cl ZINC001445566965 1066588446 /nfs/dbraw/zinc/58/84/46/1066588446.db2.gz KWNWHYAZFYMOTB-IBGZPJMESA-N 1 1 458.050 4.990 20 0 JJADMO COc1ccc(-c2nc(C(=O)N3CCC(CC[N@H+]4CCCC[C@H]4C)CC3)cs2)cc1OC ZINC001445570636 1066589115 /nfs/dbraw/zinc/58/91/15/1066589115.db2.gz UIFBMCSWNCFFFD-GOSISDBHSA-N 1 1 457.640 4.944 20 0 JJADMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccccc3SCC(=O)NC3CCCCCCC3)CC[C@@H]21 ZINC001445576733 1066590119 /nfs/dbraw/zinc/59/01/19/1066590119.db2.gz WEQZSKDGOQNOGF-REWPJTCUSA-N 1 1 457.684 4.564 20 0 JJADMO CCOc1cc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)ccc1OC ZINC001456452016 1066590952 /nfs/dbraw/zinc/59/09/52/1066590952.db2.gz WIJXFPHOQJNDQC-FGZHOGPDSA-N 1 1 450.604 4.687 20 0 JJADMO Cc1ccc(CN(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)o1 ZINC001361248198 1066591315 /nfs/dbraw/zinc/59/13/15/1066591315.db2.gz IFSVVKLGGDPCAM-SFTDATJTSA-N 1 1 485.604 4.596 20 0 JJADMO Cc1cccc(C)c1OC[C@H](NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccccc1 ZINC001445603843 1066594804 /nfs/dbraw/zinc/59/48/04/1066594804.db2.gz FZAVFJDTJWNLKR-MHZLTWQESA-N 1 1 457.618 4.601 20 0 JJADMO Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCOC(C)(C)C2)s1 ZINC001361251301 1066599036 /nfs/dbraw/zinc/59/90/36/1066599036.db2.gz MPESZNDZONVQFT-UHFFFAOYSA-N 1 1 478.037 4.855 20 0 JJADMO Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCOC(C)(C)C2)s1 ZINC001361251301 1066599048 /nfs/dbraw/zinc/59/90/48/1066599048.db2.gz MPESZNDZONVQFT-UHFFFAOYSA-N 1 1 478.037 4.855 20 0 JJADMO CN(C(=O)c1ccc(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC001456501690 1066603073 /nfs/dbraw/zinc/60/30/73/1066603073.db2.gz WIMRKJCGRYPBSL-NRFANRHFSA-N 1 1 459.512 4.542 20 0 JJADMO Cc1ccc(CN(C)c2nnc(-c3cnccn3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)s1 ZINC001361255311 1066603045 /nfs/dbraw/zinc/60/30/45/1066603045.db2.gz UTXCFKRFYZNAAR-LJQANCHMSA-N 1 1 461.639 4.652 20 0 JJADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001445778289 1066615982 /nfs/dbraw/zinc/61/59/82/1066615982.db2.gz CLBRMPQIIOBSJH-PXAZEXFGSA-N 1 1 450.764 4.502 20 0 JJADMO C[C@H]1C[C@@H](NC(=O)c2ccc(Br)c(OC(F)(F)F)c2)C[N@H+]1Cc1ccccc1 ZINC001445784976 1066617476 /nfs/dbraw/zinc/61/74/76/1066617476.db2.gz GONWHNAKJPQGOI-XJKSGUPXSA-N 1 1 457.290 4.741 20 0 JJADMO CC[C@H](C(=O)N[C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)N(C)C(=O)OC(C)(C)C ZINC001456546111 1066621847 /nfs/dbraw/zinc/62/18/47/1066621847.db2.gz KNHGCOHXUCXDSG-VYKTZEHYSA-N 1 1 465.638 4.806 20 0 JJADMO C[C@@]1(NC(=O)c2ncc(Br)s2)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001456548322 1066622594 /nfs/dbraw/zinc/62/25/94/1066622594.db2.gz MGSPIGGFLBCNQW-PGRDOPGGSA-N 1 1 456.409 4.694 20 0 JJADMO Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)c(F)c1 ZINC001361273366 1066629400 /nfs/dbraw/zinc/62/94/00/1066629400.db2.gz YPWVDWRPGNMOOM-UHFFFAOYSA-N 1 1 456.997 4.800 20 0 JJADMO Cc1ccccc1OCCCN(C)c1nnc(-c2cccn2C)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001492598944 1066649119 /nfs/dbraw/zinc/64/91/19/1066649119.db2.gz RXDRDBWNTBJAFB-DEOSSOPVSA-N 1 1 464.658 4.618 20 0 JJADMO Cc1ccccc1OCCCN(C)c1nnc(Cc2ccccn2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001492599073 1066649884 /nfs/dbraw/zinc/64/98/84/1066649884.db2.gz UMCAAHDSMJCXEH-VWLOTQADSA-N 1 1 476.669 4.598 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1(C)C ZINC001456652493 1066659255 /nfs/dbraw/zinc/65/92/55/1066659255.db2.gz ZNCMENCIUPXTIV-CXSMSNRLSA-N 1 1 477.649 4.710 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1(C)C ZINC001456652496 1066659308 /nfs/dbraw/zinc/65/93/08/1066659308.db2.gz ZNCMENCIUPXTIV-ZYQDXHPFSA-N 1 1 477.649 4.710 20 0 JJADMO Cc1cccnc1Cn1c(-c2ccc(Br)s2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001492605055 1066662091 /nfs/dbraw/zinc/66/20/91/1066662091.db2.gz OOQAMUIMVBEWCC-UHFFFAOYSA-N 1 1 489.487 4.831 20 0 JJADMO Cc1ccnc(OC2CCN(c3nnc(C(C)(C)C)n3CCC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC001492607578 1066666283 /nfs/dbraw/zinc/66/62/83/1066666283.db2.gz VFGGSUBBUCPZSJ-UHFFFAOYSA-N 1 1 476.669 4.849 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC=C(C)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1Br ZINC001492609668 1066671134 /nfs/dbraw/zinc/67/11/34/1066671134.db2.gz ZLVJWBWDZUGBHA-FQEVSTJZSA-N 1 1 488.474 4.673 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC=C(C)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1Br ZINC001492609669 1066671249 /nfs/dbraw/zinc/67/12/49/1066671249.db2.gz ZLVJWBWDZUGBHA-HXUWFJFHSA-N 1 1 488.474 4.673 20 0 JJADMO C[C@@H]1C[C@H](N(C)C(=O)[C@@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)CC[N@H+]1C ZINC001456710838 1066672190 /nfs/dbraw/zinc/67/21/90/1066672190.db2.gz HSCLVAIOMVQOGM-SPYBWZPUSA-N 1 1 458.430 4.843 20 0 JJADMO C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)[C@H]1c1ccc(F)cc1 ZINC001446196256 1066674313 /nfs/dbraw/zinc/67/43/13/1066674313.db2.gz QHNYXUYJJAAEQK-JTHBVZDNSA-N 1 1 453.558 4.689 20 0 JJADMO C[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)[C@H]1c1ccc(F)cc1 ZINC001446196256 1066674316 /nfs/dbraw/zinc/67/43/16/1066674316.db2.gz QHNYXUYJJAAEQK-JTHBVZDNSA-N 1 1 453.558 4.689 20 0 JJADMO CC[C@@H](Cn1c(C2CC2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001545982716 1066675802 /nfs/dbraw/zinc/67/58/02/1066675802.db2.gz QEBWKFFRIGCEOC-REWPJTCUSA-N 1 1 482.673 4.560 20 0 JJADMO Cc1noc(C)c1COc1ccc(CC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC001456769976 1066685372 /nfs/dbraw/zinc/68/53/72/1066685372.db2.gz IRYGEFCEVLTZJL-NLFFAJNJSA-N 1 1 453.608 4.674 20 0 JJADMO COc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)ccc1OCc1cscn1 ZINC001456771726 1066686212 /nfs/dbraw/zinc/68/62/12/1066686212.db2.gz OHCQZPKORCJOAR-HTAPYJJXSA-N 1 1 457.621 4.605 20 0 JJADMO Cc1cnn([C@@H]2CCCN(c3nnc([C@H](C)Oc4ccccc4F)n3CCC[N@H+](C)C(C)C)C2)c1 ZINC001492620368 1066689891 /nfs/dbraw/zinc/68/98/91/1066689891.db2.gz DGTDRRVZRHRTQH-FCHUYYIVSA-N 1 1 483.636 4.634 20 0 JJADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC001446321857 1066690286 /nfs/dbraw/zinc/69/02/86/1066690286.db2.gz IIRZRCRVNOZHOZ-QFIPXVFZSA-N 1 1 453.970 4.756 20 0 JJADMO Cc1cnn([C@H]2CCCN(c3nnc(-c4cccc(Cl)c4)n3CCC[N@H+](C)C(C)C)C2)c1 ZINC001492620629 1066690692 /nfs/dbraw/zinc/69/06/92/1066690692.db2.gz IRFLUNLQPCCEDR-QFIPXVFZSA-N 1 1 456.038 4.675 20 0 JJADMO Cc1cnn([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CCCC[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC001492620678 1066690816 /nfs/dbraw/zinc/69/08/16/1066690816.db2.gz JQIVXMGXUSKHBA-DHIUTWEWSA-N 1 1 455.695 4.868 20 0 JJADMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2ccc3scc(Br)c3c2)CC1 ZINC001446355861 1066695565 /nfs/dbraw/zinc/69/55/65/1066695565.db2.gz OOPZVJAWDOXAOV-UHFFFAOYSA-N 1 1 453.446 4.874 20 0 JJADMO Cc1cnn(CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC001492624509 1066696755 /nfs/dbraw/zinc/69/67/55/1066696755.db2.gz VSXDSTCKFMBBMF-XMMPIXPASA-N 1 1 493.700 4.797 20 0 JJADMO CC(C)(CO)[C@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1)c1ccccc1 ZINC001446431600 1066705035 /nfs/dbraw/zinc/70/50/35/1066705035.db2.gz YUGHCSZKFNHBPP-QIBDARBMSA-N 1 1 470.657 4.995 20 0 JJADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCCCC[C@@H]3C[C@@H](O)c3ccccc3)cc2)C[C@@H](C)O1 ZINC001446553578 1066720041 /nfs/dbraw/zinc/72/00/41/1066720041.db2.gz KXIZCDHWNDACHN-IKAXQFJBSA-N 1 1 450.623 4.804 20 0 JJADMO O=C(/C=C/c1cnc2ccccc2n1)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456988903 1066737010 /nfs/dbraw/zinc/73/70/10/1066737010.db2.gz WCDLESKAXLFCAM-CFGKVWFZSA-N 1 1 454.496 4.556 20 0 JJADMO O=C(COc1ccc(F)cc1Cl)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456989742 1066737631 /nfs/dbraw/zinc/73/76/31/1066737631.db2.gz ZXPYACZMYKGIPC-KRWDZBQOSA-N 1 1 458.883 4.771 20 0 JJADMO COC(=O)[C@@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1)CC1CCCC1 ZINC001457014323 1066742335 /nfs/dbraw/zinc/74/23/35/1066742335.db2.gz GCQJNFFGMNBXGV-PIRIWWGTSA-N 1 1 462.634 4.562 20 0 JJADMO O=C(NCc1ccc(Sc2ccc(F)cc2)cc1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC001446803041 1066742426 /nfs/dbraw/zinc/74/24/26/1066742426.db2.gz CAOOVUJWRYPQAT-RUZDIDTESA-N 1 1 450.579 4.791 20 0 JJADMO C[C@@H](Cc1cnc2ccccc2n1)C(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC001457038531 1066750654 /nfs/dbraw/zinc/75/06/54/1066750654.db2.gz NCCFDZTXBUBILC-QHCPKHFHSA-N 1 1 452.602 4.969 20 0 JJADMO Cc1csc(CN(C)c2nnc(Cc3ccccn3)n2CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001492647541 1066752002 /nfs/dbraw/zinc/75/20/02/1066752002.db2.gz OUSLZLJOLAHNEP-FQEVSTJZSA-N 1 1 452.672 4.782 20 0 JJADMO Cc1csc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001492648460 1066754549 /nfs/dbraw/zinc/75/45/49/1066754549.db2.gz XDCVZCRIZBKEMC-UHFFFAOYSA-N 1 1 490.073 4.628 20 0 JJADMO Cc1csc(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC001492648851 1066755467 /nfs/dbraw/zinc/75/54/67/1066755467.db2.gz KEYBVTYCIMJFQX-UHFFFAOYSA-N 1 1 459.063 4.968 20 0 JJADMO Cc1csc(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001492649385 1066756390 /nfs/dbraw/zinc/75/63/90/1066756390.db2.gz AGHCDWPSTJOYSK-BGYRXZFFSA-N 1 1 482.698 4.601 20 0 JJADMO Cc1csc(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001492649385 1066756399 /nfs/dbraw/zinc/75/63/99/1066756399.db2.gz AGHCDWPSTJOYSK-BGYRXZFFSA-N 1 1 482.698 4.601 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC001457087708 1066758652 /nfs/dbraw/zinc/75/86/52/1066758652.db2.gz DVRCNPZVARDBBX-FDDCHVKYSA-N 1 1 454.039 4.957 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC001457103181 1066762930 /nfs/dbraw/zinc/76/29/30/1066762930.db2.gz RSFMGWHJSWVZCR-UZLBHIALSA-N 1 1 454.368 4.745 20 0 JJADMO Cc1nc(C)c(CCn2c(-c3ccc(Cl)cc3)nnc2N2CCC[N@H+](C(C)C)CC2)s1 ZINC001492655323 1066766336 /nfs/dbraw/zinc/76/63/36/1066766336.db2.gz NUQSYHJLLKVDMS-UHFFFAOYSA-N 1 1 459.063 4.835 20 0 JJADMO Cc1[nH]c(=O)c(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1-c1ccccc1 ZINC001447107081 1066774288 /nfs/dbraw/zinc/77/42/88/1066774288.db2.gz SAUVCBJFHGNTGU-JPYJTQIMSA-N 1 1 453.945 4.978 20 0 JJADMO Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)cs1 ZINC001457169202 1066778256 /nfs/dbraw/zinc/77/82/56/1066778256.db2.gz USIREIGPTALHIX-UHFFFAOYSA-N 1 1 454.571 4.674 20 0 JJADMO C[C@@](O)(CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC001447195017 1066781893 /nfs/dbraw/zinc/78/18/93/1066781893.db2.gz MNRORWPZJKQKFB-ZWEKWIFMSA-N 1 1 466.984 4.719 20 0 JJADMO Cc1nc(Cc2nnc(N(C)C[C@H](C)c3nccs3)n2CCC[N@H+]2CCCC[C@H]2C)cs1 ZINC001492664488 1066784963 /nfs/dbraw/zinc/78/49/63/1066784963.db2.gz LEVYFRDEJKTVJM-ZWKOTPCHSA-N 1 1 473.716 4.595 20 0 JJADMO COc1ccc(O[C@@H](C)CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)cc1 ZINC001457195258 1066785034 /nfs/dbraw/zinc/78/50/34/1066785034.db2.gz IBGALZMTSAWAND-QLCOJLISSA-N 1 1 458.602 4.803 20 0 JJADMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1nc(-c2ccco2)c(C)s1 ZINC001545993981 1066786082 /nfs/dbraw/zinc/78/60/82/1066786082.db2.gz KCRPPQQSIRVIPU-DYESRHJHSA-N 1 1 452.624 4.717 20 0 JJADMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1nc(-c2ccco2)c(C)s1 ZINC001545993981 1066786087 /nfs/dbraw/zinc/78/60/87/1066786087.db2.gz KCRPPQQSIRVIPU-DYESRHJHSA-N 1 1 452.624 4.717 20 0 JJADMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1nc(-c2ccco2)c(C)s1 ZINC001545993984 1066786401 /nfs/dbraw/zinc/78/64/01/1066786401.db2.gz KCRPPQQSIRVIPU-UWJYYQICSA-N 1 1 452.624 4.717 20 0 JJADMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1nc(-c2ccco2)c(C)s1 ZINC001545993984 1066786406 /nfs/dbraw/zinc/78/64/06/1066786406.db2.gz KCRPPQQSIRVIPU-UWJYYQICSA-N 1 1 452.624 4.717 20 0 JJADMO C[N@H+]1CCCC[C@H]1C(=O)N(Cc1ccccc1)C[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC001447316173 1066790962 /nfs/dbraw/zinc/79/09/62/1066790962.db2.gz QGAFUMUZDKNJGR-WUFINQPMSA-N 1 1 458.602 4.812 20 0 JJADMO CCN(C(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001447361483 1066798823 /nfs/dbraw/zinc/79/88/23/1066798823.db2.gz RWGIWICHTRAQCZ-IXCJQBJRSA-N 1 1 458.602 4.812 20 0 JJADMO Cc1nc(Cc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)cs1 ZINC001492670868 1066800795 /nfs/dbraw/zinc/80/07/95/1066800795.db2.gz LYWYZOLQXNJNCH-PMACEKPBSA-N 1 1 482.698 4.548 20 0 JJADMO COc1ccc(CNC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(OC2CCCC2)c1 ZINC001457290857 1066804460 /nfs/dbraw/zinc/80/44/60/1066804460.db2.gz AQTFUTIDEROGEN-BGYRXZFFSA-N 1 1 452.595 4.556 20 0 JJADMO COc1ccc(CNC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(OC2CCCC2)c1 ZINC001457290857 1066804470 /nfs/dbraw/zinc/80/44/70/1066804470.db2.gz AQTFUTIDEROGEN-BGYRXZFFSA-N 1 1 452.595 4.556 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CCc2ccc(F)cc2C)cs1 ZINC001492675260 1066810314 /nfs/dbraw/zinc/81/03/14/1066810314.db2.gz RKZDKXLNPQMIRA-UHFFFAOYSA-N 1 1 484.689 4.881 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC(OCCC(C)C)CC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC001492676040 1066812069 /nfs/dbraw/zinc/81/20/69/1066812069.db2.gz SFHSFIBFDSHAEU-QFIPXVFZSA-N 1 1 488.746 4.786 20 0 JJADMO C[C@](O)(CNC(=O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1)c1cccc(Cl)c1 ZINC001447460518 1066812195 /nfs/dbraw/zinc/81/21/95/1066812195.db2.gz ZGISECWSYHBVMH-AHWVRZQESA-N 1 1 454.973 4.704 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[C@H](C(C)C)C3)n2CC[N@@H+](C)Cc2ccc(F)cc2)cs1 ZINC001492676468 1066813652 /nfs/dbraw/zinc/81/36/52/1066813652.db2.gz GKKXESXAOQVXOD-NRFANRHFSA-N 1 1 470.662 4.777 20 0 JJADMO CC[C@@H]1CN(C(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001447495447 1066815257 /nfs/dbraw/zinc/81/52/57/1066815257.db2.gz FGFXJSBRCXHGSB-HXUWFJFHSA-N 1 1 456.512 4.936 20 0 JJADMO CC[C@@H]1CN(C(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001447495447 1066815267 /nfs/dbraw/zinc/81/52/67/1066815267.db2.gz FGFXJSBRCXHGSB-HXUWFJFHSA-N 1 1 456.512 4.936 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cs1 ZINC001492677045 1066815456 /nfs/dbraw/zinc/81/54/56/1066815456.db2.gz URUSCSXTCACOLS-FUHWJXTLSA-N 1 1 470.609 4.533 20 0 JJADMO CC[C@H]1CN(C(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC001447499928 1066815990 /nfs/dbraw/zinc/81/59/90/1066815990.db2.gz OXKUHSAGVRKNKT-IBGZPJMESA-N 1 1 458.484 4.712 20 0 JJADMO CC[C@H]1CN(C(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)n[nH]2)CC[N@H+]1Cc1ccccc1 ZINC001447499928 1066815997 /nfs/dbraw/zinc/81/59/97/1066815997.db2.gz OXKUHSAGVRKNKT-IBGZPJMESA-N 1 1 458.484 4.712 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CCC[N@H+](C)Cc2ccccc2)cs1 ZINC001492678930 1066819954 /nfs/dbraw/zinc/81/99/54/1066819954.db2.gz QTPOUTLSBOCYHC-XMMPIXPASA-N 1 1 496.725 4.940 20 0 JJADMO CC[C@@H](Cn1c(CC(C)C)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)[N@H+]1CCc2ccccc2C1 ZINC001545997988 1066826248 /nfs/dbraw/zinc/82/62/48/1066826248.db2.gz ZSYFBBNMMRBMNT-RBJSKKJNSA-N 1 1 467.702 4.955 20 0 JJADMO Cc1nc(Cc2nnc(N3CCS[C@@H](C(C)C)C3)n2CCCC[N@H+]2CCCC[C@@H]2C)cs1 ZINC001492684141 1066827910 /nfs/dbraw/zinc/82/79/10/1066827910.db2.gz RYMPHNPYLNONTH-SIKLNZKXSA-N 1 1 476.760 4.866 20 0 JJADMO Cc1nc(C[C@H]2CCCN(c3nnc(CC(C)C)n3C[C@H](c3ccccc3Cl)[NH+](C)C)C2)no1 ZINC001492685157 1066829080 /nfs/dbraw/zinc/82/90/80/1066829080.db2.gz QJMCYUCTZFOOSF-DENIHFKCSA-N 1 1 486.064 4.583 20 0 JJADMO Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC001457460888 1066835795 /nfs/dbraw/zinc/83/57/95/1066835795.db2.gz RHGUSVPTASYYPL-UHFFFAOYSA-N 1 1 451.618 4.883 20 0 JJADMO Cc1ncc(CN(C)c2nnc(-c3ccccc3Br)n2CCCn2cc[nH+]c2C)s1 ZINC001492695489 1066842280 /nfs/dbraw/zinc/84/22/80/1066842280.db2.gz DBZJPCXFDJOEQZ-UHFFFAOYSA-N 1 1 486.443 4.704 20 0 JJADMO Cc1ncc(CN(C)c2nnc(-c3ccccc3Br)n2CC[N@@H+]2CCC[C@H]2C)s1 ZINC001492695687 1066843481 /nfs/dbraw/zinc/84/34/81/1066843481.db2.gz KZNCIGVTXRZMKU-OAHLLOKOSA-N 1 1 475.460 4.593 20 0 JJADMO Cc1ncc(CN(C)c2nnc(Cc3ccccc3C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)s1 ZINC001492698420 1066851745 /nfs/dbraw/zinc/85/17/45/1066851745.db2.gz WTKDZEJZZCXUAN-QFIPXVFZSA-N 1 1 452.672 4.699 20 0 JJADMO CCCCOc1ccc(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)cc1Cl ZINC001447754869 1066853615 /nfs/dbraw/zinc/85/36/15/1066853615.db2.gz ZRJCEVWLNPRIAA-ATIYNZHBSA-N 1 1 457.014 4.674 20 0 JJADMO CC[C@@H](NC(=O)CCCCc1nc2ccccc2s1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001457546716 1066857767 /nfs/dbraw/zinc/85/77/67/1066857767.db2.gz SSJJQCIFFKECOE-FYYLOGMGSA-N 1 1 451.636 4.805 20 0 JJADMO CC[C@@H](NC(=O)CCCCc1nc2ccccc2s1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001457546716 1066857773 /nfs/dbraw/zinc/85/77/73/1066857773.db2.gz SSJJQCIFFKECOE-FYYLOGMGSA-N 1 1 451.636 4.805 20 0 JJADMO Cc1ncc(Cn2c(CC(C)(C)C)nnc2N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC001492701319 1066857885 /nfs/dbraw/zinc/85/78/85/1066857885.db2.gz ROBMHHODJLWLKX-OAQYLSRUSA-N 1 1 452.672 4.781 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(C2CCC2)nnc1N(C)Cc1ccc(Br)s1 ZINC001492704565 1066863902 /nfs/dbraw/zinc/86/39/02/1066863902.db2.gz HIDPOUHFUPCTNU-UHFFFAOYSA-N 1 1 463.449 4.991 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOC[C@H]1C ZINC001492705287 1066864796 /nfs/dbraw/zinc/86/47/96/1066864796.db2.gz BBPIMAMOJCGGPN-OAHLLOKOSA-N 1 1 493.837 4.571 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001492705350 1066864964 /nfs/dbraw/zinc/86/49/64/1066864964.db2.gz CUWXTDAYWRWXQP-FHWLQOOXSA-N 1 1 472.634 4.873 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001492705616 1066865492 /nfs/dbraw/zinc/86/54/92/1066865492.db2.gz LUQNHOJFCJOHKM-OALUTQOASA-N 1 1 470.593 4.546 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c(N(C)[C@@H](C)c3cc(F)ccc3F)nnc2C(C)(C)C)cn1 ZINC001492705812 1066866105 /nfs/dbraw/zinc/86/61/05/1066866105.db2.gz RTHRTCCZPZVKEN-INIZCTEOSA-N 1 1 465.552 4.989 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCSC[C@H]1C ZINC001492705678 1066866202 /nfs/dbraw/zinc/86/62/02/1066866202.db2.gz NXTZVMQMFCZGTA-MRXNPFEDSA-N 1 1 475.460 4.635 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001492705962 1066866846 /nfs/dbraw/zinc/86/68/46/1066866846.db2.gz YASOCMIEFOBJQG-QRVBRYPASA-N 1 1 472.634 4.873 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(Cc2ccccn2)nnc1N(C)Cc1ccccc1Br ZINC001492706063 1066867448 /nfs/dbraw/zinc/86/74/48/1066867448.db2.gz AZAPCTRJRNVGCP-UHFFFAOYSA-N 1 1 494.441 4.648 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(COc2ccccc2F)nnc1N1CC[C@H](C)C(C)(C)C1 ZINC001492706169 1066867558 /nfs/dbraw/zinc/86/75/58/1066867558.db2.gz FGRRBLQSAALCFY-IBGZPJMESA-N 1 1 454.594 4.854 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCCO2)nnc1N(C)Cc1cc(Br)cs1 ZINC001492706354 1066868321 /nfs/dbraw/zinc/86/83/21/1066868321.db2.gz KISHIJIVSCGXIE-GOSISDBHSA-N 1 1 479.448 4.575 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(CC(C)C)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC001492706469 1066868508 /nfs/dbraw/zinc/86/85/08/1066868508.db2.gz NSHQBVDZHCJCOV-QFIPXVFZSA-N 1 1 457.022 4.693 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001492706623 1066869199 /nfs/dbraw/zinc/86/91/99/1066869199.db2.gz SXGIIIQBMDOEGH-OAQYLSRUSA-N 1 1 484.620 4.765 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2cccc(Br)c2)nnc1N1CCSC(C)(C)C1 ZINC001492706972 1066870199 /nfs/dbraw/zinc/87/01/99/1066870199.db2.gz GQFFOTKPTHJMJD-UHFFFAOYSA-N 1 1 475.460 4.635 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](CC(C)C)C1 ZINC001492707271 1066870781 /nfs/dbraw/zinc/87/07/81/1066870781.db2.gz QFIACEOQWUFHBK-QGZVFWFLSA-N 1 1 460.424 4.503 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2ccccc2Br)nnc1N(C)Cc1ccoc1 ZINC001492707850 1066871435 /nfs/dbraw/zinc/87/14/35/1066871435.db2.gz JFGCXALBLPPBQS-UHFFFAOYSA-N 1 1 455.360 4.532 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1cccs1 ZINC001492707858 1066871755 /nfs/dbraw/zinc/87/17/55/1066871755.db2.gz JOWGXAYQYKLFON-UHFFFAOYSA-N 1 1 499.685 4.686 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001492708390 1066872427 /nfs/dbraw/zinc/87/24/27/1066872427.db2.gz YMBUFBSQTBRFQQ-IRXDYDNUSA-N 1 1 457.420 4.785 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001492709476 1066873685 /nfs/dbraw/zinc/87/36/85/1066873685.db2.gz KHCCXJKPCCRLCL-BHDDXSALSA-N 1 1 472.678 4.576 20 0 JJADMO Cc1[nH+]ccn1CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC1CC(F)(F)C1 ZINC001492709435 1066873706 /nfs/dbraw/zinc/87/37/06/1066873706.db2.gz IUQRNXQNCNRTOQ-HNNXBMFYSA-N 1 1 464.948 4.758 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001492710024 1066874592 /nfs/dbraw/zinc/87/45/92/1066874592.db2.gz ARUMNUFMHZGPHU-AWEZNQCLSA-N 1 1 493.837 4.570 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C)C(C)(C)C1 ZINC001492710285 1066875148 /nfs/dbraw/zinc/87/51/48/1066875148.db2.gz JUWRSRNIQQFUHB-MRXNPFEDSA-N 1 1 457.420 4.785 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)c1ccc(F)cc1 ZINC001492710349 1066875366 /nfs/dbraw/zinc/87/53/66/1066875366.db2.gz MAKZGZBUISIXCI-HNNXBMFYSA-N 1 1 486.393 4.588 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001492710372 1066875383 /nfs/dbraw/zinc/87/53/83/1066875383.db2.gz MWJPYTAFHWOXKV-LJQANCHMSA-N 1 1 457.420 4.785 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H](C(F)F)C1 ZINC001492710606 1066875795 /nfs/dbraw/zinc/87/57/95/1066875795.db2.gz VXDHFSHUEYQYHR-AWEZNQCLSA-N 1 1 483.336 4.533 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cc(Br)cs1 ZINC001492710620 1066875811 /nfs/dbraw/zinc/87/58/11/1066875811.db2.gz WGTMMALATATRKF-UHFFFAOYSA-N 1 1 492.834 4.659 20 0 JJADMO Cc1[nH+]ccn1CCn1c(CC(C)(C)C)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 ZINC001492711386 1066876771 /nfs/dbraw/zinc/87/67/71/1066876771.db2.gz SMMHXKLXIDGYAK-UHFFFAOYSA-N 1 1 468.621 4.761 20 0 JJADMO Cc1ccc(-n2nc(Br)cc2C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)cc1 ZINC001457608790 1066877267 /nfs/dbraw/zinc/87/72/67/1066877267.db2.gz GQKJCKBENJNOHB-FQEVSTJZSA-N 1 1 459.432 4.718 20 0 JJADMO Cc1ccc(CNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)c(OC[C@@H]2CCOC2)c1 ZINC001457623621 1066884451 /nfs/dbraw/zinc/88/44/51/1066884451.db2.gz KTWPMLZZGDOVSO-RUZDIDTESA-N 1 1 458.602 4.972 20 0 JJADMO COc1cc(/C=C(\C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c2ccccc2)ccc1O ZINC001448127607 1066903269 /nfs/dbraw/zinc/90/32/69/1066903269.db2.gz UYWUFWORCOJART-ARDUGYFRSA-N 1 1 456.586 4.968 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cccc(O)c3)n2CCCC[N@H+]2CCCC[C@@H]2C)n1 ZINC001492732423 1066905247 /nfs/dbraw/zinc/90/52/47/1066905247.db2.gz OODIPPBAWGYRKJ-GMAHTHKFSA-N 1 1 479.673 4.697 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)n1 ZINC001492733782 1066907574 /nfs/dbraw/zinc/90/75/74/1066907574.db2.gz SLJORXCGVQHZQG-SXWKCWPCSA-N 1 1 455.695 4.665 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccoc3C)n2C[C@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC001492735260 1066909087 /nfs/dbraw/zinc/90/90/87/1066909087.db2.gz PPLWTHBPEFRTRJ-HSZRJFAPSA-N 1 1 482.032 4.634 20 0 JJADMO CC(C)Oc1cc(Br)cc(C(=O)Nc2ccc(Cl)c(C[N@H+](C)CCO)c2)c1 ZINC001448222457 1066910571 /nfs/dbraw/zinc/91/05/71/1066910571.db2.gz DPRLQJMXMHHYCL-UHFFFAOYSA-N 1 1 455.780 4.566 20 0 JJADMO CC(C)Oc1cc(Br)cc(C(=O)Nc2ccc(Cl)c(C[N@@H+](C)CCO)c2)c1 ZINC001448222457 1066910578 /nfs/dbraw/zinc/91/05/78/1066910578.db2.gz DPRLQJMXMHHYCL-UHFFFAOYSA-N 1 1 455.780 4.566 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)CC3CCCC3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492737859 1066913300 /nfs/dbraw/zinc/91/33/00/1066913300.db2.gz GDDKRRHGGYAVQX-OYRHEFFESA-N 1 1 455.695 4.524 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2Cc2ccccc2C[N@H+](C)C(C)C)n1 ZINC001492744104 1066919349 /nfs/dbraw/zinc/91/93/49/1066919349.db2.gz GXSUDCINRRUMAY-OAQYLSRUSA-N 1 1 477.701 4.901 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCC(C(C)C)CC3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001492744325 1066919652 /nfs/dbraw/zinc/91/96/52/1066919652.db2.gz MFXWRRSLUYNNBJ-HSZRJFAPSA-N 1 1 463.674 4.533 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492744268 1066919879 /nfs/dbraw/zinc/91/98/79/1066919879.db2.gz LDSNDEIIZVUYPM-BHIFYINESA-N 1 1 469.722 4.770 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCC(C(C)C)CC3)n2CCC[N@@H+](C)Cc2ccccc2)n1 ZINC001492744890 1066920560 /nfs/dbraw/zinc/92/05/60/1066920560.db2.gz YWCNNACHKFOIID-UHFFFAOYSA-N 1 1 463.674 4.534 20 0 JJADMO CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC001448375459 1066920731 /nfs/dbraw/zinc/92/07/31/1066920731.db2.gz SLSQWTBENRERIM-UHFFFAOYSA-N 1 1 453.414 4.528 20 0 JJADMO CC(C)[C@@H](NC(=O)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001448437199 1066927061 /nfs/dbraw/zinc/92/70/61/1066927061.db2.gz JUCGNRLTJRFRDB-XZOQPEGZSA-N 1 1 457.590 4.664 20 0 JJADMO CCc1ccc([C@@H]2CN(C(=O)Cc3csc(COc4ccc(Cl)cc4)n3)CC[NH2+]2)cc1 ZINC001448452248 1066929443 /nfs/dbraw/zinc/92/94/43/1066929443.db2.gz RDOJWBYETWQNHD-QFIPXVFZSA-N 1 1 456.011 4.654 20 0 JJADMO C[C@@H](C(=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1)[N@H+]1CCc2ccccc2C1 ZINC001448461471 1066930124 /nfs/dbraw/zinc/93/01/24/1066930124.db2.gz WHNJCKPUKXCRQH-KRWDZBQOSA-N 1 1 450.476 4.819 20 0 JJADMO Cc1cc(C)n(CC2CCN(c3nnc(-c4ccccc4C)n3CCC[N@H+](C)C(C)C)CC2)n1 ZINC001492759329 1066930939 /nfs/dbraw/zinc/93/09/39/1066930939.db2.gz ZAHFLFNVEOXMBH-UHFFFAOYSA-N 1 1 463.674 4.714 20 0 JJADMO Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001448533196 1066936401 /nfs/dbraw/zinc/93/64/01/1066936401.db2.gz DOEZHXSQXVMOMF-WMZHIEFXSA-N 1 1 453.583 4.662 20 0 JJADMO C[NH+](C)[C@H](C(=O)Nc1cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c1)c1ccccc1 ZINC001448553998 1066939431 /nfs/dbraw/zinc/93/94/31/1066939431.db2.gz WCFIGRFAQOBZCU-IBGZPJMESA-N 1 1 451.489 4.972 20 0 JJADMO CC[C@@]1(C)CN(c2nnc(Cc3ccccc3C)n2CCCC[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001546095043 1066940964 /nfs/dbraw/zinc/94/09/64/1066940964.db2.gz FDZIUFCQPQJCLR-CUNXSJBXSA-N 1 1 453.675 4.695 20 0 JJADMO Cc1nnc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CCNc1ncc(Cl)cc1Cl ZINC001492777458 1066947007 /nfs/dbraw/zinc/94/70/07/1066947007.db2.gz WWGASMGKVJLAES-FQEVSTJZSA-N 1 1 474.440 4.501 20 0 JJADMO Cc1nnc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001492798231 1066951444 /nfs/dbraw/zinc/95/14/44/1066951444.db2.gz BIINCSCDHZXIRZ-HXUWFJFHSA-N 1 1 484.689 4.605 20 0 JJADMO Cc1nnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492799567 1066953046 /nfs/dbraw/zinc/95/30/46/1066953046.db2.gz IDHXCURUXWMFTN-YDIMBITNSA-N 1 1 460.066 4.558 20 0 JJADMO Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001492804962 1066953911 /nfs/dbraw/zinc/95/39/11/1066953911.db2.gz VHKRLIRZJNKIFZ-GOSISDBHSA-N 1 1 480.579 4.560 20 0 JJADMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001448729361 1066954317 /nfs/dbraw/zinc/95/43/17/1066954317.db2.gz BLNHPQPIXWRZNX-UHFFFAOYSA-N 1 1 454.246 4.772 20 0 JJADMO Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(C[NH+](C)C)c(Cl)c3)c2)c1 ZINC001448735575 1066955158 /nfs/dbraw/zinc/95/51/58/1066955158.db2.gz FTJZMQZWVXPUMR-UHFFFAOYSA-N 1 1 457.983 4.763 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cc(Br)ccc1OC(F)F ZINC001458000106 1066955270 /nfs/dbraw/zinc/95/52/70/1066955270.db2.gz LNVGJCHQWXVXQX-HUUCEWRRSA-N 1 1 453.327 4.786 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cc(Br)ccc1OC(F)F ZINC001458000106 1066955281 /nfs/dbraw/zinc/95/52/81/1066955281.db2.gz LNVGJCHQWXVXQX-HUUCEWRRSA-N 1 1 453.327 4.786 20 0 JJADMO C[C@@H](CC(=O)OCc1ccccc1)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001458002116 1066955770 /nfs/dbraw/zinc/95/57/70/1066955770.db2.gz WXUWBGLPMAHXOI-TUACAJSNSA-N 1 1 462.615 4.602 20 0 JJADMO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1ccccc1C(=O)NCC[N@@H+]1CC=CCC1 ZINC001448783411 1066957545 /nfs/dbraw/zinc/95/75/45/1066957545.db2.gz ILKXMEMUUXVSGE-GIWBLDEGSA-N 1 1 458.668 4.774 20 0 JJADMO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1ccccc1C(=O)NCC[N@@H+]1CC=CCC1 ZINC001448783408 1066957668 /nfs/dbraw/zinc/95/76/68/1066957668.db2.gz ILKXMEMUUXVSGE-FUPPJEDESA-N 1 1 458.668 4.774 20 0 JJADMO Cc1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001492851847 1066959007 /nfs/dbraw/zinc/95/90/07/1066959007.db2.gz LIOYWPSXIXHZKM-APWZRJJASA-N 1 1 481.954 4.600 20 0 JJADMO Cc1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1Cc1cccc(NC(=O)CC(C)C)c1 ZINC001492897723 1066959880 /nfs/dbraw/zinc/95/98/80/1066959880.db2.gz FKGCUPCRGYBPKJ-LJQANCHMSA-N 1 1 466.655 4.564 20 0 JJADMO O=C(Nc1ccc(F)cc1)c1ccc(CNC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1 ZINC001545697212 1066963080 /nfs/dbraw/zinc/96/30/80/1066963080.db2.gz FKMKWYURTAFFLI-DEOSSOPVSA-N 1 1 459.565 4.649 20 0 JJADMO C[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001448848600 1066963911 /nfs/dbraw/zinc/96/39/11/1066963911.db2.gz SPHXNMFMLIDPRA-WAABAYLZSA-N 1 1 469.670 4.829 20 0 JJADMO CO[C@H](C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(Br)s1 ZINC001458059861 1066964399 /nfs/dbraw/zinc/96/43/99/1066964399.db2.gz QCYHSWNYZHFLBN-MDYRTPRTSA-N 1 1 451.430 4.615 20 0 JJADMO C[NH+](C)[C@@H](C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1)c1ccc(Cl)cc1 ZINC001448882316 1066966876 /nfs/dbraw/zinc/96/68/76/1066966876.db2.gz APPHCGZLUGUDHY-WOJBJXKFSA-N 1 1 450.808 4.808 20 0 JJADMO CC[C@@H](c1nnc(N(C)[C@H](C)CCSC)n1C[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC001545717193 1066971820 /nfs/dbraw/zinc/97/18/20/1066971820.db2.gz HLHIJJBZCLSJAY-KCZVDYSFSA-N 1 1 452.672 4.857 20 0 JJADMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)C(F)(F)c1cnc(Cl)c(C)c1 ZINC001458093038 1066972760 /nfs/dbraw/zinc/97/27/60/1066972760.db2.gz ILZSSWQLVITOCG-IBGZPJMESA-N 1 1 459.928 4.726 20 0 JJADMO CC[C@@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC001545719817 1066973935 /nfs/dbraw/zinc/97/39/35/1066973935.db2.gz MVIZUSARJWUZTF-LPDNJITPSA-N 1 1 494.728 4.968 20 0 JJADMO COC(C)(C)c1nc(C)c(C(=O)Nc2c(C)cnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC001458096323 1066974146 /nfs/dbraw/zinc/97/41/46/1066974146.db2.gz YIXGQFHRELDZKG-IBGZPJMESA-N 1 1 453.612 4.537 20 0 JJADMO CC[C@@H](c1nnc(N(C)Cc2c(C)noc2C)n1C[C@@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC001545721544 1066975730 /nfs/dbraw/zinc/97/57/30/1066975730.db2.gz BTRCLACRDWKHKQ-XZOQPEGZSA-N 1 1 450.631 4.936 20 0 JJADMO CC[C@H](c1nnc(N(C)Cc2cc(Cl)ccn2)n1CC[N@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001545721746 1066976406 /nfs/dbraw/zinc/97/64/06/1066976406.db2.gz GGWGXLUSPAQIGG-CVDCTZTESA-N 1 1 453.034 4.989 20 0 JJADMO CC[C@@H](c1nnc(N(C)Cc2ccoc2C)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545722223 1066977592 /nfs/dbraw/zinc/97/75/92/1066977592.db2.gz QQPMWLZBFTURME-LOSJGSFVSA-N 1 1 465.642 4.715 20 0 JJADMO CC[C@@H](c1nnc(N(C)Cc2c(C)nn(C)c2C)n1CC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001545722654 1066978734 /nfs/dbraw/zinc/97/87/34/1066978734.db2.gz YKGQZWAWDHHDSI-HYBUGGRVSA-N 1 1 463.674 4.539 20 0 JJADMO CC[C@H](c1nnc(N(C)Cc2c(C)nn(C)c2C)n1CC[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC001545722655 1066978758 /nfs/dbraw/zinc/97/87/58/1066978758.db2.gz YKGQZWAWDHHDSI-RDPSFJRHSA-N 1 1 463.674 4.539 20 0 JJADMO CC[C@@H](c1nnc(N(C)Cc2c(C)nn(C)c2C)n1CC[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC001545722653 1066978822 /nfs/dbraw/zinc/97/88/22/1066978822.db2.gz YKGQZWAWDHHDSI-GBXCKJPGSA-N 1 1 463.674 4.539 20 0 JJADMO CC[C@@H](c1nnc(N(C)Cc2cnn(C)c2C)n1CC[N@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001545722694 1066978875 /nfs/dbraw/zinc/97/88/75/1066978875.db2.gz YXWNHUDPGVCYKE-XMMPIXPASA-N 1 1 463.674 4.620 20 0 JJADMO CC[C@H](c1nnc(N(C)Cc2ccsc2)n1C[C@@H](C)[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001545724659 1066981160 /nfs/dbraw/zinc/98/11/60/1066981160.db2.gz VEJQKIUFKGJKPM-QPPBQGQZSA-N 1 1 466.699 4.544 20 0 JJADMO CC[C@@H](c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@@H](C)c1c(C)noc1C)c1ccccc1 ZINC001545725975 1066982727 /nfs/dbraw/zinc/98/27/27/1066982727.db2.gz HFORPMRPGHNQAG-HYBUGGRVSA-N 1 1 494.684 4.776 20 0 JJADMO CC[C@@H](c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@@H](C)c1c(C)noc1C)c1ccccc1 ZINC001545725975 1066982737 /nfs/dbraw/zinc/98/27/37/1066982737.db2.gz HFORPMRPGHNQAG-HYBUGGRVSA-N 1 1 494.684 4.776 20 0 JJADMO CC[C@H](c1nnc(N(CC)C[C@@H]2CCCO2)n1CC[N@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001545728072 1066985112 /nfs/dbraw/zinc/98/51/12/1066985112.db2.gz FJJGPPDCRQACIJ-ZEQRLZLVSA-N 1 1 453.675 4.947 20 0 JJADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C2)s1 ZINC001449178105 1066987939 /nfs/dbraw/zinc/98/79/39/1066987939.db2.gz SGQALRKFHNIOIF-UGKGYDQZSA-N 1 1 457.640 4.603 20 0 JJADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)CSCc3coc(-c4ccccc4)n3)C2)s1 ZINC001449179383 1066988008 /nfs/dbraw/zinc/98/80/08/1066988008.db2.gz WMTUNERECHIKTI-IBGZPJMESA-N 1 1 455.649 4.925 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1C[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1 ZINC001545732042 1066993204 /nfs/dbraw/zinc/99/32/04/1066993204.db2.gz WQFHMWPQQPNIFT-VVSUKSJXSA-N 1 1 492.634 4.623 20 0 JJADMO O=C(/C=C/COc1ccccc1)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001458169449 1066994835 /nfs/dbraw/zinc/99/48/35/1066994835.db2.gz BFIWXMJHQXDRNY-LICLKQGHSA-N 1 1 456.586 4.572 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CC[N@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001545734396 1066997233 /nfs/dbraw/zinc/99/72/33/1066997233.db2.gz RTWGCYRGQORERB-GHTZIAJQSA-N 1 1 477.575 4.652 20 0 JJADMO CC[C@@]1(C)CN(c2nnc(CCc3ccc(OC)cc3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001546097765 1066997575 /nfs/dbraw/zinc/99/75/75/1066997575.db2.gz POKLHFPQPKODDU-CTWZREHQSA-N 1 1 497.728 4.834 20 0 JJADMO CC[C@H](c1nnc(N2CCC(C(=O)OC)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545734574 1066997943 /nfs/dbraw/zinc/99/79/43/1066997943.db2.gz VZEHZCCHLRDYQC-FBLLAGFSSA-N 1 1 481.685 4.577 20 0 JJADMO CC[C@@H](c1nnc(N2CC=C(COC)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545734620 1066997959 /nfs/dbraw/zinc/99/79/59/1066997959.db2.gz WKJHSVAOKXPXBB-MVERNJQCSA-N 1 1 465.686 4.971 20 0 JJADMO CC[C@@H](c1nnc(N2CC[C@H](C)[C@@H]2CC)n1C[C@H](C(C)C)[NH+]1CCOCC1)c1ccccc1 ZINC001545735522 1066998504 /nfs/dbraw/zinc/99/85/04/1066998504.db2.gz CKOPNFXMLWOEIT-UHRQBARKSA-N 1 1 453.675 4.802 20 0 JJADMO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N3CCC(c4ccccc4F)CC3)c2c1C ZINC001458196593 1067001778 /nfs/dbraw/zinc/00/17/78/1067001778.db2.gz HKEXZIDYBAYOKY-UHFFFAOYSA-N 1 1 456.587 4.761 20 0 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CGVYLKKBNCABLY-HYBUGGRVSA-N 1 1 459.005 4.953 20 0 JJADMO COc1ccc(CC(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c(Cl)c1OC ZINC001458446463 1067063236 /nfs/dbraw/zinc/06/32/36/1067063236.db2.gz GUWXXHZJPBOOJQ-VFNWGFHPSA-N 1 1 455.357 4.501 20 0 JJADMO CCC(CC)(Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)OC ZINC001545774017 1067064416 /nfs/dbraw/zinc/06/44/16/1067064416.db2.gz BFGIMWAREFNRIS-LAUBAEHRSA-N 1 1 496.483 4.614 20 0 JJADMO C[N@H+]1CC[C@@H](CNC(=O)c2ccccc2OCc2ccncc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458452016 1067066650 /nfs/dbraw/zinc/06/66/50/1067066650.db2.gz ZEOBQOQKNVQNFS-YADARESESA-N 1 1 453.945 4.876 20 0 JJADMO CCC(CC)(Cn1c(-c2ccccc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C)NC(=O)OC(C)(C)C ZINC001545775752 1067069684 /nfs/dbraw/zinc/06/96/84/1067069684.db2.gz JPEVKESPCHRZFL-IFMALSPDSA-N 1 1 482.673 4.702 20 0 JJADMO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N3CCc4ccc(C(C)C)cc4C3)c2c1C ZINC001458473094 1067071008 /nfs/dbraw/zinc/07/10/08/1067071008.db2.gz GOAFZVVLVZJZAG-UHFFFAOYSA-N 1 1 452.624 4.924 20 0 JJADMO CCC(CC)(Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)SC ZINC001545777989 1067072969 /nfs/dbraw/zinc/07/29/69/1067072969.db2.gz SSKNQLKGERBAPW-WIYYLYMNSA-N 1 1 478.106 4.677 20 0 JJADMO CC(C)[C@@H](C(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001450403997 1067076691 /nfs/dbraw/zinc/07/66/91/1067076691.db2.gz HZQVVPUQKYITSQ-OVQGTLEDSA-N 1 1 456.549 4.518 20 0 JJADMO CC(C)[C@@H](C(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001450403997 1067076704 /nfs/dbraw/zinc/07/67/04/1067076704.db2.gz HZQVVPUQKYITSQ-OVQGTLEDSA-N 1 1 456.549 4.518 20 0 JJADMO CCOc1ccc([C@@H](O)C2CCN(C(=O)[C@H]3CCCC[N@H+]3Cc3cccc(C)c3)CC2)cc1 ZINC001450415957 1067079020 /nfs/dbraw/zinc/07/90/20/1067079020.db2.gz RPPDLMBIAGZXKJ-KAYWLYCHSA-N 1 1 450.623 4.720 20 0 JJADMO CC[C@@]1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2CCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC001546101704 1067081105 /nfs/dbraw/zinc/08/11/05/1067081105.db2.gz JJJSXLCDOWVZTL-CPJSRVTESA-N 1 1 476.065 4.780 20 0 JJADMO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC001458535618 1067083975 /nfs/dbraw/zinc/08/39/75/1067083975.db2.gz GNCQBBZUQZXERC-LHBJCCJNSA-N 1 1 460.643 4.825 20 0 JJADMO CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)OC ZINC001545789786 1067086732 /nfs/dbraw/zinc/08/67/32/1067086732.db2.gz TVWSNZHFSNRCNJ-UPVQGACJSA-N 1 1 468.690 4.560 20 0 JJADMO CCOC(=O)c1cc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)ccc1O ZINC001450532571 1067087280 /nfs/dbraw/zinc/08/72/80/1067087280.db2.gz FNBFYEFYIYZSMD-UFHPHHKVSA-N 1 1 458.558 4.597 20 0 JJADMO CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1CC[NH+](Cc2ccsc2)CC1)SC ZINC001545791099 1067088050 /nfs/dbraw/zinc/08/80/50/1067088050.db2.gz HOSYWPAGYLTAJV-UHFFFAOYSA-N 1 1 490.768 4.939 20 0 JJADMO Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC001450608443 1067095002 /nfs/dbraw/zinc/09/50/02/1067095002.db2.gz LXGHOULFGBJCGD-QGZVFWFLSA-N 1 1 457.500 4.798 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl ZINC001458626479 1067098545 /nfs/dbraw/zinc/09/85/45/1067098545.db2.gz HGNAAGYZKYEKQK-DYESRHJHSA-N 1 1 458.002 4.866 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC001458634024 1067099582 /nfs/dbraw/zinc/09/95/82/1067099582.db2.gz WDKQNAGOTYLPIS-HTAPYJJXSA-N 1 1 456.011 4.555 20 0 JJADMO CCC(CC)[C@@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)OC ZINC001545803187 1067111972 /nfs/dbraw/zinc/11/19/72/1067111972.db2.gz JEJRLWZRBITBKQ-MOUTVQLLSA-N 1 1 475.722 4.713 20 0 JJADMO C[C@@H]1[C@@H](NC(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)CC[N@H+]1Cc1ccccc1 ZINC001450796598 1067122463 /nfs/dbraw/zinc/12/24/63/1067122463.db2.gz OYKZQCYYPJEJMR-HXOBKFHXSA-N 1 1 452.549 4.976 20 0 JJADMO CCC(O)(CC)Cn1c(-c2ccc(C)o2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001546026298 1067124188 /nfs/dbraw/zinc/12/41/88/1067124188.db2.gz KKDVLLFVZLINQI-REWPJTCUSA-N 1 1 465.642 4.887 20 0 JJADMO CCC(O)(CC)Cn1c(-c2ccc(Br)s2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001546026376 1067125620 /nfs/dbraw/zinc/12/56/20/1067125620.db2.gz MTZFEJVVYYNAKZ-MRXNPFEDSA-N 1 1 496.519 4.631 20 0 JJADMO CC[C@H](c1nnc(S[C@H]2CCO[C@@H](c3cccnc3)C2)n1-c1ccc(OC)cc1)[NH+](C)C ZINC001458738188 1067126960 /nfs/dbraw/zinc/12/69/60/1067126960.db2.gz RXLLMDDALBNOHZ-BHDDXSALSA-N 1 1 453.612 4.696 20 0 JJADMO C[C@@]1(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC(c2cccc(Cl)c2F)=NO1 ZINC001450838722 1067129710 /nfs/dbraw/zinc/12/97/10/1067129710.db2.gz BXVHDEFIBDNIMW-CLOONOSVSA-N 1 1 457.977 4.781 20 0 JJADMO CCOc1ccc(-n2c(SC[C@@H](C)C[NH+]3CCOCC3)nnc2-c2cccc(C)c2)cc1 ZINC001458743636 1067129747 /nfs/dbraw/zinc/12/97/47/1067129747.db2.gz FIQWLYGWTWMNJF-FQEVSTJZSA-N 1 1 452.624 4.702 20 0 JJADMO C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001458833562 1067162411 /nfs/dbraw/zinc/16/24/11/1067162411.db2.gz CDZPJLWENDIHNA-RSXYBDTESA-N 1 1 458.046 4.504 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001545826094 1067172662 /nfs/dbraw/zinc/17/26/62/1067172662.db2.gz FMWIGSKEFNOXHR-LJQANCHMSA-N 1 1 480.682 4.514 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2)n1CC[N@H+]1CCc2sccc2C1 ZINC001545826094 1067172665 /nfs/dbraw/zinc/17/26/65/1067172665.db2.gz FMWIGSKEFNOXHR-LJQANCHMSA-N 1 1 480.682 4.514 20 0 JJADMO CN(C(=O)CCCc1cccc(C(F)(F)F)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001458877092 1067183108 /nfs/dbraw/zinc/18/31/08/1067183108.db2.gz NXLMSYZYKKMYQK-XZOQPEGZSA-N 1 1 453.593 4.824 20 0 JJADMO CN(C(=O)CCCc1cccc(C(F)(F)F)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001458877082 1067183214 /nfs/dbraw/zinc/18/32/14/1067183214.db2.gz NXLMSYZYKKMYQK-GOTSBHOMSA-N 1 1 453.593 4.824 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(Cl)c(F)c2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001545834814 1067184761 /nfs/dbraw/zinc/18/47/61/1067184761.db2.gz BDTIVNBYTOUHHD-LJQANCHMSA-N 1 1 493.071 4.746 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2C)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001545836127 1067188424 /nfs/dbraw/zinc/18/84/24/1067188424.db2.gz CIGNSTRUKKYNCW-FQEVSTJZSA-N 1 1 468.690 4.652 20 0 JJADMO CC(C)(Oc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC001458916908 1067196513 /nfs/dbraw/zinc/19/65/13/1067196513.db2.gz XEXPOXFSOFTJCV-IBGZPJMESA-N 1 1 452.542 4.597 20 0 JJADMO CC(C)(Oc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC001458916908 1067196517 /nfs/dbraw/zinc/19/65/17/1067196517.db2.gz XEXPOXFSOFTJCV-IBGZPJMESA-N 1 1 452.542 4.597 20 0 JJADMO Cc1cc(CNC(=O)OC(C)(C)C)cc(NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)c1 ZINC001451934051 1067199487 /nfs/dbraw/zinc/19/94/87/1067199487.db2.gz JLCWQKWDYVHNHG-HSZRJFAPSA-N 1 1 451.611 4.913 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001545848904 1067201527 /nfs/dbraw/zinc/20/15/27/1067201527.db2.gz HVJZRBAESWJNCM-AANQFLQQSA-N 1 1 494.728 4.980 20 0 JJADMO CC(C)[N@@H+](CCO)CC1CCN(C(=O)COc2ccc(Cl)cc2C2CCCCC2)CC1 ZINC001452070599 1067206020 /nfs/dbraw/zinc/20/60/20/1067206020.db2.gz URXBWDXNSQVEQP-UHFFFAOYSA-N 1 1 451.051 4.708 20 0 JJADMO CCC1(CC)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001546105106 1067208015 /nfs/dbraw/zinc/20/80/15/1067208015.db2.gz VEKJVLZKOWXSFP-JOCHJYFZSA-N 1 1 491.627 4.920 20 0 JJADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCCCN(C(=O)OC(C)(C)C)C2CC2)c1 ZINC001452162839 1067211614 /nfs/dbraw/zinc/21/16/14/1067211614.db2.gz WVYPLUSEJIWWDV-UHFFFAOYSA-N 1 1 451.611 4.838 20 0 JJADMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccn1-c1c(Cl)cccc1Cl ZINC001458970505 1067213028 /nfs/dbraw/zinc/21/30/28/1067213028.db2.gz BUWBOHNFDMZEAX-LJQANCHMSA-N 1 1 458.389 4.805 20 0 JJADMO CCC(O)(CC)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001546036787 1067214388 /nfs/dbraw/zinc/21/43/88/1067214388.db2.gz JBNLPVBNSGFOLO-LJQANCHMSA-N 1 1 471.646 4.504 20 0 JJADMO CCC(O)(CC)Cn1c(Cc2ccsc2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001546038291 1067221940 /nfs/dbraw/zinc/22/19/40/1067221940.db2.gz IFPPGDMOXYKHGD-NRFANRHFSA-N 1 1 473.731 4.962 20 0 JJADMO CCC(O)(CC)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001546039743 1067230047 /nfs/dbraw/zinc/23/00/47/1067230047.db2.gz JNZFDLLHIGYOPI-DNQXCXABSA-N 1 1 483.701 4.807 20 0 JJADMO CCC(O)(CC)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001546039745 1067230133 /nfs/dbraw/zinc/23/01/33/1067230133.db2.gz JNZFDLLHIGYOPI-ZEQRLZLVSA-N 1 1 483.701 4.807 20 0 JJADMO CN(C(=O)OC(C)(C)C)[C@H](C(=O)NC[C@@]12CC[N@@H+](C1)CCC2)c1cccc(Cl)c1Cl ZINC001452596770 1067235729 /nfs/dbraw/zinc/23/57/29/1067235729.db2.gz DLQMIXAVDRKARM-PGRDOPGGSA-N 1 1 456.414 4.504 20 0 JJADMO CC(C)[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)[C@H](C)NC(=O)OC(C)(C)C ZINC001459076163 1067245977 /nfs/dbraw/zinc/24/59/77/1067245977.db2.gz PBWXTXVPFMVBPK-KBXCAEBGSA-N 1 1 456.425 4.635 20 0 JJADMO CC1(C)[C@H](NC(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)C[C@H]1[NH+]1CCOCC1 ZINC001452714112 1067246129 /nfs/dbraw/zinc/24/61/29/1067246129.db2.gz MXLFDRFAMUCPFD-NHCUHLMSSA-N 1 1 450.476 4.741 20 0 JJADMO CC(C)[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)[C@H](C)NC(=O)OC(C)(C)C ZINC001459076169 1067246262 /nfs/dbraw/zinc/24/62/62/1067246262.db2.gz PBWXTXVPFMVBPK-KSSFIOAISA-N 1 1 456.425 4.635 20 0 JJADMO C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC001452769571 1067250724 /nfs/dbraw/zinc/25/07/24/1067250724.db2.gz JFGSUEPBQZHDDA-FUCAVZNHSA-N 1 1 455.593 4.654 20 0 JJADMO C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC001452769571 1067250727 /nfs/dbraw/zinc/25/07/27/1067250727.db2.gz JFGSUEPBQZHDDA-FUCAVZNHSA-N 1 1 455.593 4.654 20 0 JJADMO Cc1cc(C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001452968438 1067269160 /nfs/dbraw/zinc/26/91/60/1067269160.db2.gz DFVPKNGFAYIFKL-HXUWFJFHSA-N 1 1 457.405 4.877 20 0 JJADMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)CN(Cc2ccco2)c2cccc(Cl)c2)C1 ZINC001452970039 1067269606 /nfs/dbraw/zinc/26/96/06/1067269606.db2.gz JSSOYGMICYALHV-DEOSSOPVSA-N 1 1 451.998 4.715 20 0 JJADMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)CN(Cc2ccco2)c2cccc(Cl)c2)C1 ZINC001452970040 1067269648 /nfs/dbraw/zinc/26/96/48/1067269648.db2.gz JSSOYGMICYALHV-XMMPIXPASA-N 1 1 451.998 4.715 20 0 JJADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)COc2c(Cl)cccc2Br)CC1 ZINC001459232198 1067274598 /nfs/dbraw/zinc/27/45/98/1067274598.db2.gz VDLXKVICBFXMBD-UHFFFAOYSA-N 1 1 451.792 4.524 20 0 JJADMO C[C@@H](Sc1nc(C2CCCCC2)cs1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC001459239893 1067276160 /nfs/dbraw/zinc/27/61/60/1067276160.db2.gz OVHXLSLLOUOQRO-GOSISDBHSA-N 1 1 459.681 4.820 20 0 JJADMO CCc1[nH+]c(C)cn1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(OC)cc1)CCCC2 ZINC001459244466 1067276781 /nfs/dbraw/zinc/27/67/81/1067276781.db2.gz WZOAYHJBZYDJJO-UHFFFAOYSA-N 1 1 452.580 4.594 20 0 JJADMO CCN(C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1)[C@H]1CC[N@@H+](CC)C1 ZINC001453177686 1067286988 /nfs/dbraw/zinc/28/69/88/1067286988.db2.gz MKWFVBQHQIKRKC-FQEVSTJZSA-N 1 1 458.400 4.566 20 0 JJADMO Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(C(=O)NCc4ccc(C)c(F)c4)CC3)o2)cc1C ZINC001459309219 1067290004 /nfs/dbraw/zinc/29/00/04/1067290004.db2.gz KCUNMPNVKMFQFF-LJQANCHMSA-N 1 1 450.558 4.890 20 0 JJADMO Cc1nc(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)nn1-c1c(Cl)cccc1Cl ZINC001459317561 1067293137 /nfs/dbraw/zinc/29/31/37/1067293137.db2.gz XHWHFFZGFXGUSH-HXUWFJFHSA-N 1 1 458.393 4.523 20 0 JJADMO Cc1ccc([C@@H](C)[N@@H+](C)CC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)c(C)c1 ZINC001459349393 1067300772 /nfs/dbraw/zinc/30/07/72/1067300772.db2.gz KWZAEEYUIRSONL-LJQANCHMSA-N 1 1 459.546 4.916 20 0 JJADMO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[N@H+](C)Cc1cccc(Br)c1 ZINC001459350929 1067301283 /nfs/dbraw/zinc/30/12/83/1067301283.db2.gz YIZFAPCQPNKSFB-ZDUSSCGKSA-N 1 1 453.402 4.709 20 0 JJADMO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(Br)c1 ZINC001459350929 1067301291 /nfs/dbraw/zinc/30/12/91/1067301291.db2.gz YIZFAPCQPNKSFB-ZDUSSCGKSA-N 1 1 453.402 4.709 20 0 JJADMO O=C(CC[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1)Nc1ccccc1C(F)(F)F ZINC001459356657 1067302358 /nfs/dbraw/zinc/30/23/58/1067302358.db2.gz QIAMXLVRWSRALK-UHFFFAOYSA-N 1 1 453.892 4.536 20 0 JJADMO CC[N@H+](CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1cccc(Br)c1 ZINC001459371075 1067305697 /nfs/dbraw/zinc/30/56/97/1067305697.db2.gz PPTHLACFYIWEIU-UHFFFAOYSA-N 1 1 458.400 4.582 20 0 JJADMO CC[N@@H+](CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1cccc(Br)c1 ZINC001459371075 1067305707 /nfs/dbraw/zinc/30/57/07/1067305707.db2.gz PPTHLACFYIWEIU-UHFFFAOYSA-N 1 1 458.400 4.582 20 0 JJADMO Cc1ccc(C[C@H]2CCC[N@H+](CC(=O)N3c4ccccc4NC(=O)C[C@@H]3C(F)(F)F)C2)cc1 ZINC001459393478 1067312002 /nfs/dbraw/zinc/31/20/02/1067312002.db2.gz OFHHSRFBJXVGFR-DENIHFKCSA-N 1 1 459.512 4.556 20 0 JJADMO Cc1ccc(C[C@H]2CCC[N@@H+](CC(=O)N3c4ccccc4NC(=O)C[C@@H]3C(F)(F)F)C2)cc1 ZINC001459393478 1067312019 /nfs/dbraw/zinc/31/20/19/1067312019.db2.gz OFHHSRFBJXVGFR-DENIHFKCSA-N 1 1 459.512 4.556 20 0 JJADMO C[N@@H+](C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC001459401940 1067314221 /nfs/dbraw/zinc/31/42/21/1067314221.db2.gz WFCHGTPUFQRLNA-KMDXXIMOSA-N 1 1 458.643 4.892 20 0 JJADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC001459414651 1067318106 /nfs/dbraw/zinc/31/81/06/1067318106.db2.gz KYRFLLGZIHJSIO-QFIPXVFZSA-N 1 1 454.412 4.890 20 0 JJADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(F)(F)c1ccc(Br)cc1 ZINC001459416259 1067319116 /nfs/dbraw/zinc/31/91/16/1067319116.db2.gz MEEWJGAGPYFVCM-LJQANCHMSA-N 1 1 451.355 4.958 20 0 JJADMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(-c3ccc(Br)cc3)cc2)C1 ZINC001459424132 1067322153 /nfs/dbraw/zinc/32/21/53/1067322153.db2.gz YDCIQDBFSPOAMP-FDDCHVKYSA-N 1 1 459.428 4.634 20 0 JJADMO C[N@@H+](CCN1CCN(c2ccc(Br)cc2C(F)(F)F)CC1)Cc1ccccc1 ZINC001459428901 1067323444 /nfs/dbraw/zinc/32/34/44/1067323444.db2.gz VTCVIWWZCHQJNO-UHFFFAOYSA-N 1 1 456.350 4.722 20 0 JJADMO CCOC(=O)c1ccc2c(c1)nc(C[NH+]1CCC([C@@H](O)c3ccc(Cl)cc3)CC1)n2CC ZINC001459453603 1067326731 /nfs/dbraw/zinc/32/67/31/1067326731.db2.gz IXEPLIKUFZMKDA-DEOSSOPVSA-N 1 1 455.986 4.832 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H]([N@H+](CC(=O)Nc2ccc(F)cc2F)Cc2ccccc2)C1 ZINC001459452819 1067327009 /nfs/dbraw/zinc/32/70/09/1067327009.db2.gz AZDKIGDRZLRWCC-FQEVSTJZSA-N 1 1 459.537 4.805 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H]([N@@H+](CC(=O)Nc2ccc(F)cc2F)Cc2ccccc2)C1 ZINC001459452819 1067327018 /nfs/dbraw/zinc/32/70/18/1067327018.db2.gz AZDKIGDRZLRWCC-FQEVSTJZSA-N 1 1 459.537 4.805 20 0 JJADMO O=C1[C@@H]([NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)CCN1c1ccc(C(F)(F)F)cc1 ZINC001459455512 1067327668 /nfs/dbraw/zinc/32/76/68/1067327668.db2.gz LKPGLJOKVLKPKO-SFTDATJTSA-N 1 1 452.904 4.910 20 0 JJADMO CC[C@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)O1 ZINC001546054643 1067327675 /nfs/dbraw/zinc/32/76/75/1067327675.db2.gz PYOAWVFTXQHTHJ-WHCXKFMVSA-N 1 1 453.675 4.925 20 0 JJADMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCCn2cc(-c3cccc(NC(=O)OC(C)(C)C)c3)nc21 ZINC001453768764 1067328444 /nfs/dbraw/zinc/32/84/44/1067328444.db2.gz FABLZUMQBYZQQE-NRFANRHFSA-N 1 1 453.587 4.507 20 0 JJADMO COc1ccc2cc(CN(C)C(=O)[C@@H](C)N3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)ccc2c1 ZINC001459460801 1067329373 /nfs/dbraw/zinc/32/93/73/1067329373.db2.gz XVZYZQYWHFTDEG-JOCHJYFZSA-N 1 1 459.634 4.792 20 0 JJADMO COC(=O)c1cccc(NC(=O)C[N@H+](Cc2ccccc2OC(F)(F)F)C2CCCC2)c1 ZINC001459466253 1067331310 /nfs/dbraw/zinc/33/13/10/1067331310.db2.gz KSMAPHUTTJLSPY-UHFFFAOYSA-N 1 1 450.457 4.755 20 0 JJADMO COC(=O)c1cccc(NC(=O)C[N@@H+](Cc2ccccc2OC(F)(F)F)C2CCCC2)c1 ZINC001459466253 1067331322 /nfs/dbraw/zinc/33/13/22/1067331322.db2.gz KSMAPHUTTJLSPY-UHFFFAOYSA-N 1 1 450.457 4.755 20 0 JJADMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[N@H+](C)CCN(C)c1ccccc1 ZINC001459471438 1067333604 /nfs/dbraw/zinc/33/36/04/1067333604.db2.gz YVOXRQNDCVDBTE-QFIPXVFZSA-N 1 1 458.606 4.527 20 0 JJADMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[N@@H+](C)CCN(C)c1ccccc1 ZINC001459471438 1067333614 /nfs/dbraw/zinc/33/36/14/1067333614.db2.gz YVOXRQNDCVDBTE-QFIPXVFZSA-N 1 1 458.606 4.527 20 0 JJADMO O=C(C[NH+]1CCC(OCCc2ccccc2)CC1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC001459480013 1067335750 /nfs/dbraw/zinc/33/57/50/1067335750.db2.gz CXOWRWNHUNRGRK-UHFFFAOYSA-N 1 1 452.982 4.940 20 0 JJADMO CC(C)(C)OC(=O)N1CCN(C(=O)CC[N@H+]2CCCCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001459490413 1067337607 /nfs/dbraw/zinc/33/76/07/1067337607.db2.gz OZHLBTPOVAAQFG-OAQYLSRUSA-N 1 1 450.023 4.727 20 0 JJADMO Cc1ccccc1COc1c(C)cc(C[N@H+](C)CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1C ZINC001459505233 1067339985 /nfs/dbraw/zinc/33/99/85/1067339985.db2.gz CEVXVZYQTMOCFS-UHFFFAOYSA-N 1 1 458.562 4.843 20 0 JJADMO Cc1ccccc1COc1c(C)cc(C[N@@H+](C)CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1C ZINC001459505233 1067339994 /nfs/dbraw/zinc/33/99/94/1067339994.db2.gz CEVXVZYQTMOCFS-UHFFFAOYSA-N 1 1 458.562 4.843 20 0 JJADMO CC[C@@H]1C[N@@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001459510669 1067341437 /nfs/dbraw/zinc/34/14/37/1067341437.db2.gz DARJFHJTTSHQBM-DNVJHFABSA-N 1 1 459.631 4.755 20 0 JJADMO Cc1ccccc1COc1c(C)cc(C[N@@H+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)cc1C ZINC001459516505 1067343240 /nfs/dbraw/zinc/34/32/40/1067343240.db2.gz UCAHLJAVJQAYSR-UHFFFAOYSA-N 1 1 456.608 4.666 20 0 JJADMO Cc1ccccc1COc1c(C)cc(C[N@H+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)cc1C ZINC001459516505 1067343253 /nfs/dbraw/zinc/34/32/53/1067343253.db2.gz UCAHLJAVJQAYSR-UHFFFAOYSA-N 1 1 456.608 4.666 20 0 JJADMO CC(C)OCc1cccc(CNC(=O)C[N@@H+](C)CC2(c3ccc(Br)cc3)CC2)c1 ZINC001459531858 1067346623 /nfs/dbraw/zinc/34/66/23/1067346623.db2.gz VMRBCEPVAHPXLE-UHFFFAOYSA-N 1 1 459.428 4.654 20 0 JJADMO CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001459538312 1067347528 /nfs/dbraw/zinc/34/75/28/1067347528.db2.gz DVVMCFQGUUQONJ-IBGZPJMESA-N 1 1 451.592 4.593 20 0 JJADMO COc1ccc2c(c1)[C@@H]([N@H+](Cc1ccccc1)C[C@@H](O)c1cc(Br)no1)CCO2 ZINC001459566568 1067353661 /nfs/dbraw/zinc/35/36/61/1067353661.db2.gz AYOBKBHWWHKRFZ-RBUKOAKNSA-N 1 1 459.340 4.505 20 0 JJADMO Cc1ccc(C(C)(C)C[N@@H+](C)CC(=O)Nc2ccc(I)cc2C)cc1 ZINC001459576171 1067355628 /nfs/dbraw/zinc/35/56/28/1067355628.db2.gz MARWFBIBEJZFCM-UHFFFAOYSA-N 1 1 450.364 4.756 20 0 JJADMO Cc1c[nH+]ccc1OC1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Br)CC1 ZINC001459595080 1067359489 /nfs/dbraw/zinc/35/94/89/1067359489.db2.gz QJFTYLMLWDTORH-AWEZNQCLSA-N 1 1 453.764 4.643 20 0 JJADMO CS(=O)(=O)c1ccc(F)c(NC(=O)C[N@H+](C2CC2)[C@H]2CCCC[C@@H]2C2CCCCC2)c1 ZINC001459594293 1067359631 /nfs/dbraw/zinc/35/96/31/1067359631.db2.gz MENAIZXGTBZKHY-OFNKIYASSA-N 1 1 450.620 4.771 20 0 JJADMO CS(=O)(=O)c1ccc(F)c(NC(=O)C[N@@H+](C2CC2)[C@H]2CCCC[C@@H]2C2CCCCC2)c1 ZINC001459594293 1067359644 /nfs/dbraw/zinc/35/96/44/1067359644.db2.gz MENAIZXGTBZKHY-OFNKIYASSA-N 1 1 450.620 4.771 20 0 JJADMO O=C(C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1)NCc1ccc(OC(F)(F)F)cc1 ZINC001459604567 1067360727 /nfs/dbraw/zinc/36/07/27/1067360727.db2.gz AJWBHFHNGVZOQO-HKUYNNGSSA-N 1 1 456.530 4.631 20 0 JJADMO CC[N@H+](C)C[C@H]1CCN(C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001459609475 1067362557 /nfs/dbraw/zinc/36/25/57/1067362557.db2.gz MPQQSNBQSWICFK-WZONZLPQSA-N 1 1 451.438 4.734 20 0 JJADMO CC[N@@H+](C)C[C@H]1CCN(C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001459609475 1067362570 /nfs/dbraw/zinc/36/25/70/1067362570.db2.gz MPQQSNBQSWICFK-WZONZLPQSA-N 1 1 451.438 4.734 20 0 JJADMO CN(CCOc1ccccc1F)C(=O)C[N@@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001459612411 1067364117 /nfs/dbraw/zinc/36/41/17/1067364117.db2.gz GKWCMQWMLQBDFC-KRWDZBQOSA-N 1 1 455.357 4.513 20 0 JJADMO CN(CCOc1ccccc1F)C(=O)C[N@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001459612411 1067364129 /nfs/dbraw/zinc/36/41/29/1067364129.db2.gz GKWCMQWMLQBDFC-KRWDZBQOSA-N 1 1 455.357 4.513 20 0 JJADMO COc1cc2ccccc2cc1-c1nnc(C[N@@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC001459614361 1067364674 /nfs/dbraw/zinc/36/46/74/1067364674.db2.gz PWQUFLCCWRCQNJ-UHFFFAOYSA-N 1 1 452.555 4.730 20 0 JJADMO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cc3ccccc3[nH]2)cc1 ZINC001459626240 1067367227 /nfs/dbraw/zinc/36/72/27/1067367227.db2.gz ZZXZQRSLXWUPPX-GOSISDBHSA-N 1 1 456.546 4.888 20 0 JJADMO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc3ccccc3[nH]2)cc1 ZINC001459626240 1067367239 /nfs/dbraw/zinc/36/72/39/1067367239.db2.gz ZZXZQRSLXWUPPX-GOSISDBHSA-N 1 1 456.546 4.888 20 0 JJADMO COc1ccc([C@@H](CNC(=O)OC(C)(C)C)CN2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)cc1 ZINC001459627490 1067367604 /nfs/dbraw/zinc/36/76/04/1067367604.db2.gz RTTHPQPVDZJJHA-ZEQRLZLVSA-N 1 1 453.627 4.510 20 0 JJADMO COc1ccc([C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]2CC[C@H](N(C)Cc3ccccc3)C2)cc1 ZINC001459627490 1067367607 /nfs/dbraw/zinc/36/76/07/1067367607.db2.gz RTTHPQPVDZJJHA-ZEQRLZLVSA-N 1 1 453.627 4.510 20 0 JJADMO COc1ccc([C@@H](CNC(=O)OC(C)(C)C)C[N@H+]2CC[C@H](N(C)Cc3ccccc3)C2)cc1 ZINC001459627490 1067367617 /nfs/dbraw/zinc/36/76/17/1067367617.db2.gz RTTHPQPVDZJJHA-ZEQRLZLVSA-N 1 1 453.627 4.510 20 0 JJADMO C[N@H+](Cc1cc(Cl)ccc1OCc1cccnc1)C1CCN(CCc2ccccn2)CC1 ZINC001459628562 1067368264 /nfs/dbraw/zinc/36/82/64/1067368264.db2.gz WOZTWTSNPNMTMV-UHFFFAOYSA-N 1 1 451.014 4.848 20 0 JJADMO C[N@@H+](Cc1cc(Cl)ccc1OCc1cccnc1)C1CCN(CCc2ccccn2)CC1 ZINC001459628562 1067368274 /nfs/dbraw/zinc/36/82/74/1067368274.db2.gz WOZTWTSNPNMTMV-UHFFFAOYSA-N 1 1 451.014 4.848 20 0 JJADMO C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001459649211 1067371979 /nfs/dbraw/zinc/37/19/79/1067371979.db2.gz DQWFIVRYKHCUCT-OALUTQOASA-N 1 1 458.599 4.889 20 0 JJADMO C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001459649211 1067371990 /nfs/dbraw/zinc/37/19/90/1067371990.db2.gz DQWFIVRYKHCUCT-OALUTQOASA-N 1 1 458.599 4.889 20 0 JJADMO COc1ccc2c(c1)C[N@H+](CC(=O)NCCCOc1ccccc1F)[C@H](C1CCCCC1)C2 ZINC001459664194 1067375875 /nfs/dbraw/zinc/37/58/75/1067375875.db2.gz LBNPFONKJSTRCC-VWLOTQADSA-N 1 1 454.586 4.727 20 0 JJADMO CS(=O)(=O)c1ccc(-c2nc(C[N@@H+]3CCCCC[C@@H]3C[C@H](O)c3ccccc3)co2)cc1 ZINC001459669560 1067378423 /nfs/dbraw/zinc/37/84/23/1067378423.db2.gz IXQPMQDDFUUMRH-VWNXMTODSA-N 1 1 454.592 4.613 20 0 JJADMO CS(=O)(=O)c1ccc(-c2nc(C[N@H+]3CCCCC[C@@H]3C[C@H](O)c3ccccc3)co2)cc1 ZINC001459669560 1067378434 /nfs/dbraw/zinc/37/84/34/1067378434.db2.gz IXQPMQDDFUUMRH-VWNXMTODSA-N 1 1 454.592 4.613 20 0 JJADMO COC(=O)[C@H](c1cccc(Cl)c1)N1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC001459671223 1067378454 /nfs/dbraw/zinc/37/84/54/1067378454.db2.gz NEUMJCVXTVXZNR-FQEVSTJZSA-N 1 1 457.785 4.558 20 0 JJADMO COC(=O)[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC001459671230 1067378925 /nfs/dbraw/zinc/37/89/25/1067378925.db2.gz NEUMJCVXTVXZNR-HXUWFJFHSA-N 1 1 457.785 4.558 20 0 JJADMO CC(C)(C)OC(=O)NCCCCCCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC001459671299 1067378977 /nfs/dbraw/zinc/37/89/77/1067378977.db2.gz LUYHAUWZIPIUFJ-JOCHJYFZSA-N 1 1 459.631 4.890 20 0 JJADMO Cc1cccc(Oc2ccc(NC(=O)C[N@@H+]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C3)cc2)c1 ZINC001459672211 1067379123 /nfs/dbraw/zinc/37/91/23/1067379123.db2.gz OVVHAAOKMLQBQG-AUSIDOKSSA-N 1 1 453.583 4.961 20 0 JJADMO Cc1cccc(Oc2ccc(NC(=O)C[N@H+]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C3)cc2)c1 ZINC001459672211 1067379131 /nfs/dbraw/zinc/37/91/31/1067379131.db2.gz OVVHAAOKMLQBQG-AUSIDOKSSA-N 1 1 453.583 4.961 20 0 JJADMO CC[N@@H+](C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001459672169 1067379208 /nfs/dbraw/zinc/37/92/08/1067379208.db2.gz OMMWVMBZHOBNPG-LEWJYISDSA-N 1 1 459.679 4.893 20 0 JJADMO COc1cccc([C@H](O)C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2Br)c1 ZINC001459673892 1067379751 /nfs/dbraw/zinc/37/97/51/1067379751.db2.gz VQMKLQAJVBPTON-DNQXCXABSA-N 1 1 456.380 4.727 20 0 JJADMO CN(Cc1ccnc(-c2ccc(Br)cc2)n1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001459676536 1067380826 /nfs/dbraw/zinc/38/08/26/1067380826.db2.gz XKPQIQVAEIVLLW-HXUWFJFHSA-N 1 1 451.412 4.860 20 0 JJADMO Cc1ccc(C(=O)NC2CC[NH+](CC(=O)N(Cc3ccc(C(C)C)cc3)C3CC3)CC2)s1 ZINC001459683768 1067382438 /nfs/dbraw/zinc/38/24/38/1067382438.db2.gz DGDMMWKNGPUXGM-UHFFFAOYSA-N 1 1 453.652 4.565 20 0 JJADMO Cc1cc(C)c(CCNC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)c(C)c1 ZINC001459684501 1067382632 /nfs/dbraw/zinc/38/26/32/1067382632.db2.gz IMGMEOMMHCYFRB-RPWUZVMVSA-N 1 1 457.659 4.525 20 0 JJADMO Cc1cc(=O)oc2cc(OCC[N@H+]3CCCC[C@H]3[C@@H]3CCCN3C(=O)OC(C)(C)C)ccc12 ZINC001459686314 1067383388 /nfs/dbraw/zinc/38/33/88/1067383388.db2.gz NJXPOHIPFDFFQH-VXKWHMMOSA-N 1 1 456.583 4.734 20 0 JJADMO CC[C@H](C)[N@@H+](CCC(=O)Nc1cccc(Br)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC001459690858 1067385053 /nfs/dbraw/zinc/38/50/53/1067385053.db2.gz ALWJKQLDBKPTQK-HNNXBMFYSA-N 1 1 457.372 4.727 20 0 JJADMO CCCc1ccc(-c2csc(NC(=O)C[NH2+][C@@H](c3ccccc3)[C@H](C)C(=O)OC)n2)cc1 ZINC001459703526 1067388554 /nfs/dbraw/zinc/38/85/54/1067388554.db2.gz FDNZTDPRZFCARR-GAJHUEQPSA-N 1 1 451.592 4.841 20 0 JJADMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ncc(-c4ccc(Br)cc4)o3)C2)n1 ZINC001459741141 1067402039 /nfs/dbraw/zinc/40/20/39/1067402039.db2.gz ITIZUYLUWFOIDW-QGZVFWFLSA-N 1 1 455.356 4.658 20 0 JJADMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ncc(-c4ccc(Br)cc4)o3)C2)n1 ZINC001459741141 1067402043 /nfs/dbraw/zinc/40/20/43/1067402043.db2.gz ITIZUYLUWFOIDW-QGZVFWFLSA-N 1 1 455.356 4.658 20 0 JJADMO Cc1ccc(S(=O)(=O)N[C@H](CC[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)c2ccccc2)cc1 ZINC001459762262 1067412444 /nfs/dbraw/zinc/41/24/44/1067412444.db2.gz HQSYMRAIZHBQOQ-HFZDXXHNSA-N 1 1 452.620 4.673 20 0 JJADMO Cc1cccc([C@@H](O)C[N@H+](Cc2ccccc2)C[C@H](O)COc2cccc(C(F)(F)F)c2)c1 ZINC001459762318 1067412917 /nfs/dbraw/zinc/41/29/17/1067412917.db2.gz IEJJBUTUONQTAJ-ZCYQVOJMSA-N 1 1 459.508 4.989 20 0 JJADMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2[C@H](c2ccc(F)cc2)c2ccc(Br)cc2)cn1 ZINC001459766907 1067413881 /nfs/dbraw/zinc/41/38/81/1067413881.db2.gz BTWFEDQRGLOOSS-ZLNRFVROSA-N 1 1 458.375 4.999 20 0 JJADMO O=C(C[N@H+](Cc1ccccc1)C[C@H](O)c1ccsc1)Nc1ccc(OC(F)(F)F)cc1 ZINC001459771898 1067415596 /nfs/dbraw/zinc/41/55/96/1067415596.db2.gz OFNZBHSXLWCCCV-FQEVSTJZSA-N 1 1 450.482 4.821 20 0 JJADMO O=C(C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1)Nc1ccc(OC(F)(F)F)cc1 ZINC001459771898 1067415602 /nfs/dbraw/zinc/41/56/02/1067415602.db2.gz OFNZBHSXLWCCCV-FQEVSTJZSA-N 1 1 450.482 4.821 20 0 JJADMO Cc1cc(NC(=O)C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)ccc1Br ZINC001459772571 1067416179 /nfs/dbraw/zinc/41/61/79/1067416179.db2.gz PJIITJPBMMPUDW-NRFANRHFSA-N 1 1 459.409 4.993 20 0 JJADMO Cc1cc(NC(=O)C[N@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)ccc1Br ZINC001459772571 1067416181 /nfs/dbraw/zinc/41/61/81/1067416181.db2.gz PJIITJPBMMPUDW-NRFANRHFSA-N 1 1 459.409 4.993 20 0 JJADMO CC(C)Oc1cc(C[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C2CC2)ccn1 ZINC001459774016 1067416663 /nfs/dbraw/zinc/41/66/63/1067416663.db2.gz LKRYTIUXTAVRTP-UHFFFAOYSA-N 1 1 450.352 4.764 20 0 JJADMO O=C(C[N@@H+]([C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCC[C@H](C(F)(F)F)C1)Nc1cnccn1 ZINC001459781050 1067418295 /nfs/dbraw/zinc/41/82/95/1067418295.db2.gz YZUYRTWCKQVMBV-YHUYYLMFSA-N 1 1 452.443 4.959 20 0 JJADMO CC[NH+](CC)[C@H](C(=O)Nc1ccc(F)c(N2CCOC2=O)c1)c1cccc(C(F)(F)F)c1 ZINC001459781658 1067418709 /nfs/dbraw/zinc/41/87/09/1067418709.db2.gz VICLBACKMABCDW-IBGZPJMESA-N 1 1 453.436 4.823 20 0 JJADMO COc1ccc(C[N@@H+](CC(=O)NC(=O)Nc2cccc(C)c2C)C2CCCCC2)cc1OC ZINC001459787592 1067422234 /nfs/dbraw/zinc/42/22/34/1067422234.db2.gz UZLJWLNKNIJOER-UHFFFAOYSA-N 1 1 453.583 4.804 20 0 JJADMO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC001459788371 1067422820 /nfs/dbraw/zinc/42/28/20/1067422820.db2.gz BODVOTWSWPFRQT-FDDCHVKYSA-N 1 1 454.018 4.868 20 0 JJADMO O[C@H](COc1ccccc1C(F)(F)F)C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001459790051 1067423403 /nfs/dbraw/zinc/42/34/03/1067423403.db2.gz ZKKJHUSHDZXZJE-STQMWFEESA-N 1 1 454.436 4.800 20 0 JJADMO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001459794792 1067427079 /nfs/dbraw/zinc/42/70/79/1067427079.db2.gz FAMNYUNNWDUICF-RTBURBONSA-N 1 1 456.608 4.506 20 0 JJADMO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001459794792 1067427081 /nfs/dbraw/zinc/42/70/81/1067427081.db2.gz FAMNYUNNWDUICF-RTBURBONSA-N 1 1 456.608 4.506 20 0 JJADMO Cc1ccc2c(C[NH+]3CCN(Cc4ccc(Br)c(F)c4)CC3)cc(=O)oc2c1C ZINC001459798956 1067428636 /nfs/dbraw/zinc/42/86/36/1067428636.db2.gz XQMKHZIKMPSICV-UHFFFAOYSA-N 1 1 459.359 4.629 20 0 JJADMO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001459807324 1067431605 /nfs/dbraw/zinc/43/16/05/1067431605.db2.gz ZNDZSJBLNJDISZ-AESZEHBQSA-N 1 1 456.414 4.946 20 0 JJADMO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001459807324 1067431609 /nfs/dbraw/zinc/43/16/09/1067431609.db2.gz ZNDZSJBLNJDISZ-AESZEHBQSA-N 1 1 456.414 4.946 20 0 JJADMO CCC[C@H]1CN([C@@H]2CCc3cc(Br)ccc3NC2=O)CC[N@H+]1Cc1ccccc1 ZINC001459812190 1067433930 /nfs/dbraw/zinc/43/39/30/1067433930.db2.gz CIFYAVPNKFMTTF-JTHBVZDNSA-N 1 1 456.428 4.689 20 0 JJADMO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC001459814690 1067435345 /nfs/dbraw/zinc/43/53/45/1067435345.db2.gz WORJFKQAYWYIBH-AZUAARDMSA-N 1 1 457.640 4.723 20 0 JJADMO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC001459814690 1067435348 /nfs/dbraw/zinc/43/53/48/1067435348.db2.gz WORJFKQAYWYIBH-AZUAARDMSA-N 1 1 457.640 4.723 20 0 JJADMO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 ZINC001459820611 1067438280 /nfs/dbraw/zinc/43/82/80/1067438280.db2.gz SVOFXPBJHVGOEW-FQRUVTKNSA-N 1 1 457.574 4.647 20 0 JJADMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 ZINC001459820611 1067438282 /nfs/dbraw/zinc/43/82/82/1067438282.db2.gz SVOFXPBJHVGOEW-FQRUVTKNSA-N 1 1 457.574 4.647 20 0 JJADMO C[C@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc2[C@@H]1O)c1ccc(F)cc1OC(F)F ZINC001459825961 1067441357 /nfs/dbraw/zinc/44/13/57/1067441357.db2.gz VWFPVIFUVFJDJH-ZLXGRDSLSA-N 1 1 452.473 4.935 20 0 JJADMO CCC1(CC)CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCC[NH+]2CCOCC2)C1 ZINC001546112147 1067443562 /nfs/dbraw/zinc/44/35/62/1067443562.db2.gz FLLRPVPPSZUTJG-UHFFFAOYSA-N 1 1 483.701 4.893 20 0 JJADMO C[N@@H+](C[C@H](O)CN[C@@H](Cc1c(F)cccc1Cl)c1ccccc1Br)C1CC1 ZINC001459842186 1067449053 /nfs/dbraw/zinc/44/90/53/1067449053.db2.gz FUBANWLUGOTIPN-VFNWGFHPSA-N 1 1 455.799 4.570 20 0 JJADMO Cc1ccc2sc(N(Cc3ccccc3)C(=O)C[N@H+](C)C[C@@H]3CCCC[C@@H]3O)nc2c1C ZINC001459842645 1067449597 /nfs/dbraw/zinc/44/95/97/1067449597.db2.gz UMZCAYZUARZHNA-VXKWHMMOSA-N 1 1 451.636 4.929 20 0 JJADMO Cc1ccc2sc(N(Cc3ccccc3)C(=O)C[N@@H+](C)C[C@@H]3CCCC[C@@H]3O)nc2c1C ZINC001459842645 1067449599 /nfs/dbraw/zinc/44/95/99/1067449599.db2.gz UMZCAYZUARZHNA-VXKWHMMOSA-N 1 1 451.636 4.929 20 0 JJADMO Cc1ccc2sc(N(Cc3ccccc3)C(=O)C[N@H+](C)C[C@H]3CCCC[C@H]3O)nc2c1C ZINC001459842643 1067449666 /nfs/dbraw/zinc/44/96/66/1067449666.db2.gz UMZCAYZUARZHNA-FGZHOGPDSA-N 1 1 451.636 4.929 20 0 JJADMO Cc1ccc2sc(N(Cc3ccccc3)C(=O)C[N@@H+](C)C[C@H]3CCCC[C@H]3O)nc2c1C ZINC001459842643 1067449669 /nfs/dbraw/zinc/44/96/69/1067449669.db2.gz UMZCAYZUARZHNA-FGZHOGPDSA-N 1 1 451.636 4.929 20 0 JJADMO O=C(C[NH2+][C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)Nc1ccc2ccccc2c1 ZINC001459848439 1067453679 /nfs/dbraw/zinc/45/36/79/1067453679.db2.gz RNOPNXHEMDZNDR-QFIPXVFZSA-N 1 1 455.480 4.750 20 0 JJADMO Cc1ncc(CNC(=O)CC[N@@H+](Cc2ccccc2)Cc2ccc(Br)cc2)s1 ZINC001459876372 1067469376 /nfs/dbraw/zinc/46/93/76/1067469376.db2.gz GSUISIWRCYTENS-UHFFFAOYSA-N 1 1 458.425 4.923 20 0 JJADMO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001459894747 1067477283 /nfs/dbraw/zinc/47/72/83/1067477283.db2.gz XNNWKSGDEWZEFZ-FIXDAVPBSA-N 1 1 457.659 4.756 20 0 JJADMO CCOC(=O)C1=C(C[NH2+][C@@H](C)c2ccc(Cl)s2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001459915909 1067488853 /nfs/dbraw/zinc/48/88/53/1067488853.db2.gz XFDDWTURYMNUHE-BBATYDOGSA-N 1 1 454.379 4.577 20 0 JJADMO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[NH2+][C@H](CC)c3nc(C)cs3)cc2)cc1 ZINC001459930529 1067496091 /nfs/dbraw/zinc/49/60/91/1067496091.db2.gz ZCNBLFUJBFPWOG-OAQYLSRUSA-N 1 1 452.580 4.782 20 0 JJADMO COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC001459931956 1067496856 /nfs/dbraw/zinc/49/68/56/1067496856.db2.gz IYHKKSPHCPHEJZ-FZKQIMNGSA-N 1 1 457.518 4.563 20 0 JJADMO COC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC001459932535 1067496868 /nfs/dbraw/zinc/49/68/68/1067496868.db2.gz KPIAFAWXMPCOQA-LJQANCHMSA-N 1 1 457.983 4.712 20 0 JJADMO O=C(Nc1c[nH]nc1[C@H]1CCC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1)C1CCCC1 ZINC001459938939 1067499579 /nfs/dbraw/zinc/49/95/79/1067499579.db2.gz WOZYEANPRJOWJP-KRWDZBQOSA-N 1 1 450.505 4.816 20 0 JJADMO CC(C)(C)OC(=O)N1CCC2(CCC[N@H+](CC(=O)Nc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001459951626 1067504811 /nfs/dbraw/zinc/50/48/11/1067504811.db2.gz DJXPTABYQSGKGS-UHFFFAOYSA-N 1 1 455.521 4.757 20 0 JJADMO CC(C)(C)OC(=O)N1CCC2(CCC[N@@H+](CC(=O)Nc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001459951626 1067504818 /nfs/dbraw/zinc/50/48/18/1067504818.db2.gz DJXPTABYQSGKGS-UHFFFAOYSA-N 1 1 455.521 4.757 20 0 JJADMO CCOC(=O)c1sc(NC(=O)C[N@@H+](C)[C@H]2CCCC[C@H]2C)c(C(=O)OC(C)(C)C)c1C ZINC001459955777 1067506491 /nfs/dbraw/zinc/50/64/91/1067506491.db2.gz VGMBASDGXRCQEL-ZBFHGGJFSA-N 1 1 452.617 4.638 20 0 JJADMO C[N@@H+](Cc1ccc([Si](C)(C)C)cc1)Cc1cccc(Br)c1OCC(C)(C)O ZINC001459968429 1067510343 /nfs/dbraw/zinc/51/03/43/1067510343.db2.gz WMOCNMMSJDFECM-UHFFFAOYSA-N 1 1 450.493 4.776 20 0 JJADMO C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC001459981121 1067514678 /nfs/dbraw/zinc/51/46/78/1067514678.db2.gz UZKMMAPFLHYWGC-DOTOQJQBSA-N 1 1 456.414 4.598 20 0 JJADMO C[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC001459981121 1067514688 /nfs/dbraw/zinc/51/46/88/1067514688.db2.gz UZKMMAPFLHYWGC-DOTOQJQBSA-N 1 1 456.414 4.598 20 0 JJADMO C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC001459981128 1067514732 /nfs/dbraw/zinc/51/47/32/1067514732.db2.gz UZKMMAPFLHYWGC-RDJZCZTQSA-N 1 1 456.414 4.598 20 0 JJADMO C[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC001459981128 1067514743 /nfs/dbraw/zinc/51/47/43/1067514743.db2.gz UZKMMAPFLHYWGC-RDJZCZTQSA-N 1 1 456.414 4.598 20 0 JJADMO C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC001459981132 1067514792 /nfs/dbraw/zinc/51/47/92/1067514792.db2.gz UZKMMAPFLHYWGC-WBVHZDCISA-N 1 1 456.414 4.598 20 0 JJADMO C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC001459981132 1067514801 /nfs/dbraw/zinc/51/48/01/1067514801.db2.gz UZKMMAPFLHYWGC-WBVHZDCISA-N 1 1 456.414 4.598 20 0 JJADMO Cn1c2ccccc2nc1[C@H]([NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC001459987676 1067516441 /nfs/dbraw/zinc/51/64/41/1067516441.db2.gz UBNSLKOAYAVJOX-WMZHIEFXSA-N 1 1 456.373 4.999 20 0 JJADMO CC[C@@]1(CO)CCC[N@@H+](Cc2csc(=Nc3ccc(OC)cc3)n2Cc2ccccc2)C1 ZINC001460000872 1067522079 /nfs/dbraw/zinc/52/20/79/1067522079.db2.gz TUZBMYVLXSHVMJ-AREMUKBSSA-N 1 1 451.636 4.823 20 0 JJADMO CC(C)=CC[N@@H+](CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccc(Cl)cc1 ZINC001460009633 1067525535 /nfs/dbraw/zinc/52/55/35/1067525535.db2.gz UQKDJWSGOBUGLW-UHFFFAOYSA-N 1 1 450.023 4.578 20 0 JJADMO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC001460009005 1067525732 /nfs/dbraw/zinc/52/57/32/1067525732.db2.gz PCBDVTJTXWEAMO-RDGATRHJSA-N 1 1 457.640 4.581 20 0 JJADMO CC(=O)Nc1ccc(CC(=O)NC[C@@H](c2ccc(Cl)cc2)[N@H+](C)CCC(F)(F)F)cc1 ZINC001460013097 1067527339 /nfs/dbraw/zinc/52/73/39/1067527339.db2.gz DVMCJIBODATPSE-FQEVSTJZSA-N 1 1 455.908 4.583 20 0 JJADMO CC(=O)Nc1ccc(CC(=O)NC[C@@H](c2ccc(Cl)cc2)[N@@H+](C)CCC(F)(F)F)cc1 ZINC001460013097 1067527345 /nfs/dbraw/zinc/52/73/45/1067527345.db2.gz DVMCJIBODATPSE-FQEVSTJZSA-N 1 1 455.908 4.583 20 0 JJADMO CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1Cc1cc(=O)oc2cc(NC(C)=O)ccc12 ZINC001460015889 1067528765 /nfs/dbraw/zinc/52/87/65/1067528765.db2.gz BKZAKOXEOYZIEA-SFHVURJKSA-N 1 1 455.352 4.851 20 0 JJADMO CC[C@H]1Cc2c(Br)cccc2C[N@H+]1Cc1cc(=O)oc2cc(NC(C)=O)ccc12 ZINC001460015889 1067528772 /nfs/dbraw/zinc/52/87/72/1067528772.db2.gz BKZAKOXEOYZIEA-SFHVURJKSA-N 1 1 455.352 4.851 20 0 JJADMO Fc1cccc(F)c1-n1ccc(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CCOCC2)n1 ZINC001460026400 1067532707 /nfs/dbraw/zinc/53/27/07/1067532707.db2.gz AAJJFJSKIOMBBZ-UHFFFAOYSA-N 1 1 453.411 4.845 20 0 JJADMO Cc1cc(C[N@H+](C[C@@H](O)COc2ccccc2)C(C)C)c(C)cc1I ZINC001460028913 1067533656 /nfs/dbraw/zinc/53/36/56/1067533656.db2.gz MIBWKWXZHADJPP-LJQANCHMSA-N 1 1 453.364 4.558 20 0 JJADMO CCC1CCC([N@@H+](CCO)CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)CC1 ZINC001460057914 1067541541 /nfs/dbraw/zinc/54/15/41/1067541541.db2.gz ZNINTAGKZCEQTQ-PSGUAHCZSA-N 1 1 458.002 4.874 20 0 JJADMO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)CC3CCN(C(=O)OCc4ccccc4)CC3)C2)s1 ZINC001460065927 1067544341 /nfs/dbraw/zinc/54/43/41/1067544341.db2.gz AKDXVZXMHVEPJI-DEOSSOPVSA-N 1 1 455.668 4.859 20 0 JJADMO Cc1ccc(CN2CC[C@@H](C[N@H+](C)CC3CCN(C(=O)OCc4ccccc4)CC3)C2)s1 ZINC001460065927 1067544348 /nfs/dbraw/zinc/54/43/48/1067544348.db2.gz AKDXVZXMHVEPJI-DEOSSOPVSA-N 1 1 455.668 4.859 20 0 JJADMO C[C@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@H+]2CCOc2cc(F)cc(Br)c2)C1 ZINC001460068144 1067545200 /nfs/dbraw/zinc/54/52/00/1067545200.db2.gz DIPZLIZLNYYEBS-LPHOPBHVSA-N 1 1 457.384 4.690 20 0 JJADMO CCN(CC)C(=O)OC[C@H]1CCCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001460069440 1067545619 /nfs/dbraw/zinc/54/56/19/1067545619.db2.gz ZKKMJJDNPSJHJU-LQCXBHPOSA-N 1 1 451.652 4.888 20 0 JJADMO CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2CC2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC001460073854 1067547302 /nfs/dbraw/zinc/54/73/02/1067547302.db2.gz DIVOGMAJXCWWHU-UHFFFAOYSA-N 1 1 457.615 4.511 20 0 JJADMO Cc1ccc2c(C[N@H+](CCn3ccnc3)Cc3ccc(Br)o3)cc(=O)oc2c1C ZINC001460084276 1067549720 /nfs/dbraw/zinc/54/97/20/1067549720.db2.gz AEAUFIKXPKXUML-UHFFFAOYSA-N 1 1 456.340 4.664 20 0 JJADMO Cc1ccc2c(C[N@@H+](CCn3ccnc3)Cc3ccc(Br)o3)cc(=O)oc2c1C ZINC001460084276 1067549727 /nfs/dbraw/zinc/54/97/27/1067549727.db2.gz AEAUFIKXPKXUML-UHFFFAOYSA-N 1 1 456.340 4.664 20 0 JJADMO C[N@H+](CCN1CCN(Cc2ccccc2)CC1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001460087081 1067550283 /nfs/dbraw/zinc/55/02/83/1067550283.db2.gz XLWPILFXJSZVIQ-UHFFFAOYSA-N 1 1 459.478 4.974 20 0 JJADMO C[N@@H+](CCN1CCN(Cc2ccccc2)CC1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001460087081 1067550294 /nfs/dbraw/zinc/55/02/94/1067550294.db2.gz XLWPILFXJSZVIQ-UHFFFAOYSA-N 1 1 459.478 4.974 20 0 JJADMO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC001460084776 1067550379 /nfs/dbraw/zinc/55/03/79/1067550379.db2.gz OCRWPQGOBAQIAM-INIZCTEOSA-N 1 1 459.395 4.500 20 0 JJADMO COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2cc(Br)ccc2N2CC[N@@H+](C)C[C@H]2C)cc1 ZINC001460094729 1067552917 /nfs/dbraw/zinc/55/29/17/1067552917.db2.gz LXYUBSHLFYOUQX-MMOPVJDHSA-N 1 1 472.427 4.730 20 0 JJADMO COc1ccc(/C(C)=C\C(=O)Nc2cc(Br)ccc2N2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC001460095748 1067553607 /nfs/dbraw/zinc/55/36/07/1067553607.db2.gz XQMIWSQPXOYQEB-NOCRFKNCSA-N 1 1 458.400 4.640 20 0 JJADMO Cc1sc2nc(C[NH+]3CCC([C@H]4N(C(=O)OC(C)(C)C)CC4(C)C)CC3)nc(N)c2c1C ZINC001460103010 1067555523 /nfs/dbraw/zinc/55/55/23/1067555523.db2.gz BOLNRACBENUGSI-LJQANCHMSA-N 1 1 459.660 4.748 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCC[N@@H+](CC(=O)Nc3cccc(C(F)(F)F)c3)C2)C1 ZINC001460110514 1067556878 /nfs/dbraw/zinc/55/68/78/1067556878.db2.gz PKKGVOUUVRHCSJ-IAGOWNOFSA-N 1 1 455.521 4.613 20 0 JJADMO Cc1cccc(CNC(=O)c2ccc(C(=O)N3CC[N@@H+](Cc4ccccc4)C[C@H](C)C3)cc2)c1 ZINC001460122428 1067559381 /nfs/dbraw/zinc/55/93/81/1067559381.db2.gz UQYZCSQRUOQGKT-QHCPKHFHSA-N 1 1 455.602 4.519 20 0 JJADMO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[NH+]1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC001460125320 1067560044 /nfs/dbraw/zinc/56/00/44/1067560044.db2.gz LPPHRBKNNHYQGO-GOSISDBHSA-N 1 1 457.977 4.841 20 0 JJADMO Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@H+](C)C[C@H]2OCCc3ccccc32)C1=O ZINC001460125176 1067560168 /nfs/dbraw/zinc/56/01/68/1067560168.db2.gz FMZYYFUMLPJWPM-FCHUYYIVSA-N 1 1 457.412 4.807 20 0 JJADMO Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@@H+](C)C[C@H]2OCCc3ccccc32)C1=O ZINC001460125176 1067560173 /nfs/dbraw/zinc/56/01/73/1067560173.db2.gz FMZYYFUMLPJWPM-FCHUYYIVSA-N 1 1 457.412 4.807 20 0 JJADMO Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@H+](C)C[C@@H]2OCCc3ccccc32)C1=O ZINC001460125181 1067560182 /nfs/dbraw/zinc/56/01/82/1067560182.db2.gz FMZYYFUMLPJWPM-VXKWHMMOSA-N 1 1 457.412 4.807 20 0 JJADMO Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@@H+](C)C[C@@H]2OCCc3ccccc32)C1=O ZINC001460125181 1067560187 /nfs/dbraw/zinc/56/01/87/1067560187.db2.gz FMZYYFUMLPJWPM-VXKWHMMOSA-N 1 1 457.412 4.807 20 0 JJADMO COc1cc(NC(=O)CC[N@@H+](C)[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)c(OC)cc1Cl ZINC001460127320 1067560472 /nfs/dbraw/zinc/56/04/72/1067560472.db2.gz QVZXYPDTJIEONO-LBPRGKRZSA-N 1 1 451.354 4.909 20 0 JJADMO COc1cc(NC(=O)CC[N@H+](C)[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)c(OC)cc1Cl ZINC001460127320 1067560480 /nfs/dbraw/zinc/56/04/80/1067560480.db2.gz QVZXYPDTJIEONO-LBPRGKRZSA-N 1 1 451.354 4.909 20 0 JJADMO COc1cc(NC(=O)CC[N@@H+](C)[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)c(OC)cc1Cl ZINC001460127320 1067560487 /nfs/dbraw/zinc/56/04/87/1067560487.db2.gz QVZXYPDTJIEONO-LBPRGKRZSA-N 1 1 451.354 4.909 20 0 JJADMO Ic1cccc(C[C@@H]2CC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)c1 ZINC001460137506 1067562746 /nfs/dbraw/zinc/56/27/46/1067562746.db2.gz RXPHHTIHHYVSDJ-SFHVURJKSA-N 1 1 455.343 4.813 20 0 JJADMO COc1cc(NC(=O)C[NH2+]C2(c3nc(-c4ccccc4F)c(C)s3)CCC2)cc(OC)c1 ZINC001460145907 1067564522 /nfs/dbraw/zinc/56/45/22/1067564522.db2.gz ULFVHTFYKDGREC-UHFFFAOYSA-N 1 1 455.555 4.882 20 0 JJADMO COc1ccc(C)cc1NC(=O)CN(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001460149567 1067565393 /nfs/dbraw/zinc/56/53/93/1067565393.db2.gz FNDMRWGUIPOJMH-RUZDIDTESA-N 1 1 458.606 4.504 20 0 JJADMO Cc1cc2ncn(C[C@H](O)C[N@H+]3CCCC[C@H]3Cc3ccccc3Br)c2cc1C ZINC001460158102 1067566854 /nfs/dbraw/zinc/56/68/54/1067566854.db2.gz AWAFFBRWNIRJCZ-LEWJYISDSA-N 1 1 456.428 4.874 20 0 JJADMO Cc1cc2ncn(C[C@H](O)C[N@H+]3CCCC[C@@H]3Cc3ccccc3Br)c2cc1C ZINC001460158106 1067566893 /nfs/dbraw/zinc/56/68/93/1067566893.db2.gz AWAFFBRWNIRJCZ-NHCUHLMSSA-N 1 1 456.428 4.874 20 0 JJADMO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460157898 1067566904 /nfs/dbraw/zinc/56/69/04/1067566904.db2.gz NLGVZFCKYRAHPP-OALUTQOASA-N 1 1 450.023 4.946 20 0 JJADMO COc1cc(NC(=O)CC[N@@H+](C)CCc2cccc(Br)c2)c(OC)cc1Cl ZINC001460168364 1067568869 /nfs/dbraw/zinc/56/88/69/1067568869.db2.gz DBGZTCKEPORBOV-UHFFFAOYSA-N 1 1 455.780 4.623 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@H+]2CCCC[C@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460173331 1067570216 /nfs/dbraw/zinc/57/02/16/1067570216.db2.gz HUQRGPABYKADLS-BURNTYAHSA-N 1 1 451.652 4.791 20 0 JJADMO Cc1nc(NC(=O)C[N@H+](C[C@H](C)c2ccccc2)[C@@H](C)CO)sc1Cc1ccc(C)cc1 ZINC001460173899 1067570662 /nfs/dbraw/zinc/57/06/62/1067570662.db2.gz USYAOYGAWDTPJI-PMACEKPBSA-N 1 1 451.636 4.776 20 0 JJADMO CCC(CC)[N@@H+](CC)Cc1cc(I)cc(I)c1 ZINC001460177852 1067571927 /nfs/dbraw/zinc/57/19/27/1067571927.db2.gz IHBSFQIPNQYBGL-UHFFFAOYSA-N 1 1 457.137 4.906 20 0 JJADMO O=C(CC[N@@H+]1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1)Nc1cc(F)cc(F)c1 ZINC001460181179 1067572692 /nfs/dbraw/zinc/57/26/92/1067572692.db2.gz RLIHWGZFGTWXOZ-VFNWGFHPSA-N 1 1 453.327 4.502 20 0 JJADMO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@H+]1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001460183271 1067573431 /nfs/dbraw/zinc/57/34/31/1067573431.db2.gz DQGQNAJGQPZVGW-XLBJILASSA-N 1 1 467.448 4.698 20 0 JJADMO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@H+]1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001460183250 1067573447 /nfs/dbraw/zinc/57/34/47/1067573447.db2.gz DQGQNAJGQPZVGW-LYSIVYOWSA-N 1 1 467.448 4.698 20 0 JJADMO C[N@H+](Cc1ccccc1)C[C@@H](CN[C@H](CO)c1ccc(Br)cc1)c1ccccc1 ZINC001460184079 1067573943 /nfs/dbraw/zinc/57/39/43/1067573943.db2.gz XVJXWNVQCBCEPW-ILBGXUMGSA-N 1 1 453.424 4.988 20 0 JJADMO CCOc1ccc([C@@H](C)NC(=O)C[NH2+][C@H](C)c2ccc(Br)cc2F)cc1OC ZINC001460190494 1067575303 /nfs/dbraw/zinc/57/53/03/1067575303.db2.gz SVGMHGZFGSXLSQ-ZIAGYGMSSA-N 1 1 453.352 4.524 20 0 JJADMO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC001460191934 1067575655 /nfs/dbraw/zinc/57/56/55/1067575655.db2.gz BDZUYZKGMIWCCK-AWEZNQCLSA-N 1 1 454.771 4.781 20 0 JJADMO C[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001460199182 1067577730 /nfs/dbraw/zinc/57/77/30/1067577730.db2.gz XKQRQTKDZHPQKH-ZWKOTPCHSA-N 1 1 453.327 4.844 20 0 JJADMO C[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001460199182 1067577735 /nfs/dbraw/zinc/57/77/35/1067577735.db2.gz XKQRQTKDZHPQKH-ZWKOTPCHSA-N 1 1 453.327 4.844 20 0 JJADMO CC(C)(C)OC(=O)N1C[C@@H](O)[C@H]([N@H+](Cc2ccccc2)C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC001460207506 1067579315 /nfs/dbraw/zinc/57/93/15/1067579315.db2.gz KQHFZULVNBJQNC-YPAWHYETSA-N 1 1 481.420 4.509 20 0 JJADMO COc1cccc(-c2nnc(C[N@H+]3CCCC[C@@H]3[C@H]3CCCN(C(=O)OC(C)(C)C)C3)o2)c1 ZINC001460217069 1067581746 /nfs/dbraw/zinc/58/17/46/1067581746.db2.gz WYFFXUTWSBSHNO-PZJWPPBQSA-N 1 1 456.587 4.747 20 0 JJADMO CC(C)(C)OC(=O)N1C[C@@H](O)[C@H]([N@H+](Cc2ccccc2)Cc2c(Cl)ccc3cccnc32)C1 ZINC001460217806 1067582109 /nfs/dbraw/zinc/58/21/09/1067582109.db2.gz KPPIRODOTADRPK-DHIUTWEWSA-N 1 1 467.997 4.871 20 0 JJADMO CC(C)(C)OC(=O)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccccc2)Cc2c(Cl)ccc3cccnc32)C1 ZINC001460217806 1067582119 /nfs/dbraw/zinc/58/21/19/1067582119.db2.gz KPPIRODOTADRPK-DHIUTWEWSA-N 1 1 467.997 4.871 20 0 JJADMO Cc1cc(Br)ccc1C[N@@H+](Cc1ccccc1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001460218539 1067582414 /nfs/dbraw/zinc/58/24/14/1067582414.db2.gz OJNGEGKNHLBRFK-FGZHOGPDSA-N 1 1 475.427 4.740 20 0 JJADMO CC(C)(C)OC(=O)N1C[C@@H](O)[C@H]([N@H+](Cc2ccccc2)C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC001460217809 1067582494 /nfs/dbraw/zinc/58/24/94/1067582494.db2.gz KQHFZULVNBJQNC-BHIFYINESA-N 1 1 481.420 4.509 20 0 JJADMO C[C@H]1[C@@H](CO)CCC[N@@H+]1CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC001460225889 1067583897 /nfs/dbraw/zinc/58/38/97/1067583897.db2.gz IGWNYXKVYXWOKV-GHTZIAJQSA-N 1 1 453.583 4.575 20 0 JJADMO C[C@H]1[C@@H](CO)CCC[N@H+]1CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC001460225889 1067583904 /nfs/dbraw/zinc/58/39/04/1067583904.db2.gz IGWNYXKVYXWOKV-GHTZIAJQSA-N 1 1 453.583 4.575 20 0 JJADMO COc1ccc([C@H](O)C[N@@H+](CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)[C@@H](C)Cc2ccccc2)cc1 ZINC001460238564 1067588147 /nfs/dbraw/zinc/58/81/47/1067588147.db2.gz IVQJASRLGWDRJY-DOQQYFFYSA-N 1 1 452.639 4.699 20 0 JJADMO C[C@@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001460240532 1067589089 /nfs/dbraw/zinc/58/90/89/1067589089.db2.gz LTMXLYJYNHGKRD-IRXDYDNUSA-N 1 1 456.562 4.622 20 0 JJADMO CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460242998 1067589604 /nfs/dbraw/zinc/58/96/04/1067589604.db2.gz VMKKOXVBMVNZRY-QTJGBDASSA-N 1 1 469.601 4.868 20 0 JJADMO CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460242998 1067589611 /nfs/dbraw/zinc/58/96/11/1067589611.db2.gz VMKKOXVBMVNZRY-QTJGBDASSA-N 1 1 469.601 4.868 20 0 JJADMO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+]([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC001460260979 1067592847 /nfs/dbraw/zinc/59/28/47/1067592847.db2.gz XLIBBJODNADTBE-LPHOPBHVSA-N 1 1 456.505 4.524 20 0 JJADMO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC001460273581 1067595397 /nfs/dbraw/zinc/59/53/97/1067595397.db2.gz YESHYSLEWOFJHS-CRAIPNDOSA-N 1 1 451.355 4.954 20 0 JJADMO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC001460273581 1067595402 /nfs/dbraw/zinc/59/54/02/1067595402.db2.gz YESHYSLEWOFJHS-CRAIPNDOSA-N 1 1 451.355 4.954 20 0 JJADMO CC(C)OCc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2Br)cc1 ZINC001460274843 1067595651 /nfs/dbraw/zinc/59/56/51/1067595651.db2.gz YVJPIQZVCSPLHD-JOCHJYFZSA-N 1 1 459.428 4.697 20 0 JJADMO CC(C)OCc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2Cc2ccccc2Br)cc1 ZINC001460274843 1067595656 /nfs/dbraw/zinc/59/56/56/1067595656.db2.gz YVJPIQZVCSPLHD-JOCHJYFZSA-N 1 1 459.428 4.697 20 0 JJADMO COC(=O)[C@@H]1C[N@H+]([C@@H]2CCCc3ccc(Br)cc32)C[C@H]1c1ccc(F)cc1F ZINC001460277954 1067596055 /nfs/dbraw/zinc/59/60/55/1067596055.db2.gz OOYKOFYZOQBQEI-QKNQBKEWSA-N 1 1 450.323 4.993 20 0 JJADMO C[C@@H]1CCc2c(sc3nc(CC[N@H+]4CCCC[C@H]4CCC(=O)OC(C)(C)C)nc(N)c32)C1 ZINC001460278985 1067596465 /nfs/dbraw/zinc/59/64/65/1067596465.db2.gz NPCNRKUDFABIER-SJORKVTESA-N 1 1 458.672 4.917 20 0 JJADMO C[C@@H]1CCc2c(sc3nc(CC[N@H+]4CCCC[C@@H]4CCC(=O)OC(C)(C)C)nc(N)c32)C1 ZINC001460278977 1067596585 /nfs/dbraw/zinc/59/65/85/1067596585.db2.gz NPCNRKUDFABIER-IAGOWNOFSA-N 1 1 458.672 4.917 20 0 JJADMO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001460279495 1067597134 /nfs/dbraw/zinc/59/71/34/1067597134.db2.gz OAOXIGDIHZOIQL-XPIZARPCSA-N 1 1 451.920 4.892 20 0 JJADMO CCC1(CC)CN(c2nnc(-c3ccc(Cl)cc3)n2CCCC[N@H+]2CCC[C@@H]2CO)CCS1 ZINC001546115288 1067599900 /nfs/dbraw/zinc/59/99/00/1067599900.db2.gz YWUQTDPDUNHORH-JOCHJYFZSA-N 1 1 492.133 4.947 20 0 JJADMO CC(C)(C)OC(=O)N1CCc2c(C[N@H+]3CCC[C@@H](O)[C@H]3CCc3ccccc3)cccc2C1 ZINC001460295319 1067600618 /nfs/dbraw/zinc/60/06/18/1067600618.db2.gz KNFXNIHHKJOEBJ-CLJLJLNGSA-N 1 1 450.623 4.938 20 0 JJADMO CC[C@@H](NC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 ZINC001460300060 1067601369 /nfs/dbraw/zinc/60/13/69/1067601369.db2.gz CHVOXYQTQZDQNA-YTFSRNRJSA-N 1 1 457.014 4.965 20 0 JJADMO CC[C@@H](NC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 ZINC001460300060 1067601371 /nfs/dbraw/zinc/60/13/71/1067601371.db2.gz CHVOXYQTQZDQNA-YTFSRNRJSA-N 1 1 457.014 4.965 20 0 JJADMO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)c(Cl)c1 ZINC001460300036 1067601392 /nfs/dbraw/zinc/60/13/92/1067601392.db2.gz BLRFLLPZJFZXIT-QUCCMNQESA-N 1 1 459.993 4.841 20 0 JJADMO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)c(Cl)c1 ZINC001460300036 1067601399 /nfs/dbraw/zinc/60/13/99/1067601399.db2.gz BLRFLLPZJFZXIT-QUCCMNQESA-N 1 1 459.993 4.841 20 0 JJADMO CC[C@H](NC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 ZINC001460300062 1067601757 /nfs/dbraw/zinc/60/17/57/1067601757.db2.gz CHVOXYQTQZDQNA-ZRBLBEILSA-N 1 1 457.014 4.965 20 0 JJADMO CC[C@H](NC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 ZINC001460300062 1067601761 /nfs/dbraw/zinc/60/17/61/1067601761.db2.gz CHVOXYQTQZDQNA-ZRBLBEILSA-N 1 1 457.014 4.965 20 0 JJADMO Cc1ccc(S(=O)(=O)N[C@H](CC[N@H+]2CC[C@H](Oc3ccccc3)C2)c2ccccc2)cc1 ZINC001460300743 1067601821 /nfs/dbraw/zinc/60/18/21/1067601821.db2.gz YONVYCDMCWZGEG-AZGAKELHSA-N 1 1 450.604 4.558 20 0 JJADMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@H]1c1ccccc1 ZINC001460301791 1067602423 /nfs/dbraw/zinc/60/24/23/1067602423.db2.gz MHFPWTMEVLHJTH-LEWJYISDSA-N 1 1 473.411 4.835 20 0 JJADMO COC(=O)[C@@H]1C[N@H+]([C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)C[C@H]1c1ccc(O)cc1 ZINC001460308768 1067604674 /nfs/dbraw/zinc/60/46/74/1067604674.db2.gz RJGGIFLMZOCKFV-UYHISHBKSA-N 1 1 462.333 4.699 20 0 JJADMO COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)C[C@H]1c1ccc(O)cc1 ZINC001460308745 1067604754 /nfs/dbraw/zinc/60/47/54/1067604754.db2.gz REPOSYOROVLRRY-YFXJRYMSSA-N 1 1 476.598 4.759 20 0 JJADMO COC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)C[C@H]1c1ccc(O)cc1 ZINC001460308745 1067604760 /nfs/dbraw/zinc/60/47/60/1067604760.db2.gz REPOSYOROVLRRY-YFXJRYMSSA-N 1 1 476.598 4.759 20 0 JJADMO Fc1ccccc1COc1ccc(C[N@@H+]2CC[C@H](Oc3cncc(Br)c3)C2)cn1 ZINC001460317383 1067606244 /nfs/dbraw/zinc/60/62/44/1067606244.db2.gz SEUKSYAKBUPBLR-IBGZPJMESA-N 1 1 458.331 4.611 20 0 JJADMO Fc1ccccc1COc1ccc(C[N@H+]2CC[C@H](Oc3cncc(Br)c3)C2)cn1 ZINC001460317383 1067606249 /nfs/dbraw/zinc/60/62/49/1067606249.db2.gz SEUKSYAKBUPBLR-IBGZPJMESA-N 1 1 458.331 4.611 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCOc2ccc(F)c(Cl)c2)C1 ZINC001460317541 1067606426 /nfs/dbraw/zinc/60/64/26/1067606426.db2.gz LQGMPGSYHFWYAO-HBGVWJBISA-N 1 1 456.986 4.785 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@@H]1CCN(c2ccccc2F)C1 ZINC001460327854 1067609422 /nfs/dbraw/zinc/60/94/22/1067609422.db2.gz YVWXQIXKLUKATP-JWQCQUIFSA-N 1 1 451.630 4.844 20 0 JJADMO O=C(c1cncc(C(F)(F)F)c1)N(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001460347487 1067613727 /nfs/dbraw/zinc/61/37/27/1067613727.db2.gz DXNJTOYDWYQFPR-QHCPKHFHSA-N 1 1 454.496 4.802 20 0 JJADMO COc1ccc(C[C@@H]2CCCC[N@H+]2C[C@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001460358736 1067617506 /nfs/dbraw/zinc/61/75/06/1067617506.db2.gz GVCGXFMURWQRBZ-LADGPHEKSA-N 1 1 458.643 4.898 20 0 JJADMO CCOC(=O)C1=C(C[NH2+][C@@H](c2ccccc2F)C(C)C)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001460366393 1067619523 /nfs/dbraw/zinc/61/95/23/1067619523.db2.gz WFQFEMZPQNBQOU-YADHBBJMSA-N 1 1 459.949 4.637 20 0 JJADMO CCc1ccc([C@H](NC(=O)C[N@H+]2CC[C@H](C(=O)OC)[C@H]3CCCC[C@H]32)c2cccs2)cc1 ZINC001460368408 1067619974 /nfs/dbraw/zinc/61/99/74/1067619974.db2.gz XXGSVCXIABOYNP-FFHOAYQKSA-N 1 1 454.636 4.570 20 0 JJADMO CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[NH2+][C@H](c1ccccc1)c1ccc(OC)cc1 ZINC001460405319 1067628277 /nfs/dbraw/zinc/62/82/77/1067628277.db2.gz QWXLLQKXCVMVAT-HTAPYJJXSA-N 1 1 452.576 4.948 20 0 JJADMO Cc1ccc(NC(=O)C[NH+]2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cc1Cl ZINC001460407468 1067628718 /nfs/dbraw/zinc/62/87/18/1067628718.db2.gz JIZBQDPPWWJCCD-IBGZPJMESA-N 1 1 450.023 4.946 20 0 JJADMO CC[C@]1(Cc2ccccc2)CCC[N@H+]1CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC001460413841 1067630831 /nfs/dbraw/zinc/63/08/31/1067630831.db2.gz XUEUCYGIYROPEX-ZJSXRUAMSA-N 1 1 459.512 4.780 20 0 JJADMO CC[N@@H+](C/C=C/c1ccc(Cl)cc1)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460441959 1067635757 /nfs/dbraw/zinc/63/57/57/1067635757.db2.gz DHCUEQCGGQQNRX-UCFODXPJSA-N 1 1 450.023 4.533 20 0 JJADMO COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[N@H+]1CC(C)(C)CCC1(C)C ZINC001460457996 1067637418 /nfs/dbraw/zinc/63/74/18/1067637418.db2.gz BSIHUWTUDVSVAB-UHFFFAOYSA-N 1 1 453.583 4.795 20 0 JJADMO Cc1ccccc1[C@H](C)[N@H+]1CCC[C@@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 ZINC001460484498 1067643714 /nfs/dbraw/zinc/64/37/14/1067643714.db2.gz GCXLUSOZFJZLMB-LEWJYISDSA-N 1 1 453.631 4.716 20 0 JJADMO CC[C@@H](CO)[N@@H+](CC(=O)NCc1ccc(OC(F)(F)F)cc1)C1CCC(C(C)(C)C)CC1 ZINC001460508709 1067646675 /nfs/dbraw/zinc/64/66/75/1067646675.db2.gz WRGAPCZAAKVLIL-GPJFCIFZSA-N 1 1 458.565 4.879 20 0 JJADMO COC(=O)c1cnc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c3cccc4ccccc43)C2)s1 ZINC001460524936 1067649716 /nfs/dbraw/zinc/64/97/16/1067649716.db2.gz HQOICICBNLXAJF-YQVWRLOYSA-N 1 1 451.592 4.528 20 0 JJADMO COC(=O)c1cnc([C@@H]2CCC[N@H+]([C@H](C)C(=O)N[C@@H](C)c3cccc4ccccc43)C2)s1 ZINC001460524936 1067649727 /nfs/dbraw/zinc/64/97/27/1067649727.db2.gz HQOICICBNLXAJF-YQVWRLOYSA-N 1 1 451.592 4.528 20 0 JJADMO Cc1cccc(C[C@@]2(C)CCC[N@H+]2CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)c1 ZINC001460563726 1067656411 /nfs/dbraw/zinc/65/64/11/1067656411.db2.gz ZHQSTQHKTUIJCX-ZJSXRUAMSA-N 1 1 459.512 4.698 20 0 JJADMO COc1ccc([C@H]2CC[N@H+]([C@@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)C2)cc1F ZINC001460570462 1067658182 /nfs/dbraw/zinc/65/81/82/1067658182.db2.gz OUBUQMNZOGOGHV-GHTZIAJQSA-N 1 1 450.476 4.834 20 0 JJADMO CCC1(CC)CN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCS1 ZINC001546117399 1067659683 /nfs/dbraw/zinc/65/96/83/1067659683.db2.gz FGWKCOPTHGGVPC-QHAWAJNXSA-N 1 1 463.736 4.651 20 0 JJADMO C[NH+](C)C[C@H](NC[C@H](O)COc1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC001460599048 1067666287 /nfs/dbraw/zinc/66/62/87/1067666287.db2.gz WTQULFHYPMIUHB-KXBFYZLASA-N 1 1 452.209 4.932 20 0 JJADMO CC(=O)N(c1nc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cs1)c1cccc(C(F)(F)F)c1 ZINC001460608151 1067670190 /nfs/dbraw/zinc/67/01/90/1067670190.db2.gz LKMDPEVTHCVICP-QUCCMNQESA-N 1 1 478.496 4.567 20 0 JJADMO O=C(C[NH2+][C@H](CCO)c1ccc(Cl)c(F)c1)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC001460626453 1067676843 /nfs/dbraw/zinc/67/68/43/1067676843.db2.gz MYCGZJNPUFPPDY-GOSISDBHSA-N 1 1 458.946 4.736 20 0 JJADMO CC1(C)[C@H](c2ccc(C(F)(F)F)cc2)CC[N@H+]1CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC001460636941 1067680995 /nfs/dbraw/zinc/68/09/95/1067680995.db2.gz LBBIHSRPJSXJRZ-CVDCTZTESA-N 1 1 459.556 4.916 20 0 JJADMO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@@]2(C)Cc2ccc(F)c(F)c2)c(OC)c1 ZINC001460647537 1067685321 /nfs/dbraw/zinc/68/53/21/1067685321.db2.gz ACEYUVUWDQNDRO-OZXSUGGESA-N 1 1 458.549 4.743 20 0 JJADMO COc1cc(Br)ccc1CCC[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001460662454 1067692495 /nfs/dbraw/zinc/69/24/95/1067692495.db2.gz UAUBGODNGNKDNI-OALUTQOASA-N 1 1 453.421 4.864 20 0 JJADMO C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001460671827 1067694981 /nfs/dbraw/zinc/69/49/81/1067694981.db2.gz SKALHFVAQBISNS-XUZZJYLKSA-N 1 1 458.046 4.552 20 0 JJADMO CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CC[N@@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001460673075 1067695961 /nfs/dbraw/zinc/69/59/61/1067695961.db2.gz AJPSKHHXTDNRES-RUZDIDTESA-N 1 1 453.668 4.896 20 0 JJADMO CC(C)(C)OC(=O)Nc1ccc2c(c1)OCC[N@H+](CC[C@@H]1Sc3ccccc3NC1=O)C2 ZINC001460675758 1067697074 /nfs/dbraw/zinc/69/70/74/1067697074.db2.gz QHUIBWGXVRNNNE-NRFANRHFSA-N 1 1 455.580 4.731 20 0 JJADMO CO[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)s1 ZINC001460682591 1067700244 /nfs/dbraw/zinc/70/02/44/1067700244.db2.gz YMPVSUFVGKHTPM-FXAWDEMLSA-N 1 1 451.430 4.617 20 0 JJADMO C[C@H](c1ccc(Oc2ccccc2Cl)cc1Cl)[N@@H+](C)CCC(=O)N1CCN(C)CC1 ZINC001460685135 1067701462 /nfs/dbraw/zinc/70/14/62/1067701462.db2.gz CRHVGTQRKUPBMO-QGZVFWFLSA-N 1 1 450.410 4.943 20 0 JJADMO Cc1ccc([C@@H]2CC[N@@H+](CC(=O)N3c4ccccc4NC(=O)C[C@@H]3C(F)(F)F)C2(C)C)cc1 ZINC001460697433 1067703698 /nfs/dbraw/zinc/70/36/98/1067703698.db2.gz OZUKFHUQKZHWMT-GHTZIAJQSA-N 1 1 459.512 4.869 20 0 JJADMO Cc1ccc(Oc2cc(Br)ccc2C[N@H+](C)Cc2cc(=O)n3nccc3[nH]2)cc1 ZINC001460717367 1067708185 /nfs/dbraw/zinc/70/81/85/1067708185.db2.gz JLKJJEXCOYKHIQ-UHFFFAOYSA-N 1 1 453.340 4.518 20 0 JJADMO Cc1ccc(Oc2cc(Br)ccc2C[N@@H+](C)Cc2cc(=O)n3nccc3[nH]2)cc1 ZINC001460717367 1067708192 /nfs/dbraw/zinc/70/81/92/1067708192.db2.gz JLKJJEXCOYKHIQ-UHFFFAOYSA-N 1 1 453.340 4.518 20 0 JJADMO COc1cccc([C@@H]2CC[N@@H+](CC(=O)N3CCC[C@H]3c3ccc(OC)c(OC)c3)C2(C)C)c1 ZINC001460720003 1067709029 /nfs/dbraw/zinc/70/90/29/1067709029.db2.gz QBRIRUFLIXLMLJ-GOTSBHOMSA-N 1 1 452.595 4.644 20 0 JJADMO COc1cc2c(cc1OC)[C@H](C)[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)CC2 ZINC001460723759 1067709963 /nfs/dbraw/zinc/70/99/63/1067709963.db2.gz GYUWXWGXNBVOGJ-ZDUSSCGKSA-N 1 1 451.336 4.553 20 0 JJADMO C[C@@](O)(CN1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1)c1ccc(Br)cc1Cl ZINC001460747299 1067714977 /nfs/dbraw/zinc/71/49/77/1067714977.db2.gz LILVAYBFHBEHAG-YFXJRYMSSA-N 1 1 463.847 4.764 20 0 JJADMO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC001460747847 1067715135 /nfs/dbraw/zinc/71/51/35/1067715135.db2.gz DSHMTTMHJCPQBM-NBGIEHNGSA-N 1 1 459.034 4.890 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](C[C@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)nc2)C1)C1CCCC1 ZINC001460750836 1067715620 /nfs/dbraw/zinc/71/56/20/1067715620.db2.gz WVLZGCRETKRQAV-NFBKMPQASA-N 1 1 453.631 4.953 20 0 JJADMO CC(C)(C)OC(=O)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)C(C)(C)C ZINC001460759212 1067718411 /nfs/dbraw/zinc/71/84/11/1067718411.db2.gz DZAOSXKDFJTAJL-VXNXHJTFSA-N 1 1 468.613 4.914 20 0 JJADMO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2CC2(O)CCCCC2)c(C(F)(F)F)c1 ZINC001460762002 1067719067 /nfs/dbraw/zinc/71/90/67/1067719067.db2.gz PYNKPGCKAFIYGI-SFHVURJKSA-N 1 1 455.521 4.542 20 0 JJADMO Cc1ccc(CNC(=O)c2ccccc2NC(=O)C[NH2+]C(C)(C)c2ccc(F)cc2F)cc1 ZINC001460785610 1067723393 /nfs/dbraw/zinc/72/33/93/1067723393.db2.gz LHCZSGOBXNBFAH-UHFFFAOYSA-N 1 1 451.517 4.667 20 0 JJADMO COC[C@@H]([NH2+]Cc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1)[C@@H]1CCCOC1 ZINC001460794134 1067724463 /nfs/dbraw/zinc/72/44/63/1067724463.db2.gz YRNYGVLWAGLQAO-AUUYWEPGSA-N 1 1 458.411 4.666 20 0 JJADMO Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C3)cc2)n1 ZINC001460798592 1067726099 /nfs/dbraw/zinc/72/60/99/1067726099.db2.gz YNKBLNWQYIGYBS-UXHICEINSA-N 1 1 452.521 4.767 20 0 JJADMO Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C3)cc2)n1 ZINC001460798592 1067726107 /nfs/dbraw/zinc/72/61/07/1067726107.db2.gz YNKBLNWQYIGYBS-UXHICEINSA-N 1 1 452.521 4.767 20 0 JJADMO CCOCc1ccc(CNC(=O)C[N@@H+]2CCC[C@@]2(C)Cc2cccc(Br)c2)cc1 ZINC001460805235 1067727389 /nfs/dbraw/zinc/72/73/89/1067727389.db2.gz WMOBZCHJYSWMEE-DEOSSOPVSA-N 1 1 459.428 4.699 20 0 JJADMO CCOCc1ccc(CNC(=O)C[N@H+]2CCC[C@@]2(C)Cc2cccc(Br)c2)cc1 ZINC001460805235 1067727401 /nfs/dbraw/zinc/72/74/01/1067727401.db2.gz WMOBZCHJYSWMEE-DEOSSOPVSA-N 1 1 459.428 4.699 20 0 JJADMO CC(C)(C)OC(=O)N1CCCC[C@@]12CC[N@@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)C2 ZINC001460822397 1067729546 /nfs/dbraw/zinc/72/95/46/1067729546.db2.gz SXJWJNICGIKGSQ-AVRDEDQJSA-N 1 1 459.414 4.599 20 0 JJADMO COc1ccc(Br)cc1C[N@@H+]1CCC12CCN(C(=O)OCc1ccccc1)CC2 ZINC001460823895 1067729842 /nfs/dbraw/zinc/72/98/42/1067729842.db2.gz AEGDELMGSRIYKJ-UHFFFAOYSA-N 1 1 459.384 4.835 20 0 JJADMO COc1ccc(Br)cc1C[N@H+]1CCC12CCN(C(=O)OCc1ccccc1)CC2 ZINC001460823895 1067729849 /nfs/dbraw/zinc/72/98/49/1067729849.db2.gz AEGDELMGSRIYKJ-UHFFFAOYSA-N 1 1 459.384 4.835 20 0 JJADMO OC[C@H]([NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1)c1ccccc1C(F)(F)F ZINC001460826213 1067730234 /nfs/dbraw/zinc/73/02/34/1067730234.db2.gz ATRRUJLIHWBOKG-SFHVURJKSA-N 1 1 452.274 4.748 20 0 JJADMO CC(C)(C)OC(=O)NCC[C@@H]1CN(Cc2cccc(C[NH+]3CCOCC3)c2)c2ccccc21 ZINC001460837470 1067731846 /nfs/dbraw/zinc/73/18/46/1067731846.db2.gz PBBJDQJMDLZHTD-HSZRJFAPSA-N 1 1 451.611 4.537 20 0 JJADMO CC(C)(C)OC(=O)N1C[C@@H](C[C@H]2COCC[N@@H+]2CCSc2ccncc2)c2ccccc21 ZINC001460836042 1067731868 /nfs/dbraw/zinc/73/18/68/1067731868.db2.gz VEFMASRQHVIACL-UXHICEINSA-N 1 1 455.624 4.804 20 0 JJADMO CC(C)(C)OC(=O)N1C[C@@H](C[C@H]2COCC[N@H+]2CCSc2ccncc2)c2ccccc21 ZINC001460836042 1067731876 /nfs/dbraw/zinc/73/18/76/1067731876.db2.gz VEFMASRQHVIACL-UXHICEINSA-N 1 1 455.624 4.804 20 0 JJADMO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001460837898 1067732443 /nfs/dbraw/zinc/73/24/43/1067732443.db2.gz REJFBRSZKORVMN-BEFAXECRSA-N 1 1 459.414 4.517 20 0 JJADMO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001460837898 1067732446 /nfs/dbraw/zinc/73/24/46/1067732446.db2.gz REJFBRSZKORVMN-BEFAXECRSA-N 1 1 459.414 4.517 20 0 JJADMO CCC1(CC)CN(c2nnc(Cc3ccccc3C)n2CC2CCN(CC[NH+](C)C)CC2)CCS1 ZINC001546119536 1067733861 /nfs/dbraw/zinc/73/38/61/1067733861.db2.gz GVAMFBJBRKOYTR-UHFFFAOYSA-N 1 1 498.785 4.563 20 0 JJADMO CC(C)(C)OC(=O)NCC1([C@H]2CCCC[N@H+]2C[C@H]2CCN(C(=O)c3ccccc3)C2)CCC1 ZINC001460846429 1067733980 /nfs/dbraw/zinc/73/39/80/1067733980.db2.gz DUWPGIBPUDPAGR-FYYLOGMGSA-N 1 1 455.643 4.698 20 0 JJADMO CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)cc1 ZINC001460870867 1067739121 /nfs/dbraw/zinc/73/91/21/1067739121.db2.gz IILUHOXDTZGMBS-JOCHJYFZSA-N 1 1 459.428 4.602 20 0 JJADMO O[C@H](C[N@H+]1CCC[C@H]1COc1ccc(Br)cc1)c1ccc(Br)cc1 ZINC001460872756 1067739510 /nfs/dbraw/zinc/73/95/10/1067739510.db2.gz MHIFFNACAAOCQX-PKOBYXMFSA-N 1 1 455.190 4.788 20 0 JJADMO O=C(NC1CC[NH+](Cc2cccc(Br)c2)CC1)c1ccc(Br)s1 ZINC001460873891 1067739976 /nfs/dbraw/zinc/73/99/76/1067739976.db2.gz USCULLMNIIGEJS-UHFFFAOYSA-N 1 1 458.219 4.668 20 0 JJADMO C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001460879692 1067741205 /nfs/dbraw/zinc/74/12/05/1067741205.db2.gz AEWUMQCTSJCBFE-RZUBCFFCSA-N 1 1 467.610 4.685 20 0 JJADMO COc1cc(Br)ccc1CCC[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001460884586 1067742171 /nfs/dbraw/zinc/74/21/71/1067742171.db2.gz ZKVXEMOPIFXAAP-AEFFLSMTSA-N 1 1 455.437 4.873 20 0 JJADMO C[C@@H](NC(=O)C[NH+]1CCC(c2nc3c(s2)CCC3)CC1)c1ccc(OC(F)(F)F)cc1 ZINC001460883914 1067742374 /nfs/dbraw/zinc/74/23/74/1067742374.db2.gz AOLBSGHHDBIMSH-CQSZACIVSA-N 1 1 453.530 4.587 20 0 JJADMO COc1ccc(Br)cc1C[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC001460889171 1067743725 /nfs/dbraw/zinc/74/37/25/1067743725.db2.gz MZLPQPFVPCDFMW-LJQANCHMSA-N 1 1 455.190 4.704 20 0 JJADMO COc1ccc(Br)cc1C[N@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC001460889171 1067743732 /nfs/dbraw/zinc/74/37/32/1067743732.db2.gz MZLPQPFVPCDFMW-LJQANCHMSA-N 1 1 455.190 4.704 20 0 JJADMO C[C@H]1CN(C(=O)c2c(Br)cccc2Br)CC[N@@H+]1Cc1ccccc1 ZINC001460892362 1067744687 /nfs/dbraw/zinc/74/46/87/1067744687.db2.gz WEMXVPZISXDLBA-AWEZNQCLSA-N 1 1 452.190 4.558 20 0 JJADMO C[C@H]1CN(C(=O)c2c(Br)cccc2Br)CC[N@H+]1Cc1ccccc1 ZINC001460892362 1067744692 /nfs/dbraw/zinc/74/46/92/1067744692.db2.gz WEMXVPZISXDLBA-AWEZNQCLSA-N 1 1 452.190 4.558 20 0 JJADMO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@@]34CCN(C(=O)OC(C)(C)C)C4)cs2)cc1 ZINC001460915944 1067747702 /nfs/dbraw/zinc/74/77/02/1067747702.db2.gz HBNLEDIKFHORQR-DEOSSOPVSA-N 1 1 457.596 4.572 20 0 JJADMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@@]34CCN(C(=O)OC(C)(C)C)C4)cs2)cc1 ZINC001460915944 1067747707 /nfs/dbraw/zinc/74/77/07/1067747707.db2.gz HBNLEDIKFHORQR-DEOSSOPVSA-N 1 1 457.596 4.572 20 0 JJADMO CCOc1ccc(CC[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1 ZINC001460921117 1067748418 /nfs/dbraw/zinc/74/84/18/1067748418.db2.gz UZRFUFNEBBYOFP-SFHVURJKSA-N 1 1 451.592 4.901 20 0 JJADMO C[C@@H](NC(=O)C[N@@H+]1CCC[C@]12CCN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1Cl ZINC001460922514 1067748785 /nfs/dbraw/zinc/74/87/85/1067748785.db2.gz WQMMRPFGALGSCV-IVZQSRNASA-N 1 1 456.414 4.646 20 0 JJADMO C[C@@H](NC(=O)C[N@H+]1CCC[C@]12CCN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1Cl ZINC001460922514 1067748789 /nfs/dbraw/zinc/74/87/89/1067748789.db2.gz WQMMRPFGALGSCV-IVZQSRNASA-N 1 1 456.414 4.646 20 0 JJADMO C[C@H](NC(=O)C[N@@H+]1C2CCC1(CNC(=O)OC(C)(C)C)CC2)c1ccc(Cl)cc1Cl ZINC001460931760 1067750357 /nfs/dbraw/zinc/75/03/57/1067750357.db2.gz AKSJWSDBDGQAHQ-WMKMYWHRSA-N 1 1 456.414 4.692 20 0 JJADMO C[C@H](NC(=O)C[N@H+]1C2CCC1(CNC(=O)OC(C)(C)C)CC2)c1ccc(Cl)cc1Cl ZINC001460931760 1067750366 /nfs/dbraw/zinc/75/03/66/1067750366.db2.gz AKSJWSDBDGQAHQ-WMKMYWHRSA-N 1 1 456.414 4.692 20 0 JJADMO CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1nnc(-c3c(Cl)cccc3Cl)o1)C2 ZINC001460931875 1067750500 /nfs/dbraw/zinc/75/05/00/1067750500.db2.gz QVARCRUDFYFBMV-IHRRRGAJSA-N 1 1 453.370 4.921 20 0 JJADMO COc1cc(Br)ccc1CCC[N@H+]1C2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC001460936630 1067750953 /nfs/dbraw/zinc/75/09/53/1067750953.db2.gz NSRLTZKHNFYRNZ-UHFFFAOYSA-N 1 1 453.421 4.912 20 0 JJADMO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@H+](CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)[C@@H]1C ZINC001460939742 1067751254 /nfs/dbraw/zinc/75/12/54/1067751254.db2.gz OAVHCKGJHTXVEQ-FZONSQQESA-N 1 1 457.640 4.972 20 0 JJADMO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@@H+](CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)[C@@H]1C ZINC001460939742 1067751260 /nfs/dbraw/zinc/75/12/60/1067751260.db2.gz OAVHCKGJHTXVEQ-FZONSQQESA-N 1 1 457.640 4.972 20 0 JJADMO CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460953655 1067753088 /nfs/dbraw/zinc/75/30/88/1067753088.db2.gz ZDJVEWAWKIADHP-HNNXBMFYSA-N 1 1 458.430 4.892 20 0 JJADMO CCCCCCc1ccc(-c2csc(NC(=O)[C@@H](C)[N@@H+]3CC[C@]4(CCOC4=O)C3)n2)cc1 ZINC001460971248 1067754709 /nfs/dbraw/zinc/75/47/09/1067754709.db2.gz GOVUDZSROICJCS-CJAUYULYSA-N 1 1 455.624 4.899 20 0 JJADMO CCCCCCc1ccc(-c2csc(NC(=O)[C@@H](C)[N@H+]3CC[C@]4(CCOC4=O)C3)n2)cc1 ZINC001460971248 1067754719 /nfs/dbraw/zinc/75/47/19/1067754719.db2.gz GOVUDZSROICJCS-CJAUYULYSA-N 1 1 455.624 4.899 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@]12C[N@@H+](CC3CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]1CCCC2 ZINC001460978787 1067755624 /nfs/dbraw/zinc/75/56/24/1067755624.db2.gz VNWPFBSNMWDKGM-CPJSRVTESA-N 1 1 451.652 4.650 20 0 JJADMO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1C[C@@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460980042 1067756056 /nfs/dbraw/zinc/75/60/56/1067756056.db2.gz YBNAQANZPHNRHC-KCYKTTMJSA-N 1 1 458.628 4.640 20 0 JJADMO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1C[C@@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460980042 1067756061 /nfs/dbraw/zinc/75/60/61/1067756061.db2.gz YBNAQANZPHNRHC-KCYKTTMJSA-N 1 1 458.628 4.640 20 0 JJADMO CC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC3(CCC[C@@H]3CNC(=O)OC(C)(C)C)CC2)c1 ZINC001460982889 1067756445 /nfs/dbraw/zinc/75/64/45/1067756445.db2.gz SCNFWOZDKZANEZ-GHTZIAJQSA-N 1 1 457.615 4.623 20 0 JJADMO COCC(C)(C)[NH+]1CCN(C(=O)c2oc3ccccc3c2CSc2nc(C)cs2)CC1 ZINC001461045637 1067768968 /nfs/dbraw/zinc/76/89/68/1067768968.db2.gz CUBDZSRJYAWCBL-UHFFFAOYSA-N 1 1 459.637 4.673 20 0 JJADMO COC(=O)Nc1cc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)cc(C(F)(F)F)c1 ZINC001461060644 1067772768 /nfs/dbraw/zinc/77/27/68/1067772768.db2.gz LCSYFQMTWATHIT-UHFFFAOYSA-N 1 1 456.490 4.749 20 0 JJADMO CCC1(CC)CN(c2nnc(COc3ccc(C)c(C)c3)n2CCn2cc[nH+]c2C)CCS1 ZINC001546121464 1067778382 /nfs/dbraw/zinc/77/83/82/1067778382.db2.gz ZQKJFCYTICTFCL-UHFFFAOYSA-N 1 1 468.671 4.791 20 0 JJADMO Brc1cnc(CNCC2CC[NH+](Cc3cccs3)CC2)c(Br)c1 ZINC001461120991 1067785288 /nfs/dbraw/zinc/78/52/88/1067785288.db2.gz QRROGTKCZDVVJE-UHFFFAOYSA-N 1 1 459.251 4.670 20 0 JJADMO Cc1cc(Br)cc(C)c1C[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC001461171193 1067792339 /nfs/dbraw/zinc/79/23/39/1067792339.db2.gz RHOXYXRKELVBKH-UHFFFAOYSA-N 1 1 450.178 4.699 20 0 JJADMO CC(=O)Nc1cc(Cl)c(NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(Cl)c1 ZINC001461179202 1067793463 /nfs/dbraw/zinc/79/34/63/1067793463.db2.gz ODLHACLLEKLVGO-OKILXGFUSA-N 1 1 450.366 4.813 20 0 JJADMO CC(=O)Nc1cc(Cl)c(NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(Cl)c1 ZINC001461179202 1067793473 /nfs/dbraw/zinc/79/34/73/1067793473.db2.gz ODLHACLLEKLVGO-OKILXGFUSA-N 1 1 450.366 4.813 20 0 JJADMO Brc1cc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)ccc1OCc1ccccc1 ZINC001461198304 1067797792 /nfs/dbraw/zinc/79/77/92/1067797792.db2.gz UMMMWZOGBNFSLZ-JOCHJYFZSA-N 1 1 459.428 4.761 20 0 JJADMO C[N@H+]1CCC[C@@H](CNCc2c(Br)cncc2Br)[C@H]1c1cccs1 ZINC001461235168 1067806561 /nfs/dbraw/zinc/80/65/61/1067806561.db2.gz YOTLQMOUGUEUIB-SJCJKPOMSA-N 1 1 459.251 4.841 20 0 JJADMO COc1cc(C)ccc1Oc1ccccc1C[NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC001461254214 1067810939 /nfs/dbraw/zinc/81/09/39/1067810939.db2.gz BMTNMUKUFVNOBU-UHFFFAOYSA-N 1 1 453.627 4.512 20 0 JJADMO C[C@@H]1CN(C(=O)c2csc(COc3ccc(F)cc3)n2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC001461298613 1067822066 /nfs/dbraw/zinc/82/20/66/1067822066.db2.gz DFSKRPATPLNUNC-GUDVDZBRSA-N 1 1 453.583 4.985 20 0 JJADMO C[C@@H]1CN(C(=O)C2=Cc3cc(Br)ccc3OC2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001461302720 1067823225 /nfs/dbraw/zinc/82/32/25/1067823225.db2.gz YLDXAAKZXXNCCC-FGTMMUONSA-N 1 1 455.396 4.735 20 0 JJADMO O=C(CCCc1cc(Cl)sc1Cl)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001461337080 1067832296 /nfs/dbraw/zinc/83/22/96/1067832296.db2.gz YURMGNBNAFXUSZ-RTBURBONSA-N 1 1 453.435 4.880 20 0 JJADMO O=C(Nc1ccc(F)cc1)c1ccc(C[NH2+]Cc2cn3ccc(Br)cc3n2)cc1 ZINC001461345067 1067834707 /nfs/dbraw/zinc/83/47/07/1067834707.db2.gz LZXNZHNEHFSUMJ-UHFFFAOYSA-N 1 1 453.315 4.778 20 0 JJADMO O=S(=O)(Nc1ccc(F)cc1)c1ccc(C[NH2+]Cc2cccc(F)c2OC(F)F)cc1 ZINC001461345962 1067834826 /nfs/dbraw/zinc/83/48/26/1067834826.db2.gz TVLVLUJOOMDYPY-UHFFFAOYSA-N 1 1 454.445 4.657 20 0 JJADMO CC[N@@H+](CCCNC(=O)c1nn(-c2ccc(F)cc2)cc1Br)C1CCCCC1 ZINC001461363122 1067838939 /nfs/dbraw/zinc/83/89/39/1067838939.db2.gz VYVDPZNLYUFUFI-UHFFFAOYSA-N 1 1 451.384 4.548 20 0 JJADMO Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1CNCCC[N@H+]1CCCO[C@H](C)C1 ZINC001461427610 1067853479 /nfs/dbraw/zinc/85/34/79/1067853479.db2.gz FPNTYKYWTAXDJO-OAHLLOKOSA-N 1 1 459.849 4.791 20 0 JJADMO Fc1ccc(Cn2cc(C[NH2+]Cc3cc(Br)ccc3Br)cn2)cc1 ZINC001461437893 1067856724 /nfs/dbraw/zinc/85/67/24/1067856724.db2.gz JJKNDTBXTZEGKZ-UHFFFAOYSA-N 1 1 453.153 4.885 20 0 JJADMO Cc1c(Br)cncc1C[NH2+]Cc1ccc(Cl)cc1I ZINC001461460586 1067862275 /nfs/dbraw/zinc/86/22/75/1067862275.db2.gz HKXVCLFDIMQBCJ-UHFFFAOYSA-N 1 1 451.533 4.700 20 0 JJADMO O=C1[C@H]([NH2+]Cc2ccc(Br)cc2Cl)CCN1c1cccc(Br)c1 ZINC001461464343 1067863281 /nfs/dbraw/zinc/86/32/81/1067863281.db2.gz PXQAIAZMMWOEHE-MRXNPFEDSA-N 1 1 458.581 4.760 20 0 JJADMO O=C1[C@@H]([NH2+]Cc2ccc(Br)cc2Cl)CCN1c1cccc(Br)c1 ZINC001461464338 1067863319 /nfs/dbraw/zinc/86/33/19/1067863319.db2.gz PXQAIAZMMWOEHE-INIZCTEOSA-N 1 1 458.581 4.760 20 0 JJADMO FC(F)Oc1ccc(CNC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1Br ZINC001461484575 1067872020 /nfs/dbraw/zinc/87/20/20/1067872020.db2.gz QAEWBCOLSZJFBW-UHFFFAOYSA-N 1 1 457.281 4.945 20 0 JJADMO Cc1nn(Cc2ccccc2Cl)c(C)c1CNCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC001461492946 1067874919 /nfs/dbraw/zinc/87/49/19/1067874919.db2.gz HTSUFAGHRMICJS-UHFFFAOYSA-N 1 1 453.030 4.964 20 0 JJADMO CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC001546125093 1067882870 /nfs/dbraw/zinc/88/28/70/1067882870.db2.gz VCNNESXRZBYBBK-ATIYNZHBSA-N 1 1 455.687 4.593 20 0 JJADMO Cc1c(Br)cc(CNc2cccc(C[N@H+]3CC[C@H](O)C3)c2)cc1Br ZINC001461534647 1067883963 /nfs/dbraw/zinc/88/39/63/1067883963.db2.gz XDQRPLUAVSWVHU-KRWDZBQOSA-N 1 1 454.206 4.699 20 0 JJADMO CN(C(=O)c1ccc(NCc2oc3ccccc3c2Br)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001461564041 1067889374 /nfs/dbraw/zinc/88/93/74/1067889374.db2.gz IYZBGDCYTUQWSO-GOSISDBHSA-N 1 1 456.384 4.974 20 0 JJADMO CC(C)(C)OC(=O)N1CCc2nc(C[NH2+]C[C@H](O)c3ccc(Cl)c(Cl)c3)sc2C1 ZINC001461647510 1067908858 /nfs/dbraw/zinc/90/88/58/1067908858.db2.gz IUEKQRKOJPCDMY-INIZCTEOSA-N 1 1 458.411 4.566 20 0 JJADMO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC001461663908 1067913529 /nfs/dbraw/zinc/91/35/29/1067913529.db2.gz ZAEBRAIXPUCCIA-HNNXBMFYSA-N 1 1 451.802 4.943 20 0 JJADMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccc(-c3ccc(OC)cc3F)cc2F)cc1 ZINC001461679034 1067917015 /nfs/dbraw/zinc/91/70/15/1067917015.db2.gz UKKUAPCPYBFVCO-IBGZPJMESA-N 1 1 452.501 4.653 20 0 JJADMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccc(-c3ccc(OC)cc3F)cc2F)cc1 ZINC001461679034 1067917024 /nfs/dbraw/zinc/91/70/24/1067917024.db2.gz UKKUAPCPYBFVCO-IBGZPJMESA-N 1 1 452.501 4.653 20 0 JJADMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1 ZINC001461678922 1067917098 /nfs/dbraw/zinc/91/70/98/1067917098.db2.gz RDDFIPVJMYLGNF-HSZRJFAPSA-N 1 1 450.966 4.932 20 0 JJADMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1 ZINC001461678922 1067917106 /nfs/dbraw/zinc/91/71/06/1067917106.db2.gz RDDFIPVJMYLGNF-HSZRJFAPSA-N 1 1 450.966 4.932 20 0 JJADMO CCC1(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)CCCC1 ZINC001546126383 1067921288 /nfs/dbraw/zinc/92/12/88/1067921288.db2.gz VVSSDOZNUQEKIW-NHCUHLMSSA-N 1 1 473.637 4.685 20 0 JJADMO C[C@@H](Oc1ccccc1Br)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001461853006 1067947433 /nfs/dbraw/zinc/94/74/33/1067947433.db2.gz CSRMSFJORGOGDE-UYAOXDASSA-N 1 1 457.412 4.635 20 0 JJADMO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001461914217 1067960115 /nfs/dbraw/zinc/96/01/15/1067960115.db2.gz URPMNMNGAPTGDJ-CHWSQXEVSA-N 1 1 455.493 4.986 20 0 JJADMO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001461914908 1067960175 /nfs/dbraw/zinc/96/01/75/1067960175.db2.gz URPMNMNGAPTGDJ-QWHCGFSZSA-N 1 1 455.493 4.986 20 0 JJADMO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001461914910 1067960194 /nfs/dbraw/zinc/96/01/94/1067960194.db2.gz URPMNMNGAPTGDJ-STQMWFEESA-N 1 1 455.493 4.986 20 0 JJADMO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2CCCc2ccccc2)C1 ZINC001461928366 1067962870 /nfs/dbraw/zinc/96/28/70/1067962870.db2.gz RPOLSAQDBFGFDM-RPWUZVMVSA-N 1 1 457.659 4.627 20 0 JJADMO Cn1cc(C[C@@H]2CC[N@H+](Cc3c(Br)cc(F)c(F)c3N3CCCCC3)C2)cn1 ZINC001461940263 1067964931 /nfs/dbraw/zinc/96/49/31/1067964931.db2.gz OYVQVPRGPYYGCO-HNNXBMFYSA-N 1 1 453.375 4.516 20 0 JJADMO Cn1cc(C[C@@H]2CC[N@@H+](Cc3c(Br)cc(F)c(F)c3N3CCCCC3)C2)cn1 ZINC001461940263 1067964939 /nfs/dbraw/zinc/96/49/39/1067964939.db2.gz OYVQVPRGPYYGCO-HNNXBMFYSA-N 1 1 453.375 4.516 20 0 JJADMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cnc(NC(=O)OC(C)(C)C)s3)C2)cc1 ZINC001461956501 1067968869 /nfs/dbraw/zinc/96/88/69/1067968869.db2.gz CYCDKPGFBOXTRQ-QGZVFWFLSA-N 1 1 459.616 4.832 20 0 JJADMO CCOc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc(Br)c1O ZINC001461962016 1067969736 /nfs/dbraw/zinc/96/97/36/1067969736.db2.gz OUMGLCKGYZIIJV-GDBMZVCRSA-N 1 1 457.409 4.679 20 0 JJADMO CCOc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc(Br)c1O ZINC001461962016 1067969744 /nfs/dbraw/zinc/96/97/44/1067969744.db2.gz OUMGLCKGYZIIJV-GDBMZVCRSA-N 1 1 457.409 4.679 20 0 JJADMO COc1cc(OC)cc(N2CC[C@@H]([N@@H+](C)CC(Cc3ccccc3)Cc3ccccc3)C2=O)c1 ZINC001461968060 1067971551 /nfs/dbraw/zinc/97/15/51/1067971551.db2.gz NMYJVVYMJNPFAM-MUUNZHRXSA-N 1 1 458.602 4.843 20 0 JJADMO CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001461996315 1067977129 /nfs/dbraw/zinc/97/71/29/1067977129.db2.gz QZRUZOKHUYNMBH-DSKINZAPSA-N 1 1 455.599 4.778 20 0 JJADMO CC(C)(C)OC(=O)Nc1ncc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)s1 ZINC001461996827 1067977139 /nfs/dbraw/zinc/97/71/39/1067977139.db2.gz MSFQVSYOZQHPJR-OAHLLOKOSA-N 1 1 457.383 4.692 20 0 JJADMO Ic1ccc(C[N@@H+](CCCOc2ccccc2)C2CCOCC2)s1 ZINC001462054873 1067991847 /nfs/dbraw/zinc/99/18/47/1067991847.db2.gz RPYDDVSOPZWVNW-UHFFFAOYSA-N 1 1 457.377 4.803 20 0 JJADMO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2cccc(Br)c2Cl)CC1 ZINC001462057501 1067992529 /nfs/dbraw/zinc/99/25/29/1067992529.db2.gz XGTHKYIJXZACEJ-UHFFFAOYSA-N 1 1 451.748 4.682 20 0 JJADMO CC[C@@H]1CN(Cc2c(Br)cncc2Br)CC[N@H+]1Cc1ccccc1 ZINC001462059419 1067993422 /nfs/dbraw/zinc/99/34/22/1067993422.db2.gz WNLDMTOJHHYPHL-MRXNPFEDSA-N 1 1 453.222 4.703 20 0 JJADMO Cc1nccc(N2CC[NH+](Cc3ccccc3Oc3ccc(Br)cc3F)CC2)n1 ZINC001462063205 1067993869 /nfs/dbraw/zinc/99/38/69/1067993869.db2.gz AXNNUQBNGLUOOJ-UHFFFAOYSA-N 1 1 457.347 4.801 20 0 JJADMO CCN(CC)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1)c1ccccc1 ZINC001462102481 1068003285 /nfs/dbraw/zinc/00/32/85/1068003285.db2.gz BMXVVQCGAGEAFW-NHKHRBQYSA-N 1 1 471.645 4.863 20 0 JJADMO CCN(CC)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1)c1ccccc1 ZINC001462102481 1068003295 /nfs/dbraw/zinc/00/32/95/1068003295.db2.gz BMXVVQCGAGEAFW-NHKHRBQYSA-N 1 1 471.645 4.863 20 0 JJADMO CCCN(C)c1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)cc1 ZINC001462109377 1068005776 /nfs/dbraw/zinc/00/57/76/1068005776.db2.gz QAURPMNGKNISOU-WUFINQPMSA-N 1 1 457.618 4.939 20 0 JJADMO CC[C@H](Oc1ccccc1C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001462110380 1068006504 /nfs/dbraw/zinc/00/65/04/1068006504.db2.gz RQCVMYAVLCCQEX-VJGNERBWSA-N 1 1 458.602 4.945 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)c2cccc(F)c2SC)cc1 ZINC001462113267 1068006997 /nfs/dbraw/zinc/00/69/97/1068006997.db2.gz YJSMEFPKADJMRZ-LADGPHEKSA-N 1 1 450.579 4.954 20 0 JJADMO Cc1ccc(-n2ncc(C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)c2C(F)(F)F)cc1 ZINC001462115404 1068007448 /nfs/dbraw/zinc/00/74/48/1068007448.db2.gz DMKMNMJMDQQZCL-UYAOXDASSA-N 1 1 456.512 4.697 20 0 JJADMO C[C@H](NC1CC[NH+](Cc2ccccc2Br)CC1)c1nc(-c2cccc(F)c2)no1 ZINC001462119827 1068008475 /nfs/dbraw/zinc/00/84/75/1068008475.db2.gz MHHVRRCDYBKSOT-HNNXBMFYSA-N 1 1 459.363 4.953 20 0 JJADMO CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1cc(Br)cc(Br)c1N ZINC001462120289 1068009031 /nfs/dbraw/zinc/00/90/31/1068009031.db2.gz UMOPWFDCEDJJHH-LJQANCHMSA-N 1 1 456.222 4.957 20 0 JJADMO CCC[N@@H+](Cc1cn(-c2ccccc2Br)nn1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC001462139902 1068013757 /nfs/dbraw/zinc/01/37/57/1068013757.db2.gz WCISETOTYCBKSC-KRWDZBQOSA-N 1 1 456.388 4.659 20 0 JJADMO COc1ccc(C[N@@H+](CC2CCC2)C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)c(OC)c1 ZINC001462149618 1068015909 /nfs/dbraw/zinc/01/59/09/1068015909.db2.gz NBTZTBKLAGRZIO-LJQANCHMSA-N 1 1 454.558 4.951 20 0 JJADMO Brc1cccc(OCC[N@@H+](Cc2cn(C3CCC3)nn2)C[C@H]2CCCS2)c1 ZINC001462170626 1068021499 /nfs/dbraw/zinc/02/14/99/1068021499.db2.gz OZYRELWWFAZTRH-HXUWFJFHSA-N 1 1 451.434 4.542 20 0 JJADMO Brc1cccc(OCC[N@H+](Cc2cn(C3CCC3)nn2)C[C@H]2CCCS2)c1 ZINC001462170626 1068021515 /nfs/dbraw/zinc/02/15/15/1068021515.db2.gz OZYRELWWFAZTRH-HXUWFJFHSA-N 1 1 451.434 4.542 20 0 JJADMO O=C1C[C@]2(CC[N@@H+](Cc3ccc(Br)cc3Oc3ccc(F)c(Cl)c3)C2)CN1 ZINC001462180691 1068023579 /nfs/dbraw/zinc/02/35/79/1068023579.db2.gz CQFXAWXBDZLXNY-HXUWFJFHSA-N 1 1 453.739 4.746 20 0 JJADMO O=C1C[C@]2(CC[N@H+](Cc3ccc(Br)cc3Oc3ccc(F)c(Cl)c3)C2)CN1 ZINC001462180691 1068023596 /nfs/dbraw/zinc/02/35/96/1068023596.db2.gz CQFXAWXBDZLXNY-HXUWFJFHSA-N 1 1 453.739 4.746 20 0 JJADMO Ic1cccc(C[N@@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC001462201243 1068027962 /nfs/dbraw/zinc/02/79/62/1068027962.db2.gz VKLWWRRRNNCPHW-QGZVFWFLSA-N 1 1 450.368 4.837 20 0 JJADMO Ic1cccc(C[N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC001462201243 1068027978 /nfs/dbraw/zinc/02/79/78/1068027978.db2.gz VKLWWRRRNNCPHW-QGZVFWFLSA-N 1 1 450.368 4.837 20 0 JJADMO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+](Cc3ccc(C(=O)OCc4ccccc4)[nH]3)C2)CC1 ZINC001462226656 1068032902 /nfs/dbraw/zinc/03/29/02/1068032902.db2.gz APXLUYGQICHJSC-UHFFFAOYSA-N 1 1 453.583 4.595 20 0 JJADMO C[C@@H]1C[C@@H](NCc2c(Br)cncc2Br)C[N@@H+](Cc2ccccc2)C1 ZINC001462255824 1068038812 /nfs/dbraw/zinc/03/88/12/1068038812.db2.gz AMQKFOHJFLZNBV-GDBMZVCRSA-N 1 1 453.222 4.607 20 0 JJADMO C[C@@H]1C[C@@H]([NH2+]Cc2c(Br)cncc2Br)CN(Cc2ccccc2)C1 ZINC001462255824 1068038824 /nfs/dbraw/zinc/03/88/24/1068038824.db2.gz AMQKFOHJFLZNBV-GDBMZVCRSA-N 1 1 453.222 4.607 20 0 JJADMO COc1ccc([C@H](O)C[N@@H+](Cc2ccc3c(c2)CCC(=O)N3C)[C@@H](C)Cc2ccccc2)cc1 ZINC001462339013 1068054682 /nfs/dbraw/zinc/05/46/82/1068054682.db2.gz FIONXWVJCRTPGM-RBTNQOKQSA-N 1 1 458.602 4.771 20 0 JJADMO COCc1ccccc1/C=C(/C)C[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1 ZINC001462359254 1068059272 /nfs/dbraw/zinc/05/92/72/1068059272.db2.gz AXYOSCPLYJDQAE-YGHJTBJTSA-N 1 1 458.396 4.887 20 0 JJADMO C[C@@H]1CC[C@H]([NH2+]Cc2c(F)c(F)c(Br)c(F)c2F)CN1C(=O)OC(C)(C)C ZINC001462369059 1068061613 /nfs/dbraw/zinc/06/16/13/1068061613.db2.gz CPRPDHXSJQRFGH-ZJUUUORDSA-N 1 1 455.290 4.883 20 0 JJADMO CC(=O)N(c1nc(C[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)cs1)c1cccc(C(F)(F)F)c1 ZINC001462381967 1068063303 /nfs/dbraw/zinc/06/33/03/1068063303.db2.gz BZTYOMYWOKYELQ-CYBMUJFWSA-N 1 1 457.518 4.914 20 0 JJADMO COC(=O)[C@H](C)Oc1ccc(C[NH+]2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)cc1 ZINC001462383370 1068063411 /nfs/dbraw/zinc/06/34/11/1068063411.db2.gz NWDAHXXHKPQUQI-AWEZNQCLSA-N 1 1 457.785 4.909 20 0 JJADMO CC(=O)N(c1nc(C[NH2+]C[C@H](C)C(=O)OC(C)(C)C)cs1)c1cccc(C(F)(F)F)c1 ZINC001462381970 1068063501 /nfs/dbraw/zinc/06/35/01/1068063501.db2.gz BZTYOMYWOKYELQ-ZDUSSCGKSA-N 1 1 457.518 4.914 20 0 JJADMO COc1cc(Br)c(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@H]2C)cc1O ZINC001462386306 1068063837 /nfs/dbraw/zinc/06/38/37/1068063837.db2.gz NKFXXASOMOSZSO-FMKPAKJESA-N 1 1 457.409 4.535 20 0 JJADMO COc1cc(Br)c(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@H]2C)cc1O ZINC001462386306 1068063852 /nfs/dbraw/zinc/06/38/52/1068063852.db2.gz NKFXXASOMOSZSO-FMKPAKJESA-N 1 1 457.409 4.535 20 0 JJADMO CC(C)(C)OC(=O)NC1(CC[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)CCOCC1 ZINC001462383642 1068064029 /nfs/dbraw/zinc/06/40/29/1068064029.db2.gz UDHAUVZOHOOYFM-FCHUYYIVSA-N 1 1 474.642 4.508 20 0 JJADMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(Cc2cc(Br)cc(Br)c2)C1 ZINC001462413876 1068070155 /nfs/dbraw/zinc/07/01/55/1068070155.db2.gz MIMJSAZFBBHTOQ-FQEVSTJZSA-N 1 1 452.234 4.960 20 0 JJADMO COC(=O)c1ccc(COc2ccccc2C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)cc1 ZINC001462437008 1068074081 /nfs/dbraw/zinc/07/40/81/1068074081.db2.gz ITDZTXNCUUSHNX-WMZHIEFXSA-N 1 1 453.579 4.852 20 0 JJADMO CC[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@@H](c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)n[nH]3)C2)C1 ZINC001462451899 1068077812 /nfs/dbraw/zinc/07/78/12/1068077812.db2.gz LCCOHJADXOGJTR-YPAWHYETSA-N 1 1 459.679 4.863 20 0 JJADMO CC(C)Oc1cc(Br)ccc1C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001462460130 1068078815 /nfs/dbraw/zinc/07/88/15/1068078815.db2.gz BFNAIQBDXHSQNT-HXUWFJFHSA-N 1 1 458.400 4.773 20 0 JJADMO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC001462484034 1068082894 /nfs/dbraw/zinc/08/28/94/1068082894.db2.gz IBLJLEBFQZQEKY-NRFANRHFSA-N 1 1 459.432 4.735 20 0 JJADMO COc1ccc(C2=NO[C@H](C[NH2+]Cc3cc4c(C)nn(C(C)(C)C)c4nc3Cl)C2)cc1F ZINC001462550450 1068096776 /nfs/dbraw/zinc/09/67/76/1068096776.db2.gz VINGDEHFMJWLLS-INIZCTEOSA-N 1 1 459.953 4.579 20 0 JJADMO CCOC(=O)[C@@H]1C[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C[C@H]1C(F)(F)F ZINC001462552846 1068097229 /nfs/dbraw/zinc/09/72/29/1068097229.db2.gz BFAWABOIGOYDGM-HUUCEWRRSA-N 1 1 463.319 4.746 20 0 JJADMO CCOC(=O)[C@@H]1C[N@@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C[C@H]1C(F)(F)F ZINC001462552846 1068097241 /nfs/dbraw/zinc/09/72/41/1068097241.db2.gz BFAWABOIGOYDGM-HUUCEWRRSA-N 1 1 463.319 4.746 20 0 JJADMO CC(=O)N(c1nc(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)cs1)c1cccc(Cl)c1 ZINC001462554480 1068097370 /nfs/dbraw/zinc/09/73/70/1068097370.db2.gz NRPFAFBHTRYIEB-HXUWFJFHSA-N 1 1 450.391 4.828 20 0 JJADMO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N2CC[C@H](C(F)(F)F)O[C@@H](C)C2)c1 ZINC001462570501 1068100659 /nfs/dbraw/zinc/10/06/59/1068100659.db2.gz LMPZSDRLZPYSBU-ZMUKGBGYSA-N 1 1 460.540 4.779 20 0 JJADMO CCC1(Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)CCCC1 ZINC001546132560 1068101824 /nfs/dbraw/zinc/10/18/24/1068101824.db2.gz MZYNKAQTGHPQJY-LJQANCHMSA-N 1 1 476.065 4.734 20 0 JJADMO CCC1(Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)CCCC1 ZINC001546132559 1068101902 /nfs/dbraw/zinc/10/19/02/1068101902.db2.gz MZYNKAQTGHPQJY-IBGZPJMESA-N 1 1 476.065 4.734 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2ccc(NC(=O)OC(C)(C)C)nc2)CCCCC1 ZINC001462622564 1068114834 /nfs/dbraw/zinc/11/48/34/1068114834.db2.gz DLARNUYHEWLTJG-UHFFFAOYSA-N 1 1 452.599 4.993 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2c(Oc3ccc(F)cc3)nc3ccccn32)C[C@H]1CNC(=O)OC(C)(C)C ZINC001462623906 1068115603 /nfs/dbraw/zinc/11/56/03/1068115603.db2.gz SDUZFUMZLKVIHL-QZTJIDSGSA-N 1 1 454.546 4.858 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@]23C[C@H]2CCCN3C(=O)OC(C)(C)C)CCCCC1 ZINC001462630797 1068118249 /nfs/dbraw/zinc/11/82/49/1068118249.db2.gz PHESLFYZDHMRST-AMGIVPHBSA-N 1 1 455.643 4.727 20 0 JJADMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(Br)cc1Cl ZINC001462760915 1068158298 /nfs/dbraw/zinc/15/82/98/1068158298.db2.gz ATIJXAQUXKFWPY-NVXWUHKLSA-N 1 1 461.709 4.895 20 0 JJADMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(Br)cc1Cl ZINC001462760915 1068158302 /nfs/dbraw/zinc/15/83/02/1068158302.db2.gz ATIJXAQUXKFWPY-NVXWUHKLSA-N 1 1 461.709 4.895 20 0 JJADMO Cc1cc(Br)sc1S(=O)(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC001462826800 1068179144 /nfs/dbraw/zinc/17/91/44/1068179144.db2.gz WKPOIYIOVLKYNC-HNNXBMFYSA-N 1 1 457.459 4.672 20 0 JJADMO Cc1sc(Br)cc1S(=O)(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC001462832026 1068182655 /nfs/dbraw/zinc/18/26/55/1068182655.db2.gz LCOUSAGSLVPHCT-CQSZACIVSA-N 1 1 457.459 4.672 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNS(=O)(=O)c3ccccc3OC(F)(F)F)cc2)C1 ZINC001462838092 1068185118 /nfs/dbraw/zinc/18/51/18/1068185118.db2.gz OQMIKQMQCYEGTO-CALCHBBNSA-N 1 1 456.530 4.542 20 0 JJADMO CCN([C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C)c(Br)c1 ZINC001462894897 1068206552 /nfs/dbraw/zinc/20/65/52/1068206552.db2.gz GOCZKGPULNKXIX-MJGOQNOKSA-N 1 1 451.430 4.604 20 0 JJADMO CCN([C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C)c(Br)c1 ZINC001462894895 1068206688 /nfs/dbraw/zinc/20/66/88/1068206688.db2.gz GOCZKGPULNKXIX-HKUYNNGSSA-N 1 1 451.430 4.604 20 0 JJADMO C[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2cc(Br)c(Cl)cc2Cl)C1 ZINC001462904534 1068210329 /nfs/dbraw/zinc/21/03/29/1068210329.db2.gz CTTADOLYHLDJCR-NSHDSACASA-N 1 1 458.249 4.545 20 0 JJADMO Cc1csc([C@@H](C)NS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)n1 ZINC001463002509 1068245734 /nfs/dbraw/zinc/24/57/34/1068245734.db2.gz GTTIYPPFTXRLTL-VOQZNFBZSA-N 1 1 476.067 4.754 20 0 JJADMO CC[C@H](NS(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(C)cc1)c1nc(C)cs1 ZINC001463055332 1068268127 /nfs/dbraw/zinc/26/81/27/1068268127.db2.gz LIFAGZLYCSWFFM-KMDXXIMOSA-N 1 1 469.676 4.799 20 0 JJADMO CC[N@@H+](CCC1CCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1)CC1CC1 ZINC001546136590 1068288253 /nfs/dbraw/zinc/28/82/53/1068288253.db2.gz KQRUXCWJWDJTRY-DEOSSOPVSA-N 1 1 457.659 4.656 20 0 JJADMO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NC[C@@H](C)Oc2cccc(C)c2)cc1 ZINC001463126379 1068296147 /nfs/dbraw/zinc/29/61/47/1068296147.db2.gz DXZDPYKURVQNJG-KEKPKEOLSA-N 1 1 478.658 4.658 20 0 JJADMO O=C(Cc1cc(F)ccc1Br)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001463178018 1068310720 /nfs/dbraw/zinc/31/07/20/1068310720.db2.gz XBSQUFJBPDRLLM-LADGPHEKSA-N 1 1 467.382 4.915 20 0 JJADMO CCCOc1ccc(S(=O)(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C(C)(C)C ZINC001463186041 1068313642 /nfs/dbraw/zinc/31/36/42/1068313642.db2.gz KQLSTAVKJIELPT-QFIPXVFZSA-N 1 1 458.668 4.916 20 0 JJADMO C[N@H+](CCN(Cc1ccccc1)S(=O)(=O)c1cnc2ccsc2c1)Cc1ccccc1 ZINC001463210545 1068321342 /nfs/dbraw/zinc/32/13/42/1068321342.db2.gz JDGLWUUJCZNNIV-UHFFFAOYSA-N 1 1 451.617 4.619 20 0 JJADMO C[N@@H+](CCN(Cc1ccccc1)S(=O)(=O)c1cnc2ccsc2c1)Cc1ccccc1 ZINC001463210545 1068321359 /nfs/dbraw/zinc/32/13/59/1068321359.db2.gz JDGLWUUJCZNNIV-UHFFFAOYSA-N 1 1 451.617 4.619 20 0 JJADMO CCS[C@@H]1CCC[C@@H]1NS(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(C)cc1 ZINC001463264510 1068338783 /nfs/dbraw/zinc/33/87/83/1068338783.db2.gz CQOYDBQMJHRYMO-CXSMSNRLSA-N 1 1 458.693 4.557 20 0 JJADMO Cc1ccc(I)c(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001463345182 1068364332 /nfs/dbraw/zinc/36/43/32/1068364332.db2.gz VJFJOCJUSOAMFE-HSALFYBXSA-N 1 1 474.386 4.630 20 0 JJADMO CC[N@@H+](CCC1CCN(S(=O)(=O)Cc2cc(C)ccc2Br)CC1)CC(C)C ZINC001463389771 1068382041 /nfs/dbraw/zinc/38/20/41/1068382041.db2.gz CPBGSTBLABKSJO-UHFFFAOYSA-N 1 1 459.494 4.667 20 0 JJADMO O=C(N[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001463527956 1068428766 /nfs/dbraw/zinc/42/87/66/1068428766.db2.gz NBFDPCADSOPXMG-ZVDOUQERSA-N 1 1 467.329 4.876 20 0 JJADMO O=C(N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001463527956 1068428770 /nfs/dbraw/zinc/42/87/70/1068428770.db2.gz NBFDPCADSOPXMG-ZVDOUQERSA-N 1 1 467.329 4.876 20 0 JJADMO Cc1cc(Br)ccc1CC(=O)N[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001463527497 1068428787 /nfs/dbraw/zinc/42/87/87/1068428787.db2.gz LSWHOYZSAPZQPA-HXUWFJFHSA-N 1 1 455.318 4.623 20 0 JJADMO Cc1cc(Br)ccc1CC(=O)N[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001463527497 1068428791 /nfs/dbraw/zinc/42/87/91/1068428791.db2.gz LSWHOYZSAPZQPA-HXUWFJFHSA-N 1 1 455.318 4.623 20 0 JJADMO C[NH+](C)[C@@H](CNC(=O)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1ccccc1Cl ZINC001463558732 1068442676 /nfs/dbraw/zinc/44/26/76/1068442676.db2.gz BYHYSKGJKKTALJ-UNMCSNQZSA-N 1 1 454.920 4.727 20 0 JJADMO C[NH+](C)[C@@H](CNC(=O)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1ccccc1Cl ZINC001463558730 1068442692 /nfs/dbraw/zinc/44/26/92/1068442692.db2.gz BYHYSKGJKKTALJ-RBBKRZOGSA-N 1 1 454.920 4.727 20 0 JJADMO Cc1ncsc1-c1nc2ccccc2n1CC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC001463560223 1068443191 /nfs/dbraw/zinc/44/31/91/1068443191.db2.gz JYKGUGUMYYUFJJ-HXUWFJFHSA-N 1 1 453.999 4.541 20 0 JJADMO Cc1cc(C(=O)NCCC[NH+]2CCOCC2)ccc1N[C@H](C)c1cc(Cl)ccc1Cl ZINC001463626991 1068472783 /nfs/dbraw/zinc/47/27/83/1068472783.db2.gz RXCZSOKFUWGXFG-QGZVFWFLSA-N 1 1 450.410 4.927 20 0 JJADMO C[N@@H+](CCC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)C1CCCCC1 ZINC001463627697 1068473660 /nfs/dbraw/zinc/47/36/60/1068473660.db2.gz UFRKJJOZRRMFRP-UHFFFAOYSA-N 1 1 450.004 4.734 20 0 JJADMO CC1CCC(C)(CNS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)CC1 ZINC001463637958 1068477589 /nfs/dbraw/zinc/47/75/89/1068477589.db2.gz AWGHPQXLQYAGQU-WGUWSQJSSA-N 1 1 458.643 4.930 20 0 JJADMO CC[C@@]1(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CCN(C(=O)OC(C)(C)C)C1 ZINC001463725944 1068505775 /nfs/dbraw/zinc/50/57/75/1068505775.db2.gz PWENHZRZMRDBPC-HHHXNRCGSA-N 1 1 451.611 4.521 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1S(=O)(=O)C1=Cc2ccccc2CC1 ZINC001463754497 1068513754 /nfs/dbraw/zinc/51/37/54/1068513754.db2.gz FVBVRBKMNBIEMI-AREMUKBSSA-N 1 1 452.664 4.969 20 0 JJADMO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1S(=O)(=O)c1ccc2ncsc2c1 ZINC001463756683 1068514267 /nfs/dbraw/zinc/51/42/67/1068514267.db2.gz UUBMJFAFIRCHKP-NRFANRHFSA-N 1 1 457.665 4.650 20 0 JJADMO CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1S(=O)(=O)c1ccc2ncsc2c1 ZINC001463756683 1068514278 /nfs/dbraw/zinc/51/42/78/1068514278.db2.gz UUBMJFAFIRCHKP-NRFANRHFSA-N 1 1 457.665 4.650 20 0 JJADMO COc1cc(C)c(S(=O)(=O)N2CC[N@@H+](CCCc3ccccc3)C[C@@H]2CC(C)C)cc1C ZINC001463756734 1068514302 /nfs/dbraw/zinc/51/43/02/1068514302.db2.gz UXBJPOUBUJHVJC-DEOSSOPVSA-N 1 1 458.668 4.666 20 0 JJADMO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1S(=O)(=O)c1ccc2ncsc2c1 ZINC001463756688 1068514337 /nfs/dbraw/zinc/51/43/37/1068514337.db2.gz UUBMJFAFIRCHKP-OAQYLSRUSA-N 1 1 457.665 4.650 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1S(=O)(=O)c1ccc2ncsc2c1 ZINC001463756688 1068514346 /nfs/dbraw/zinc/51/43/46/1068514346.db2.gz UUBMJFAFIRCHKP-OAQYLSRUSA-N 1 1 457.665 4.650 20 0 JJADMO COc1cccc(C[C@@H](C)CC(=O)NN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC001463792606 1068526009 /nfs/dbraw/zinc/52/60/09/1068526009.db2.gz ACHBYZQTKACSFK-HSZRJFAPSA-N 1 1 457.618 4.702 20 0 JJADMO CCOc1ccc([C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)c2c[nH]c3ccccc32)cc1OC ZINC001463811559 1068533273 /nfs/dbraw/zinc/53/32/73/1068533273.db2.gz QHHOALROPGSKSB-NRFANRHFSA-N 1 1 451.611 4.801 20 0 JJADMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(I)cc1 ZINC001463826518 1068538082 /nfs/dbraw/zinc/53/80/82/1068538082.db2.gz TWGQTSNKGUTDSW-GOSISDBHSA-N 1 1 454.739 4.512 20 0 JJADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC001463864017 1068550291 /nfs/dbraw/zinc/55/02/91/1068550291.db2.gz UXJAQGODJKDUND-UHFFFAOYSA-N 1 1 456.590 4.745 20 0 JJADMO Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC001463911707 1068562963 /nfs/dbraw/zinc/56/29/63/1068562963.db2.gz FMNRLFQJCYOTEB-QHCPKHFHSA-N 1 1 459.565 4.915 20 0 JJADMO Cc1nc(S(=O)(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)c(-c2ccccc2)s1 ZINC001463998435 1068584565 /nfs/dbraw/zinc/58/45/65/1068584565.db2.gz DSXYHDAWAXTTMN-FHWLQOOXSA-N 1 1 455.649 4.791 20 0 JJADMO Cc1nc(S(=O)(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)c(-c2ccccc2)s1 ZINC001463998435 1068584572 /nfs/dbraw/zinc/58/45/72/1068584572.db2.gz DSXYHDAWAXTTMN-FHWLQOOXSA-N 1 1 455.649 4.791 20 0 JJADMO Cc1csc(-c2ccc(S(=O)(=O)N3CC[N@H+](Cc4ccccc4)[C@@H](C(C)C)C3)cc2)n1 ZINC001464085316 1068609010 /nfs/dbraw/zinc/60/90/10/1068609010.db2.gz UEAGFUAZAVQQNN-HSZRJFAPSA-N 1 1 455.649 4.650 20 0 JJADMO Cc1csc(-c2ccc(S(=O)(=O)N3CC[N@@H+](Cc4ccccc4)[C@@H](C(C)C)C3)cc2)n1 ZINC001464085316 1068609021 /nfs/dbraw/zinc/60/90/21/1068609021.db2.gz UEAGFUAZAVQQNN-HSZRJFAPSA-N 1 1 455.649 4.650 20 0 JJADMO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC001464089552 1068610885 /nfs/dbraw/zinc/61/08/85/1068610885.db2.gz YOAYCIJVGQFDKT-UHFFFAOYSA-N 1 1 453.945 4.823 20 0 JJADMO CC[C@H](CNC(=O)c1cc(-c2ccc(Br)cc2)no1)[N@H+]1CCc2ccccc2C1 ZINC001464097205 1068614108 /nfs/dbraw/zinc/61/41/08/1068614108.db2.gz GNZBOLYENGTULG-HXUWFJFHSA-N 1 1 454.368 4.671 20 0 JJADMO Cc1sc(C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1-c1ccc(F)cc1 ZINC001464100674 1068615500 /nfs/dbraw/zinc/61/55/00/1068615500.db2.gz VQIJJEWNANEUKY-DEOSSOPVSA-N 1 1 451.611 4.971 20 0 JJADMO Cc1sc(C(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)cc1-c1ccc(F)cc1 ZINC001464100674 1068615506 /nfs/dbraw/zinc/61/55/06/1068615506.db2.gz VQIJJEWNANEUKY-DEOSSOPVSA-N 1 1 451.611 4.971 20 0 JJADMO Cc1sc(C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)cc1-c1ccc(F)cc1 ZINC001464100674 1068615510 /nfs/dbraw/zinc/61/55/10/1068615510.db2.gz VQIJJEWNANEUKY-DEOSSOPVSA-N 1 1 451.611 4.971 20 0 JJADMO CC[C@@H](CNC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl)[N@H+]1CCc2ccccc2C1 ZINC001464101659 1068616078 /nfs/dbraw/zinc/61/60/78/1068616078.db2.gz QXROTIUKIWUOJY-FQEVSTJZSA-N 1 1 457.018 4.827 20 0 JJADMO CC[C@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCCC1)[N@H+]1CCc2ccccc2C1 ZINC001464103066 1068616763 /nfs/dbraw/zinc/61/67/63/1068616763.db2.gz XGKUSUIODUXEIM-DNQXCXABSA-N 1 1 457.659 4.803 20 0 JJADMO CC[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1)[N@H+]1CCc2ccccc2C1 ZINC001464103375 1068616847 /nfs/dbraw/zinc/61/68/47/1068616847.db2.gz YIOOIWWBVOWOGW-ZEQRLZLVSA-N 1 1 451.611 4.514 20 0 JJADMO CN1CC[NH+](Cc2ccc(NC(=O)c3cc(-c4cccc(C(F)(F)F)c4)ccn3)cc2)CC1 ZINC001464123541 1068623151 /nfs/dbraw/zinc/62/31/51/1068623151.db2.gz OWOXAIDJZIPIJA-UHFFFAOYSA-N 1 1 454.496 4.767 20 0 JJADMO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001464136494 1068629961 /nfs/dbraw/zinc/62/99/61/1068629961.db2.gz KSBDTGKFGVVZJN-VQTJNVASSA-N 1 1 450.341 4.579 20 0 JJADMO CCN1CC[NH+](Cc2ccc(CNC(=O)C3(c4cccc(Cl)c4)CCCCC3)cc2)CC1 ZINC001464157846 1068636982 /nfs/dbraw/zinc/63/69/82/1068636982.db2.gz JBDVOSHJAIHQLI-UHFFFAOYSA-N 1 1 454.058 4.996 20 0 JJADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001464157978 1068637103 /nfs/dbraw/zinc/63/71/03/1068637103.db2.gz NXFCNKISYHMKRT-AJTFRIOCSA-N 1 1 455.602 4.849 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(NC(=O)CSc2nccn2-c2ccc(C(F)(F)F)cc2)cn1 ZINC001464217716 1068661068 /nfs/dbraw/zinc/66/10/68/1068661068.db2.gz NWESEFBNDQXCOS-UHFFFAOYSA-N 1 1 458.469 4.511 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc3c(c2)[C@H](CNC(=O)OC(C)(C)C)CCC3)C1 ZINC001464221701 1068663185 /nfs/dbraw/zinc/66/31/85/1068663185.db2.gz XMMWQNXLMFZLKC-MZKRTTBSSA-N 1 1 457.659 4.729 20 0 JJADMO Cc1ccc(OCCCC(=O)Nc2ccc(CNC(=O)[C@H]3CCC[N@H+](C(C)C)C3)cc2)cc1 ZINC001464223751 1068664388 /nfs/dbraw/zinc/66/43/88/1068664388.db2.gz PEEVJMFFPWNREO-QHCPKHFHSA-N 1 1 451.611 4.529 20 0 JJADMO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC001464249762 1068675367 /nfs/dbraw/zinc/67/53/67/1068675367.db2.gz NVVGHVXHEHREFM-JOCHJYFZSA-N 1 1 450.627 4.645 20 0 JJADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(OCC2CCCCC2)cc1 ZINC001464278024 1068687435 /nfs/dbraw/zinc/68/74/35/1068687435.db2.gz WVYZQBBKVHPYBH-RLWLMLJZSA-N 1 1 456.652 4.835 20 0 JJADMO O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)c1cc(C(F)(F)F)ccc1Cl ZINC001464284479 1068691474 /nfs/dbraw/zinc/69/14/74/1068691474.db2.gz XLDJPSCULICNEH-UHFFFAOYSA-N 1 1 453.936 4.687 20 0 JJADMO C=CC(=O)N1CCC(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)(c2ccccc2)CC1 ZINC001464325074 1068706175 /nfs/dbraw/zinc/70/61/75/1068706175.db2.gz QMZAUPACTUOAOQ-UHFFFAOYSA-N 1 1 456.590 4.740 20 0 JJADMO Cc1cccc(NC(=O)Nc2cccc(CNC(=O)[C@@H]3CCCC[N@@H+]3Cc3ccncc3)c2)c1 ZINC001464331048 1068708397 /nfs/dbraw/zinc/70/83/97/1068708397.db2.gz PWOIHCYLGZQUKE-VWLOTQADSA-N 1 1 457.578 4.705 20 0 JJADMO Cc1cccc(NC(=O)Nc2cccc(CNC(=O)[C@@H]3CCCC[N@H+]3Cc3ccncc3)c2)c1 ZINC001464331048 1068708413 /nfs/dbraw/zinc/70/84/13/1068708413.db2.gz PWOIHCYLGZQUKE-VWLOTQADSA-N 1 1 457.578 4.705 20 0 JJADMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(-n3nc(SCc4ccccc4)sc3=S)cc2)C1 ZINC001464365653 1068720448 /nfs/dbraw/zinc/72/04/48/1068720448.db2.gz VFAZDPBMRGZCQF-KRWDZBQOSA-N 1 1 456.662 4.637 20 0 JJADMO C[N@@H+](Cc1ccccc1CNC(=O)[C@H]1CO[C@H](CCC(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC001464399968 1068732523 /nfs/dbraw/zinc/73/25/23/1068732523.db2.gz DRELXMHYJGJPGM-ISKFKSNPSA-N 1 1 458.643 4.594 20 0 JJADMO C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]1CO[C@@H](CCC(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC001464399992 1068732612 /nfs/dbraw/zinc/73/26/12/1068732612.db2.gz DRELXMHYJGJPGM-UPVQGACJSA-N 1 1 458.643 4.594 20 0 JJADMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC001464412795 1068737249 /nfs/dbraw/zinc/73/72/49/1068737249.db2.gz GWEAGVMPNPKCBF-ZSTWQFLISA-N 1 1 456.030 4.684 20 0 JJADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3cc4ccc(Br)cc4s3)c2)CCO1 ZINC001464416742 1068738305 /nfs/dbraw/zinc/73/83/05/1068738305.db2.gz DSGDEBKMCCXOIJ-HNNXBMFYSA-N 1 1 459.409 4.815 20 0 JJADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3cc4ccc(Br)cc4s3)c2)CCO1 ZINC001464416742 1068738317 /nfs/dbraw/zinc/73/83/17/1068738317.db2.gz DSGDEBKMCCXOIJ-HNNXBMFYSA-N 1 1 459.409 4.815 20 0 JJADMO CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)Cc1coc2c1ccc(Cl)c2Cl ZINC001464421070 1068739320 /nfs/dbraw/zinc/73/93/20/1068739320.db2.gz YLLXYFHALBZYCC-INIZCTEOSA-N 1 1 455.382 4.548 20 0 JJADMO Cc1nc2sc(-c3ccccc3)cc2c(NCC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC001464452169 1068751266 /nfs/dbraw/zinc/75/12/66/1068751266.db2.gz OHCVJEQSXVVBAO-QGZVFWFLSA-N 1 1 451.640 4.705 20 0 JJADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001464452435 1068751342 /nfs/dbraw/zinc/75/13/42/1068751342.db2.gz ORKVNMWQLNCAOK-QIJUGHKUSA-N 1 1 478.077 4.917 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)C1 ZINC001464469568 1068758252 /nfs/dbraw/zinc/75/82/52/1068758252.db2.gz QAMUOSDUPFQRNG-RZUBCFFCSA-N 1 1 451.696 4.970 20 0 JJADMO CC(C)(C)OC(=O)N1CCC(Cc2ccccc2C(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001464534869 1068774474 /nfs/dbraw/zinc/77/44/74/1068774474.db2.gz CILLUHOWWYUGNP-UHFFFAOYSA-N 1 1 457.659 4.823 20 0 JJADMO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C)[NH+](C)C ZINC001464537978 1068775749 /nfs/dbraw/zinc/77/57/49/1068775749.db2.gz HRFQLAJXDKWRNO-YDFBLROQSA-N 1 1 451.442 4.997 20 0 JJADMO C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)c2)C1 ZINC001464574148 1068787791 /nfs/dbraw/zinc/78/77/91/1068787791.db2.gz OGEVIHJNNMICDW-NFBKMPQASA-N 1 1 459.631 4.663 20 0 JJADMO O=C(c1ccn(-c2ccc(Cl)c(Cl)c2)n1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC001464667383 1068817954 /nfs/dbraw/zinc/81/79/54/1068817954.db2.gz NIVQETXZKVBGHZ-UHFFFAOYSA-N 1 1 457.405 4.960 20 0 JJADMO O=S(=O)(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1c(Cl)cccc1Cl ZINC001464710306 1068834196 /nfs/dbraw/zinc/83/41/96/1068834196.db2.gz VKSRYPDWIWSAGE-SIKLNZKXSA-N 1 1 461.414 4.940 20 0 JJADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@H]5c6ccccc6NC(=O)[C@H]5C4)c23)C1 ZINC001164401073 718858520 /nfs/dbraw/zinc/85/85/20/718858520.db2.gz BTTBTHDFMJXMOD-UXPWSPDFSA-N 1 1 473.646 4.584 20 0 JJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3c4ccccc4NC(=O)[C@@H]3C2)n1 ZINC001164403332 718858784 /nfs/dbraw/zinc/85/87/84/718858784.db2.gz MHNXHJBSBNAXEE-RBUKOAKNSA-N 1 1 455.587 4.592 20 0 JJADMO FC1(F)CO[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@@H]21 ZINC001164426253 718928721 /nfs/dbraw/zinc/92/87/21/718928721.db2.gz YTLCFBWCLGXYMB-RBUKOAKNSA-N 1 1 456.562 4.815 20 0 JJADMO COc1ccc(-c2csc3nc(-c4cccnc4)nc(N4C[C@H](C)[N@@H+](C)C[C@H]4C)c23)cc1OC ZINC001164635971 719237407 /nfs/dbraw/zinc/23/74/07/719237407.db2.gz RODRCUTWVCKEGG-DLBZAZTESA-N 1 1 475.618 4.966 20 0 JJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)CC2 ZINC001164648377 719311667 /nfs/dbraw/zinc/31/16/67/719311667.db2.gz JOYAEJAGOQCSAT-UHFFFAOYSA-N 1 1 469.367 4.883 20 0 JJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)CC2 ZINC001164648701 719312730 /nfs/dbraw/zinc/31/27/30/719312730.db2.gz KPHWNYAIIDHYNU-UHFFFAOYSA-N 1 1 460.960 4.744 20 0 JJADMO CC(C)n1nc(CN(C)C)c2c1CN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164652023 719315031 /nfs/dbraw/zinc/31/50/31/719315031.db2.gz LRNVDVPOOIMWNC-UHFFFAOYSA-N 1 1 493.725 4.568 20 0 JJADMO COC(=O)C[C@@H](c1ccnc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c1)C1CC1 ZINC001164692654 719812654 /nfs/dbraw/zinc/81/26/54/719812654.db2.gz QTONMAIYXWOJOV-JOCHJYFZSA-N 1 1 454.640 4.538 20 0 JJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc(C(=O)NC4CCCC4)cc2Cl)CC3)cs1 ZINC001164693566 719814001 /nfs/dbraw/zinc/81/40/01/719814001.db2.gz WIWDKGRMUXKDIH-UHFFFAOYSA-N 1 1 474.074 4.807 20 0 JJADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)COC(=O)Nc2ccc(Cl)nc2)CC3)cs1 ZINC001164698520 719816395 /nfs/dbraw/zinc/81/63/95/719816395.db2.gz DIEADNCHDQSEBG-UHFFFAOYSA-N 1 1 485.988 4.772 20 0 JJADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)COC(=O)Nc2ccc(Cl)nc2)CC3)cs1 ZINC001164698520 719816397 /nfs/dbraw/zinc/81/63/97/719816397.db2.gz DIEADNCHDQSEBG-UHFFFAOYSA-N 1 1 485.988 4.772 20 0 JJADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCn4c(-c5ccc(C(N)=O)cc5)cnc43)CC2)nc1 ZINC001164695060 719830561 /nfs/dbraw/zinc/83/05/61/719830561.db2.gz ATFXVYLGJNMJOC-DEOSSOPVSA-N 1 1 484.648 4.533 20 0 JJADMO Cc1cccc(Sc2cncc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)n2)c1 ZINC001164697621 719895865 /nfs/dbraw/zinc/89/58/65/719895865.db2.gz MCWFTNJIQLSHIN-UHFFFAOYSA-N 1 1 452.649 4.869 20 0 JJADMO CSc1ccc(Oc2cc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)ncn2)cc1 ZINC001164699070 719895875 /nfs/dbraw/zinc/89/58/75/719895875.db2.gz WSDDSWVJSRLFJD-UHFFFAOYSA-N 1 1 468.648 4.924 20 0 JJADMO c1csc(C[N@@H+]2CCOC3(CCN(c4ncnc5c(-c6ccccc6)nsc54)CC3)C2)c1 ZINC001164706672 719898329 /nfs/dbraw/zinc/89/83/29/719898329.db2.gz JUCDPNRORLLOKR-UHFFFAOYSA-N 1 1 463.632 4.686 20 0 JJADMO c1csc(C[N@H+]2CCOC3(CCN(c4ncnc5c(-c6ccccc6)nsc54)CC3)C2)c1 ZINC001164706672 719898330 /nfs/dbraw/zinc/89/83/30/719898330.db2.gz JUCDPNRORLLOKR-UHFFFAOYSA-N 1 1 463.632 4.686 20 0 JJADMO Fc1ccc(-c2ccc(Cl)nn2)cc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164707342 719899080 /nfs/dbraw/zinc/89/90/80/719899080.db2.gz PTEDSHZZWBMXAC-UHFFFAOYSA-N 1 1 458.990 4.869 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccc3F)nc3ccc(F)cc31)C2 ZINC001164808474 720092424 /nfs/dbraw/zinc/09/24/24/720092424.db2.gz HQTRRLIAGYESDY-WINIVTDRSA-N 1 1 464.560 4.760 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3c(OC)cccc13)CC2 ZINC001164709748 720093890 /nfs/dbraw/zinc/09/38/90/720093890.db2.gz CSSWHSKISBKPJB-FQEVSTJZSA-N 1 1 467.013 4.799 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)CC2 ZINC001164719460 720114242 /nfs/dbraw/zinc/11/42/42/720114242.db2.gz XGPJCXTXDAFUNB-FQEVSTJZSA-N 1 1 487.982 4.731 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3cc(Cl)ccc31)CC2 ZINC001164719547 720117933 /nfs/dbraw/zinc/11/79/33/720117933.db2.gz YUFVDTODHBDHQQ-LJQANCHMSA-N 1 1 472.420 4.839 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)ncc1-c1ccccc1)CC2 ZINC001164718062 720119131 /nfs/dbraw/zinc/11/91/31/720119131.db2.gz RHNIKHRVHOWXKB-JOCHJYFZSA-N 1 1 464.013 4.700 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)ncc1OCc1ccccc1)CC2 ZINC001164718592 720120588 /nfs/dbraw/zinc/12/05/88/720120588.db2.gz SYDZNENBVOWTBE-HSZRJFAPSA-N 1 1 494.039 4.612 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164816144 720123187 /nfs/dbraw/zinc/12/31/87/720123187.db2.gz XSOALVWGGURBCS-KKSFZXQISA-N 1 1 471.379 4.666 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc3cc(OCc4ccccc4)ccc3n1)C2 ZINC001164810495 720130621 /nfs/dbraw/zinc/13/06/21/720130621.db2.gz JXOMPBQKIMIDSJ-VAVYLYDRSA-N 1 1 457.618 4.999 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccc3F)nc3ccc(C)cc31)C2 ZINC001164806998 720131869 /nfs/dbraw/zinc/13/18/69/720131869.db2.gz ADBFZMCALFBGAM-RBTNQOKQSA-N 1 1 460.597 4.929 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)CC2 ZINC001164710521 720135440 /nfs/dbraw/zinc/13/54/40/720135440.db2.gz CBLZRWIAKRWXJR-LJQANCHMSA-N 1 1 475.971 4.664 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc(-c3ccc(F)cc3)n1)CC2 ZINC001164712668 720146210 /nfs/dbraw/zinc/14/62/10/720146210.db2.gz OETDWCRGACLNHE-QFIPXVFZSA-N 1 1 482.003 4.839 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C(C)(C)C)nc(C(C)C)n1)CC2 ZINC001164713572 720148474 /nfs/dbraw/zinc/14/84/74/720148474.db2.gz SDMAMJPABRNFIY-QFIPXVFZSA-N 1 1 451.659 4.800 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)C1(c3ccnc(Cl)c3)CC1)CC2 ZINC001164714087 720155836 /nfs/dbraw/zinc/15/58/36/720155836.db2.gz OLVUMZBBGOAXEO-NRFANRHFSA-N 1 1 476.999 4.758 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc3cc(Cl)ncc3cc1OC)CC2 ZINC001164716224 720157768 /nfs/dbraw/zinc/15/77/68/720157768.db2.gz ZAQFCNTWTZCTFC-QFIPXVFZSA-N 1 1 467.013 4.799 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)C2 ZINC001164815080 720182342 /nfs/dbraw/zinc/18/23/42/720182342.db2.gz HWZCTTOZNNHWPE-REWPJTCUSA-N 1 1 462.972 4.527 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(CN(C)C)nc3scc(-c4ccccc4)c31)C2 ZINC001164816894 720187089 /nfs/dbraw/zinc/18/70/89/720187089.db2.gz NOSFGRDYSLWKBA-RBISFHTESA-N 1 1 491.705 4.605 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3cccc(C)c3)nnc1Cl)C2 ZINC001164814672 720203176 /nfs/dbraw/zinc/20/31/76/720203176.db2.gz WANOYKZHJLBOIF-GBXCKJPGSA-N 1 1 476.999 4.835 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)C2 ZINC001164815184 720203193 /nfs/dbraw/zinc/20/31/93/720203193.db2.gz WUWBSXSAJIBRHQ-MBSDFSHPSA-N 1 1 480.962 4.666 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3ccc(C)cc3)nnc1Cl)C2 ZINC001164814587 720204176 /nfs/dbraw/zinc/20/41/76/720204176.db2.gz UUNYPCFCBZLGKL-YKSBVNFPSA-N 1 1 476.999 4.835 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)C2 ZINC001164810323 720206003 /nfs/dbraw/zinc/20/60/03/720206003.db2.gz CBRRUDYELJCJBR-XMSQKQJNSA-N 1 1 451.945 4.725 20 0 JJADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(-c3ccccc3)cc(-c3ccccc3)n1)CCC2 ZINC001164813425 720217586 /nfs/dbraw/zinc/21/75/86/720217586.db2.gz LXEVYDGTOFLIHY-UHFFFAOYSA-N 1 1 480.616 4.618 20 0 JJADMO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)n2)cc1 ZINC001164725619 720359904 /nfs/dbraw/zinc/35/99/04/720359904.db2.gz OKGRWNQHSOGERA-RPBOFIJWSA-N 1 1 455.537 4.693 20 0 JJADMO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723786 720390885 /nfs/dbraw/zinc/39/08/85/720390885.db2.gz HIHIYLPVDINWIL-ROUUACIJSA-N 1 1 450.320 4.730 20 0 JJADMO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164723786 720390889 /nfs/dbraw/zinc/39/08/89/720390889.db2.gz HIHIYLPVDINWIL-ROUUACIJSA-N 1 1 450.320 4.730 20 0 JJADMO Cc1nc(CO[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164825020 720391064 /nfs/dbraw/zinc/39/10/64/720391064.db2.gz TVFYKIVICDEACB-TXTKFYIRSA-N 1 1 499.706 4.622 20 0 JJADMO Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)O2)n1 ZINC001164827558 720408399 /nfs/dbraw/zinc/40/83/99/720408399.db2.gz FZUVWVFMNHXIAO-ZCNNSNEGSA-N 1 1 494.665 4.746 20 0 JJADMO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3c3nc(C[NH+](C)C)nc4scc(-c5ccccc5)c43)O2)n1 ZINC001164828734 720409668 /nfs/dbraw/zinc/40/96/68/720409668.db2.gz KRAFZYNMQQUPIJ-AQNXPRMDSA-N 1 1 476.606 4.610 20 0 JJADMO c1cncc(C[N@H+]2CC[C@H]3[C@H]2CCN3c2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)c1 ZINC001164730926 720433354 /nfs/dbraw/zinc/43/33/54/720433354.db2.gz JUBFXCZRUVUPTN-YADHBBJMSA-N 1 1 468.630 4.880 20 0 JJADMO c1cncc(C[N@@H+]2CC[C@@H]3[C@H]2CCN3c2nc(CN3CCCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164731519 720440925 /nfs/dbraw/zinc/44/09/25/720440925.db2.gz LKWVYERWTGUIKD-DHIUTWEWSA-N 1 1 488.705 4.804 20 0 JJADMO Fc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164723568 720484560 /nfs/dbraw/zinc/48/45/60/720484560.db2.gz CLTWQAZFYUYSBT-SFTDATJTSA-N 1 1 459.903 4.729 20 0 JJADMO Fc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164723568 720484567 /nfs/dbraw/zinc/48/45/67/720484567.db2.gz CLTWQAZFYUYSBT-SFTDATJTSA-N 1 1 459.903 4.729 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@@]3(C[C@H](CNc4cccc(F)c4)CO3)C2)nc1 ZINC001164725774 720496772 /nfs/dbraw/zinc/49/67/72/720496772.db2.gz KDZVELVOFGFTBO-DUFKRMHYSA-N 1 1 482.644 4.882 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)CC[C@@H]21 ZINC001164838445 720537323 /nfs/dbraw/zinc/53/73/23/720537323.db2.gz NWAGFLIOJBYTLR-ZNZIZOMTSA-N 1 1 479.632 4.780 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc(-c4ccco4)nnc3Cl)CC[C@@H]21 ZINC001164835601 720609383 /nfs/dbraw/zinc/60/93/83/720609383.db2.gz BRZWGMIVJMRTLZ-UWVAXJGDSA-N 1 1 476.959 4.509 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(F)ccc3-c3ccc(Cl)nn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838836 720620132 /nfs/dbraw/zinc/62/01/32/720620132.db2.gz MAUREGJNADPLEH-LQBOVUBWSA-N 1 1 454.981 4.510 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(F)ccc3-c3ccc(Cl)nn3)CC[C@@H]21 ZINC001164838832 720620607 /nfs/dbraw/zinc/62/06/07/720620607.db2.gz MAUREGJNADPLEH-JLMWRMLUSA-N 1 1 454.981 4.510 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836602 720630016 /nfs/dbraw/zinc/63/00/16/720630016.db2.gz FXYJXJNDPLRIQR-UNWVZKJWSA-N 1 1 486.998 4.916 20 0 JJADMO COc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164841950 720643918 /nfs/dbraw/zinc/64/39/18/720643918.db2.gz RGRSTOHZTQGOKY-CNNODRBYSA-N 1 1 483.016 4.505 20 0 JJADMO COc1cc2c(cc1F)cc(Cl)nc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164838829 720651265 /nfs/dbraw/zinc/65/12/65/720651265.db2.gz HRMDSADDELZYQM-LVCYWYKZSA-N 1 1 457.981 4.610 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc(Cl)n1)CC2 ZINC001164838287 720661199 /nfs/dbraw/zinc/66/11/99/720661199.db2.gz HAKIXGOKUKZCGJ-INIZCTEOSA-N 1 1 457.352 4.588 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)nc1Cl)CC2 ZINC001164841068 720661517 /nfs/dbraw/zinc/66/15/17/720661517.db2.gz PCMSYQUSTDRRBQ-INIZCTEOSA-N 1 1 457.352 4.588 20 0 JJADMO CCOC(=O)c1cnc(Cl)c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1Cl ZINC001164838326 720674233 /nfs/dbraw/zinc/67/42/33/720674233.db2.gz HDTLIZKJZFBZIW-SFHVURJKSA-N 1 1 478.420 4.825 20 0 JJADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840423 720688247 /nfs/dbraw/zinc/68/82/47/720688247.db2.gz DRGKBYONXQWBHH-FQEVSTJZSA-N 1 1 495.023 4.720 20 0 JJADMO COc1cccc2c1nc(Cl)nc2N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164842650 720688622 /nfs/dbraw/zinc/68/86/22/720688622.db2.gz MBCUNERRRPSQTK-IBGZPJMESA-N 1 1 452.986 4.552 20 0 JJADMO COc1ccc(C(F)(F)N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)n1 ZINC001164844898 720689519 /nfs/dbraw/zinc/68/95/19/720689519.db2.gz VZQQBQZJJSHRGF-GOSISDBHSA-N 1 1 451.945 4.548 20 0 JJADMO COc1ccc(C(F)(F)N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1Cl ZINC001164845418 720696811 /nfs/dbraw/zinc/69/68/11/720696811.db2.gz ZIGBMKOCHLOZIF-SFHVURJKSA-N 1 1 451.945 4.548 20 0 JJADMO Cc1nc(C(F)(F)N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(Cl)c1C ZINC001164843311 720699477 /nfs/dbraw/zinc/69/94/77/720699477.db2.gz NIPWCKGCVAKIOT-LJQANCHMSA-N 1 1 450.961 4.552 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)cc(Cc3ccccc3)n1)CC2 ZINC001164836449 720705749 /nfs/dbraw/zinc/70/57/49/720705749.db2.gz ASDGTJPKNAWEFO-DEOSSOPVSA-N 1 1 463.025 4.981 20 0 JJADMO CC(C)n1ccc2c1nc(Cl)nc2N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840293 720709066 /nfs/dbraw/zinc/70/90/66/720709066.db2.gz OQRUEUODISCKOE-HXUWFJFHSA-N 1 1 454.018 4.926 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cc(C3CC3)nnc1Cl)CC2 ZINC001164838209 720713983 /nfs/dbraw/zinc/71/39/83/720713983.db2.gz HPMWCVWUPFDYAV-IBGZPJMESA-N 1 1 462.972 4.812 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1cc(C3CC3)nnc1Cl)CC2 ZINC001164838210 720714095 /nfs/dbraw/zinc/71/40/95/720714095.db2.gz HPMWCVWUPFDYAV-LJQANCHMSA-N 1 1 462.972 4.812 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(C(=O)NC3CCCC3)cc1Cl)CC2 ZINC001164839730 720714509 /nfs/dbraw/zinc/71/45/09/720714509.db2.gz MRGWBIKCCVUUAC-HSZRJFAPSA-N 1 1 483.056 4.667 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(C(=O)OCc3ccccc3)cn1)CC2 ZINC001164842868 720717061 /nfs/dbraw/zinc/71/70/61/720717061.db2.gz ZPFNAKNAFYVRDR-AREMUKBSSA-N 1 1 471.601 4.699 20 0 JJADMO Cc1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(-c2ccc(Cl)nc2)n1 ZINC001164839624 720722493 /nfs/dbraw/zinc/72/24/93/720722493.db2.gz MFQUKONFPOIHKN-JOCHJYFZSA-N 1 1 464.013 4.760 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4O[C@H](COCc5ccccn5)CC[C@@H]43)c2c1C ZINC001164846248 720776961 /nfs/dbraw/zinc/77/69/61/720776961.db2.gz IJCCEHOGGVYYFX-VABKMULXSA-N 1 1 493.677 4.642 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)nc1 ZINC001164844345 720780095 /nfs/dbraw/zinc/78/00/95/720780095.db2.gz BMTJOBIMMMYBMY-POTDNYQPSA-N 1 1 450.627 4.757 20 0 JJADMO Clc1nc(Cl)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1Cl ZINC001164739208 720820113 /nfs/dbraw/zinc/82/01/13/720820113.db2.gz HSGBENPVIYIOPZ-MELADBBJSA-N 1 1 476.239 4.666 20 0 JJADMO c1ncn(C[C@H]2C[C@H]3CN(c4cnc(-c5ccccc5)c(-c5ccccc5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164737704 720826929 /nfs/dbraw/zinc/82/69/29/720826929.db2.gz CDRAZVYFMXSGIM-OYUWMTPXSA-N 1 1 491.643 4.782 20 0 JJADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748302 720837479 /nfs/dbraw/zinc/83/74/79/720837479.db2.gz SXCUKBITBKPMLH-MBOZVWFJSA-N 1 1 487.435 4.521 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c3ccccc32)cc1 ZINC001164750281 720845708 /nfs/dbraw/zinc/84/57/08/720845708.db2.gz WYSCEFBHGBUKPJ-ONBPZOJHSA-N 1 1 479.632 4.576 20 0 JJADMO Cc1nc([C@H]2COCCN2c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)cs1 ZINC001164745484 720864463 /nfs/dbraw/zinc/86/44/63/720864463.db2.gz DSXSDMZXIYGUBM-LJQANCHMSA-N 1 1 469.680 4.899 20 0 JJADMO Cc1cc(C(F)(F)N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc(Cl)n1 ZINC001164754320 720871602 /nfs/dbraw/zinc/87/16/02/720871602.db2.gz REEXZNFSPFAKHB-VWNXMTODSA-N 1 1 476.999 4.738 20 0 JJADMO Cc1cc(C(F)(F)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc(Cl)n1 ZINC001164754314 720871810 /nfs/dbraw/zinc/87/18/10/720871810.db2.gz REEXZNFSPFAKHB-ISKFKSNPSA-N 1 1 476.999 4.738 20 0 JJADMO Cc1cc2c(nc(Cl)nc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)s1 ZINC001164751637 720882326 /nfs/dbraw/zinc/88/23/26/720882326.db2.gz DAHMFMBANHZHIZ-NLFFAJNJSA-N 1 1 484.069 4.803 20 0 JJADMO CSc1cc(Cl)ncc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757505 720884926 /nfs/dbraw/zinc/88/49/26/720884926.db2.gz VIWLVPNFLKMKCD-RDPSFJRHSA-N 1 1 459.059 4.607 20 0 JJADMO Cc1ccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c(Cl)nc2c1 ZINC001164758416 720886967 /nfs/dbraw/zinc/88/69/67/720886967.db2.gz XVTHCEVSVUCPDX-AMGIVPHBSA-N 1 1 478.040 4.742 20 0 JJADMO Cc1sc2nc(C)nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1C ZINC001164750605 720888572 /nfs/dbraw/zinc/88/85/72/720888572.db2.gz BKIDDVRHBKPYBB-WNCULLNHSA-N 1 1 477.678 4.767 20 0 JJADMO Cc1ccc2c(c1)nc(Cl)nc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754483 720891309 /nfs/dbraw/zinc/89/13/09/720891309.db2.gz JAPSTBIKVZTPTN-WXVAWEFUSA-N 1 1 478.040 4.742 20 0 JJADMO Cc1cccc2nc(Cl)nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164755637 720899366 /nfs/dbraw/zinc/89/93/66/720899366.db2.gz MHDJPBIWBUYEJJ-AMGIVPHBSA-N 1 1 478.040 4.742 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)nc1 ZINC001164859723 720901882 /nfs/dbraw/zinc/90/18/82/720901882.db2.gz PPOPLMDGHLXETL-OARDWFSCSA-N 1 1 462.638 4.577 20 0 JJADMO Fc1cccc(Oc2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)c1 ZINC001164754008 720902507 /nfs/dbraw/zinc/90/25/07/720902507.db2.gz IDEITSKRSWUCHZ-NEKDWFFYSA-N 1 1 489.595 4.558 20 0 JJADMO Fc1cc2ncnc(Cl)c2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164757131 720903194 /nfs/dbraw/zinc/90/31/94/720903194.db2.gz SUTSWZFAQRKNCX-FNZWTVRRSA-N 1 1 482.003 4.572 20 0 JJADMO Cc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)cc1Cl ZINC001164756249 720903664 /nfs/dbraw/zinc/90/36/64/720903664.db2.gz OTISDQBXQCRAOO-RDPSFJRHSA-N 1 1 461.437 4.847 20 0 JJADMO CC(C)(C)OC(=O)Nc1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164754613 720906798 /nfs/dbraw/zinc/90/67/98/720906798.db2.gz WFRYGRXVSFLBGU-FIPFOOKPSA-N 1 1 493.652 4.579 20 0 JJADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749003 720910007 /nfs/dbraw/zinc/91/00/07/720910007.db2.gz HFEIQHARWYNQTP-CUNXSJBXSA-N 1 1 484.088 4.886 20 0 JJADMO Cc1ccc(C)c(-c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)c1 ZINC001164749124 720916938 /nfs/dbraw/zinc/91/69/38/720916938.db2.gz HWVLUGKFZHARLR-FREGXXQWSA-N 1 1 483.660 4.911 20 0 JJADMO Clc1cccc(-c2cc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncn2)c1 ZINC001164746491 720917291 /nfs/dbraw/zinc/91/72/91/720917291.db2.gz AYSUBMWCHBNGFT-UFHPHHKVSA-N 1 1 490.051 4.947 20 0 JJADMO Cc1cc(-c2ccccc2F)nnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755170 720933470 /nfs/dbraw/zinc/93/34/70/720933470.db2.gz ZHOBSEUNZAJXPT-GIGWZHCTSA-N 1 1 487.623 4.741 20 0 JJADMO CC[C@H](C)c1nc2[nH]ccc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164749946 720940570 /nfs/dbraw/zinc/94/05/70/720940570.db2.gz IOJJOSJCTNTSEP-GTFGCAHESA-N 1 1 474.653 4.622 20 0 JJADMO CC(C)CN1[C@H]2CC[N@@H+](C(C)(C)c3ccnc(Cl)c3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001164755535 720971802 /nfs/dbraw/zinc/97/18/02/720971802.db2.gz AEVWROMGBUEYDN-PMACEKPBSA-N 1 1 478.058 4.542 20 0 JJADMO CC(C)CN1[C@H]2CC[N@H+](C(C)(C)c3ccnc(Cl)c3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001164755535 720971810 /nfs/dbraw/zinc/97/18/10/720971810.db2.gz AEVWROMGBUEYDN-PMACEKPBSA-N 1 1 478.058 4.542 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@@]4(C[C@@H](OCc5ccccn5)CO4)C3)c2c1C ZINC001164760808 721030821 /nfs/dbraw/zinc/03/08/21/721030821.db2.gz DMCNFBGUOXGOSN-AJTFRIOCSA-N 1 1 493.677 4.644 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)nc1 ZINC001164759844 721031925 /nfs/dbraw/zinc/03/19/25/721031925.db2.gz AEKAXTFDPCABKP-SLQPCKNISA-N 1 1 450.627 4.758 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3c(nnn3CC)[C@H]2COCc2ccccc2)nc1 ZINC001164771572 721049369 /nfs/dbraw/zinc/04/93/69/721049369.db2.gz MVQSJFKHRRZHCM-AOYPEHQESA-N 1 1 474.653 4.951 20 0 JJADMO Cc1ccc(-c2csc3ncnc(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@H]5C4)c23)cc1 ZINC001164867686 721076788 /nfs/dbraw/zinc/07/67/88/721076788.db2.gz ZOGVEIPVXPDEIL-FCHUYYIVSA-N 1 1 457.603 4.541 20 0 JJADMO Fc1ccc(-c2nc3cc(Cl)ccc3c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164864421 721103426 /nfs/dbraw/zinc/10/34/26/721103426.db2.gz FVFHNASMSNZBOB-PKTZIBPZSA-N 1 1 489.982 4.964 20 0 JJADMO Clc1ccc2c(c1)nc(-c1ccccc1)nc2N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164864871 721104702 /nfs/dbraw/zinc/10/47/02/721104702.db2.gz GZTVSJMYJQKDIS-DHIUTWEWSA-N 1 1 471.992 4.825 20 0 JJADMO c1ccc(COc2ccc3nc(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)ccc3c2)cc1 ZINC001164864412 721105285 /nfs/dbraw/zinc/10/52/85/721105285.db2.gz FTTSIZMKHLEGLJ-XNMGPUDCSA-N 1 1 466.585 4.689 20 0 JJADMO Clc1ccc2c(c1)nc(-c1ccccc1)nc2N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164864873 721105729 /nfs/dbraw/zinc/10/57/29/721105729.db2.gz GZTVSJMYJQKDIS-PKTZIBPZSA-N 1 1 471.992 4.825 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(-c5ccc(Cl)cc5)nc5ccccc54)C[C@H]3C2)cn1 ZINC001164773810 721127601 /nfs/dbraw/zinc/12/76/01/721127601.db2.gz ZCZNQRYGQWINOS-LEWJYISDSA-N 1 1 458.997 4.642 20 0 JJADMO c1cncc(CO[C@@H]2C[C@@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCCC6)CC[N@H+]3C2)c1 ZINC001164870311 721137975 /nfs/dbraw/zinc/13/79/75/721137975.db2.gz CMJSOEXTSWGZCW-FGZHOGPDSA-N 1 1 498.656 4.507 20 0 JJADMO Clc1ccc(-c2cc3ncnc(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)c3s2)cc1 ZINC001164878430 721142879 /nfs/dbraw/zinc/14/28/79/721142879.db2.gz QCLLJDPUEDWNMH-RTWAWAEBSA-N 1 1 478.021 4.886 20 0 JJADMO Cc1sc2ncnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1-c1ccccc1 ZINC001164876498 721144486 /nfs/dbraw/zinc/14/44/86/721144486.db2.gz MTPFKEVCVDNIOP-VXKWHMMOSA-N 1 1 457.603 4.541 20 0 JJADMO Clc1cccc(-c2nc3c(c(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)n2)CCCC3)c1 ZINC001164870321 721167660 /nfs/dbraw/zinc/16/76/60/721167660.db2.gz CNFHURPKLZXYDP-PKTZIBPZSA-N 1 1 476.024 4.551 20 0 JJADMO Fc1cccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164879917 721169350 /nfs/dbraw/zinc/16/93/50/721169350.db2.gz VJWBITNNGUARRD-FGZHOGPDSA-N 1 1 488.941 4.961 20 0 JJADMO Fc1ccccc1-c1cc(C(F)(F)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cnc1Cl ZINC001164881004 721170021 /nfs/dbraw/zinc/17/00/21/721170021.db2.gz YTTRMDRGJSPZHU-UXHICEINSA-N 1 1 488.941 4.961 20 0 JJADMO Fc1cccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)cnc2Cl)c1 ZINC001164879915 721170089 /nfs/dbraw/zinc/17/00/89/721170089.db2.gz VJWBITNNGUARRD-FCHUYYIVSA-N 1 1 488.941 4.961 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc5sc(-c6ccccc6)cc54)C[C@@H]3C2)cn1 ZINC001164767649 721171287 /nfs/dbraw/zinc/17/12/87/721171287.db2.gz KHMGGSPMTIGESS-MOPGFXCFSA-N 1 1 465.026 4.704 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(-c5ccc(Cl)nc5)ccc4C4OCCCO4)C[C@H]3C2)cn1 ZINC001164774411 721176221 /nfs/dbraw/zinc/17/62/21/721176221.db2.gz YZXVLQWLHGPQFB-DHIUTWEWSA-N 1 1 494.039 4.529 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncnc5scc(-c6ccc(Cl)cc6)c54)C[C@@H]3C2)cn1 ZINC001164766983 721194220 /nfs/dbraw/zinc/19/42/20/721194220.db2.gz JVAORFUKCNFCHA-OALUTQOASA-N 1 1 465.026 4.704 20 0 JJADMO Cc1ccc(-c2nnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c3ccccc32)cc1C ZINC001164766017 721197669 /nfs/dbraw/zinc/19/76/69/721197669.db2.gz IUVFLOQUEVWQFR-BJKOFHAPSA-N 1 1 452.606 4.605 20 0 JJADMO Cc1ccc(-c2nnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c3ccccc32)cc1C ZINC001164766045 721197877 /nfs/dbraw/zinc/19/78/77/721197877.db2.gz IUVFLOQUEVWQFR-ZEQRLZLVSA-N 1 1 452.606 4.605 20 0 JJADMO Cc1sc2nc(-c3cccs3)nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1C ZINC001164763382 721201135 /nfs/dbraw/zinc/20/11/35/721201135.db2.gz FQZFWEOZKGBZAY-RBUKOAKNSA-N 1 1 464.664 4.728 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccc(OCc5ccc(Cl)nc5)cc4)C[C@H]3C2)cn1 ZINC001164771858 721218053 /nfs/dbraw/zinc/21/80/53/721218053.db2.gz RKDWAOKLOZSXCY-LEWJYISDSA-N 1 1 487.982 4.551 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccc(OCc5ccc(Cl)nc5)cc4)C[C@@H]3C2)cn1 ZINC001164771860 721218144 /nfs/dbraw/zinc/21/81/44/721218144.db2.gz RKDWAOKLOZSXCY-RTWAWAEBSA-N 1 1 487.982 4.551 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(-c5ccsc5)nc5sc6c(c54)CCCC6)C[C@H]3C2)cn1 ZINC001164765102 721218667 /nfs/dbraw/zinc/21/86/67/721218667.db2.gz HUHYXMAIBFBGPX-AZUAARDMSA-N 1 1 490.702 4.990 20 0 JJADMO c1ccc(C[N@H+]2CCc3nc(N4CCc5c(COCc6ccccn6)cncc5C4)ccc3C2)cc1 ZINC001164763664 721269630 /nfs/dbraw/zinc/26/96/30/721269630.db2.gz DVMXCBZXAUPIEW-UHFFFAOYSA-N 1 1 477.612 4.709 20 0 JJADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCC5(CCC(=O)N5CC5CC5)CC3)n2)CCC4)CC1 ZINC001164775707 721306862 /nfs/dbraw/zinc/30/68/62/721306862.db2.gz INSYHSBKEMSTNV-UHFFFAOYSA-N 1 1 493.721 4.783 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCO[C@@H]4C[C@@H](COc5ccccn5)C[C@@H]43)c2c1C ZINC001164879517 721314322 /nfs/dbraw/zinc/31/43/22/721314322.db2.gz NEIKDSLPLVDOEP-FDFHNCONSA-N 1 1 493.677 4.752 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)n1 ZINC001164776069 721326783 /nfs/dbraw/zinc/32/67/83/721326783.db2.gz CKTIZAAPWPEEEK-IBGZPJMESA-N 1 1 499.656 4.891 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4ccc(Cl)cc43)C2)C1 ZINC001164777455 721332069 /nfs/dbraw/zinc/33/20/69/721332069.db2.gz NRJRLZHREFSYEH-QHCPKHFHSA-N 1 1 476.408 4.660 20 0 JJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3ccnn3C[C@@H](COCc3csc(C)n3)C2)nc1 ZINC001164876312 721332545 /nfs/dbraw/zinc/33/25/45/721332545.db2.gz NYGKOXSREBHISU-OFVILXPXSA-N 1 1 480.682 4.833 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc4ccc(F)cc43)C2)C1 ZINC001164777858 721342652 /nfs/dbraw/zinc/34/26/52/721342652.db2.gz JJNYUURQFQDEGB-DEOSSOPVSA-N 1 1 458.965 4.751 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4cc(C)c(C)cc4nc3Cl)C2)C1 ZINC001164780240 721357467 /nfs/dbraw/zinc/35/74/67/721357467.db2.gz DOUAWCIUMYPHBU-VWLOTQADSA-N 1 1 470.017 4.624 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc4cc(C)c(C)cc4nc3Cl)C2)C1 ZINC001164780240 721357469 /nfs/dbraw/zinc/35/74/69/721357469.db2.gz DOUAWCIUMYPHBU-VWLOTQADSA-N 1 1 470.017 4.624 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4[C@H]3CC(=O)N4c3ccsc3)c2c1C ZINC001164885850 721357876 /nfs/dbraw/zinc/35/78/76/721357876.db2.gz ZVVOOLCJKKGQST-RTBURBONSA-N 1 1 467.664 4.740 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc4ccc(Cl)c(C)c4n3)C2)C1 ZINC001164782214 721361845 /nfs/dbraw/zinc/36/18/45/721361845.db2.gz LGXLHZCOJLZVNG-RUZDIDTESA-N 1 1 455.002 4.920 20 0 JJADMO CSc1cnc(Cl)c(C(F)(F)N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1 ZINC001164780807 721364091 /nfs/dbraw/zinc/36/40/91/721364091.db2.gz HSKHOCDEFVLKPV-NRFANRHFSA-N 1 1 487.016 4.726 20 0 JJADMO CSc1cnc(Cl)c(C(F)(F)N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1 ZINC001164780807 721364095 /nfs/dbraw/zinc/36/40/95/721364095.db2.gz HSKHOCDEFVLKPV-NRFANRHFSA-N 1 1 487.016 4.726 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C(C)(C)C)nc(C(C)(C)C)n3)C2)C1 ZINC001164786092 721364881 /nfs/dbraw/zinc/36/48/81/721364881.db2.gz WDFRHOSHNVKBJT-MHZLTWQESA-N 1 1 469.674 4.795 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3ccccc3)C2)C1 ZINC001164784585 721375069 /nfs/dbraw/zinc/37/50/69/721375069.db2.gz QMAXWEQCWIUWKR-RUZDIDTESA-N 1 1 484.000 4.646 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3ccccc3)C2)C1 ZINC001164784585 721375071 /nfs/dbraw/zinc/37/50/71/721375071.db2.gz QMAXWEQCWIUWKR-RUZDIDTESA-N 1 1 484.000 4.646 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4c(F)ccc(F)c34)C2)C1 ZINC001164783741 721375751 /nfs/dbraw/zinc/37/57/51/721375751.db2.gz OMLQAMCFPBPKJB-XMMPIXPASA-N 1 1 476.955 4.890 20 0 JJADMO COc1cc2c(cc(Cl)nc2N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)cc1F ZINC001164779716 721376630 /nfs/dbraw/zinc/37/66/30/721376630.db2.gz CHNKMWAPMBZXRR-RUZDIDTESA-N 1 1 488.991 4.760 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc5nc(Cl)cc(Cl)c5c4)C3)O2)CC1 ZINC001164887684 721405126 /nfs/dbraw/zinc/40/51/26/721405126.db2.gz MEYSSLWXWJUMNR-MBSDFSHPSA-N 1 1 499.433 4.852 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cnc(-c5ccccc5)c(-c5ccccc5)n4)C3)O2)CC1 ZINC001164890922 721408910 /nfs/dbraw/zinc/40/89/10/721408910.db2.gz UILZIDJKTXSIRE-VIZCGCQYSA-N 1 1 483.660 4.576 20 0 JJADMO Cc1nc2c(cc(-c3nc(N4C[C@@H]5C[NH+](Cc6nccs6)C[C@H]5C4)ncc3F)cc2F)n1C(C)C ZINC001164790975 721410685 /nfs/dbraw/zinc/41/06/85/721410685.db2.gz YRJPKMSFZBOLHE-ROUUACIJSA-N 1 1 495.603 4.686 20 0 JJADMO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164786511 721418437 /nfs/dbraw/zinc/41/84/37/721418437.db2.gz PBOCHMJJYNKDEP-IYBDPMFKSA-N 1 1 487.000 4.743 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc5cc(OCc6ccccc6)ccc5n4)C3)O2)CC1 ZINC001164887115 721419750 /nfs/dbraw/zinc/41/97/50/721419750.db2.gz LBJSKUGIMRQRFX-FIBWVYCGSA-N 1 1 486.660 4.579 20 0 JJADMO c1csc(C[NH+]2C[C@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCCC6)C[C@@H]3C2)n1 ZINC001164787253 721425078 /nfs/dbraw/zinc/42/50/78/721425078.db2.gz PSEJQSDACKOYKA-ROUUACIJSA-N 1 1 474.659 4.657 20 0 JJADMO c1csc(-c2nc3sc4c(c3c(N3C[C@H]5C[NH+](Cc6nccs6)C[C@@H]5C3)n2)CCC4)c1 ZINC001164790148 721426533 /nfs/dbraw/zinc/42/65/33/721426533.db2.gz XCFKFAKAVZFJCS-HUUCEWRRSA-N 1 1 465.673 4.933 20 0 JJADMO c1csc(-c2nc3sc4c(c3c(N3C[C@@H]5C[NH+](Cc6nccs6)C[C@H]5C3)n2)CCC4)c1 ZINC001164789777 721426557 /nfs/dbraw/zinc/42/65/57/721426557.db2.gz XCFKFAKAVZFJCS-GJZGRUSLSA-N 1 1 465.673 4.933 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(-c5ccccc5)c5ccccc5n4)C3)O2)CC1 ZINC001164899161 721432599 /nfs/dbraw/zinc/43/25/99/721432599.db2.gz YAAZWXULUYYXPW-FUFSCUOVSA-N 1 1 456.634 4.667 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncnc5scc(-c6ccc(Cl)cc6)c54)C3)O2)CC1 ZINC001164890755 721433146 /nfs/dbraw/zinc/43/31/46/721433146.db2.gz FANFCXODMYHYEZ-RLWLMLJZSA-N 1 1 498.096 4.777 20 0 JJADMO Cc1sc2nc(-c3cccs3)nc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2c1C ZINC001164898661 721434652 /nfs/dbraw/zinc/43/46/52/721434652.db2.gz WINMSNYVUOKIIF-FQRUVTKNSA-N 1 1 497.734 4.802 20 0 JJADMO Cc1nc(COC[C@@H]2CCC[C@]23CN(c2nc(Cl)ccc2C[NH+]2CCCC2)CCO3)cs1 ZINC001164788181 721444113 /nfs/dbraw/zinc/44/41/13/721444113.db2.gz ZGNLBOPJKURZFP-RDPSFJRHSA-N 1 1 477.074 4.688 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)c(Cl)c1)CC2 ZINC001164786592 721451310 /nfs/dbraw/zinc/45/13/10/721451310.db2.gz NBJVKADWEUKLEN-SFHVURJKSA-N 1 1 478.411 4.667 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1ccc3c(Cl)ncnc3c1)CC2 ZINC001164785931 721453469 /nfs/dbraw/zinc/45/34/69/721453469.db2.gz ITNSCIFHDIZMHA-FQEVSTJZSA-N 1 1 495.014 4.562 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(-c5cccs5)c4)C3)O2)CC1 ZINC001164889829 721453621 /nfs/dbraw/zinc/45/36/21/721453621.db2.gz PNVHNNDNDDFDCD-CVDCTZTESA-N 1 1 497.055 4.774 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)CC2 ZINC001164789310 721458530 /nfs/dbraw/zinc/45/85/30/721458530.db2.gz WUFHMLSXWUEGCI-HXUWFJFHSA-N 1 1 495.014 4.562 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)nnc1-c1ccccc1)CC2 ZINC001164786905 721459963 /nfs/dbraw/zinc/45/99/63/721459963.db2.gz QLYVWTCVAPHDAD-JOCHJYFZSA-N 1 1 471.045 4.531 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1ccc3cnc(Cl)nc3c1)CC2 ZINC001164784898 721462340 /nfs/dbraw/zinc/46/23/40/721462340.db2.gz KRLROCQDUBWIFQ-NRFANRHFSA-N 1 1 495.014 4.562 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3cc(Cl)c(Cl)cc31)CC2 ZINC001164783591 721463395 /nfs/dbraw/zinc/46/33/95/721463395.db2.gz DODSTLPZTIKUIL-SFHVURJKSA-N 1 1 479.452 4.671 20 0 JJADMO CC(C)C(=O)N1CC[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)CC[C@H]21 ZINC001164889036 721465299 /nfs/dbraw/zinc/46/52/99/721465299.db2.gz HDHQISCMURABGZ-TZIWHRDSSA-N 1 1 481.710 4.639 20 0 JJADMO CC(C)C(=O)N1CC[C@@H]2CN(c3nc(C[NH+](C)C)nc4scc(-c5ccccc5)c43)CC[C@@H]21 ZINC001164894668 721467325 /nfs/dbraw/zinc/46/73/25/721467325.db2.gz XGFLDTDZNFNKBF-CTNGQTDRSA-N 1 1 463.651 4.503 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cccc3c(Cl)ncnc31)CC2 ZINC001164790670 721467980 /nfs/dbraw/zinc/46/79/80/721467980.db2.gz UJVYTLHXOMQTNR-IBGZPJMESA-N 1 1 495.014 4.562 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(Cl)nc1-c1ccccc1)CC2 ZINC001164788836 721468669 /nfs/dbraw/zinc/46/86/69/721468669.db2.gz LQWSANBSSIBFLU-JOCHJYFZSA-N 1 1 471.045 4.531 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cnc(Cl)nc1Oc1ccccc1)CC2 ZINC001164791672 721471539 /nfs/dbraw/zinc/47/15/39/721471539.db2.gz XKVXIVCUTSHIFA-NRFANRHFSA-N 1 1 487.044 4.656 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)nc3c1CCC3)CC2 ZINC001164788841 721473845 /nfs/dbraw/zinc/47/38/45/721473845.db2.gz LSUYTTNIARBFCU-IBGZPJMESA-N 1 1 484.031 4.503 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cc3cccc(F)c31)CC2 ZINC001164791307 721473899 /nfs/dbraw/zinc/47/38/99/721473899.db2.gz WXBATJAAJYPSMZ-HXUWFJFHSA-N 1 1 462.009 4.761 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCCC[C@]23CC(=O)N(Cc2cccnc2)C3)n1 ZINC001164892358 721475698 /nfs/dbraw/zinc/47/56/98/721475698.db2.gz FQCUMCDDDSZNSU-HHHXNRCGSA-N 1 1 492.693 4.707 20 0 JJADMO CNC(=O)N[C@H]1CC2(CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)CC2)c2ccc(C)cc21 ZINC001164900391 721492116 /nfs/dbraw/zinc/49/21/16/721492116.db2.gz OVDPGPPLLREMCM-NDEPHWFRSA-N 1 1 495.671 4.860 20 0 JJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc3c1ncn3Cc1ccccc1)CC2 ZINC001164792274 721492714 /nfs/dbraw/zinc/49/27/14/721492714.db2.gz MQEXNLQUAGIGBM-UHFFFAOYSA-N 1 1 488.039 4.804 20 0 JJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3c1ccn3Cc1ccccc1)CC2 ZINC001164792949 721496797 /nfs/dbraw/zinc/49/67/97/721496797.db2.gz VXUGYDDDGPYFQY-UHFFFAOYSA-N 1 1 452.606 4.756 20 0 JJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)CC2 ZINC001164792281 721497221 /nfs/dbraw/zinc/49/72/21/721497221.db2.gz MWNMLWCOMQRHRZ-UHFFFAOYSA-N 1 1 457.018 4.966 20 0 JJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1nc(-c3ccc(Cl)nc3)no1)CC2 ZINC001164795496 721502273 /nfs/dbraw/zinc/50/22/73/721502273.db2.gz KKRLSUIAYPKURV-UHFFFAOYSA-N 1 1 474.943 4.606 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccc3)nc3ccccc32)[C@@H]2CCCO[C@H]12 ZINC001164809567 721546606 /nfs/dbraw/zinc/54/66/06/721546606.db2.gz VLHDCFCTQTWYRL-CYXNTTPDSA-N 1 1 451.574 4.560 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)[C@H]2CCCO[C@H]12 ZINC001164803176 721558406 /nfs/dbraw/zinc/55/84/06/721558406.db2.gz JQNAUHNWCXMKLH-ZCNNSNEGSA-N 1 1 494.373 4.745 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)[C@H]2CCCO[C@H]12 ZINC001164803176 721558408 /nfs/dbraw/zinc/55/84/08/721558408.db2.gz JQNAUHNWCXMKLH-ZCNNSNEGSA-N 1 1 494.373 4.745 20 0 JJADMO Cc1ccc(-c2nnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c3ccccc32)cc1 ZINC001164798624 721576003 /nfs/dbraw/zinc/57/60/03/721576003.db2.gz BPMJGOWCRDGYFI-PBWSGDRGSA-N 1 1 465.601 4.868 20 0 JJADMO Cc1ccc(-c2nnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c3ccccc32)cc1 ZINC001164798624 721576006 /nfs/dbraw/zinc/57/60/06/721576006.db2.gz BPMJGOWCRDGYFI-PBWSGDRGSA-N 1 1 465.601 4.868 20 0 JJADMO Cc1ccc(-c2nnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c3ccccc32)cc1 ZINC001164798619 721576139 /nfs/dbraw/zinc/57/61/39/721576139.db2.gz BPMJGOWCRDGYFI-FULLSBAXSA-N 1 1 465.601 4.868 20 0 JJADMO Cc1ccc(-c2nnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c3ccccc32)cc1 ZINC001164798619 721576141 /nfs/dbraw/zinc/57/61/41/721576141.db2.gz BPMJGOWCRDGYFI-FULLSBAXSA-N 1 1 465.601 4.868 20 0 JJADMO Cc1nc2sc3c(c2c(N2C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]42)n1)CCCCC3 ZINC001164809633 721578659 /nfs/dbraw/zinc/57/86/59/721578659.db2.gz UGLQPNVLWQLLBD-ZFGGDYGUSA-N 1 1 463.651 4.532 20 0 JJADMO Cc1nc2sc3c(c2c(N2C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]42)n1)CCCCC3 ZINC001164809633 721578663 /nfs/dbraw/zinc/57/86/63/721578663.db2.gz UGLQPNVLWQLLBD-ZFGGDYGUSA-N 1 1 463.651 4.532 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)[C@@H]2CCCO[C@@H]12 ZINC001164805625 721578983 /nfs/dbraw/zinc/57/89/83/721578983.db2.gz LGZOGKXAZKPJEO-TZBSWOFLSA-N 1 1 498.656 4.505 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)[C@@H]2CCCO[C@@H]12 ZINC001164805625 721578984 /nfs/dbraw/zinc/57/89/84/721578984.db2.gz LGZOGKXAZKPJEO-TZBSWOFLSA-N 1 1 498.656 4.505 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc(-c3ccc(Cl)nn3)c2)[C@@H]2CCCO[C@@H]12 ZINC001164799277 721584389 /nfs/dbraw/zinc/58/43/89/721584389.db2.gz AJASNGZFYZYVFH-CQOQZXRMSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc(-c3ccc(Cl)nn3)c2)[C@@H]2CCCO[C@@H]12 ZINC001164799277 721584391 /nfs/dbraw/zinc/58/43/91/721584391.db2.gz AJASNGZFYZYVFH-CQOQZXRMSA-N 1 1 485.966 4.605 20 0 JJADMO FC(F)(c1nc(Cl)c2ccccc2n1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908513 721585495 /nfs/dbraw/zinc/58/54/95/721585495.db2.gz ZRUMRBPHJUZODJ-NRFANRHFSA-N 1 1 479.909 4.961 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccc(Cl)s3)nc3c2CCC3)[C@@H]2CCCO[C@H]12 ZINC001164804134 721585760 /nfs/dbraw/zinc/58/57/60/721585760.db2.gz IXPVHWBNIXLIRU-VIZSFHNOSA-N 1 1 482.053 4.610 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)nc2C(F)(F)F)[C@H]2CCCO[C@@H]12 ZINC001164810960 721587812 /nfs/dbraw/zinc/58/78/12/721587812.db2.gz WTIYVUMVUGWAMY-LZLYRXPVSA-N 1 1 476.877 4.562 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)nc2C(F)(F)F)[C@H]2CCCO[C@@H]12 ZINC001164810960 721587813 /nfs/dbraw/zinc/58/78/13/721587813.db2.gz WTIYVUMVUGWAMY-LZLYRXPVSA-N 1 1 476.877 4.562 20 0 JJADMO Cc1ccc(-c2cc(C(F)(F)N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c(Cl)nn2)cc1 ZINC001164804108 721591750 /nfs/dbraw/zinc/59/17/50/721591750.db2.gz IPODWJIAGAFIIV-SGNDLWITSA-N 1 1 499.993 4.914 20 0 JJADMO Cc1ccc(-c2cc(C(F)(F)N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c(Cl)nn2)cc1 ZINC001164804108 721591753 /nfs/dbraw/zinc/59/17/53/721591753.db2.gz IPODWJIAGAFIIV-SGNDLWITSA-N 1 1 499.993 4.914 20 0 JJADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCn5cnc(COCC6CC6)c5C4)c23)C1 ZINC001164805004 721600121 /nfs/dbraw/zinc/60/01/21/721600121.db2.gz ZIVJZHQPVAJZHZ-GOSISDBHSA-N 1 1 492.693 4.555 20 0 JJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCOC[C@@H]3COc3cccnc3)CC2)nc1 ZINC001164802028 721604203 /nfs/dbraw/zinc/60/42/03/721604203.db2.gz RSNCQIKXUNOGKO-ILBGXUMGSA-N 1 1 450.627 4.726 20 0 JJADMO CCOC(=O)c1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc2ccccc21 ZINC001164904087 721702600 /nfs/dbraw/zinc/70/26/00/721702600.db2.gz CVPKOZCKXFSWOR-VWLOTQADSA-N 1 1 466.532 4.544 20 0 JJADMO C[C@H]1CCc2c(sc3ncnc(N4CCC(F)(F)[C@@]5(CC[N@@H+](Cc6ccccn6)C5)C4)c23)C1 ZINC001164905361 721703228 /nfs/dbraw/zinc/70/32/28/721703228.db2.gz ISUPSGDASOPVLH-BXKMTCNYSA-N 1 1 469.605 4.949 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@]4(CCCN4C(=O)C(C)C)C3)c2c1C ZINC001165007624 721726694 /nfs/dbraw/zinc/72/66/94/721726694.db2.gz FVPGPSSRPCIRNM-RUZDIDTESA-N 1 1 455.672 4.521 20 0 JJADMO CC(C)C(=O)N1CCC[C@]12CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CC[C@@H](C)C4)C2 ZINC001165008143 721726754 /nfs/dbraw/zinc/72/67/54/721726754.db2.gz JXTHELTVUMYBFX-XHCCPWGMSA-N 1 1 481.710 4.639 20 0 JJADMO FC(F)(c1cccc2c(Cl)ncnc21)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164910622 721727333 /nfs/dbraw/zinc/72/73/33/721727333.db2.gz GZWOLFFFQHSMIA-NRFANRHFSA-N 1 1 479.909 4.961 20 0 JJADMO FC1(F)CCN(c2cc(SCc3ccccc3)ncn2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164912691 721731583 /nfs/dbraw/zinc/73/15/83/721731583.db2.gz PLRIYWPNGVAWKB-XMMPIXPASA-N 1 1 467.589 4.902 20 0 JJADMO Fc1ccc2nc(C(F)F)nc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164913539 721732611 /nfs/dbraw/zinc/73/26/11/721732611.db2.gz WWUICJDMGAOQIB-QFIPXVFZSA-N 1 1 463.454 4.839 20 0 JJADMO CC(C)(C)OC(=O)c1cnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(Cl)c1 ZINC001164913066 721734347 /nfs/dbraw/zinc/73/43/47/721734347.db2.gz RWHKDKJLZABWSD-HSZRJFAPSA-N 1 1 478.971 4.823 20 0 JJADMO FC1(F)CCN(C(Cl)(Cl)Oc2ccc(Cl)nc2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164910871 721738488 /nfs/dbraw/zinc/73/84/88/721738488.db2.gz HYZTYUSHHWEDPA-SFHVURJKSA-N 1 1 477.770 4.831 20 0 JJADMO FC1(F)CCN(C(Cl)(Cl)Oc2ccc(Cl)nc2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164910871 721738490 /nfs/dbraw/zinc/73/84/90/721738490.db2.gz HYZTYUSHHWEDPA-SFHVURJKSA-N 1 1 477.770 4.831 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(Cl)nc(Cl)n1)C2 ZINC001164908889 721745296 /nfs/dbraw/zinc/74/52/96/721745296.db2.gz NQUMCKJGTFWXMN-UHFFFAOYSA-N 1 1 454.308 4.511 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(Cl)nc(Cl)n1)C2 ZINC001164908889 721745300 /nfs/dbraw/zinc/74/53/00/721745300.db2.gz NQUMCKJGTFWXMN-UHFFFAOYSA-N 1 1 454.308 4.511 20 0 JJADMO CSc1nc(Cl)cc(C(F)(F)N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164909986 721746051 /nfs/dbraw/zinc/74/60/51/721746051.db2.gz WPWHNZBGKFSWGP-UHFFFAOYSA-N 1 1 465.957 4.580 20 0 JJADMO CSc1nc(Cl)cc(C(F)(F)N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164909986 721746054 /nfs/dbraw/zinc/74/60/54/721746054.db2.gz WPWHNZBGKFSWGP-UHFFFAOYSA-N 1 1 465.957 4.580 20 0 JJADMO CCc1nc2sc3c(c2c(N2CCc4c(C[N@H+](C)Cc5ccco5)cncc4C2)n1)CCC3 ZINC001164911820 721760750 /nfs/dbraw/zinc/76/07/50/721760750.db2.gz SEOFKBZJGBDNNZ-UHFFFAOYSA-N 1 1 459.619 4.925 20 0 JJADMO CCc1nc2sc3c(c2c(N2CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C2)n1)CCC3 ZINC001164911820 721760751 /nfs/dbraw/zinc/76/07/51/721760751.db2.gz SEOFKBZJGBDNNZ-UHFFFAOYSA-N 1 1 459.619 4.925 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(C(=O)OCc3ccccc3)cn1)C2 ZINC001164909497 721763142 /nfs/dbraw/zinc/76/31/42/721763142.db2.gz BKGVLIBXCSULEL-UHFFFAOYSA-N 1 1 468.557 4.621 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(C(=O)OCc3ccccc3)cn1)C2 ZINC001164909497 721763146 /nfs/dbraw/zinc/76/31/46/721763146.db2.gz BKGVLIBXCSULEL-UHFFFAOYSA-N 1 1 468.557 4.621 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1nc(-c3ccc(Cl)nc3)no1)C2 ZINC001164910542 721763693 /nfs/dbraw/zinc/76/36/93/721763693.db2.gz HXMWEYHKBPZYSR-UHFFFAOYSA-N 1 1 486.910 4.513 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1nc(-c3ccc(Cl)nc3)no1)C2 ZINC001164910542 721763697 /nfs/dbraw/zinc/76/36/97/721763697.db2.gz HXMWEYHKBPZYSR-UHFFFAOYSA-N 1 1 486.910 4.513 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc(Cl)c4ccccc4n3)C[C@@H]21 ZINC001165019539 721801972 /nfs/dbraw/zinc/80/19/72/721801972.db2.gz CWPRSWNJBGATQC-NBHGPNQESA-N 1 1 457.956 4.960 20 0 JJADMO CSc1nc(Cl)cc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165028543 721802337 /nfs/dbraw/zinc/80/23/37/721802337.db2.gz ZEZRSMUSAIXEIN-USXIJHARSA-N 1 1 453.990 4.529 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccc4c(Cl)ncnc4c3)C[C@H]21 ZINC001165017810 721804405 /nfs/dbraw/zinc/80/44/05/721804405.db2.gz ATBCJQUXQBKMSV-BSLALVQMSA-N 1 1 457.956 4.960 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c(Cl)nc(Cl)nc43)C[C@@H]21 ZINC001165019566 721806057 /nfs/dbraw/zinc/80/60/57/721806057.db2.gz DCIGXMZHEWCPBX-VHDGCEQUSA-N 1 1 478.815 4.512 20 0 JJADMO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(n3)CCN(Cc3ccccc3)C4)C[C@@H]21 ZINC001165017866 721807536 /nfs/dbraw/zinc/80/75/36/721807536.db2.gz BALLOCZUKUQJGB-JPZGVGIDSA-N 1 1 467.661 4.772 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(n3)CCN(Cc3ccccc3)C4)C[C@@H]21 ZINC001165017866 721807537 /nfs/dbraw/zinc/80/75/37/721807537.db2.gz BALLOCZUKUQJGB-JPZGVGIDSA-N 1 1 467.661 4.772 20 0 JJADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165026858 721810651 /nfs/dbraw/zinc/81/06/51/721810651.db2.gz RTWJNIDWHMDGJN-WEYGHZABSA-N 1 1 480.012 4.592 20 0 JJADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165026859 721810734 /nfs/dbraw/zinc/81/07/34/721810734.db2.gz RTWJNIDWHMDGJN-XJABCFGWSA-N 1 1 480.012 4.592 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3ccn4Cc3cccc(F)c3)C[C@@H]21 ZINC001165022578 721814426 /nfs/dbraw/zinc/81/44/26/721814426.db2.gz FZCFNUBTIOAEFG-QGUKFAFCSA-N 1 1 470.596 4.751 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3ccn4Cc3ccccc3)C[C@@H]21 ZINC001165029384 721814971 /nfs/dbraw/zinc/81/49/71/721814971.db2.gz YUJJWTWWKWFPIW-ZSQFBXSQSA-N 1 1 452.606 4.612 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3ccn4Cc3ccc(F)cc3)C[C@H]21 ZINC001165029003 721815030 /nfs/dbraw/zinc/81/50/30/721815030.db2.gz YPHSXYUJYIJSLO-LPPUWEFUSA-N 1 1 470.596 4.751 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc4ccccc4nc3Cl)C[C@@H]21 ZINC001165022708 721817142 /nfs/dbraw/zinc/81/71/42/721817142.db2.gz GVRJTDGRGMYRQR-DJPFJPOOSA-N 1 1 457.956 4.960 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccncc4)n3)C[C@@H]21 ZINC001165030145 721822626 /nfs/dbraw/zinc/82/26/26/721822626.db2.gz YBECQEFYVHOVNL-SESVDKBCSA-N 1 1 484.982 4.869 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(-c4cccnc4)n3)C[C@@H]21 ZINC001165020675 721822632 /nfs/dbraw/zinc/82/26/32/721822632.db2.gz DDUZCDNBPWYKHU-HLAWJBBLSA-N 1 1 484.982 4.869 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(C(=O)OC(C)(C)C)cc3Cl)C[C@H]21 ZINC001165022249 721829639 /nfs/dbraw/zinc/82/96/39/721829639.db2.gz GVCCNCBUQPCALS-NQSCKRDGSA-N 1 1 457.018 4.822 20 0 JJADMO COc1ccc(Cc2c(C)nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nc2C)cc1 ZINC001165022339 721829648 /nfs/dbraw/zinc/82/96/48/721829648.db2.gz GXMRIUJCSRHGFF-RNCAPKPVSA-N 1 1 471.649 4.825 20 0 JJADMO CCOC(=O)C1(F)CCN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CC[C@H](C)C4)CC1 ZINC001165018003 721834819 /nfs/dbraw/zinc/83/48/19/721834819.db2.gz PFPZNCFZMYKOGA-KRWDZBQOSA-N 1 1 474.646 4.674 20 0 JJADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2ccc3ncnc(Cl)c3c2)CC1 ZINC001165020190 721839947 /nfs/dbraw/zinc/83/99/47/721839947.db2.gz FPKGNDHCXYBNEH-UHFFFAOYSA-N 1 1 476.955 4.946 20 0 JJADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001164933504 721878834 /nfs/dbraw/zinc/87/88/34/721878834.db2.gz MKMDVYMTMLRVHK-DNQXCXABSA-N 1 1 490.721 4.559 20 0 JJADMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001164933504 721878835 /nfs/dbraw/zinc/87/88/35/721878835.db2.gz MKMDVYMTMLRVHK-DNQXCXABSA-N 1 1 490.721 4.559 20 0 JJADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c21 ZINC001164930931 721879352 /nfs/dbraw/zinc/87/93/52/721879352.db2.gz DLCXIWCEPPKEJL-GOTSBHOMSA-N 1 1 470.646 4.635 20 0 JJADMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c21 ZINC001164930931 721879353 /nfs/dbraw/zinc/87/93/53/721879353.db2.gz DLCXIWCEPPKEJL-GOTSBHOMSA-N 1 1 470.646 4.635 20 0 JJADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nnc(-c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC001164934427 721884256 /nfs/dbraw/zinc/88/42/56/721884256.db2.gz RPEBISLUDVGJGW-VXKWHMMOSA-N 1 1 456.421 4.818 20 0 JJADMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nnc(-c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC001164934427 721884258 /nfs/dbraw/zinc/88/42/58/721884258.db2.gz RPEBISLUDVGJGW-VXKWHMMOSA-N 1 1 456.421 4.818 20 0 JJADMO c1ccc(C[N@H+]2CCc3nc(N4CC[C@]5(C4)COCc4cnc(-c6ccccc6)nc45)ccc3C2)cc1 ZINC001164928940 721898606 /nfs/dbraw/zinc/89/86/06/721898606.db2.gz SPKUMEANWTZKCD-HKBQPEDESA-N 1 1 489.623 4.775 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)nc5c(Cl)nc(Cl)nc54)CC3)C2)cc1 ZINC001164940545 721923936 /nfs/dbraw/zinc/92/39/36/721923936.db2.gz SZLPJBYZXLOFDN-UHFFFAOYSA-N 1 1 493.826 4.560 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)nc(Oc5cccc(F)c5)n4)CC3)C2)cc1 ZINC001164940206 721927975 /nfs/dbraw/zinc/92/79/75/721927975.db2.gz RVRJAXCCHPPTQW-UHFFFAOYSA-N 1 1 483.975 4.636 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)nc(Oc5ccc(F)cc5)n4)CC3)C2)cc1 ZINC001164938687 721928282 /nfs/dbraw/zinc/92/82/82/721928282.db2.gz DQJBJAVPCAUOFP-UHFFFAOYSA-N 1 1 483.975 4.636 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4cc(Cl)nc(-c5ccncc5)n4)CC3)C2)cc1 ZINC001164939124 721930377 /nfs/dbraw/zinc/93/03/77/721930377.db2.gz JFTJXDRFLWXAAO-UHFFFAOYSA-N 1 1 499.993 4.917 20 0 JJADMO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001165044156 721939786 /nfs/dbraw/zinc/93/97/86/721939786.db2.gz KUMIHDSQJMADIN-UHFFFAOYSA-N 1 1 458.727 4.943 20 0 JJADMO CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)C[C@H]12 ZINC001164942803 721967253 /nfs/dbraw/zinc/96/72/53/721967253.db2.gz CXZVEFOXURWOBH-NEKDWFFYSA-N 1 1 489.689 4.673 20 0 JJADMO CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)C[C@H]12 ZINC001164942800 721967353 /nfs/dbraw/zinc/96/73/53/721967353.db2.gz CXZVEFOXURWOBH-FIPFOOKPSA-N 1 1 489.689 4.673 20 0 JJADMO COC[C@@]12COC[C@H]1CN(c1nc(C[NH+]3CCC(C)CC3)nc3scc(-c4cccs4)c31)C2 ZINC001164948187 721995066 /nfs/dbraw/zinc/99/50/66/721995066.db2.gz FBHOZHDSGFNRNU-CJAUYULYSA-N 1 1 484.691 4.751 20 0 JJADMO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164955874 722021707 /nfs/dbraw/zinc/02/17/07/722021707.db2.gz QJDCKRDENAOHRJ-UHFFFAOYSA-N 1 1 453.949 4.949 20 0 JJADMO Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(c2ccc4c(n2)CC[N@H+](Cc2ccccc2)C4)C3)n1 ZINC001164959048 722026229 /nfs/dbraw/zinc/02/62/29/722026229.db2.gz HQFXISUUOSVPDQ-BVRKHOPBSA-N 1 1 498.671 4.936 20 0 JJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCCC[C@@]3(COCc3cccc(C)n3)C2)nc1 ZINC001164959020 722027404 /nfs/dbraw/zinc/02/74/04/722027404.db2.gz HMTSRXKHNWOICB-PBWSGDRGSA-N 1 1 464.654 4.924 20 0 JJADMO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164964561 722054465 /nfs/dbraw/zinc/05/44/65/722054465.db2.gz VMZQLYLGSXZJCO-UHFFFAOYSA-N 1 1 499.993 4.856 20 0 JJADMO FC(F)(c1cc2ccccc2nc1Cl)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963295 722057800 /nfs/dbraw/zinc/05/78/00/722057800.db2.gz VUSIOLHJEKHTLF-UHFFFAOYSA-N 1 1 472.967 4.947 20 0 JJADMO Clc1ccc(-c2nc3c(c(N4CCC5(CC4)COCC[N@@H+](Cc4ccncc4)C5)n2)CCC3)s1 ZINC001164961618 722060743 /nfs/dbraw/zinc/06/07/43/722060743.db2.gz MVRLQJVWUOTGRY-UHFFFAOYSA-N 1 1 496.080 4.861 20 0 JJADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCn3c(COCc4cncc(C)c4)cnc3[C@@H]2C)nc1 ZINC001164965026 722063322 /nfs/dbraw/zinc/06/33/22/722063322.db2.gz IDFHEYPJQSAJIF-OFVILXPXSA-N 1 1 460.626 4.826 20 0 JJADMO c1sc2nc(-c3cccnc3)nc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c2c1-c1ccccc1 ZINC001164967157 722075490 /nfs/dbraw/zinc/07/54/90/722075490.db2.gz LPWJCCKXVBUTPM-SZPZYZBQSA-N 1 1 469.614 4.720 20 0 JJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCc3onc(COc4ccccn4)c3C2)n1 ZINC001164968675 722083174 /nfs/dbraw/zinc/08/31/74/722083174.db2.gz GNCPPFGOXDGLNS-UHFFFAOYSA-N 1 1 498.612 4.945 20 0 JJADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@H]5CC(C(=O)NC6CCC6)C[C@@H]5C3)n2)CCC4)CC1 ZINC001164976760 722085497 /nfs/dbraw/zinc/08/54/97/722085497.db2.gz WMZTYPYQYSQUQL-WOJBJXKFSA-N 1 1 493.721 4.543 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC4(CC[C@@H](C(=O)NCC5CC5)C4)CC3)c2c1C ZINC001164974993 722091660 /nfs/dbraw/zinc/09/16/60/722091660.db2.gz PPPNIVJNKFPXJL-OAQYLSRUSA-N 1 1 481.710 4.817 20 0 JJADMO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984713 722106421 /nfs/dbraw/zinc/10/64/21/722106421.db2.gz UDGMJYSBFYJBHA-UZLBHIALSA-N 1 1 494.373 4.604 20 0 JJADMO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973352 722110087 /nfs/dbraw/zinc/11/00/87/722110087.db2.gz HDGWZCVVLMOHAI-OXJNMPFZSA-N 1 1 494.373 4.604 20 0 JJADMO FC(F)(c1ccc2ccc(Cl)nc2c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971027 722111580 /nfs/dbraw/zinc/11/15/80/722111580.db2.gz BBZIBHHGUCJEMW-UGKGYDQZSA-N 1 1 458.940 4.555 20 0 JJADMO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164977439 722111806 /nfs/dbraw/zinc/11/18/06/722111806.db2.gz NBOCDJWJWYICLB-UGKGYDQZSA-N 1 1 458.940 4.555 20 0 JJADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975170 722129521 /nfs/dbraw/zinc/12/95/21/722129521.db2.gz FGAAFGPKTTZEDL-DYESRHJHSA-N 1 1 473.404 4.673 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c3ccccc32)cc1 ZINC001164972603 722139034 /nfs/dbraw/zinc/13/90/34/722139034.db2.gz AEOWXQCTLXMBBC-SHQCIBLASA-N 1 1 465.601 4.728 20 0 JJADMO Fc1ccc(-c2nnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c3ccccc32)cc1F ZINC001164980268 722140884 /nfs/dbraw/zinc/14/08/84/722140884.db2.gz MJLXAUFQQAJQHH-HFZDXXHNSA-N 1 1 487.554 4.697 20 0 JJADMO Fc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164980266 722141478 /nfs/dbraw/zinc/14/14/78/722141478.db2.gz MITYTUGLKATBKA-GJZUVCINSA-N 1 1 469.564 4.558 20 0 JJADMO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976034 722143111 /nfs/dbraw/zinc/14/31/11/722143111.db2.gz GRIIOCHNLCRHOA-XLIONFOSSA-N 1 1 491.995 4.526 20 0 JJADMO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976035 722143347 /nfs/dbraw/zinc/14/33/47/722143347.db2.gz GRIIOCHNLCRHOA-YLJYHZDGSA-N 1 1 491.995 4.526 20 0 JJADMO Cc1ccc(-c2nc3ccccc3c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)s1 ZINC001164984257 722145418 /nfs/dbraw/zinc/14/54/18/722145418.db2.gz XATMAUYURSOCBL-XUZZJYLKSA-N 1 1 471.630 4.789 20 0 JJADMO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976031 722148675 /nfs/dbraw/zinc/14/86/75/722148675.db2.gz GLEVAGWYHYPRJR-UGKGYDQZSA-N 1 1 458.940 4.555 20 0 JJADMO Clc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164977143 722154428 /nfs/dbraw/zinc/15/44/28/722154428.db2.gz XOJLNBVONLENNE-AVRDEDQJSA-N 1 1 486.403 4.698 20 0 JJADMO Clc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164971671 722154931 /nfs/dbraw/zinc/15/49/31/722154931.db2.gz CXKCKCIYXQRMSN-AVRDEDQJSA-N 1 1 486.403 4.698 20 0 JJADMO Clc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164973851 722155650 /nfs/dbraw/zinc/15/56/50/722155650.db2.gz NCGMUYYYOGTGCF-PGRDOPGGSA-N 1 1 486.403 4.698 20 0 JJADMO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972113 722157998 /nfs/dbraw/zinc/15/79/98/722157998.db2.gz FRXVGZYVRVOGBR-AVRDEDQJSA-N 1 1 474.939 4.662 20 0 JJADMO O=C1CC2(CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC2)c2ccccc2N1CC1CC1 ZINC001164971750 722160726 /nfs/dbraw/zinc/16/07/26/722160726.db2.gz FICRISBDVWXWOB-UHFFFAOYSA-N 1 1 493.655 4.720 20 0 JJADMO O=C1CC2(CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC2)c2ccccc2N1CC1CC1 ZINC001164971750 722160727 /nfs/dbraw/zinc/16/07/27/722160727.db2.gz FICRISBDVWXWOB-UHFFFAOYSA-N 1 1 493.655 4.720 20 0 JJADMO CCOC(=O)c1sc2ncnc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c2c1C ZINC001164993843 722191021 /nfs/dbraw/zinc/19/10/21/722191021.db2.gz IDEKLTBNYOOENV-DEOSSOPVSA-N 1 1 454.571 4.560 20 0 JJADMO CCOC(=O)c1sc2ncnc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c2c1C ZINC001164993850 722191136 /nfs/dbraw/zinc/19/11/36/722191136.db2.gz IDEKLTBNYOOENV-XMMPIXPASA-N 1 1 454.571 4.560 20 0 JJADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nc(Cl)nc(Oc4cccc(F)c4)n2)C3)c1 ZINC001164993784 722204066 /nfs/dbraw/zinc/20/40/66/722204066.db2.gz BHQATISWSJQSAM-QHCPKHFHSA-N 1 1 457.912 4.840 20 0 JJADMO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995976 722205004 /nfs/dbraw/zinc/20/50/04/722205004.db2.gz QZFQXTIHYDYBJH-LKXQCNMVSA-N 1 1 494.611 4.636 20 0 JJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ccc(-c4ccc5c(c4)OCCCO5)nn2)C3)c1 ZINC001164996613 722210085 /nfs/dbraw/zinc/21/00/85/722210085.db2.gz UKQMJXQMNLRMJL-HHHXNRCGSA-N 1 1 460.553 4.689 20 0 JJADMO CC(C)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1Cc1cc(Br)cs1 ZINC001359712013 1064260315 /nfs/dbraw/zinc/26/03/15/1064260315.db2.gz BINHEEWEKIITPQ-UHFFFAOYSA-N 1 1 452.466 4.729 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC=C(C(C)(C)C)CC2)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001545858952 1064266954 /nfs/dbraw/zinc/26/69/54/1064266954.db2.gz AGGMZEKPZZTYSX-OAQYLSRUSA-N 1 1 492.712 4.826 20 0 JJADMO CC(C)c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CC[C@H](C)c1ccccc1 ZINC001359720788 1064267867 /nfs/dbraw/zinc/26/78/67/1064267867.db2.gz DSHOFJLGXMDIAW-KMDXXIMOSA-N 1 1 452.691 4.590 20 0 JJADMO CC(C)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001359720483 1064268021 /nfs/dbraw/zinc/26/80/21/1064268021.db2.gz UBFWIEPLJHOGAZ-UHFFFAOYSA-N 1 1 465.545 4.732 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001545862204 1064270201 /nfs/dbraw/zinc/27/02/01/1064270201.db2.gz CHFNKTSIZYNAML-NHCUHLMSSA-N 1 1 460.711 4.581 20 0 JJADMO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001545867042 1064276768 /nfs/dbraw/zinc/27/67/68/1064276768.db2.gz RUJWRRMVXHCGFM-UWJYYQICSA-N 1 1 459.403 4.938 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1C[C@@H]1CC[C@H](C)C1 ZINC001545870146 1064282760 /nfs/dbraw/zinc/28/27/60/1064282760.db2.gz HMNHKGKWNOKNAP-WPFOTENUSA-N 1 1 480.701 4.734 20 0 JJADMO CC(C)[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(C)C)C1)[NH+]1CCOCC1 ZINC001359731944 1064285696 /nfs/dbraw/zinc/28/56/96/1064285696.db2.gz VMKAHLRLBYQMQA-ISKFKSNPSA-N 1 1 474.093 4.752 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccccc3C)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545870856 1064286575 /nfs/dbraw/zinc/28/65/75/1064286575.db2.gz YDWRMYHGTNTHIE-AOHZBQACSA-N 1 1 494.728 4.867 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](Cc3ccccc3)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001545874149 1064289552 /nfs/dbraw/zinc/28/95/52/1064289552.db2.gz JUFYASUJXRVGMI-UPVQGACJSA-N 1 1 494.728 4.776 20 0 JJADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(-c2ccc(Cl)cc2)nn1C ZINC001545879872 1064295310 /nfs/dbraw/zinc/29/53/10/1064295310.db2.gz IPEGTOLUNSHYQC-NRFANRHFSA-N 1 1 452.986 4.573 20 0 JJADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)CCCc1ccc(Br)cc1 ZINC001545879927 1064295771 /nfs/dbraw/zinc/29/57/71/1064295771.db2.gz KASXMJCKOBOKGI-JOCHJYFZSA-N 1 1 459.428 4.991 20 0 JJADMO CC(C)[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C(C)C)C1)[NH+]1CCOCC1 ZINC001359738763 1064302896 /nfs/dbraw/zinc/30/28/96/1064302896.db2.gz CLKGPYWMPVGYKE-MSOLQXFVSA-N 1 1 496.519 4.608 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCc3cc(F)cc(C)c3C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001545886882 1064303806 /nfs/dbraw/zinc/30/38/06/1064303806.db2.gz OXQUYWPLXDEUNZ-HXUWFJFHSA-N 1 1 498.691 4.719 20 0 JJADMO CC(C)C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[NH+]2CCOCC2)CC1 ZINC001359739180 1064305941 /nfs/dbraw/zinc/30/59/41/1064305941.db2.gz NIBVTWNXHKYAKG-UHFFFAOYSA-N 1 1 466.457 4.847 20 0 JJADMO Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001434880361 1064312784 /nfs/dbraw/zinc/31/27/84/1064312784.db2.gz CBBSMMPXFUXMRL-SIKLNZKXSA-N 1 1 451.014 4.945 20 0 JJADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3NC(=O)OC(C)(C)C)C1 ZINC001434880337 1064313075 /nfs/dbraw/zinc/31/30/75/1064313075.db2.gz BBGZRJBPBFTGBJ-IQNSKSLUSA-N 1 1 455.643 4.658 20 0 JJADMO CC(C)[C@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001359745239 1064318628 /nfs/dbraw/zinc/31/86/28/1064318628.db2.gz DBBIUCNVBNRQFE-QHCPKHFHSA-N 1 1 496.744 4.663 20 0 JJADMO CC(C)[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+]2CC=CCC2)CCS1 ZINC001359746309 1064323617 /nfs/dbraw/zinc/32/36/17/1064323617.db2.gz DBGMHXUJZYMOKQ-FQEVSTJZSA-N 1 1 476.488 4.547 20 0 JJADMO CC(C)[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+]2CCCC(C)(C)C2)CCO1 ZINC001359746562 1064324148 /nfs/dbraw/zinc/32/41/48/1064324148.db2.gz IXVLIEKBRYZMSN-OAQYLSRUSA-N 1 1 477.600 4.530 20 0 JJADMO CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@H+]2CCC[C@@H]2CO)CCS1 ZINC001359747475 1064328112 /nfs/dbraw/zinc/32/81/12/1064328112.db2.gz CJMHSLGWGYUOCG-DENIHFKCSA-N 1 1 496.096 4.552 20 0 JJADMO CC(C)[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)[NH+]2CCOCC2)CCS1 ZINC001359748605 1064335730 /nfs/dbraw/zinc/33/57/30/1064335730.db2.gz ZYFKMAKKUQHQPI-OFNKIYASSA-N 1 1 471.715 4.541 20 0 JJADMO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NC(=O)c1sc(Cl)nc1C)CC2 ZINC001434913856 1064340436 /nfs/dbraw/zinc/34/04/36/1064340436.db2.gz SPWKYRSZAUAHSZ-UHFFFAOYSA-N 1 1 457.983 4.933 20 0 JJADMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1NC(=O)c1sc(Cl)nc1C)CC2 ZINC001434913856 1064340443 /nfs/dbraw/zinc/34/04/43/1064340443.db2.gz SPWKYRSZAUAHSZ-UHFFFAOYSA-N 1 1 457.983 4.933 20 0 JJADMO CC(C)[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC001359753914 1064343714 /nfs/dbraw/zinc/34/37/14/1064343714.db2.gz UOALOUVYHXIFLB-URXFXBBRSA-N 1 1 457.638 4.524 20 0 JJADMO CCOC(=O)Cn1ccc2cc(NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3CC(C)C)ccc21 ZINC001434923751 1064351946 /nfs/dbraw/zinc/35/19/46/1064351946.db2.gz HBQMIWYDOZFIAD-ILBGXUMGSA-N 1 1 461.606 4.937 20 0 JJADMO CC(C)[C@@H]1OCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001359761555 1064372465 /nfs/dbraw/zinc/37/24/65/1064372465.db2.gz IRZNOYLKWZATET-OZXSUGGESA-N 1 1 483.701 4.519 20 0 JJADMO CC(C)CC(=O)Nc1cccc(Cn2c(CC(C)C)nnc2N2CC[N@H+](C3CCC3)C[C@H](C)C2)c1 ZINC001359764769 1064385295 /nfs/dbraw/zinc/38/52/95/1064385295.db2.gz IXTWNLYQVHDXIL-QFIPXVFZSA-N 1 1 480.701 4.820 20 0 JJADMO CC(C)C[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2CCCC[C@H]2C1)[NH+](C)C ZINC001359766837 1064394512 /nfs/dbraw/zinc/39/45/12/1064394512.db2.gz VOKXXXPIIBWYBX-VQTJNVASSA-N 1 1 479.500 4.903 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001359775341 1064418124 /nfs/dbraw/zinc/41/81/24/1064418124.db2.gz NUPSQHSIGCFIBT-YGHBDQSPSA-N 1 1 459.704 4.532 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@H](CF)c2ccc(Br)cc2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001359776942 1064419832 /nfs/dbraw/zinc/41/98/32/1064419832.db2.gz WYMBVCQJMPBABS-FXAWDEMLSA-N 1 1 489.437 4.845 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1C[C@@H]1CSCCS1 ZINC001359777493 1064421430 /nfs/dbraw/zinc/42/14/30/1064421430.db2.gz LIVYECBNHCEBLR-MDNUFGMLSA-N 1 1 473.756 4.815 20 0 JJADMO CC(C)Cc1nnc(N(C)Cc2cc(Br)cs2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359779217 1064425329 /nfs/dbraw/zinc/42/53/29/1064425329.db2.gz GSAUVFOARIMVJX-CALCHBBNSA-N 1 1 498.535 4.825 20 0 JJADMO CC(C)Cc1nnc(N(C)C[C@@H]2CCCCO2)n1CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001359783443 1064435037 /nfs/dbraw/zinc/43/50/37/1064435037.db2.gz ZAOARQFJDITUIG-HVCNVCAESA-N 1 1 453.675 4.783 20 0 JJADMO CC(C)Cc1nnc(N2C[C@@H](c3ccsc3)O[C@@H](C)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359792117 1064449361 /nfs/dbraw/zinc/44/93/61/1064449361.db2.gz HRKWIRMKLQXEIJ-KGSLCBSSSA-N 1 1 459.704 4.873 20 0 JJADMO CC(C)Cc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001359796136 1064455353 /nfs/dbraw/zinc/45/53/53/1064455353.db2.gz VENIRYKPJBKXGK-IBGZPJMESA-N 1 1 481.563 4.645 20 0 JJADMO CC(C)Cc1nnc(N2CCC(Cn3cccn3)CC2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001359807646 1064478268 /nfs/dbraw/zinc/47/82/68/1064478268.db2.gz AJZJYPIMYIDRTR-HSZRJFAPSA-N 1 1 470.065 4.546 20 0 JJADMO CC(C)Cc1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1C[C@@](C)(O)c1cccs1 ZINC001359808875 1064481675 /nfs/dbraw/zinc/48/16/75/1064481675.db2.gz YVCGHSDQTZRVNT-QFQXNSOFSA-N 1 1 473.731 4.927 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001359811577 1064487652 /nfs/dbraw/zinc/48/76/52/1064487652.db2.gz RTUWWFSEAXIMCK-ZEQRLZLVSA-N 1 1 498.716 4.737 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001359811574 1064487718 /nfs/dbraw/zinc/48/77/18/1064487718.db2.gz RTUWWFSEAXIMCK-BJKOFHAPSA-N 1 1 498.716 4.737 20 0 JJADMO C[C@@H](CNC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)[N@@H+]1CCc2sccc2C1 ZINC001359813539 1064490314 /nfs/dbraw/zinc/49/03/14/1064490314.db2.gz XCUGPISOWJTGGL-KRWDZBQOSA-N 1 1 455.624 4.612 20 0 JJADMO C[C@@H](CNC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)[N@H+]1CCc2sccc2C1 ZINC001359813539 1064490321 /nfs/dbraw/zinc/49/03/21/1064490321.db2.gz XCUGPISOWJTGGL-KRWDZBQOSA-N 1 1 455.624 4.612 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001359814592 1064492932 /nfs/dbraw/zinc/49/29/32/1064492932.db2.gz KRQCBFYBQBYLGE-GHTZIAJQSA-N 1 1 491.080 4.536 20 0 JJADMO CC(C)Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001359815592 1064496203 /nfs/dbraw/zinc/49/62/03/1064496203.db2.gz PSOIIDRVOAKXMK-QFIPXVFZSA-N 1 1 483.701 4.530 20 0 JJADMO CC(C)Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001359815592 1064496213 /nfs/dbraw/zinc/49/62/13/1064496213.db2.gz PSOIIDRVOAKXMK-QFIPXVFZSA-N 1 1 483.701 4.530 20 0 JJADMO CC(C)Cc1nnc(N2CCC(OCC3CC3)CC2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001359818077 1064501361 /nfs/dbraw/zinc/50/13/61/1064501361.db2.gz RVPWXOJQPBDMLG-HSZRJFAPSA-N 1 1 460.066 4.828 20 0 JJADMO C[C@H](CNC(=O)COc1ccc2ccccc2c1Br)[N@H+]1CCc2ccccc2C1 ZINC001359828845 1064510800 /nfs/dbraw/zinc/51/08/00/1064510800.db2.gz NHPLIOHPJIQIAD-QGZVFWFLSA-N 1 1 453.380 4.544 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001359833306 1064518445 /nfs/dbraw/zinc/51/84/45/1064518445.db2.gz WBVKZTLUANLQPK-PMACEKPBSA-N 1 1 481.611 4.654 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359834321 1064520159 /nfs/dbraw/zinc/52/01/59/1064520159.db2.gz APTJHMRKUJPXTF-HSALFYBXSA-N 1 1 473.628 4.781 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001359834997 1064521818 /nfs/dbraw/zinc/52/18/18/1064521818.db2.gz PQRANFCRMSNMEX-WIOPSUGQSA-N 1 1 483.701 4.530 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001359834997 1064521831 /nfs/dbraw/zinc/52/18/31/1064521831.db2.gz PQRANFCRMSNMEX-WIOPSUGQSA-N 1 1 483.701 4.530 20 0 JJADMO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1nnc(Cc2ccccc2F)s1 ZINC001435115957 1064523490 /nfs/dbraw/zinc/52/34/90/1064523490.db2.gz KPXPDIJSNFWRGM-KRWDZBQOSA-N 1 1 454.571 4.774 20 0 JJADMO COc1cccc(CNC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1OC1CCCC1 ZINC001435116316 1064524062 /nfs/dbraw/zinc/52/40/62/1064524062.db2.gz PDSOFIJSQBAQIX-BGYRXZFFSA-N 1 1 452.595 4.556 20 0 JJADMO COc1cccc(CNC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1OC1CCCC1 ZINC001435116316 1064524071 /nfs/dbraw/zinc/52/40/71/1064524071.db2.gz PDSOFIJSQBAQIX-BGYRXZFFSA-N 1 1 452.595 4.556 20 0 JJADMO COc1cccc(CNC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1OC1CCCC1 ZINC001435116317 1064524351 /nfs/dbraw/zinc/52/43/51/1064524351.db2.gz PDSOFIJSQBAQIX-PMACEKPBSA-N 1 1 452.595 4.556 20 0 JJADMO CC(C)Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC(C)(C)c1ccc2c(c1)OCCO2 ZINC001359841161 1064527964 /nfs/dbraw/zinc/52/79/64/1064527964.db2.gz DVBZIBVMJIWEQR-UHFFFAOYSA-N 1 1 469.674 4.536 20 0 JJADMO CC(C)Cc1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1cccc(NC(=O)C2CCCC2)c1 ZINC001359841378 1064528055 /nfs/dbraw/zinc/52/80/55/1064528055.db2.gz MIEJFDRXNRLABI-UHFFFAOYSA-N 1 1 466.674 4.574 20 0 JJADMO CC(C)Cc1nnc(N2CCCN(Cc3ccc(F)cc3)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001359841678 1064529069 /nfs/dbraw/zinc/52/90/69/1064529069.db2.gz YABDUCWVCSPXII-LXFBAYGMSA-N 1 1 484.708 4.839 20 0 JJADMO CC(C)Cc1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1Cc1sccc1Br ZINC001359855130 1064542566 /nfs/dbraw/zinc/54/25/66/1064542566.db2.gz CPKQHEHCWGNYRI-INIZCTEOSA-N 1 1 466.493 4.660 20 0 JJADMO CC(C)Cc1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001359855456 1064543558 /nfs/dbraw/zinc/54/35/58/1064543558.db2.gz NXHRULNLFCDUNA-IBGZPJMESA-N 1 1 479.591 4.777 20 0 JJADMO CC(C)Cc1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1C[C@@H](c1cccnc1)C(C)C ZINC001359860525 1064549326 /nfs/dbraw/zinc/54/93/26/1064549326.db2.gz IQCQSAUGFTYTKA-RUZDIDTESA-N 1 1 464.633 4.773 20 0 JJADMO CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001359860279 1064549462 /nfs/dbraw/zinc/54/94/62/1064549462.db2.gz IFQIOGKUXQASPD-JOCHJYFZSA-N 1 1 476.669 4.808 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001359866813 1064558637 /nfs/dbraw/zinc/55/86/37/1064558637.db2.gz ZZRHNWAMOHJBHI-MZKRTTBSSA-N 1 1 491.627 4.776 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001359866815 1064559335 /nfs/dbraw/zinc/55/93/35/1064559335.db2.gz ZZRHNWAMOHJBHI-VIZSFHNOSA-N 1 1 491.627 4.776 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)cc3)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359868141 1064560271 /nfs/dbraw/zinc/56/02/71/1064560271.db2.gz IARZVPZQAZTPRC-IMSXRSKXSA-N 1 1 471.665 4.950 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@@H](c3ccco3)C2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001359869194 1064561601 /nfs/dbraw/zinc/56/16/01/1064561601.db2.gz UFYXMNDQZAURHE-ZJSXRUAMSA-N 1 1 451.615 4.558 20 0 JJADMO CC(C)C[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC[NH+]2CCOCC2)C1 ZINC001359882002 1064576033 /nfs/dbraw/zinc/57/60/33/1064576033.db2.gz UXMHLYLWHVOJHN-JOCHJYFZSA-N 1 1 453.675 4.837 20 0 JJADMO CN(C(=O)c1ccc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC001435188698 1064577747 /nfs/dbraw/zinc/57/77/47/1064577747.db2.gz NSRHEIXFXFXQKW-KRWDZBQOSA-N 1 1 453.892 4.777 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001435196752 1064585096 /nfs/dbraw/zinc/58/50/96/1064585096.db2.gz UKHMPCMSIPYWCG-ITLAICGJSA-N 1 1 477.649 4.592 20 0 JJADMO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001435207475 1064592506 /nfs/dbraw/zinc/59/25/06/1064592506.db2.gz QCPDCQQSFCYOLK-LJQANCHMSA-N 1 1 451.014 4.808 20 0 JJADMO CC(C)CC[C@@](C)(O)Cn1c(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nnc1C(C)(C)C ZINC001359900175 1064608478 /nfs/dbraw/zinc/60/84/78/1064608478.db2.gz OJHVHPVTZKVROE-YIXXDRMTSA-N 1 1 455.691 4.864 20 0 JJADMO CC(C)CCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001359902305 1064614069 /nfs/dbraw/zinc/61/40/69/1064614069.db2.gz MXKGNBNZQYDSFQ-QTEQDKRBSA-N 1 1 476.065 4.665 20 0 JJADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)[C@H](C)C1 ZINC001435249708 1064626547 /nfs/dbraw/zinc/62/65/47/1064626547.db2.gz XVTFTPCPHZPQSH-IERDGZPVSA-N 1 1 458.400 4.504 20 0 JJADMO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1OCc1csc(Br)c1 ZINC001435254108 1064631141 /nfs/dbraw/zinc/63/11/41/1064631141.db2.gz GXYOCCGMLHHZGS-MAUKXSAKSA-N 1 1 451.430 4.810 20 0 JJADMO C[C@@H](NC(=O)c1ccc2cc(Br)ccc2c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435254486 1064631618 /nfs/dbraw/zinc/63/16/18/1064631618.db2.gz NCURPHUBOQKTDG-HXOBKFHXSA-N 1 1 453.380 4.622 20 0 JJADMO C[C@@H](NC(=O)c1ccc2cc(Br)ccc2c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435254486 1064631630 /nfs/dbraw/zinc/63/16/30/1064631630.db2.gz NCURPHUBOQKTDG-HXOBKFHXSA-N 1 1 453.380 4.622 20 0 JJADMO CC(C)CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001359914270 1064633071 /nfs/dbraw/zinc/63/30/71/1064633071.db2.gz DXRKZVKMTZXCJT-MSOLQXFVSA-N 1 1 465.484 4.649 20 0 JJADMO CC(C)CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(C)(C)[NH+]1CCOCC1 ZINC001359914476 1064633971 /nfs/dbraw/zinc/63/39/71/1064633971.db2.gz IYBXAVKMBNHBTH-IBGZPJMESA-N 1 1 459.704 4.725 20 0 JJADMO C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)[C@H]1c1cccs1 ZINC001435260956 1064637721 /nfs/dbraw/zinc/63/77/21/1064637721.db2.gz LQUNHEKSWQXTSW-RDJZCZTQSA-N 1 1 450.486 4.630 20 0 JJADMO CCOC(=O)N1[C@H](C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC[C@H]1c1ccc(C)o1 ZINC001435262094 1064638261 /nfs/dbraw/zinc/63/82/61/1064638261.db2.gz ROOISJSBICWJBO-ZVVDCOBXSA-N 1 1 459.612 4.511 20 0 JJADMO CC(C)CCN(C)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001359918345 1064641027 /nfs/dbraw/zinc/64/10/27/1064641027.db2.gz FNTOAJHPAHSIPD-RPBOFIJWSA-N 1 1 453.675 4.957 20 0 JJADMO CC(C)CCN(C)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001359918342 1064641056 /nfs/dbraw/zinc/64/10/56/1064641056.db2.gz FNTOAJHPAHSIPD-DQEYMECFSA-N 1 1 453.675 4.957 20 0 JJADMO CC(C)CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001359918485 1064641625 /nfs/dbraw/zinc/64/16/25/1064641625.db2.gz IWWSXXSHUYGFSX-DHIUTWEWSA-N 1 1 490.737 4.995 20 0 JJADMO CC(C)CCN(C)c1nnc(Cc2c(F)cccc2F)n1CC[N@H+]1CCc2sccc2C1 ZINC001359920633 1064644923 /nfs/dbraw/zinc/64/49/23/1064644923.db2.gz CWFDHAYPKLLVLE-UHFFFAOYSA-N 1 1 459.610 4.749 20 0 JJADMO CC(C)CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001359921538 1064647629 /nfs/dbraw/zinc/64/76/29/1064647629.db2.gz LMNCBIQOUWXZFN-UHFFFAOYSA-N 1 1 479.138 4.732 20 0 JJADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1sc(NC(=O)c2ccco2)cc1C ZINC001435271703 1064650356 /nfs/dbraw/zinc/65/03/56/1064650356.db2.gz HMYJCKYYIDEQMR-FQEVSTJZSA-N 1 1 451.592 4.886 20 0 JJADMO CC(C)CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CCC[C@@H]1C)C1CC1 ZINC001359924672 1064655940 /nfs/dbraw/zinc/65/59/40/1064655940.db2.gz WGSKBCLLWUEBQT-NRFANRHFSA-N 1 1 488.721 4.892 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1cccc(COC2CCOCC2)c1 ZINC001359925245 1064656317 /nfs/dbraw/zinc/65/63/17/1064656317.db2.gz SMZGMXLEDBZETH-XNMGPUDCSA-N 1 1 450.623 4.547 20 0 JJADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(Br)ccc1OC(F)F ZINC001435304739 1064679427 /nfs/dbraw/zinc/67/94/27/1064679427.db2.gz OKFAYBWSLCUHGX-MRXNPFEDSA-N 1 1 453.327 4.645 20 0 JJADMO CC(C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001359943506 1064688179 /nfs/dbraw/zinc/68/81/79/1064688179.db2.gz BNFCJVFZDRPDHU-HSZRJFAPSA-N 1 1 482.456 4.511 20 0 JJADMO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c2cc(Br)ccc2n1 ZINC001435337023 1064708191 /nfs/dbraw/zinc/70/81/91/1064708191.db2.gz CAHHMKLEZNABIP-ZHRRBRCNSA-N 1 1 452.396 4.946 20 0 JJADMO COc1ccc(-c2nc(C)c(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)s2)c(F)c1 ZINC001435339268 1064709622 /nfs/dbraw/zinc/70/96/22/1064709622.db2.gz MFCSUICILNUBFV-KSFYIVLOSA-N 1 1 453.583 4.907 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H](C(C)C)C3)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001359952042 1064712988 /nfs/dbraw/zinc/71/29/88/1064712988.db2.gz LVCRNIBZZMUEKM-ZCYQVOJMSA-N 1 1 483.701 4.963 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001359952458 1064715861 /nfs/dbraw/zinc/71/58/61/1064715861.db2.gz WLPSQFJZRXLRAM-UNMCSNQZSA-N 1 1 491.627 4.572 20 0 JJADMO CC(C)CCOC1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001359954979 1064722721 /nfs/dbraw/zinc/72/27/21/1064722721.db2.gz SQSPJVKNWUGWBD-UHFFFAOYSA-N 1 1 490.092 4.741 20 0 JJADMO C[C@@H]1C[C@H](NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)CC[N@H+]1Cc1ccccc1 ZINC001435379294 1064730717 /nfs/dbraw/zinc/73/07/17/1064730717.db2.gz LHODLAYAFLXZDQ-NVXWUHKLSA-N 1 1 459.928 4.641 20 0 JJADMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC001435386914 1064734480 /nfs/dbraw/zinc/73/44/80/1064734480.db2.gz OGWNCNAVNWMXFJ-UWJYYQICSA-N 1 1 456.512 4.982 20 0 JJADMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC001435386912 1064734519 /nfs/dbraw/zinc/73/45/19/1064734519.db2.gz OGWNCNAVNWMXFJ-UTKZUKDTSA-N 1 1 456.512 4.982 20 0 JJADMO CC(C)CCOCCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001359967323 1064742905 /nfs/dbraw/zinc/74/29/05/1064742905.db2.gz PNDSTVITUPUJOA-UKILVPOCSA-N 1 1 469.674 4.683 20 0 JJADMO CC(C)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359976398 1064753280 /nfs/dbraw/zinc/75/32/80/1064753280.db2.gz PWSPKERDAWOBLD-ZRZAMGCNSA-N 1 1 463.674 4.981 20 0 JJADMO CC(C)CN(c1nnc(-c2cccc(Br)c2)n1C[C@H](C)[NH+]1CCOCC1)C1CCCC1 ZINC001359985135 1064763244 /nfs/dbraw/zinc/76/32/44/1064763244.db2.gz HIARLAVHYJYYFK-IBGZPJMESA-N 1 1 490.490 4.833 20 0 JJADMO CC[C@H](NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435456688 1064767901 /nfs/dbraw/zinc/76/79/01/1064767901.db2.gz QPNNJJKKERDQAI-WQTXXOFMSA-N 1 1 451.394 4.557 20 0 JJADMO CC[C@H](NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435456688 1064767912 /nfs/dbraw/zinc/76/79/12/1064767912.db2.gz QPNNJJKKERDQAI-WQTXXOFMSA-N 1 1 451.394 4.557 20 0 JJADMO CC(C)CN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001359989262 1064770571 /nfs/dbraw/zinc/77/05/71/1064770571.db2.gz HQRJFQFEANZDHJ-VXKWHMMOSA-N 1 1 499.704 4.723 20 0 JJADMO CC(C)CN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001359989260 1064770596 /nfs/dbraw/zinc/77/05/96/1064770596.db2.gz HQRJFQFEANZDHJ-FCHUYYIVSA-N 1 1 499.704 4.723 20 0 JJADMO O=C(CCCCc1nc2ccccc2s1)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001435465350 1064773160 /nfs/dbraw/zinc/77/31/60/1064773160.db2.gz OWKSCWPDKKBESP-UHFFFAOYSA-N 1 1 457.043 4.601 20 0 JJADMO CC(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359995195 1064779729 /nfs/dbraw/zinc/77/97/29/1064779729.db2.gz BKSUBYKOSYIMMN-IYBDPMFKSA-N 1 1 484.870 4.562 20 0 JJADMO CC(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359995195 1064779743 /nfs/dbraw/zinc/77/97/43/1064779743.db2.gz BKSUBYKOSYIMMN-IYBDPMFKSA-N 1 1 484.870 4.562 20 0 JJADMO CC(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001360001453 1064787510 /nfs/dbraw/zinc/78/75/10/1064787510.db2.gz OVQPTTCBHAWOIB-LADGPHEKSA-N 1 1 496.700 4.759 20 0 JJADMO CC(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001360001454 1064787634 /nfs/dbraw/zinc/78/76/34/1064787634.db2.gz OVQPTTCBHAWOIB-UPVQGACJSA-N 1 1 496.700 4.759 20 0 JJADMO CC(C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001360006942 1064793937 /nfs/dbraw/zinc/79/39/37/1064793937.db2.gz YUZNDDHUEKWRBD-ODAXIHTASA-N 1 1 488.721 4.796 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@H](C)c2ccccc2)C1 ZINC001360007381 1064794665 /nfs/dbraw/zinc/79/46/65/1064794665.db2.gz BWSVYVBUABOMMK-GOTSBHOMSA-N 1 1 489.668 4.533 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001360008426 1064797179 /nfs/dbraw/zinc/79/71/79/1064797179.db2.gz QWDWMXAUFJSNHW-LNRXMEIDSA-N 1 1 473.637 4.539 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cnn(C)c3)nnc2N(Cc2cccs2)C(C)C)C1 ZINC001360009996 1064800894 /nfs/dbraw/zinc/80/08/94/1064800894.db2.gz IQWNKWIECHPWMZ-FQEVSTJZSA-N 1 1 455.676 4.523 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C3CCCC3)nnc2N2CCC=C(Br)C2)C1 ZINC001360010728 1064804416 /nfs/dbraw/zinc/80/44/16/1064804416.db2.gz VGJWVMIYYBGEIS-GOSISDBHSA-N 1 1 450.469 4.793 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(C3CCC3)nnc2N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)C1 ZINC001360010738 1064804567 /nfs/dbraw/zinc/80/45/67/1064804567.db2.gz VHIBUDIPORAKAS-VXKWHMMOSA-N 1 1 488.721 4.607 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C3CCC3)nnc2N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)C1 ZINC001360010739 1064804725 /nfs/dbraw/zinc/80/47/25/1064804725.db2.gz VHIBUDIPORAKAS-YADHBBJMSA-N 1 1 488.721 4.607 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(COc3ccccc3F)nnc2N2CCC[C@H]2C(C)C)C1 ZINC001360011313 1064805166 /nfs/dbraw/zinc/80/51/66/1064805166.db2.gz BRPAXQZUIVEESC-GMAHTHKFSA-N 1 1 457.638 4.989 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC(C(F)(F)F)CC2)C1 ZINC001360010934 1064805360 /nfs/dbraw/zinc/80/53/60/1064805360.db2.gz YNAARUWKYLGYIG-QUCCMNQESA-N 1 1 457.585 4.666 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)C[C@@H]2CCOC2)C1 ZINC001360011718 1064806466 /nfs/dbraw/zinc/80/64/66/1064806466.db2.gz HHOXXQBYPMNVQS-RPWUZVMVSA-N 1 1 497.728 4.995 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(CCOc3ccccc3)nnc2N2CCC[C@H](C)CC2)C1 ZINC001360011909 1064807104 /nfs/dbraw/zinc/80/71/04/1064807104.db2.gz KBXCGNABLNBIIB-ZEQRLZLVSA-N 1 1 453.675 4.894 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(CCO)Cc2ccccc2)C1 ZINC001360012064 1064807258 /nfs/dbraw/zinc/80/72/58/1064807258.db2.gz LTFFSRYYBGOCFW-TWJOJJKGSA-N 1 1 497.728 4.564 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(Cc3ccsc3)nnc2N(C)Cc2cc(Cl)ccn2)C1 ZINC001360012232 1064808314 /nfs/dbraw/zinc/80/83/14/1064808314.db2.gz NJKNXNRRIFGEFN-HXUWFJFHSA-N 1 1 473.090 4.983 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)c2cccc(O)c2)C1 ZINC001360012332 1064808956 /nfs/dbraw/zinc/80/89/56/1064808956.db2.gz POQYGRYBRZZMHE-JTHBVZDNSA-N 1 1 462.642 4.535 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)c2cccc(O)c2)C1 ZINC001360012329 1064809107 /nfs/dbraw/zinc/80/91/07/1064809107.db2.gz POQYGRYBRZZMHE-FYYLOGMGSA-N 1 1 462.642 4.535 20 0 JJADMO O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)c1cccc(Br)c1 ZINC001435529584 1064810604 /nfs/dbraw/zinc/81/06/04/1064810604.db2.gz IYNHKYVFZOOZLZ-UHFFFAOYSA-N 1 1 452.190 4.606 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(N3CCC(C(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001360012899 1064810985 /nfs/dbraw/zinc/81/09/85/1064810985.db2.gz ZBYGHHOWDUIPCE-HOFKKMOUSA-N 1 1 475.722 4.559 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N2C[C@H](C)CC(C)(C)C2)C1 ZINC001360034697 1064839298 /nfs/dbraw/zinc/83/92/98/1064839298.db2.gz GXNDIZGTPWNKKF-KNQAVFIVSA-N 1 1 460.066 4.828 20 0 JJADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)CC2CCC2)C1 ZINC001360035181 1064839957 /nfs/dbraw/zinc/83/99/57/1064839957.db2.gz LALRMRBYYKEHDB-AUSIDOKSSA-N 1 1 476.065 4.665 20 0 JJADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3cccc(Br)c3)nnc2N(C)CC(C)(C)C)C1 ZINC001360035242 1064840089 /nfs/dbraw/zinc/84/00/89/1064840089.db2.gz LHIFVJRQEJRVEZ-HXUWFJFHSA-N 1 1 478.479 4.547 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2CC[C@@H](C)[C@H](C)C2)C1 ZINC001360035145 1064840226 /nfs/dbraw/zinc/84/02/26/1064840226.db2.gz KKWHFNDUTANDAS-KURKYZTESA-N 1 1 496.519 4.608 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cccc(Br)c3)nnc2N(C)CC(C)(C)C)C1 ZINC001360035241 1064840421 /nfs/dbraw/zinc/84/04/21/1064840421.db2.gz LHIFVJRQEJRVEZ-FQEVSTJZSA-N 1 1 478.479 4.547 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N(C)Cc2cccs2)C1 ZINC001360035721 1064841502 /nfs/dbraw/zinc/84/15/02/1064841502.db2.gz PWEDGSQAFSTSFQ-FQEVSTJZSA-N 1 1 460.047 4.653 20 0 JJADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccc(F)cc3Br)nnc2N2CCCC2(C)C)C1 ZINC001360036053 1064843259 /nfs/dbraw/zinc/84/32/59/1064843259.db2.gz RXPNCSQASUVMPQ-GOSISDBHSA-N 1 1 494.453 4.582 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N(C)CCc2cccs2)C1 ZINC001360036051 1064843469 /nfs/dbraw/zinc/84/34/69/1064843469.db2.gz RWIFAJCYNUTCNC-NRFANRHFSA-N 1 1 474.074 4.696 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N2C[C@@H](C)CC[C@@H]2C)C1 ZINC001360036047 1064843495 /nfs/dbraw/zinc/84/34/95/1064843495.db2.gz RVLLQSCIKASABB-CMOCDZPBSA-N 1 1 473.637 4.539 20 0 JJADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(C(F)(F)F)CC2)C1 ZINC001360036178 1064844034 /nfs/dbraw/zinc/84/40/34/1064844034.db2.gz UYCWXEUIXDJGPL-HXUWFJFHSA-N 1 1 485.982 4.734 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(N(C)CCCc3cc(-c4ccccc4)no3)nnc2C(C)(C)C)C1 ZINC001360038456 1064849377 /nfs/dbraw/zinc/84/93/77/1064849377.db2.gz GBOHGAFDTNPKHJ-DEOSSOPVSA-N 1 1 494.684 4.656 20 0 JJADMO C[C@H]1C[C@H](CCNC(=O)c2ccccc2CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC001435586363 1064851213 /nfs/dbraw/zinc/85/12/13/1064851213.db2.gz MIADKKYAVZNGTB-UNMCSNQZSA-N 1 1 451.611 4.742 20 0 JJADMO COc1ccc(CCC(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(Br)c1 ZINC001435587521 1064851319 /nfs/dbraw/zinc/85/13/19/1064851319.db2.gz RKRYDECDTPSILI-AZUAARDMSA-N 1 1 459.428 4.807 20 0 JJADMO C[C@@H]1C[C@H](CCNC(=O)c2cnnn2-c2cc(Cl)ccc2Cl)C[N@H+]1Cc1ccccc1 ZINC001435586398 1064851367 /nfs/dbraw/zinc/85/13/67/1064851367.db2.gz MVIVNHBRSZXUJJ-AEFFLSMTSA-N 1 1 458.393 4.605 20 0 JJADMO C[C@H]1C[C@@H](CCNC(=O)c2cnnn2-c2cc(Cl)ccc2Cl)C[N@H+]1Cc1ccccc1 ZINC001435586400 1064851466 /nfs/dbraw/zinc/85/14/66/1064851466.db2.gz MVIVNHBRSZXUJJ-FUHWJXTLSA-N 1 1 458.393 4.605 20 0 JJADMO C[C@H]1C[C@H](CCNC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)C[N@H+]1Cc1ccccc1 ZINC001435588021 1064852835 /nfs/dbraw/zinc/85/28/35/1064852835.db2.gz USPZEDPNWZRLKZ-RDJZCZTQSA-N 1 1 454.464 4.920 20 0 JJADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(Cc3ccsc3)nnc2N(C)[C@H](C)c2cccs2)C1 ZINC001360040906 1064857051 /nfs/dbraw/zinc/85/70/51/1064857051.db2.gz VFLYESMCHOJLLX-UYAOXDASSA-N 1 1 459.685 4.546 20 0 JJADMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC001435599826 1064864364 /nfs/dbraw/zinc/86/43/64/1064864364.db2.gz BZBOUFUZBIQEPO-SFHVURJKSA-N 1 1 459.377 4.963 20 0 JJADMO CC(C)CO[C@@H](C)c1noc(CN(C)c2nnc(C3CCCC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC001360048927 1064870031 /nfs/dbraw/zinc/87/00/31/1064870031.db2.gz KUWBFVHECNNVOJ-FPOVZHCZSA-N 1 1 487.693 4.809 20 0 JJADMO 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CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001360058601 1064895402 /nfs/dbraw/zinc/89/54/02/1064895402.db2.gz TWIWDRBWSVUEDX-HXUWFJFHSA-N 1 1 464.029 4.863 20 0 JJADMO CC(C)CO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001360061770 1064900956 /nfs/dbraw/zinc/90/09/56/1064900956.db2.gz BNYRORIMFJDPJL-LEWJYISDSA-N 1 1 475.628 4.663 20 0 JJADMO CC(C)CO[C@@H]1CCN(c2nnc(CC(C)C)n2C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC001360061702 1064901229 /nfs/dbraw/zinc/90/12/29/1064901229.db2.gz AKNBZHNQBWQLBB-PQNGQFLHSA-N 1 1 459.704 4.873 20 0 JJADMO CC(C)CO[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001360067532 1064912377 /nfs/dbraw/zinc/91/23/77/1064912377.db2.gz XIXOLSOEZVGOOB-NRFANRHFSA-N 1 1 476.090 4.737 20 0 JJADMO CC(C)(C)OC(=O)/C=C/c1cc(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)co1 ZINC001435661953 1064916066 /nfs/dbraw/zinc/91/60/66/1064916066.db2.gz KTZGYDXPDZCUAH-SFOYCPBASA-N 1 1 450.579 4.665 20 0 JJADMO CC(C)COCCCn1c(Cc2c(F)cccc2F)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001360072966 1064917991 /nfs/dbraw/zinc/91/79/91/1064917991.db2.gz DCHWAFDALHNDEI-FQEVSTJZSA-N 1 1 475.628 4.520 20 0 JJADMO CC(C)COCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001360074253 1064920548 /nfs/dbraw/zinc/92/05/48/1064920548.db2.gz LDUVDJGGYQLHCT-XMMPIXPASA-N 1 1 483.701 4.892 20 0 JJADMO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC001435670187 1064923533 /nfs/dbraw/zinc/92/35/33/1064923533.db2.gz YCHKZWMZICTLQA-QZTJIDSGSA-N 1 1 453.332 4.822 20 0 JJADMO CC(C)CSCCCn1c(-c2cccnc2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001360076172 1064924409 /nfs/dbraw/zinc/92/44/09/1064924409.db2.gz HRABXTKFXJXQRZ-UHFFFAOYSA-N 1 1 464.683 4.832 20 0 JJADMO CC(C)[N@H+](Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)cc1)C[C@H]1CCCCO1 ZINC001435675414 1064928041 /nfs/dbraw/zinc/92/80/41/1064928041.db2.gz VSQSUSANQBTIAQ-DNQXCXABSA-N 1 1 457.659 4.832 20 0 JJADMO CC(C)[N@H+](Cc1ccc(NC(=O)CCc2nc(-c3ccco3)no2)cc1)C[C@@H]1CCCCO1 ZINC001435676222 1064928587 /nfs/dbraw/zinc/92/85/87/1064928587.db2.gz ZPFJTOUKLVRHBB-NRFANRHFSA-N 1 1 452.555 4.680 20 0 JJADMO CC(C)CSCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001360077026 1064929139 /nfs/dbraw/zinc/92/91/39/1064929139.db2.gz XSTNMQYHUTZMFQ-SFHVURJKSA-N 1 1 484.497 4.552 20 0 JJADMO CC(C)CSCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001360077026 1064929152 /nfs/dbraw/zinc/92/91/52/1064929152.db2.gz XSTNMQYHUTZMFQ-SFHVURJKSA-N 1 1 484.497 4.552 20 0 JJADMO CC(C)CSCCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001360085553 1064947527 /nfs/dbraw/zinc/94/75/27/1064947527.db2.gz COWNOGLKYIRVQL-DHIUTWEWSA-N 1 1 457.688 4.620 20 0 JJADMO CC(C)CSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001360089035 1064955262 /nfs/dbraw/zinc/95/52/62/1064955262.db2.gz HHBKCUICEWFCCM-NRFANRHFSA-N 1 1 494.750 4.660 20 0 JJADMO C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)/C=C/c3cnc(C(C)(C)C)s3)cc2)C[C@H]1C ZINC001435723557 1064956356 /nfs/dbraw/zinc/95/63/56/1064956356.db2.gz JTYHUWZSTGTSGG-SWLLKCQXSA-N 1 1 455.668 4.779 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001360091840 1064959199 /nfs/dbraw/zinc/95/91/99/1064959199.db2.gz IHZLZYHDSDCKQI-JOCHJYFZSA-N 1 1 454.569 4.710 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(N2CCN(Cc3ccsc3)CC2)nnc1C(C)(C)C ZINC001360092395 1064960655 /nfs/dbraw/zinc/96/06/55/1064960655.db2.gz DNAAKSHPWBUYNP-UHFFFAOYSA-N 1 1 480.726 4.848 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001360092408 1064961217 /nfs/dbraw/zinc/96/12/17/1064961217.db2.gz DXGDERJTWIKZJW-VXKWHMMOSA-N 1 1 461.601 4.890 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cc4ccccc4o3)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001360092496 1064961405 /nfs/dbraw/zinc/96/14/05/1064961405.db2.gz HQDDFJWHSCFNBB-UHFFFAOYSA-N 1 1 496.656 4.773 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N(C)CCc1nccs1 ZINC001360092565 1064962397 /nfs/dbraw/zinc/96/23/97/1064962397.db2.gz KAVJMSHMQXUJNE-JOCHJYFZSA-N 1 1 468.671 4.544 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(Cc2ccccn2)nnc1N(C)C[C@H]1CC=CCC1 ZINC001360092842 1064964166 /nfs/dbraw/zinc/96/41/66/1064964166.db2.gz UYKVOCLOUUKESO-QHCPKHFHSA-N 1 1 458.654 4.945 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccccc2C(F)(F)F)CC1 ZINC001360095112 1064968385 /nfs/dbraw/zinc/96/83/85/1064968385.db2.gz XRSQGEIBVYDNGA-UHFFFAOYSA-N 1 1 460.548 4.897 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC001360095384 1064969339 /nfs/dbraw/zinc/96/93/39/1064969339.db2.gz HKKDVMXSPXMAJG-RSXGOPAZSA-N 1 1 482.717 4.662 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(COc3ccc(F)cc3)n2CC[C@H]2C[C@H](F)C2)CC1 ZINC001360095290 1064969450 /nfs/dbraw/zinc/96/94/50/1064969450.db2.gz DLFKQWGHAUVDCE-AQYVVDRMSA-N 1 1 461.601 4.691 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(CC3CCCC3)n2C[C@@](C)(O)c2ccsc2)CC1 ZINC001360095688 1064970566 /nfs/dbraw/zinc/97/05/66/1064970566.db2.gz ONSXHNXQKGSHMB-RUZDIDTESA-N 1 1 459.704 4.537 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC2CCOCC2)CC1 ZINC001360095872 1064970773 /nfs/dbraw/zinc/97/07/73/1064970773.db2.gz SHPWWHOWVLYIRF-UHFFFAOYSA-N 1 1 475.628 4.520 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(Cl)nc2)CC1 ZINC001360096010 1064971486 /nfs/dbraw/zinc/97/14/86/1064971486.db2.gz UVNDTFSKUXUOGO-UHFFFAOYSA-N 1 1 459.063 4.584 20 0 JJADMO Cc1cc(Br)c(CC(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC001435749992 1064973979 /nfs/dbraw/zinc/97/39/79/1064973979.db2.gz WPFBHIMJYSQTOG-BFUOFWGJSA-N 1 1 459.812 4.963 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1Cc1cccs1 ZINC001360097383 1064974052 /nfs/dbraw/zinc/97/40/52/1064974052.db2.gz FVAKNRWSSMSISB-LJQANCHMSA-N 1 1 459.063 4.997 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001360097449 1064974788 /nfs/dbraw/zinc/97/47/88/1064974788.db2.gz HYRAFCOVTMBTKY-LJQANCHMSA-N 1 1 491.080 4.680 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc[nH]2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC001360097925 1064976260 /nfs/dbraw/zinc/97/62/60/1064976260.db2.gz FJFFFZRJAGQGOC-ISKFKSNPSA-N 1 1 450.631 4.608 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001360097699 1064976561 /nfs/dbraw/zinc/97/65/61/1064976561.db2.gz QMONSAWKUPXBMV-INIZCTEOSA-N 1 1 454.446 4.986 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001360097966 1064977312 /nfs/dbraw/zinc/97/73/12/1064977312.db2.gz WNYRVWDUHUDHIS-XZOQPEGZSA-N 1 1 453.675 4.836 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)OCc1ccn(-c2c(F)cccc2F)n1 ZINC001435752588 1064977242 /nfs/dbraw/zinc/97/72/42/1064977242.db2.gz JKVLDCNIXZVQLP-IFMALSPDSA-N 1 1 453.533 4.988 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(C2CCCC2)nnc1N1C[C@@H](CC2CC2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360099716 1064978970 /nfs/dbraw/zinc/97/89/70/1064978970.db2.gz BCLCYVINHOPESF-DHIUTWEWSA-N 1 1 488.721 4.796 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccsc2)nnc1N1Cc2cccc(Br)c2C1 ZINC001360101002 1064980973 /nfs/dbraw/zinc/98/09/73/1064980973.db2.gz BKPSNTOEDKEWMN-UHFFFAOYSA-N 1 1 474.472 4.943 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccccn2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC001360101166 1064981109 /nfs/dbraw/zinc/98/11/09/1064981109.db2.gz HAJOEBGWKLSKFW-AREMUKBSSA-N 1 1 497.087 4.598 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 ZINC001360101360 1064981649 /nfs/dbraw/zinc/98/16/49/1064981649.db2.gz MGQULZIMIASRLW-UHFFFAOYSA-N 1 1 490.483 4.944 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(COc2ccc(F)cc2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001360103460 1064983296 /nfs/dbraw/zinc/98/32/96/1064983296.db2.gz MITSCMDVMGEGEI-UHFFFAOYSA-N 1 1 457.516 4.505 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(CC2CCCC2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC001360103521 1064983317 /nfs/dbraw/zinc/98/33/17/1064983317.db2.gz OJKACDMMXMBNNP-OAQYLSRUSA-N 1 1 488.671 4.903 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)c1ccccc1 ZINC001360103860 1064984272 /nfs/dbraw/zinc/98/42/72/1064984272.db2.gz AULZOSSJDLAJME-KRWDZBQOSA-N 1 1 459.436 4.584 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1ccc(Br)o1 ZINC001360104470 1064986061 /nfs/dbraw/zinc/98/60/61/1064986061.db2.gz SARIWCGMTZIQCN-UHFFFAOYSA-N 1 1 466.811 4.931 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1c1cccs1 ZINC001360104855 1064986611 /nfs/dbraw/zinc/98/66/11/1064986611.db2.gz YZWVRSSIYVWPCB-KRWDZBQOSA-N 1 1 477.476 4.789 20 0 JJADMO CC(=O)Nc1cc(C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc(C(F)(F)F)c1 ZINC001435774964 1064986568 /nfs/dbraw/zinc/98/65/68/1064986568.db2.gz MJYOFBNAQIFEFG-UHFFFAOYSA-N 1 1 459.512 4.792 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2cc3ccccc3o2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001360104777 1064986757 /nfs/dbraw/zinc/98/67/57/1064986757.db2.gz WWNWRKNNLDONQS-UHFFFAOYSA-N 1 1 496.656 4.867 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@H]1CC=CCC1 ZINC001360107031 1064988790 /nfs/dbraw/zinc/98/87/90/1064988790.db2.gz ZUPZGDOCSXBAKU-KRWDZBQOSA-N 1 1 464.427 4.979 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N(C)Cc1csc(Br)c1 ZINC001360109754 1064991733 /nfs/dbraw/zinc/99/17/33/1064991733.db2.gz DPESGABEOUQCHN-UHFFFAOYSA-N 1 1 480.451 4.809 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 ZINC001360112497 1064994219 /nfs/dbraw/zinc/99/42/19/1064994219.db2.gz GBYONBKJLMKMSU-RUZDIDTESA-N 1 1 483.701 4.890 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H]1[C@H]1CCCO1 ZINC001360113010 1064994644 /nfs/dbraw/zinc/99/46/44/1064994644.db2.gz QFECNOBHJOQSBH-PZJWPPBQSA-N 1 1 482.456 4.652 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC001360113011 1064994699 /nfs/dbraw/zinc/99/46/99/1064994699.db2.gz QFECNOBHJOQSBH-TZIWHRDSSA-N 1 1 482.456 4.652 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H]2OCCC[C@@H]2C1 ZINC001360113249 1064995048 /nfs/dbraw/zinc/99/50/48/1064995048.db2.gz UMDAYGDSCNKHLA-YLJYHZDGSA-N 1 1 482.456 4.509 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(CC2CCCC2)nnc1N1CCc2cc(Br)ccc2C1 ZINC001360113205 1064995084 /nfs/dbraw/zinc/99/50/84/1064995084.db2.gz RZGVRHFMSOCABM-UHFFFAOYSA-N 1 1 460.464 4.676 20 0 JJADMO CC(C)N(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC[N@@H+](C)C1CCCCC1 ZINC001360113687 1064995759 /nfs/dbraw/zinc/99/57/59/1064995759.db2.gz KTTMEUUPQNRRCQ-UHFFFAOYSA-N 1 1 493.631 4.744 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(c2ccnn2C)CC1 ZINC001360113922 1064996140 /nfs/dbraw/zinc/99/61/40/1064996140.db2.gz SQPJVIFMAVAJCS-UHFFFAOYSA-N 1 1 488.105 4.682 20 0 JJADMO Cc1ccc(NC(=O)c2cccc(CN(C)Cc3ccccc3)c2)cc1NC(=O)CC[NH+](C)C ZINC001435802339 1064999534 /nfs/dbraw/zinc/99/95/34/1064999534.db2.gz NRUCZFCTJWGIMO-UHFFFAOYSA-N 1 1 458.606 4.770 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(Br)c(C(F)(F)F)cc1F ZINC001435805702 1065001694 /nfs/dbraw/zinc/00/16/94/1065001694.db2.gz QVKKHYLNRUCMIT-KPZWWZAWSA-N 1 1 459.281 4.857 20 0 JJADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)c1 ZINC001435828691 1065012557 /nfs/dbraw/zinc/01/25/57/1065012557.db2.gz ZDEPMYQKCNKOQU-UHFFFAOYSA-N 1 1 455.558 4.610 20 0 JJADMO CC(C)N(Cc1cccs1)c1nnc(COc2ccccc2F)n1CC(C)(C)[NH+]1CCOCC1 ZINC001360124220 1065016675 /nfs/dbraw/zinc/01/66/75/1065016675.db2.gz XRPKFFIOJRYXFV-UHFFFAOYSA-N 1 1 487.645 4.584 20 0 JJADMO CC(C)[NH+](CCn1c(-c2ccc(Br)s2)nnc1N1CCN2CCCC[C@H]2C1)C(C)C ZINC001360128379 1065022509 /nfs/dbraw/zinc/02/25/09/1065022509.db2.gz HEFNZOXPLMNLBD-SFHVURJKSA-N 1 1 495.535 4.562 20 0 JJADMO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)c1 ZINC001360132879 1065027719 /nfs/dbraw/zinc/02/77/19/1065027719.db2.gz YKLXGWBKLHAMJC-ZEQRLZLVSA-N 1 1 457.659 4.939 20 0 JJADMO CC(C)[NH+](CCn1c(CC2CCCC2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1)C(C)C ZINC001360134026 1065030005 /nfs/dbraw/zinc/03/00/05/1065030005.db2.gz BZLIBXORRFBXCW-UHFFFAOYSA-N 1 1 484.708 4.981 20 0 JJADMO CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001435864719 1065031580 /nfs/dbraw/zinc/03/15/80/1065031580.db2.gz GMXDQGGJCQGAHW-CSGUBPAMSA-N 1 1 452.470 4.893 20 0 JJADMO CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001435864721 1065032556 /nfs/dbraw/zinc/03/25/56/1065032556.db2.gz GMXDQGGJCQGAHW-TWRVUUBYSA-N 1 1 452.470 4.893 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CCn2cccn2)C1 ZINC001360138289 1065033958 /nfs/dbraw/zinc/03/39/58/1065033958.db2.gz CUQJILLKQWWAOX-GOSISDBHSA-N 1 1 476.456 4.705 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3ccccc3Br)nnc2N(C)C[C@@H]2CCCOC2)C1 ZINC001360138295 1065034106 /nfs/dbraw/zinc/03/41/06/1065034106.db2.gz CWHJNTAXFKCGDX-UXHICEINSA-N 1 1 490.490 4.691 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N(C)C2CCCCC2)C1 ZINC001360138501 1065034188 /nfs/dbraw/zinc/03/41/88/1065034188.db2.gz HDYJEKUKRVLFEV-SFHVURJKSA-N 1 1 477.495 4.935 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3ccc(Br)s3)nnc2N(C)CC(F)(F)F)C1 ZINC001360138879 1065035533 /nfs/dbraw/zinc/03/55/33/1065035533.db2.gz LHAZENBIGUXENY-CYBMUJFWSA-N 1 1 480.398 4.888 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2ccccc2)C1 ZINC001360139340 1065036229 /nfs/dbraw/zinc/03/62/29/1065036229.db2.gz QJECCRUJMAMZGA-LJQANCHMSA-N 1 1 471.447 4.793 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3ccccc3F)nnc2N2CC=C(C(F)(F)F)CC2)C1 ZINC001360139856 1065036906 /nfs/dbraw/zinc/03/69/06/1065036906.db2.gz VNKAHNOAQZDHAW-QGZVFWFLSA-N 1 1 451.512 4.903 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3cccnc3)nnc2N2CCC(CC(F)(F)F)CC2)C1 ZINC001360140442 1065037482 /nfs/dbraw/zinc/03/74/82/1065037482.db2.gz DIELJSJXMGWBQJ-NRFANRHFSA-N 1 1 464.580 4.553 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@H](C)c2ccccc2)C1 ZINC001360140543 1065037681 /nfs/dbraw/zinc/03/76/81/1065037681.db2.gz GHARBGUMTYDFTH-NHCUHLMSSA-N 1 1 480.682 4.587 20 0 JJADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CSCCN2Cc2ccccc2)c1 ZINC001435875311 1065038127 /nfs/dbraw/zinc/03/81/27/1065038127.db2.gz GMAHBQAYNRTKJM-MHZLTWQESA-N 1 1 459.659 4.666 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(CCCc3ccccc3)nnc2N(C)Cc2ncc(Cl)n2C)C1 ZINC001360140607 1065038136 /nfs/dbraw/zinc/03/81/36/1065038136.db2.gz HKWXOHNVPPEESU-QFIPXVFZSA-N 1 1 484.092 4.597 20 0 JJADMO O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)c1ccc(Br)c(Cl)c1F ZINC001435875154 1065038223 /nfs/dbraw/zinc/03/82/23/1065038223.db2.gz DEXQWCXMXQWLNJ-AWEZNQCLSA-N 1 1 457.796 4.589 20 0 JJADMO O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)c1ccc(Br)c(Cl)c1F ZINC001435875154 1065038236 /nfs/dbraw/zinc/03/82/36/1065038236.db2.gz DEXQWCXMXQWLNJ-AWEZNQCLSA-N 1 1 457.796 4.589 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCSCC2)C1 ZINC001360140602 1065038438 /nfs/dbraw/zinc/03/84/38/1065038438.db2.gz HIMWGDJWXGJZQI-KRWDZBQOSA-N 1 1 484.497 4.838 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(Cc3ccsc3)nnc2N(C)Cc2ccc(F)cc2F)C1 ZINC001360140887 1065038728 /nfs/dbraw/zinc/03/87/28/1065038728.db2.gz KJSVTWVAKHFWCR-LJQANCHMSA-N 1 1 459.610 4.965 20 0 JJADMO O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)c1cc(F)c(Br)c(Cl)c1 ZINC001435876175 1065039155 /nfs/dbraw/zinc/03/91/55/1065039155.db2.gz QRRRQUPQBYBXLE-HNNXBMFYSA-N 1 1 457.796 4.589 20 0 JJADMO O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)c1cc(F)c(Br)c(Cl)c1 ZINC001435876175 1065039165 /nfs/dbraw/zinc/03/91/65/1065039165.db2.gz QRRRQUPQBYBXLE-HNNXBMFYSA-N 1 1 457.796 4.589 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCC(=O)NC(C)(C)C)CC1 ZINC001360143483 1065043753 /nfs/dbraw/zinc/04/37/53/1065043753.db2.gz HMYGPICMBRXMTQ-UHFFFAOYSA-N 1 1 486.730 4.501 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[S@](=O)C(C)(C)C)CC1 ZINC001360143340 1065043782 /nfs/dbraw/zinc/04/37/82/1065043782.db2.gz DXLSPIOFSNXUKW-XIFFEERXSA-N 1 1 473.731 4.710 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CC[C@@H]2CCCCO2)CC1 ZINC001360143582 1065044607 /nfs/dbraw/zinc/04/46/07/1065044607.db2.gz ITXGPDHORMDGDV-NRFANRHFSA-N 1 1 476.463 4.587 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(C(=O)N(C)C)CCCC2)CC1 ZINC001360144022 1065045041 /nfs/dbraw/zinc/04/50/41/1065045041.db2.gz RKICODHURJEUOH-UHFFFAOYSA-N 1 1 494.728 4.812 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOC2CCCCCC2)CC1 ZINC001360143924 1065045487 /nfs/dbraw/zinc/04/54/87/1065045487.db2.gz PSPOPSMNFNXMDC-UHFFFAOYSA-N 1 1 493.494 4.696 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCOC[C@H]2CCCO2)CC1 ZINC001360144205 1065045840 /nfs/dbraw/zinc/04/58/40/1065045840.db2.gz WUCFZXGHDHPCEO-HXUWFJFHSA-N 1 1 496.483 4.758 20 0 JJADMO O=C(/C=C(\c1ccc(Cl)cc1)C(F)(F)F)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001435888825 1065046189 /nfs/dbraw/zinc/04/61/89/1065046189.db2.gz FYMMTYSKGGMBJZ-DZSVRRGNSA-N 1 1 452.904 4.693 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCCCS2)CC1 ZINC001360144600 1065046621 /nfs/dbraw/zinc/04/66/21/1065046621.db2.gz PGOIROVEXSVPAQ-SFHVURJKSA-N 1 1 478.504 4.914 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccccn3)n2Cc2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC001360144704 1065046699 /nfs/dbraw/zinc/04/66/99/1065046699.db2.gz SSCLAFLXMXHRIN-UHFFFAOYSA-N 1 1 491.640 4.656 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](F)c2ccc(Br)cc2)CC1 ZINC001360145897 1065047783 /nfs/dbraw/zinc/04/77/83/1065047783.db2.gz AIUIGKRUDCIMMB-PZJWPPBQSA-N 1 1 494.453 4.566 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@H](F)c2ccc(Br)cc2)CC1 ZINC001360145896 1065047893 /nfs/dbraw/zinc/04/78/93/1065047893.db2.gz AIUIGKRUDCIMMB-FPOVZHCZSA-N 1 1 494.453 4.566 20 0 JJADMO CC(=O)c1ccc(Oc2ccc(C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)cc2)cc1 ZINC001435890762 1065048206 /nfs/dbraw/zinc/04/82/06/1065048206.db2.gz SFJBDWZVPPHHOC-HHHXNRCGSA-N 1 1 458.558 4.702 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CC=CCC2)CC1 ZINC001360146208 1065048189 /nfs/dbraw/zinc/04/81/89/1065048189.db2.gz GNJWSCQOIJAWPC-DHIUTWEWSA-N 1 1 486.705 4.669 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(CCCc3ccccc3)n2Cc2cccc(Br)n2)CC1 ZINC001360147120 1065049192 /nfs/dbraw/zinc/04/91/92/1065049192.db2.gz IWWFSMLGGBCEGR-UHFFFAOYSA-N 1 1 497.485 4.580 20 0 JJADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2sc3ccc(Br)cc3c2C)[C@H](C)C1 ZINC001360151124 1065054921 /nfs/dbraw/zinc/05/49/21/1065054921.db2.gz RXGGDJBFDXGFBY-RDTXWAMCSA-N 1 1 453.446 4.839 20 0 JJADMO CC(C)N1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC001360152437 1065055420 /nfs/dbraw/zinc/05/54/20/1065055420.db2.gz LEDXIMBRAWDANM-REWPJTCUSA-N 1 1 458.720 4.542 20 0 JJADMO CC(C)N1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC001360152437 1065055432 /nfs/dbraw/zinc/05/54/32/1065055432.db2.gz LEDXIMBRAWDANM-REWPJTCUSA-N 1 1 458.720 4.542 20 0 JJADMO CC(C)N1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC001360152436 1065055480 /nfs/dbraw/zinc/05/54/80/1065055480.db2.gz LEDXIMBRAWDANM-OFNKIYASSA-N 1 1 458.720 4.542 20 0 JJADMO CC(C)N1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC001360152436 1065055495 /nfs/dbraw/zinc/05/54/95/1065055495.db2.gz LEDXIMBRAWDANM-OFNKIYASSA-N 1 1 458.720 4.542 20 0 JJADMO CC(C)N1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC001360152435 1065055725 /nfs/dbraw/zinc/05/57/25/1065055725.db2.gz LEDXIMBRAWDANM-NZQKXSOJSA-N 1 1 458.720 4.542 20 0 JJADMO CC(C)N1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC001360152435 1065055736 /nfs/dbraw/zinc/05/57/36/1065055736.db2.gz LEDXIMBRAWDANM-NZQKXSOJSA-N 1 1 458.720 4.542 20 0 JJADMO CC(C)N1CC[NH+](C2CCN(c3nnc(CC(C)(C)C)n3CCc3ccccc3Cl)CC2)CC1 ZINC001360156103 1065058027 /nfs/dbraw/zinc/05/80/27/1065058027.db2.gz QEWWVHGBJAZEDB-UHFFFAOYSA-N 1 1 487.136 4.758 20 0 JJADMO CC(C)N1CC[NH+](C2CCN(c3nnc(CC(C)(C)C)n3CCc3ccc(Cl)s3)CC2)CC1 ZINC001360156080 1065058045 /nfs/dbraw/zinc/05/80/45/1065058045.db2.gz PLQCESJPVSFONF-UHFFFAOYSA-N 1 1 493.165 4.819 20 0 JJADMO COc1ccc(-c2cnc(CCC(=O)Nc3ccc(C[NH+](C)C)c(Br)c3)o2)cc1 ZINC001435923534 1065065951 /nfs/dbraw/zinc/06/59/51/1065065951.db2.gz BXCOABXPZWJUIY-UHFFFAOYSA-N 1 1 458.356 4.746 20 0 JJADMO C[NH+](C)Cc1ccc(NC(=O)c2cc(N3CCCC3=O)ccc2Cl)cc1Br ZINC001435927479 1065067696 /nfs/dbraw/zinc/06/76/96/1065067696.db2.gz YSPGQYZDCRPYNI-UHFFFAOYSA-N 1 1 450.764 4.543 20 0 JJADMO Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001435933519 1065070202 /nfs/dbraw/zinc/07/02/02/1065070202.db2.gz HTABHMAGILPZFM-DEOSSOPVSA-N 1 1 459.512 4.528 20 0 JJADMO CC(C)NC(=O)c1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1C1CC(C(C)(C)C)C1 ZINC001360199717 1065078068 /nfs/dbraw/zinc/07/80/68/1065078068.db2.gz JZLCGMDLVOCHMT-RDABAPPSSA-N 1 1 466.674 4.514 20 0 JJADMO CC1(C)C[N@H+](C2(CNC(=O)c3ccccc3OCc3ccc(F)cc3)CCCCC2)CCO1 ZINC001360213963 1065083386 /nfs/dbraw/zinc/08/33/86/1065083386.db2.gz OADBXLWLUOJGDG-UHFFFAOYSA-N 1 1 454.586 4.948 20 0 JJADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001360215253 1065083835 /nfs/dbraw/zinc/08/38/35/1065083835.db2.gz YCLNSOUHEYEITQ-HSZRJFAPSA-N 1 1 451.611 4.696 20 0 JJADMO CSc1cc(Br)ccc1C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC001360217718 1065085246 /nfs/dbraw/zinc/08/52/46/1065085246.db2.gz XAFBDPASPBJPDP-UHFFFAOYSA-N 1 1 455.462 4.715 20 0 JJADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCCc2ccc(OCC(F)(F)F)nc2)c1 ZINC001435986504 1065093947 /nfs/dbraw/zinc/09/39/47/1065093947.db2.gz HDZSLZAKSSZSCY-UHFFFAOYSA-N 1 1 457.496 4.627 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)C1CC1 ZINC001435989969 1065096177 /nfs/dbraw/zinc/09/61/77/1065096177.db2.gz IPINFADAXKGLHZ-WNMGUVTHSA-N 1 1 453.671 4.659 20 0 JJADMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccccc1OCc1cn2ccccc2n1 ZINC001435995438 1065098802 /nfs/dbraw/zinc/09/88/02/1065098802.db2.gz RNYDSNQVOUMXBR-VWLOTQADSA-N 1 1 456.590 4.800 20 0 JJADMO O=C(NCc1ccncc1OCC(F)(F)F)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001436045450 1065140765 /nfs/dbraw/zinc/14/07/65/1065140765.db2.gz VHPLPUKVQIWQID-WOJBJXKFSA-N 1 1 475.536 4.616 20 0 JJADMO C[C@H](NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1nc(C(F)(F)F)cs1 ZINC001436056784 1065149243 /nfs/dbraw/zinc/14/92/43/1065149243.db2.gz SSJVUGDFWVUBAJ-YVEFUNNKSA-N 1 1 451.436 4.794 20 0 JJADMO CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)c3ccccc3)n2CC[N@H+]2CCCC(C)(C)C2)CCOC1 ZINC001360320410 1065157128 /nfs/dbraw/zinc/15/71/28/1065157128.db2.gz XLDIIWSBWYEQPV-AMGIVPHBSA-N 1 1 469.674 4.638 20 0 JJADMO CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)c3ccccc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CCOC1 ZINC001360320743 1065157248 /nfs/dbraw/zinc/15/72/48/1065157248.db2.gz DXKSUYZKHYMDDB-IBGGVINMSA-N 1 1 483.701 4.679 20 0 JJADMO CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)c3ccccc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CCOC1 ZINC001360320742 1065157321 /nfs/dbraw/zinc/15/73/21/1065157321.db2.gz DXKSUYZKHYMDDB-FMGHJNRGSA-N 1 1 483.701 4.679 20 0 JJADMO CC(C)O[C@@]1(c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C2CC(C(C)(C)C)C2)CCOC1 ZINC001360338769 1065187592 /nfs/dbraw/zinc/18/75/92/1065187592.db2.gz KHPXMZZCJROGBJ-GMKWRKAISA-N 1 1 475.722 4.873 20 0 JJADMO Cc1ccc(-c2csc3ncnc(SCC(=O)NC[C@H]4[N@@H+](C)CCCC4(C)C)c23)cc1 ZINC001436155039 1065218705 /nfs/dbraw/zinc/21/87/05/1065218705.db2.gz BEQYYZNCIIALRG-LJQANCHMSA-N 1 1 454.665 4.995 20 0 JJADMO CC(C)OC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC001360364033 1065220423 /nfs/dbraw/zinc/22/04/23/1065220423.db2.gz FIBYZXMSGRBACF-VWLOTQADSA-N 1 1 469.674 4.802 20 0 JJADMO CC(C)OC1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001360364226 1065221027 /nfs/dbraw/zinc/22/10/27/1065221027.db2.gz LRUDIUDPPHZKOY-UHFFFAOYSA-N 1 1 496.469 4.971 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cc(Br)c(C(F)(F)F)cc1F ZINC001360375222 1065233400 /nfs/dbraw/zinc/23/34/00/1065233400.db2.gz FHVWJZURYLZXPG-CYBMUJFWSA-N 1 1 459.281 4.954 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc(Br)c(C(F)(F)F)cc1F ZINC001360375222 1065233414 /nfs/dbraw/zinc/23/34/14/1065233414.db2.gz FHVWJZURYLZXPG-CYBMUJFWSA-N 1 1 459.281 4.954 20 0 JJADMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cccnc1Oc1ccc(Br)cc1 ZINC001436194668 1065243036 /nfs/dbraw/zinc/24/30/36/1065243036.db2.gz GHPDDSDNPPCGQZ-UHFFFAOYSA-N 1 1 458.356 4.824 20 0 JJADMO CCC[N@@H+](C)[C@H](CNC(=O)COc1ccc(Br)cc1F)c1ccc(Cl)cc1 ZINC001436198247 1065245755 /nfs/dbraw/zinc/24/57/55/1065245755.db2.gz VZKCSKQZUNKLNM-GOSISDBHSA-N 1 1 457.771 4.820 20 0 JJADMO CC(C)OCCCn1c(-c2cccn2C)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001360386758 1065251054 /nfs/dbraw/zinc/25/10/54/1065251054.db2.gz NUXWKAWODZFKNO-VWNXMTODSA-N 1 1 464.658 4.588 20 0 JJADMO CC(C)OCCCn1c(Cc2ccsc2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001360393712 1065257082 /nfs/dbraw/zinc/25/70/82/1065257082.db2.gz VYFCZKQWASQVIP-IBGZPJMESA-N 1 1 459.685 4.690 20 0 JJADMO C[N@H+](CCC(F)(F)F)[C@H](CNC(=O)c1cccnc1N1CCCC1)c1ccc(Cl)cc1 ZINC001436228369 1065266953 /nfs/dbraw/zinc/26/69/53/1065266953.db2.gz OYACWROMKYKTSG-LJQANCHMSA-N 1 1 454.924 4.691 20 0 JJADMO C[N@@H+](CCC(F)(F)F)[C@H](CNC(=O)c1cccnc1N1CCCC1)c1ccc(Cl)cc1 ZINC001436228369 1065266970 /nfs/dbraw/zinc/26/69/70/1065266970.db2.gz OYACWROMKYKTSG-LJQANCHMSA-N 1 1 454.924 4.691 20 0 JJADMO CC(C)OCC[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccccc2)C2CC2)CC1 ZINC001360410022 1065273776 /nfs/dbraw/zinc/27/37/76/1065273776.db2.gz AXGJABMOWXSPCQ-XMMPIXPASA-N 1 1 453.675 4.608 20 0 JJADMO CC(C)OCC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCCC2(C)C)CC1 ZINC001360409939 1065274108 /nfs/dbraw/zinc/27/41/08/1065274108.db2.gz YPJLUDWRQZBKMY-FGZHOGPDSA-N 1 1 487.664 4.931 20 0 JJADMO CC(C)OCC[NH+]1CCN(c2nnc(C3CCCC3)n2Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001360410334 1065274593 /nfs/dbraw/zinc/27/45/93/1065274593.db2.gz KQYKQAXOWBXAIG-UHFFFAOYSA-N 1 1 465.564 4.550 20 0 JJADMO CC(C)OCC[NH+]1CCN(c2nnc(CCCc3ccccc3)n2C2CC(C(C)(C)C)C2)CC1 ZINC001360413313 1065275840 /nfs/dbraw/zinc/27/58/40/1065275840.db2.gz UDBSFBUTFVXRRF-UHFFFAOYSA-N 1 1 467.702 4.998 20 0 JJADMO C[C@@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cc(F)c(F)cc1Cl ZINC001436259118 1065277906 /nfs/dbraw/zinc/27/79/06/1065277906.db2.gz PNHGTKNPUPSSDC-LLVKDONJSA-N 1 1 458.734 4.773 20 0 JJADMO CC(C)SCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001360416610 1065279213 /nfs/dbraw/zinc/27/92/13/1065279213.db2.gz FMHHWUCJTTYPIY-UHFFFAOYSA-N 1 1 489.064 4.987 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C)CC2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001545896540 1065281259 /nfs/dbraw/zinc/28/12/59/1065281259.db2.gz VBGBEDXFUUMMSW-REWPJTCUSA-N 1 1 458.695 4.620 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)c1ccc(O[C@H]2CCOC2)cc1 ZINC001436429380 1065317257 /nfs/dbraw/zinc/31/72/57/1065317257.db2.gz DUJLRBDFJVTTKE-VPUSJEBWSA-N 1 1 450.623 4.660 20 0 JJADMO O=C(c1ccoc1Br)N(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001436443562 1065320339 /nfs/dbraw/zinc/32/03/39/1065320339.db2.gz AGCGVJDMUXZIQF-FQEVSTJZSA-N 1 1 454.368 4.744 20 0 JJADMO C[C@@H](c1ccccc1F)N(C)c1nnc(C(C)(C)C)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001360452717 1065347355 /nfs/dbraw/zinc/34/73/55/1065347355.db2.gz QQCVJBRYMYOAFF-NRFANRHFSA-N 1 1 479.648 4.519 20 0 JJADMO C[C@H](c1ccccc1F)N(C)c1nnc(CC(C)(C)C)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001360453337 1065347846 /nfs/dbraw/zinc/34/78/46/1065347846.db2.gz ZLOVSHODGJYLPD-JOCHJYFZSA-N 1 1 493.675 4.811 20 0 JJADMO C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc(Br)s2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001360454834 1065353533 /nfs/dbraw/zinc/35/35/33/1065353533.db2.gz STGCYMDHROLIBG-HNNXBMFYSA-N 1 1 494.459 4.670 20 0 JJADMO C[C@@H]1C[C@H](N(C)C(=O)c2ccc3cncc(Br)c3n2)CC[N@H+]1Cc1ccccc1 ZINC001360459159 1065360347 /nfs/dbraw/zinc/36/03/47/1065360347.db2.gz FZUDOOYYVLMNHF-VQIMIIECSA-N 1 1 453.384 4.517 20 0 JJADMO COc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(OCCOC(C)C)c1 ZINC001360459149 1065360555 /nfs/dbraw/zinc/36/05/55/1065360555.db2.gz FWLHATJJYLASIW-GMAHTHKFSA-N 1 1 454.611 4.624 20 0 JJADMO C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2CNC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001360459954 1065361937 /nfs/dbraw/zinc/36/19/37/1065361937.db2.gz NNPUUGRUJFNVEA-OFNKIYASSA-N 1 1 451.611 4.836 20 0 JJADMO C[C@H](c1cccs1)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC[N@@H+]1CCOCC1(C)C ZINC001360460788 1065363980 /nfs/dbraw/zinc/36/39/80/1065363980.db2.gz HJKUMGCZHHRHNA-QGZVFWFLSA-N 1 1 491.608 4.916 20 0 JJADMO C[C@H](c1cccs1)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC[N@H+]1CCOCC1(C)C ZINC001360460788 1065363988 /nfs/dbraw/zinc/36/39/88/1065363988.db2.gz HJKUMGCZHHRHNA-QGZVFWFLSA-N 1 1 491.608 4.916 20 0 JJADMO C[C@@H](c1cccs1)N(C)c1nnc(COc2ccc(Cl)cc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001360465855 1065375394 /nfs/dbraw/zinc/37/53/94/1065375394.db2.gz BZQJQLCDYPJPOW-SFHVURJKSA-N 1 1 490.073 4.880 20 0 JJADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(Cc3cccnc3)n2CCSCC(F)(F)F)CC1 ZINC001360467165 1065381035 /nfs/dbraw/zinc/38/10/35/1065381035.db2.gz LOSMRQJWHNYINR-QGZVFWFLSA-N 1 1 496.628 4.504 20 0 JJADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC(C)(C)O)CC1 ZINC001360467256 1065381073 /nfs/dbraw/zinc/38/10/73/1065381073.db2.gz UBBNOHRNUNVZFJ-MRXNPFEDSA-N 1 1 478.037 4.843 20 0 JJADMO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC001360470592 1065389035 /nfs/dbraw/zinc/38/90/35/1065389035.db2.gz WYOXJQVJGXFYST-IBGZPJMESA-N 1 1 453.384 4.712 20 0 JJADMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC001436597105 1065390829 /nfs/dbraw/zinc/39/08/29/1065390829.db2.gz DCZKTIACZRDQRI-GOSISDBHSA-N 1 1 458.484 4.788 20 0 JJADMO CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)c1 ZINC001360480260 1065399232 /nfs/dbraw/zinc/39/92/32/1065399232.db2.gz SQQZHHYOWQKMDA-SCZOVYFASA-N 1 1 475.658 4.983 20 0 JJADMO C[C@@H]1CN(C(=O)c2cc(Br)c(C(F)(F)F)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC001436726410 1065430417 /nfs/dbraw/zinc/43/04/17/1065430417.db2.gz NHORWDIYBMDVGV-CYBMUJFWSA-N 1 1 459.281 4.954 20 0 JJADMO C[C@@H]1CN(C(=O)c2cc(Br)c(C(F)(F)F)cc2F)CC[N@H+]1Cc1ccccc1 ZINC001436726410 1065430424 /nfs/dbraw/zinc/43/04/24/1065430424.db2.gz NHORWDIYBMDVGV-CYBMUJFWSA-N 1 1 459.281 4.954 20 0 JJADMO C[C@@H](CCn1c(-c2cccn2C)nnc1N1CCSC(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360504881 1065438171 /nfs/dbraw/zinc/43/81/71/1065438171.db2.gz DGLMBMNITQPXJQ-FQEVSTJZSA-N 1 1 452.672 4.526 20 0 JJADMO C[C@@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360504962 1065438212 /nfs/dbraw/zinc/43/82/12/1065438212.db2.gz FSGSBBVVVSGSKA-JTHBVZDNSA-N 1 1 489.668 4.708 20 0 JJADMO C[C@H](CCn1c(-c2ccccn2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360505172 1065438992 /nfs/dbraw/zinc/43/89/92/1065438992.db2.gz JDJMCJCUTOBQMO-QHAWAJNXSA-N 1 1 468.596 4.978 20 0 JJADMO C[C@@H](CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360508584 1065447250 /nfs/dbraw/zinc/44/72/50/1065447250.db2.gz FORDHJPDCGTFMV-GMAHTHKFSA-N 1 1 464.658 4.968 20 0 JJADMO Cc1ccc(Br)c(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)c1 ZINC001436825338 1065448465 /nfs/dbraw/zinc/44/84/65/1065448465.db2.gz WUJJQURDRNZJBR-XZOQPEGZSA-N 1 1 464.407 4.685 20 0 JJADMO C[C@H](CCn1c(C2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360509419 1065449623 /nfs/dbraw/zinc/44/96/23/1065449623.db2.gz RQNNSLBPIHYQJP-ZJSXRUAMSA-N 1 1 496.700 4.950 20 0 JJADMO C[C@@H](CCn1c(C2CC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360509671 1065450732 /nfs/dbraw/zinc/45/07/32/1065450732.db2.gz WNJSITUJEVJWFM-NZQKXSOJSA-N 1 1 482.673 4.560 20 0 JJADMO COc1ccc(-c2cc(C(=O)NC[C@@H](C)[N@@H+](C)Cc3ccccc3)nn2-c2ccccc2)cc1 ZINC001360511864 1065458279 /nfs/dbraw/zinc/45/82/79/1065458279.db2.gz WAMCHBMDNPXEPP-OAQYLSRUSA-N 1 1 454.574 4.798 20 0 JJADMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)sc2C1 ZINC001436936107 1065476565 /nfs/dbraw/zinc/47/65/65/1065476565.db2.gz AUPPVWJMYNTZLB-UHFFFAOYSA-N 1 1 451.474 4.621 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3cnn(Cc4cc(F)ccc4Cl)c3)cc2)C[C@H](C)O1 ZINC001436967041 1065482855 /nfs/dbraw/zinc/48/28/55/1065482855.db2.gz SUYBIQNYZFQZGO-CALCHBBNSA-N 1 1 456.949 4.585 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3cnn(Cc4cc(F)ccc4Cl)c3)cc2)C[C@H](C)O1 ZINC001436967041 1065482862 /nfs/dbraw/zinc/48/28/62/1065482862.db2.gz SUYBIQNYZFQZGO-CALCHBBNSA-N 1 1 456.949 4.585 20 0 JJADMO C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nnc1C(C)(C)C ZINC001360519528 1065487429 /nfs/dbraw/zinc/48/74/29/1065487429.db2.gz OQKZJQJYQZPKNT-RZUBCFFCSA-N 1 1 488.721 4.532 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2cccc(OC)c2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001545904340 1065503246 /nfs/dbraw/zinc/50/32/46/1065503246.db2.gz SKIPTUAKBAMLST-OFVILXPXSA-N 1 1 496.700 4.667 20 0 JJADMO C[C@H](CN(C)c1nnc(COc2ccccc2F)n1C[C@H]1[N@@H+](C)CCCC1(C)C)c1nccs1 ZINC001360529288 1065508802 /nfs/dbraw/zinc/50/88/02/1065508802.db2.gz FPGOSJHVPHPDHI-WIYYLYMNSA-N 1 1 486.661 4.813 20 0 JJADMO C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001360535208 1065516777 /nfs/dbraw/zinc/51/67/77/1065516777.db2.gz AXTITDWUBQQYIC-FXAWDEMLSA-N 1 1 489.064 4.575 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)c2ccccc2)CC1 ZINC001360535712 1065517295 /nfs/dbraw/zinc/51/72/95/1065517295.db2.gz GQQKDRLRWRBMAG-GOSISDBHSA-N 1 1 471.447 4.760 20 0 JJADMO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccccn1)[N@@H+](C)Cc1ccccc1 ZINC001360536070 1065518672 /nfs/dbraw/zinc/51/86/72/1065518672.db2.gz TUIRWOVITRUTCE-GOSISDBHSA-N 1 1 494.441 4.588 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@]3(CC=CCC3)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001545905446 1065519159 /nfs/dbraw/zinc/51/91/59/1065519159.db2.gz BJKDOOFJQGWGHP-WXVAWEFUSA-N 1 1 470.706 4.644 20 0 JJADMO C[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001360541011 1065526703 /nfs/dbraw/zinc/52/67/03/1065526703.db2.gz KSZVWYIYRRRVAH-FQEVSTJZSA-N 1 1 496.700 4.782 20 0 JJADMO C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001360542052 1065530264 /nfs/dbraw/zinc/53/02/64/1065530264.db2.gz WUYHYVDMEXINIM-DBXWQHBBSA-N 1 1 479.591 4.598 20 0 JJADMO C[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001360542053 1065530423 /nfs/dbraw/zinc/53/04/23/1065530423.db2.gz WUYHYVDMEXINIM-LVCYWYKZSA-N 1 1 479.591 4.598 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](C)c2nccs2)CC1 ZINC001360545241 1065535408 /nfs/dbraw/zinc/53/54/08/1065535408.db2.gz YHUMCCSGGSFSAH-GOSISDBHSA-N 1 1 456.635 4.901 20 0 JJADMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC001437313289 1065535554 /nfs/dbraw/zinc/53/55/54/1065535554.db2.gz HVMNDPIUGIWALR-UGNRZPKXSA-N 1 1 457.412 4.825 20 0 JJADMO CN1CC[NH+](CCCOc2ccc(NC(=O)CSc3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC001437380618 1065545427 /nfs/dbraw/zinc/54/54/27/1065545427.db2.gz FPONJQUZIGMLOZ-UHFFFAOYSA-N 1 1 455.668 4.731 20 0 JJADMO CC[N@@H+](CCCNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)C1CCCCC1 ZINC001437411504 1065547969 /nfs/dbraw/zinc/54/79/69/1065547969.db2.gz PPITXCLFRKDJIY-OAQYLSRUSA-N 1 1 454.442 4.759 20 0 JJADMO C[C@H](Cn1c(C2CCCC2)nnc1N(C)Cc1csc(Br)c1)[N@@H+](C)C1CC1 ZINC001360558661 1065548084 /nfs/dbraw/zinc/54/80/84/1065548084.db2.gz BASIAGRXSUTPLB-CQSZACIVSA-N 1 1 452.466 4.879 20 0 JJADMO C[C@H](CSc1ccccc1)N(C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001437412793 1065548399 /nfs/dbraw/zinc/54/83/99/1065548399.db2.gz OHYDMUZOQIOCLS-UEVCKROQSA-N 1 1 451.661 4.998 20 0 JJADMO C[C@@H](Cn1c(C2CCCC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC001360559842 1065549691 /nfs/dbraw/zinc/54/96/91/1065549691.db2.gz NSXUORLCQNAWBU-SFHVURJKSA-N 1 1 489.590 4.845 20 0 JJADMO C[C@H](Cn1c(C2CCCC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360559873 1065549778 /nfs/dbraw/zinc/54/97/78/1065549778.db2.gz ODPUIVCYJWDWIB-ISKFKSNPSA-N 1 1 494.728 4.835 20 0 JJADMO CC[N@@H+](CCCNC(=O)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl)C1CCCCC1 ZINC001437421324 1065550140 /nfs/dbraw/zinc/55/01/40/1065550140.db2.gz SYBBKDWGANYARZ-UHFFFAOYSA-N 1 1 457.928 4.714 20 0 JJADMO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1)[N@@H+](C)C1CC1 ZINC001360565521 1065556151 /nfs/dbraw/zinc/55/61/51/1065556151.db2.gz XTGCUVOHIBHNGT-BLIXFSHQSA-N 1 1 494.453 4.564 20 0 JJADMO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(I)cc2F)c1 ZINC001437489170 1065561743 /nfs/dbraw/zinc/56/17/43/1065561743.db2.gz QSWCISKVBRWBPU-LJQANCHMSA-N 1 1 452.311 4.732 20 0 JJADMO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc(I)cc2F)c1 ZINC001437489170 1065561752 /nfs/dbraw/zinc/56/17/52/1065561752.db2.gz QSWCISKVBRWBPU-LJQANCHMSA-N 1 1 452.311 4.732 20 0 JJADMO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)[N@@H+](C)C1CC1 ZINC001360570990 1065565076 /nfs/dbraw/zinc/56/50/76/1065565076.db2.gz XVZNLBFDFIJBIU-AZUAARDMSA-N 1 1 455.622 4.588 20 0 JJADMO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1)[N@@H+](C)C1CC1 ZINC001360570991 1065565172 /nfs/dbraw/zinc/56/51/72/1065565172.db2.gz XVZNLBFDFIJBIU-ICSRJNTNSA-N 1 1 455.622 4.588 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](SC)C2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001545907395 1065565579 /nfs/dbraw/zinc/56/55/79/1065565579.db2.gz HSVGUSKVHHLWJB-ZEQRLZLVSA-N 1 1 498.741 4.583 20 0 JJADMO C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360574212 1065568213 /nfs/dbraw/zinc/56/82/13/1065568213.db2.gz BJYQVKLLLVJOMU-RDGATRHJSA-N 1 1 476.669 4.568 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C)c2nccs2)CC1 ZINC001360577375 1065572497 /nfs/dbraw/zinc/57/24/97/1065572497.db2.gz BDRYLKXFNPKXCP-NRFANRHFSA-N 1 1 466.699 4.880 20 0 JJADMO C[N@@H+](Cc1ccc2nc(NC(=O)C(=O)c3ccc(Br)s3)sc2c1)C1CC1 ZINC001437562312 1065577319 /nfs/dbraw/zinc/57/73/19/1065577319.db2.gz XGEXBWSYSNKAMJ-UHFFFAOYSA-N 1 1 450.383 4.536 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](C)C2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001545907908 1065582065 /nfs/dbraw/zinc/58/20/65/1065582065.db2.gz UCIHDRYZUUFWQQ-RBBKRZOGSA-N 1 1 470.662 4.643 20 0 JJADMO C[C@@H](Cn1c(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)nnc1C(C)(C)C)[N@@H+](C)C1CC1 ZINC001360587533 1065589197 /nfs/dbraw/zinc/58/91/97/1065589197.db2.gz RBZXYUZGXMOBFV-LSDHHAIUSA-N 1 1 470.609 4.918 20 0 JJADMO C[C@H](Cn1c(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)nnc1C(C)(C)C)[N@@H+](C)C1CC1 ZINC001360587530 1065589228 /nfs/dbraw/zinc/58/92/28/1065589228.db2.gz RBZXYUZGXMOBFV-CABCVRRESA-N 1 1 470.609 4.918 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H](C)c1cccc(C)c1 ZINC001545909727 1065614333 /nfs/dbraw/zinc/61/43/33/1065614333.db2.gz RAUHJRSSSZCRQT-OAQYLSRUSA-N 1 1 468.690 4.619 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1[C@H]1C[C@H](c2ccccc2C)C1 ZINC001545909908 1065616735 /nfs/dbraw/zinc/61/67/35/1065616735.db2.gz YWDPQKGWCNTIDA-AFARHQOCSA-N 1 1 480.701 4.934 20 0 JJADMO Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001437901572 1065628353 /nfs/dbraw/zinc/62/83/53/1065628353.db2.gz KUHCPPLJCXVOFI-FQEVSTJZSA-N 1 1 457.405 4.729 20 0 JJADMO C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H](C)C1CCCCC1)C[NH+]1CCOCC1 ZINC001360607678 1065634367 /nfs/dbraw/zinc/63/43/67/1065634367.db2.gz ZTMCVUNTHOHZPW-PMACEKPBSA-N 1 1 475.628 4.520 20 0 JJADMO CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC001438056686 1065660335 /nfs/dbraw/zinc/66/03/35/1065660335.db2.gz ITWSAAQEHXUFCU-FQEVSTJZSA-N 1 1 451.586 4.842 20 0 JJADMO C[C@@H](N1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@@H+](C)C2CCCCC2)CC1)C(F)(F)F ZINC001360633193 1065686583 /nfs/dbraw/zinc/68/65/83/1065686583.db2.gz ZUFGMLZBXHJGMI-GOSISDBHSA-N 1 1 499.025 4.936 20 0 JJADMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCC[N@H+]2CCCC[C@H]2C)C1 ZINC001360636918 1065696847 /nfs/dbraw/zinc/69/68/47/1065696847.db2.gz NQPFSTVSFLXJKB-BHIFYINESA-N 1 1 490.737 4.970 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(N3CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)C1 ZINC001360637595 1065700950 /nfs/dbraw/zinc/70/09/50/1065700950.db2.gz YXZBDWKALCXJGD-BHDDXSALSA-N 1 1 490.737 4.826 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(N3CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)C1 ZINC001360637594 1065701069 /nfs/dbraw/zinc/70/10/69/1065701069.db2.gz YXZBDWKALCXJGD-BDTNDASRSA-N 1 1 490.737 4.826 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(CC2CCCC2)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360638997 1065705741 /nfs/dbraw/zinc/70/57/41/1065705741.db2.gz MCPMQDFFMLBBEM-FYYLOGMGSA-N 1 1 490.737 4.871 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC001438334063 1065711299 /nfs/dbraw/zinc/71/12/99/1065711299.db2.gz RXBAHDQESBGHIF-YOEHRIQHSA-N 1 1 455.318 4.966 20 0 JJADMO C[C@H](Cn1c(C2CC2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001360641101 1065712522 /nfs/dbraw/zinc/71/25/22/1065712522.db2.gz CVJGGWVSQXGVRK-NHCUHLMSSA-N 1 1 496.700 4.806 20 0 JJADMO C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C3CC3)n2CCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001360641406 1065713603 /nfs/dbraw/zinc/71/36/03/1065713603.db2.gz HSIHVVAFGGMCFA-NRFANRHFSA-N 1 1 496.700 4.807 20 0 JJADMO O=C(CN(C(=O)c1ccccc1)c1ccccc1)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001438363258 1065716909 /nfs/dbraw/zinc/71/69/09/1065716909.db2.gz ZUOHEWDUZOFBOF-SANMLTNESA-N 1 1 455.602 4.894 20 0 JJADMO O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001438455989 1065721995 /nfs/dbraw/zinc/72/19/95/1065721995.db2.gz DSIAWUSJDCFRGB-RZUBCFFCSA-N 1 1 452.904 4.741 20 0 JJADMO CSCc1c2ccccc2oc1C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001360654073 1065725787 /nfs/dbraw/zinc/72/57/87/1065725787.db2.gz BZHKYYPVPKJZPW-LJQANCHMSA-N 1 1 451.592 4.714 20 0 JJADMO CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001360658756 1065727582 /nfs/dbraw/zinc/72/75/82/1065727582.db2.gz PEHVVUGLJLIJSY-GGAORHGYSA-N 1 1 458.002 4.548 20 0 JJADMO COc1ccc(CCCCCC(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@@H+](C)C3)cc2)cc1 ZINC001360658796 1065728606 /nfs/dbraw/zinc/72/86/06/1065728606.db2.gz PTBCVCBSWUBSDP-XMMPIXPASA-N 1 1 451.611 4.603 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)n1CC1=CCCCC1 ZINC001545916678 1065730561 /nfs/dbraw/zinc/73/05/61/1065730561.db2.gz LMJVPQDTEXVJBP-OAQYLSRUSA-N 1 1 494.684 4.589 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1C[C@@H]1CCC(F)(F)C1 ZINC001545917062 1065734042 /nfs/dbraw/zinc/73/40/42/1065734042.db2.gz WETQKZUTYYNDIG-QZTJIDSGSA-N 1 1 494.656 4.577 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1CCc1cccc(F)c1 ZINC001545916915 1065734153 /nfs/dbraw/zinc/73/41/53/1065734153.db2.gz RQXNOLQLJKTONY-LJQANCHMSA-N 1 1 498.672 4.523 20 0 JJADMO O=C(CCc1nc2cc(Br)ccc2s1)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001438583151 1065734199 /nfs/dbraw/zinc/73/41/99/1065734199.db2.gz RCNYEBWSBYTCKP-KRWDZBQOSA-N 1 1 450.446 4.905 20 0 JJADMO CSc1ccc(-c2nsc(NC(=O)c3ccc(C[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)n2)cc1 ZINC001360702106 1065740821 /nfs/dbraw/zinc/74/08/21/1065740821.db2.gz VQNSXTPRCAKJNA-HOTGVXAUSA-N 1 1 454.621 4.789 20 0 JJADMO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360711685 1065743810 /nfs/dbraw/zinc/74/38/10/1065743810.db2.gz LPEHLCHRCSGPMB-TWOQFEAHSA-N 1 1 453.435 4.880 20 0 JJADMO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360711685 1065743819 /nfs/dbraw/zinc/74/38/19/1065743819.db2.gz LPEHLCHRCSGPMB-TWOQFEAHSA-N 1 1 453.435 4.880 20 0 JJADMO CCc1ccc(Br)cc1C(=O)N1CC[C@@]2(C1)C[N@H+](Cc1ccccc1)C[C@H](C)O2 ZINC001438863527 1065759747 /nfs/dbraw/zinc/75/97/47/1065759747.db2.gz PVQYKQXZXOGZJD-UUOWRZLLSA-N 1 1 457.412 4.517 20 0 JJADMO CCc1ccc(Br)cc1C(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1ccccc1)C[C@H](C)O2 ZINC001438863527 1065759765 /nfs/dbraw/zinc/75/97/65/1065759765.db2.gz PVQYKQXZXOGZJD-UUOWRZLLSA-N 1 1 457.412 4.517 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)C(F)(F)c3ccc(C(C)(C)C)cc3)C2)O1 ZINC001438869524 1065760582 /nfs/dbraw/zinc/76/05/82/1065760582.db2.gz YRZDREHYPSEULB-FQRUVTKNSA-N 1 1 456.577 4.968 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)C(F)(F)c3ccc(C(C)(C)C)cc3)C2)O1 ZINC001438869524 1065760589 /nfs/dbraw/zinc/76/05/89/1065760589.db2.gz YRZDREHYPSEULB-FQRUVTKNSA-N 1 1 456.577 4.968 20 0 JJADMO C[C@H]1C[C@@H](N(C)C(=O)CC(C)(C)NC(=O)OCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001360735338 1065763472 /nfs/dbraw/zinc/76/34/72/1065763472.db2.gz PIGHPEOAMLKEOD-URXFXBBRSA-N 1 1 451.611 4.593 20 0 JJADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CC2CC(F)(F)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001360738553 1065769034 /nfs/dbraw/zinc/76/90/34/1065769034.db2.gz NQCGLZPRDKLMPP-IAGOWNOFSA-N 1 1 451.537 4.523 20 0 JJADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CC(F)(F)F)n1CC[N@@H+]1CCc2sccc2C1 ZINC001360738745 1065769620 /nfs/dbraw/zinc/76/96/20/1065769620.db2.gz SIUUIFGVEDTCQQ-OAHLLOKOSA-N 1 1 483.535 4.676 20 0 JJADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CC(F)(F)F)n1CC[N@H+]1CCc2sccc2C1 ZINC001360738745 1065769632 /nfs/dbraw/zinc/76/96/32/1065769632.db2.gz SIUUIFGVEDTCQQ-OAHLLOKOSA-N 1 1 483.535 4.676 20 0 JJADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CCc2nccs2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360739163 1065770244 /nfs/dbraw/zinc/77/02/44/1065770244.db2.gz QUWAKTBWNHBOHP-IBGZPJMESA-N 1 1 486.661 4.815 20 0 JJADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@H]1CCCC1(C)C ZINC001360739836 1065771907 /nfs/dbraw/zinc/77/19/07/1065771907.db2.gz XRIHGGUGRXDVAF-NHCUHLMSSA-N 1 1 487.664 4.931 20 0 JJADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@H]1CCCC1(C)C ZINC001360739836 1065771924 /nfs/dbraw/zinc/77/19/24/1065771924.db2.gz XRIHGGUGRXDVAF-NHCUHLMSSA-N 1 1 487.664 4.931 20 0 JJADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@@H]1CCCC1(C)C ZINC001360739838 1065771979 /nfs/dbraw/zinc/77/19/79/1065771979.db2.gz XRIHGGUGRXDVAF-SFTDATJTSA-N 1 1 487.664 4.931 20 0 JJADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@@H]1CCCC1(C)C ZINC001360739838 1065771993 /nfs/dbraw/zinc/77/19/93/1065771993.db2.gz XRIHGGUGRXDVAF-SFTDATJTSA-N 1 1 487.664 4.931 20 0 JJADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@H]1CCCC1(C)C ZINC001360739835 1065772220 /nfs/dbraw/zinc/77/22/20/1065772220.db2.gz XRIHGGUGRXDVAF-LEWJYISDSA-N 1 1 487.664 4.931 20 0 JJADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@H]1CCCC1(C)C ZINC001360739835 1065772235 /nfs/dbraw/zinc/77/22/35/1065772235.db2.gz XRIHGGUGRXDVAF-LEWJYISDSA-N 1 1 487.664 4.931 20 0 JJADMO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCc1cc(-c2ccc(F)cc2F)on1 ZINC001439003745 1065776498 /nfs/dbraw/zinc/77/64/98/1065776498.db2.gz XMXYZTJXMKRXFD-KRWDZBQOSA-N 1 1 455.505 4.803 20 0 JJADMO C[N@H+]1CCC[C@H](CNC(=O)COc2ccccc2OCc2ccccc2)[C@@H]1c1cccs1 ZINC001360742091 1065776609 /nfs/dbraw/zinc/77/66/09/1065776609.db2.gz VAXWMQCGCZHNPV-QFQXNSOFSA-N 1 1 450.604 4.905 20 0 JJADMO C[N@H+]1CCC[C@@H](CNC(=O)COc2ccccc2OCc2ccccc2)[C@H]1c1cccs1 ZINC001360742089 1065776659 /nfs/dbraw/zinc/77/66/59/1065776659.db2.gz VAXWMQCGCZHNPV-LVXARBLLSA-N 1 1 450.604 4.905 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCOC(C)(C)C)CC1 ZINC001360743830 1065780492 /nfs/dbraw/zinc/78/04/92/1065780492.db2.gz KLAUMJUZKJTDOJ-HXUWFJFHSA-N 1 1 475.653 4.929 20 0 JJADMO CC(C)N1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001360749006 1065791090 /nfs/dbraw/zinc/79/10/90/1065791090.db2.gz JYLYNVCSLYWDFF-OFVILXPXSA-N 1 1 486.680 4.598 20 0 JJADMO CC(C)N1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001360749007 1065791669 /nfs/dbraw/zinc/79/16/69/1065791669.db2.gz JYLYNVCSLYWDFF-PXDATVDWSA-N 1 1 486.680 4.598 20 0 JJADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCSCC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001360749502 1065792735 /nfs/dbraw/zinc/79/27/35/1065792735.db2.gz FEOUSSZKIBCHIR-VQTJNVASSA-N 1 1 461.651 4.765 20 0 JJADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)C[C@H]2CCOC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360753667 1065800509 /nfs/dbraw/zinc/80/05/09/1065800509.db2.gz GUDBYHBLWTWZRK-VQTJNVASSA-N 1 1 476.065 4.666 20 0 JJADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC(F)F)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001360754064 1065802220 /nfs/dbraw/zinc/80/22/20/1065802220.db2.gz NSFORNIGYIKSSZ-JKSUJKDBSA-N 1 1 464.948 4.622 20 0 JJADMO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC(F)F)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001360754061 1065802400 /nfs/dbraw/zinc/80/24/00/1065802400.db2.gz NSFORNIGYIKSSZ-CVEARBPZSA-N 1 1 464.948 4.622 20 0 JJADMO C[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001360760854 1065834951 /nfs/dbraw/zinc/83/49/51/1065834951.db2.gz UKUUIZWFBSSMPV-FGSXEWAUSA-N 1 1 476.065 4.806 20 0 JJADMO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC001439618828 1065848522 /nfs/dbraw/zinc/84/85/22/1065848522.db2.gz ZNTUYAAUGQAHAF-OAQYLSRUSA-N 1 1 458.400 4.504 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC001439618828 1065848537 /nfs/dbraw/zinc/84/85/37/1065848537.db2.gz ZNTUYAAUGQAHAF-OAQYLSRUSA-N 1 1 458.400 4.504 20 0 JJADMO C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCCC(C)(C)C ZINC001360767011 1065855329 /nfs/dbraw/zinc/85/53/29/1065855329.db2.gz HSJIODYMKFWZTF-QHAWAJNXSA-N 1 1 475.653 4.929 20 0 JJADMO C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCCC(C)(C)C ZINC001360767011 1065855338 /nfs/dbraw/zinc/85/53/38/1065855338.db2.gz HSJIODYMKFWZTF-QHAWAJNXSA-N 1 1 475.653 4.929 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C[C@H](C)c1cccc(C)c1 ZINC001545924126 1065856480 /nfs/dbraw/zinc/85/64/80/1065856480.db2.gz QDNCENDHEZRGIO-NRFANRHFSA-N 1 1 494.709 4.692 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CCCC(C)(C)C ZINC001545924172 1065858043 /nfs/dbraw/zinc/85/80/43/1065858043.db2.gz RSJZRKPBKBBGSA-OAQYLSRUSA-N 1 1 468.690 4.734 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CC(F)(F)CO2)CC1 ZINC001360769010 1065859724 /nfs/dbraw/zinc/85/97/24/1065859724.db2.gz BYNWGXSBGFLQAB-QUCCMNQESA-N 1 1 495.590 4.538 20 0 JJADMO C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCCC(C)(C)C ZINC001360769031 1065859870 /nfs/dbraw/zinc/85/98/70/1065859870.db2.gz CJRWOMCWERANPC-RXFWQSSRSA-N 1 1 473.637 4.685 20 0 JJADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001360769621 1065862412 /nfs/dbraw/zinc/86/24/12/1065862412.db2.gz LDSINTJOBHYKRH-LSDHHAIUSA-N 1 1 468.404 4.939 20 0 JJADMO C[C@@]1(NC(=O)c2ncccc2Br)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001439757803 1065871065 /nfs/dbraw/zinc/87/10/65/1065871065.db2.gz ONTBJPDZEHDPKN-GBXCKJPGSA-N 1 1 450.380 4.632 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2CC(F)(F)C2)CC1 ZINC001360775025 1065875932 /nfs/dbraw/zinc/87/59/32/1065875932.db2.gz WSSNZEZLIZXZAF-QGZVFWFLSA-N 1 1 451.537 4.523 20 0 JJADMO C[N@H+]1CCCC[C@H]1CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001439887913 1065889259 /nfs/dbraw/zinc/88/92/59/1065889259.db2.gz GBUWFOQVSWPJGY-FQEVSTJZSA-N 1 1 453.384 4.516 20 0 JJADMO CC1(C)CC[N@@H+](CCNC(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)C1 ZINC001440036948 1065905957 /nfs/dbraw/zinc/90/59/57/1065905957.db2.gz YCQOZLULARWOJO-UHFFFAOYSA-N 1 1 457.043 4.678 20 0 JJADMO O=C(N[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1cn2cc(Cl)cc(Cl)c2n1 ZINC001440300903 1065929282 /nfs/dbraw/zinc/92/92/82/1065929282.db2.gz RGPBOTUNUGUAAC-IBGZPJMESA-N 1 1 457.283 4.578 20 0 JJADMO O=C(N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1cn2cc(Cl)cc(Cl)c2n1 ZINC001440300903 1065929290 /nfs/dbraw/zinc/92/92/90/1065929290.db2.gz RGPBOTUNUGUAAC-IBGZPJMESA-N 1 1 457.283 4.578 20 0 JJADMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](C(C)C)C2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC001440384708 1065936229 /nfs/dbraw/zinc/93/62/29/1065936229.db2.gz KQZJHIIOAGEADX-QGZVFWFLSA-N 1 1 450.004 4.508 20 0 JJADMO Cc1ccccc1C[NH+]1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)CC1 ZINC001440438965 1065940810 /nfs/dbraw/zinc/94/08/10/1065940810.db2.gz SXYAAQUWQGEHPX-JOCHJYFZSA-N 1 1 458.002 4.559 20 0 JJADMO Cc1ccccc1C[NH+]1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)CC1 ZINC001440438971 1065941028 /nfs/dbraw/zinc/94/10/28/1065941028.db2.gz SXYAAQUWQGEHPX-QFIPXVFZSA-N 1 1 458.002 4.559 20 0 JJADMO CC(C)(C)OC(=O)[C@@H](C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C(C)(C)C ZINC001440565578 1065950818 /nfs/dbraw/zinc/95/08/18/1065950818.db2.gz JSTOTRSPIYGZTK-HSZRJFAPSA-N 1 1 450.623 4.924 20 0 JJADMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001440635089 1065955953 /nfs/dbraw/zinc/95/59/53/1065955953.db2.gz IAIKTTRTPRBWOE-NRJQMVOHSA-N 1 1 452.014 4.548 20 0 JJADMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC001440638747 1065957046 /nfs/dbraw/zinc/95/70/46/1065957046.db2.gz RVTLIHZTZREOHC-QGZVFWFLSA-N 1 1 459.432 4.508 20 0 JJADMO CC[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001440644879 1065957600 /nfs/dbraw/zinc/95/76/00/1065957600.db2.gz HMHZUIVZSRNPCF-YKSBVNFPSA-N 1 1 453.627 4.814 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC001440678251 1065964046 /nfs/dbraw/zinc/96/40/46/1065964046.db2.gz VSSRJMDYKILKAL-FGZHOGPDSA-N 1 1 451.394 4.587 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC(C)=C(Br)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cs1 ZINC001360853719 1065970792 /nfs/dbraw/zinc/97/07/92/1065970792.db2.gz IQZMGGHYTSTIMU-IBGZPJMESA-N 1 1 493.519 4.633 20 0 JJADMO Cc1onc(-c2cccc(Br)c2)c1C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001440723854 1065971684 /nfs/dbraw/zinc/97/16/84/1065971684.db2.gz CWKISGRIBQGJPX-UHFFFAOYSA-N 1 1 454.368 4.761 20 0 JJADMO CC1=C(Br)CN(c2nnc(CC3CC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001360854289 1065973093 /nfs/dbraw/zinc/97/30/93/1065973093.db2.gz UHTHYLAWQVRMCE-MRXNPFEDSA-N 1 1 450.469 4.620 20 0 JJADMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC001440742245 1065974339 /nfs/dbraw/zinc/97/43/39/1065974339.db2.gz BICMGRWPJWYFHG-IZZNHLLZSA-N 1 1 454.058 4.938 20 0 JJADMO CCC(CC)[C@H](C(=O)NCCCN1c2ccccc2Sc2ccccc21)[NH+]1CCOCC1 ZINC001440815475 1065980958 /nfs/dbraw/zinc/98/09/58/1065980958.db2.gz DLQGCFJNBYSVDE-RUZDIDTESA-N 1 1 453.652 4.933 20 0 JJADMO Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1C ZINC001360862605 1065981308 /nfs/dbraw/zinc/98/13/08/1065981308.db2.gz UBXYYTCEIXAHPZ-LJQANCHMSA-N 1 1 468.690 4.778 20 0 JJADMO Cc1noc(C)c1CN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCn1cc[nH+]c1C ZINC001360866230 1065988168 /nfs/dbraw/zinc/98/81/68/1065988168.db2.gz PAVSIDAJYULIGG-OAQYLSRUSA-N 1 1 477.613 4.871 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@H](C)c3ccco3)n2CCC[NH+]2CCOCC2)c1C ZINC001360866810 1065990444 /nfs/dbraw/zinc/99/04/44/1065990444.db2.gz YYDZSEITFVAFLN-YADHBBJMSA-N 1 1 467.614 4.548 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)CC3CCC3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC001360868649 1065993289 /nfs/dbraw/zinc/99/32/89/1065993289.db2.gz JJBOPQBXCBRTGB-XJUOHMSHSA-N 1 1 469.674 4.771 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccccn3)n2CC[N@@H+](C)C2CCCC2)c1C ZINC001360868841 1065994516 /nfs/dbraw/zinc/99/45/16/1065994516.db2.gz KPUFYOFNOIDMNZ-QFIPXVFZSA-N 1 1 462.642 4.941 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3C[C@H](C)OC(C)(C)C3)n2CC[N@@H+](C)C2CCCC2)c1C ZINC001360868878 1065994991 /nfs/dbraw/zinc/99/49/91/1065994991.db2.gz CBUFDASDXSGVAG-UNMCSNQZSA-N 1 1 469.674 4.913 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCC(C)C)c1C ZINC001360869107 1065995802 /nfs/dbraw/zinc/99/58/02/1065995802.db2.gz MEASJHJPKWXYJX-XJUOHMSHSA-N 1 1 457.663 4.626 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCC(C)C)c1C ZINC001360869107 1065995817 /nfs/dbraw/zinc/99/58/17/1065995817.db2.gz MEASJHJPKWXYJX-XJUOHMSHSA-N 1 1 457.663 4.626 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H]3CCCO3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)c1C ZINC001360869114 1065996544 /nfs/dbraw/zinc/99/65/44/1065996544.db2.gz FBWRNRRINDEJBS-NAMDQGSHSA-N 1 1 469.674 4.771 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ncc(Cl)n3C)n2CC[N@H+]2CCC[C@H]2C)c1C ZINC001360869366 1065997721 /nfs/dbraw/zinc/99/77/21/1065997721.db2.gz OHVJNGUQPXMZFY-QUCCMNQESA-N 1 1 486.064 4.543 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccco3)n2CC[N@H+]2CCC[C@@H](C)C2)c1C ZINC001360870773 1066003772 /nfs/dbraw/zinc/00/37/72/1066003772.db2.gz ZBCRISQTYAOSDS-KNQAVFIVSA-N 1 1 451.615 4.996 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)CCOC(C)(C)C)n2CC[N@H+]2CCC[C@H]2C)c1C ZINC001360871352 1066004561 /nfs/dbraw/zinc/00/45/61/1066004561.db2.gz WLWGPKJFTPEQCV-IRLDBZIGSA-N 1 1 457.663 4.771 20 0 JJADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCSCc3nc4ccccc4c(=O)[nH]3)cc2)C1 ZINC001441064650 1066005184 /nfs/dbraw/zinc/00/51/84/1066005184.db2.gz YGBSJXIGUMRLDN-GOSISDBHSA-N 1 1 450.608 4.829 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H](C(C)C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)c1C ZINC001360872876 1066007040 /nfs/dbraw/zinc/00/70/40/1066007040.db2.gz AMNKUGAUTHIRDU-LOSJGSFVSA-N 1 1 496.744 4.933 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](OCC(C)C)C3)n2CC[N@H+]2CCC[C@H]2C)c1C ZINC001360872973 1066007646 /nfs/dbraw/zinc/00/76/46/1066007646.db2.gz DGMAUNFVJWUAIL-GMKZXUHWSA-N 1 1 469.674 4.771 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCC[N@H+](C4CCCC4)CC3)n2C[C@@](C)(O)C(C)C)c1C ZINC001360873254 1066008310 /nfs/dbraw/zinc/00/83/10/1066008310.db2.gz DFVFPLFZJMLJLL-NEKDWFFYSA-N 1 1 483.701 4.897 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCCCCC3)n2CCCC[N@H+]2CCC[C@@H]2CO)c1C ZINC001360873560 1066009287 /nfs/dbraw/zinc/00/92/87/1066009287.db2.gz FPDCOGNSNPHOEP-BJKOFHAPSA-N 1 1 469.674 4.652 20 0 JJADMO CC[C@H](CNC(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1)[N@H+]1CCc2ccccc2C1 ZINC001441244689 1066019664 /nfs/dbraw/zinc/01/96/64/1066019664.db2.gz RPACTQPALAVEIG-HXUWFJFHSA-N 1 1 452.002 4.611 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCC=C(Br)C3)n2CC[N@H+](C)C(C)C)c1C ZINC001360875846 1066020214 /nfs/dbraw/zinc/02/02/14/1066020214.db2.gz ZQILQIJDSPIDSN-IBGZPJMESA-N 1 1 476.463 4.864 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCN(C(C)C)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)c1C ZINC001360876717 1066020995 /nfs/dbraw/zinc/02/09/95/1066020995.db2.gz AGIIVRRHZPNLFE-BJKOFHAPSA-N 1 1 470.706 4.542 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CC[N@H+](C4CCC4)C[C@@H](C)C3)n2CC(F)(F)F)c1C ZINC001360877674 1066023983 /nfs/dbraw/zinc/02/39/83/1066023983.db2.gz NNSLTELOCNOOIJ-APWZRJJASA-N 1 1 465.564 4.908 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCSCC3)n2CCC[N@H+]2CCCC[C@H]2C)c1C ZINC001360879078 1066028678 /nfs/dbraw/zinc/02/86/78/1066028678.db2.gz FUPQUKUTPQCJLM-IRLDBZIGSA-N 1 1 457.688 4.853 20 0 JJADMO COc1ccccc1Nc1ccc(C(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC001441326906 1066028851 /nfs/dbraw/zinc/02/88/51/1066028851.db2.gz SWEWMZUHVGYDFB-OYRHEFFESA-N 1 1 459.590 4.978 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCOC(C)(C)C3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC001360879500 1066030698 /nfs/dbraw/zinc/03/06/98/1066030698.db2.gz LSGHPGVNLXJXHJ-XJUOHMSHSA-N 1 1 499.700 4.538 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)c1C ZINC001360879595 1066031050 /nfs/dbraw/zinc/03/10/50/1066031050.db2.gz MXAISNKEUHBDCM-ZILOHOTNSA-N 1 1 469.674 4.769 20 0 JJADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc(CNC(=O)OC(C)(C)C)cc3)cc2)C1 ZINC001441350472 1066031461 /nfs/dbraw/zinc/03/14/61/1066031461.db2.gz DVEZKXHFZAPOJZ-FQEVSTJZSA-N 1 1 451.611 4.873 20 0 JJADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc(CNC(=O)OC(C)(C)C)cc3)cc2)C1 ZINC001441350477 1066031842 /nfs/dbraw/zinc/03/18/42/1066031842.db2.gz DVEZKXHFZAPOJZ-HXUWFJFHSA-N 1 1 451.611 4.873 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCOC[C@H]3C)n2CCC[N@@H+](C)C2CCCCC2)c1C ZINC001360879953 1066031860 /nfs/dbraw/zinc/03/18/60/1066031860.db2.gz SNRPGJHDMWNXMO-FYYLOGMGSA-N 1 1 469.674 4.915 20 0 JJADMO Cc1ccc(NC(=O)c2nnc(N3CCC(C)=C(C)C3)n2CC[N@H+]2CCCC(C)(C)C2)cc1C ZINC001360881387 1066034624 /nfs/dbraw/zinc/03/46/24/1066034624.db2.gz KSPSFGJFEZUYST-UHFFFAOYSA-N 1 1 464.658 4.816 20 0 JJADMO Cc1[nH]c2ccc(Cn3c(CC(C)(C)C)nnc3N3CC[NH+](CCOC(C)C)CC3)cc2c1C ZINC001360881940 1066034930 /nfs/dbraw/zinc/03/49/30/1066034930.db2.gz SMHHLVBEALVMFY-UHFFFAOYSA-N 1 1 466.674 4.560 20 0 JJADMO CC1=C(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001360884975 1066039651 /nfs/dbraw/zinc/03/96/51/1066039651.db2.gz NKBWLHLENCBCEL-GOSISDBHSA-N 1 1 461.452 4.703 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CCC2(C)C)C1 ZINC001441467940 1066043432 /nfs/dbraw/zinc/04/34/32/1066043432.db2.gz UCNVYOWWCGVTRB-MZKRTTBSSA-N 1 1 457.659 4.816 20 0 JJADMO CC1=C(C)CN(c2nnc(CCCc3ccccc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001360892263 1066043880 /nfs/dbraw/zinc/04/38/80/1066043880.db2.gz RAAGOEVZSMNGJO-DEOSSOPVSA-N 1 1 451.659 4.501 20 0 JJADMO CC1=C(C)CN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001360893100 1066045561 /nfs/dbraw/zinc/04/55/61/1066045561.db2.gz YOXWWGYJSGTRCQ-QFIPXVFZSA-N 1 1 455.622 4.911 20 0 JJADMO CC1=C(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001360893112 1066045706 /nfs/dbraw/zinc/04/57/06/1066045706.db2.gz ZDVXEZJOWSMKHC-VWLOTQADSA-N 1 1 495.712 4.938 20 0 JJADMO Cc1nc([C@H]2CCCN(c3nnc(COc4ccccc4F)n3CC[N@H+](C)C(C)C)C2)sc1C ZINC001360895665 1066048443 /nfs/dbraw/zinc/04/84/43/1066048443.db2.gz IXEUNOYRPWZMGC-FQEVSTJZSA-N 1 1 486.661 4.794 20 0 JJADMO Cc1nc([C@@H]2CCCN(c3nnc(COc4ccccc4F)n3CC[N@H+](C)C(C)C)C2)sc1C ZINC001360895666 1066048512 /nfs/dbraw/zinc/04/85/12/1066048512.db2.gz IXEUNOYRPWZMGC-HXUWFJFHSA-N 1 1 486.661 4.794 20 0 JJADMO Cc1nc(CCn2c(CC(C)C)nnc2N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)sc1C ZINC001360898780 1066051784 /nfs/dbraw/zinc/05/17/84/1066051784.db2.gz CPAWYIMWNUQXTB-QHCPKHFHSA-N 1 1 466.699 4.751 20 0 JJADMO O=C(Cc1ccccc1)Nc1cc(NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)ccc1F ZINC001441712573 1066063927 /nfs/dbraw/zinc/06/39/27/1066063927.db2.gz VAXNTJRQXNTJTH-HSZRJFAPSA-N 1 1 459.565 4.900 20 0 JJADMO Cc1ccccc1-n1ncc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C(F)(F)F ZINC001360909436 1066065671 /nfs/dbraw/zinc/06/56/71/1066065671.db2.gz RZZYMLLKCLQYSX-FQEVSTJZSA-N 1 1 456.512 4.794 20 0 JJADMO CCCc1c(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cnn1-c1cccc(F)c1 ZINC001441817421 1066072925 /nfs/dbraw/zinc/07/29/25/1066072925.db2.gz RUDKSRGIKLUZPT-UHFFFAOYSA-N 1 1 456.512 4.637 20 0 JJADMO Cc1c(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCC[N@H+](CC(C)C)C2)cnn1C ZINC001360929607 1066085628 /nfs/dbraw/zinc/08/56/28/1066085628.db2.gz KKADBRZBGROJSO-YADHBBJMSA-N 1 1 497.663 4.604 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)Cc1ccccc1 ZINC001442016918 1066085846 /nfs/dbraw/zinc/08/58/46/1066085846.db2.gz IHKSEADQIXOPNF-DEOSSOPVSA-N 1 1 457.659 4.627 20 0 JJADMO Cc1ncsc1CN(C)c1nnc(-c2cc(F)ccc2Br)n1CCC[N@H+](C)C(C)C ZINC001360933175 1066091049 /nfs/dbraw/zinc/09/10/49/1066091049.db2.gz XCANNJUSVDOMEX-UHFFFAOYSA-N 1 1 495.466 4.978 20 0 JJADMO C[C@@H]1C[C@H](N(C)C(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)CC[N@H+]1C ZINC001360933637 1066091731 /nfs/dbraw/zinc/09/17/31/1066091731.db2.gz LAAPWZJNYHRADA-NVXWUHKLSA-N 1 1 453.384 4.614 20 0 JJADMO CC(C)[C@@H](C(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001442106983 1066094309 /nfs/dbraw/zinc/09/43/09/1066094309.db2.gz OXAANDZPQLDGDB-DFIYOIEZSA-N 1 1 458.622 4.521 20 0 JJADMO CC(C)[C@@H](C(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001442106983 1066094322 /nfs/dbraw/zinc/09/43/22/1066094322.db2.gz OXAANDZPQLDGDB-DFIYOIEZSA-N 1 1 458.622 4.521 20 0 JJADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3cccnc3SCC3CCCCC3)c2)CCO1 ZINC001442110279 1066094633 /nfs/dbraw/zinc/09/46/33/1066094633.db2.gz CTYUFNIJIARLAN-FQEVSTJZSA-N 1 1 453.652 4.905 20 0 JJADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3cccnc3SCC3CCCCC3)c2)CCO1 ZINC001442110279 1066094638 /nfs/dbraw/zinc/09/46/38/1066094638.db2.gz CTYUFNIJIARLAN-FQEVSTJZSA-N 1 1 453.652 4.905 20 0 JJADMO Cc1occc1CN(C)c1nnc(CCOc2ccccc2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001360947556 1066102382 /nfs/dbraw/zinc/10/23/82/1066102382.db2.gz PWGZENDXAXQHAV-NRFANRHFSA-N 1 1 465.642 4.948 20 0 JJADMO Cc1ncsc1CN(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001360949662 1066106306 /nfs/dbraw/zinc/10/63/06/1066106306.db2.gz OHFSITDWLXDTJY-LJQANCHMSA-N 1 1 472.634 4.518 20 0 JJADMO O=C(c1csc([C@H]2CCCO2)n1)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001360952198 1066109223 /nfs/dbraw/zinc/10/92/23/1066109223.db2.gz YPVNCGBXVRNFNC-PKOBYXMFSA-N 1 1 453.530 4.521 20 0 JJADMO COc1cc(C(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)cc(OC)c1C ZINC001360951986 1066109269 /nfs/dbraw/zinc/10/92/69/1066109269.db2.gz QNIXFVRTJFYOAO-IBGZPJMESA-N 1 1 450.501 4.539 20 0 JJADMO C[C@H](C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001442264363 1066110208 /nfs/dbraw/zinc/11/02/08/1066110208.db2.gz MOPHDNDEEOBCCE-JVODISISSA-N 1 1 451.611 4.840 20 0 JJADMO O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)c1csc(-c2ccc(F)cc2)n1 ZINC001442298776 1066112923 /nfs/dbraw/zinc/11/29/23/1066112923.db2.gz WCDWWUGKNVJXNB-UHFFFAOYSA-N 1 1 458.990 4.545 20 0 JJADMO Cc1ccoc1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001360957038 1066113591 /nfs/dbraw/zinc/11/35/91/1066113591.db2.gz UYJKVNLJIRTZLP-QHCPKHFHSA-N 1 1 495.668 4.779 20 0 JJADMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC001442331406 1066117002 /nfs/dbraw/zinc/11/70/02/1066117002.db2.gz RSMWDGMYUYIUGT-PMACEKPBSA-N 1 1 451.014 4.972 20 0 JJADMO Cc1c(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001442333376 1066117014 /nfs/dbraw/zinc/11/70/14/1066117014.db2.gz TYMILXKQDOPZTR-UHFFFAOYSA-N 1 1 456.512 4.766 20 0 JJADMO Cc1ccoc1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001360960000 1066118270 /nfs/dbraw/zinc/11/82/70/1066118270.db2.gz VWADIFZRFYQQOK-UHFFFAOYSA-N 1 1 479.669 4.987 20 0 JJADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc2c(Br)cccc2cn1 ZINC001360961118 1066120716 /nfs/dbraw/zinc/12/07/16/1066120716.db2.gz AQLGIZQVODFALN-IBGZPJMESA-N 1 1 452.396 4.982 20 0 JJADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCOc1ccc(C)cc1Br ZINC001360961976 1066121179 /nfs/dbraw/zinc/12/11/79/1066121179.db2.gz WBDOQDDGRQBYSH-OAQYLSRUSA-N 1 1 459.428 4.897 20 0 JJADMO C[C@H](NC(=O)c1cccn1-c1c(Cl)cccc1Cl)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360964401 1066123392 /nfs/dbraw/zinc/12/33/92/1066123392.db2.gz PVYHONZGKIUACI-JTSKRJEESA-N 1 1 458.389 4.803 20 0 JJADMO C[C@H](NC(=O)c1cccn1-c1c(Cl)cccc1Cl)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360964401 1066123398 /nfs/dbraw/zinc/12/33/98/1066123398.db2.gz PVYHONZGKIUACI-JTSKRJEESA-N 1 1 458.389 4.803 20 0 JJADMO C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001442413436 1066126189 /nfs/dbraw/zinc/12/61/89/1066126189.db2.gz NOCCCAIQMSJABN-IBGZPJMESA-N 1 1 457.640 4.827 20 0 JJADMO CC[C@H](Cn1c(C(C)C)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1)NC(=O)OC(C)(C)C ZINC001545949945 1066138508 /nfs/dbraw/zinc/13/85/08/1066138508.db2.gz ICEGEDIYYXATHI-HXUWFJFHSA-N 1 1 485.677 4.622 20 0 JJADMO Cc1c(Cl)cccc1Cn1c(CC2CCCC2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001360982594 1066142701 /nfs/dbraw/zinc/14/27/01/1066142701.db2.gz PKNTXQLAOUEOBQ-UHFFFAOYSA-N 1 1 460.066 4.568 20 0 JJADMO Cc1c(Cl)cccc1Cn1c(CC2CCCC2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001360982594 1066142708 /nfs/dbraw/zinc/14/27/08/1066142708.db2.gz PKNTXQLAOUEOBQ-UHFFFAOYSA-N 1 1 460.066 4.568 20 0 JJADMO CC[C@@H](C)c1nnc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1C[C@@H](CC)NC(=O)OC(C)(C)C ZINC001545950379 1066143137 /nfs/dbraw/zinc/14/31/37/1066143137.db2.gz PKANYMWFQJRUIR-MZYLBHOOSA-N 1 1 484.689 4.806 20 0 JJADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)Cc2cccc(OCCCOc3ccccc3)c2)C1 ZINC001442672289 1066150634 /nfs/dbraw/zinc/15/06/34/1066150634.db2.gz VWWRXAFXZGSFLZ-GIFXNVAJSA-N 1 1 450.623 4.941 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@H]1CCOC1 ZINC001360986416 1066152114 /nfs/dbraw/zinc/15/21/14/1066152114.db2.gz CNNJSGINCZZMNY-RXVVDRJESA-N 1 1 473.021 4.509 20 0 JJADMO CC[C@H](Cn1c(C(C)C)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC001545950958 1066153115 /nfs/dbraw/zinc/15/31/15/1066153115.db2.gz ZGFMDXFJAAFRJB-FTBPSBKWSA-N 1 1 453.675 4.880 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCCC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001360989453 1066161334 /nfs/dbraw/zinc/16/13/34/1066161334.db2.gz FMUNLKNJWVGKMD-IFMALSPDSA-N 1 1 476.065 4.525 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCSC[C@@H]2C)n1CC[N@H+](C)C(C)C ZINC001360992903 1066172529 /nfs/dbraw/zinc/17/25/29/1066172529.db2.gz VYNNYVAOGVQITH-OALUTQOASA-N 1 1 466.095 4.970 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCSC[C@H]2C)n1CC[N@H+](C)C(C)C ZINC001360992902 1066172567 /nfs/dbraw/zinc/17/25/67/1066172567.db2.gz VYNNYVAOGVQITH-MOPGFXCFSA-N 1 1 466.095 4.970 20 0 JJADMO C[N@H+]1CCC[C@H](CNC(=O)c2ccn(-c3ccc(Br)cc3)n2)[C@@H]1c1cccs1 ZINC001360996849 1066175472 /nfs/dbraw/zinc/17/54/72/1066175472.db2.gz VDEKASGRTOSNGT-FOIQADDNSA-N 1 1 459.413 4.509 20 0 JJADMO Cc1cc([C@](C)(O)Cn2c(C(C)C)nnc2N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(C)o1 ZINC001360997208 1066175692 /nfs/dbraw/zinc/17/56/92/1066175692.db2.gz CMNSLXCTXRHEIR-MUUNZHRXSA-N 1 1 479.669 4.867 20 0 JJADMO Cc1cc(C(F)(F)F)ccc1Cn1c(CC(C)C)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001361008372 1066189322 /nfs/dbraw/zinc/18/93/22/1066189322.db2.gz LLRPBPQDGKOWIA-LJQANCHMSA-N 1 1 479.591 4.542 20 0 JJADMO Cc1cc(C)c(NC(=O)CN(C)c2nnc(C3CCCC3)n2CC[N@@H+]2CCC[C@H](C)C2)c(C)c1 ZINC001361014184 1066200208 /nfs/dbraw/zinc/20/02/08/1066200208.db2.gz JFUPZTOLGLYYOC-IBGZPJMESA-N 1 1 466.674 4.668 20 0 JJADMO Cc1ncsc1CN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001361020750 1066211078 /nfs/dbraw/zinc/21/10/78/1066211078.db2.gz GJFAABXUTATGHX-QFIPXVFZSA-N 1 1 482.698 4.996 20 0 JJADMO Cc1noc(C)c1CN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001361021143 1066213796 /nfs/dbraw/zinc/21/37/96/1066213796.db2.gz RGGMZKUCAWACRB-XMMPIXPASA-N 1 1 480.657 4.836 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N(C)Cc3nccs3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361021174 1066213904 /nfs/dbraw/zinc/21/39/04/1066213904.db2.gz SGUVNFJJMUTEJV-NQIIRXRSSA-N 1 1 468.671 4.687 20 0 JJADMO CC[C@H](Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[N@H+](C2CCCC2)CC1)OC ZINC001545951986 1066223293 /nfs/dbraw/zinc/22/32/93/1066223293.db2.gz GCZIRZCIXZWWLZ-LADGPHEKSA-N 1 1 469.674 4.915 20 0 JJADMO CC[C@]1(C)CC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)O1 ZINC001546056916 1066229975 /nfs/dbraw/zinc/22/99/75/1066229975.db2.gz LJJIOXVZZRMOBV-WIOPSUGQSA-N 1 1 474.719 4.538 20 0 JJADMO C[C@@]1(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)CC(c2cccc(Cl)c2F)=NO1 ZINC001442837712 1066229839 /nfs/dbraw/zinc/22/98/39/1066229839.db2.gz GKJDUFTZTQDIGX-VWLOTQADSA-N 1 1 457.977 4.529 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2CCC[N@H+](C)C(C)C)c1 ZINC001361028425 1066233188 /nfs/dbraw/zinc/23/31/88/1066233188.db2.gz IJSASTXNRLFLLC-UHFFFAOYSA-N 1 1 465.564 4.903 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361031509 1066242172 /nfs/dbraw/zinc/24/21/72/1066242172.db2.gz UBZWYJFUUJLLES-GHTZIAJQSA-N 1 1 479.591 4.985 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@H](C)[N@@H+](C)C2CC2)c1 ZINC001361031950 1066244152 /nfs/dbraw/zinc/24/41/52/1066244152.db2.gz GKWCKJODEQDMMO-FPOVZHCZSA-N 1 1 495.590 4.504 20 0 JJADMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1OCc1ccccc1Br ZINC001454129699 1066248630 /nfs/dbraw/zinc/24/86/30/1066248630.db2.gz FHIBCTNFKCWNOH-IBGZPJMESA-N 1 1 457.412 4.880 20 0 JJADMO Cc1nc(C)c(CCn2c(COc3cc(C)cc(C)c3)nnc2N2CCC[N@H+](C(C)C)CC2)s1 ZINC001361035107 1066252244 /nfs/dbraw/zinc/25/22/44/1066252244.db2.gz QKUDDPWMCKDHAA-UHFFFAOYSA-N 1 1 482.698 4.710 20 0 JJADMO C[NH+](C)[C@@H](C(=O)N1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1)c1cccc(Cl)c1 ZINC001454239174 1066256460 /nfs/dbraw/zinc/25/64/60/1066256460.db2.gz FTNKNCAUKRCGKP-HSZRJFAPSA-N 1 1 454.977 4.879 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCS[C@H](C(C)C)C1 ZINC001361038251 1066256463 /nfs/dbraw/zinc/25/64/63/1066256463.db2.gz GMFKBMJUQLUJHR-QHCPKHFHSA-N 1 1 468.671 4.647 20 0 JJADMO CC[C@]1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001546059131 1066261123 /nfs/dbraw/zinc/26/11/23/1066261123.db2.gz FNUHZCJYZCUIEZ-DQCZWYHMSA-N 1 1 496.700 4.661 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCSCC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361039776 1066262403 /nfs/dbraw/zinc/26/24/03/1066262403.db2.gz UCGLHICMLSPIFM-SZPZYZBQSA-N 1 1 471.715 4.784 20 0 JJADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001443103969 1066269554 /nfs/dbraw/zinc/26/95/54/1066269554.db2.gz OJLCWPOPBJAEIS-QHCPKHFHSA-N 1 1 457.659 4.784 20 0 JJADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2CCCC[C@]2(C)NC(=O)OC(C)(C)C)CC1 ZINC001443109678 1066270378 /nfs/dbraw/zinc/27/03/78/1066270378.db2.gz VADZLDKLTNBUGT-KCWPFWIISA-N 1 1 457.659 4.831 20 0 JJADMO CCOCCCn1c2ccccc2nc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC001443124900 1066271026 /nfs/dbraw/zinc/27/10/26/1066271026.db2.gz LFWRWHWECJVHSJ-FQEVSTJZSA-N 1 1 456.537 4.559 20 0 JJADMO CC(C)(C)OC(=O)Nc1ccc2sc(C(=O)N3CC[NH2+][C@@H](c4ccc(O)cc4)C3)cc2c1 ZINC001454340715 1066272384 /nfs/dbraw/zinc/27/23/84/1066272384.db2.gz WPKWWGMQPNLCJT-LJQANCHMSA-N 1 1 453.564 4.741 20 0 JJADMO Cc1cc(-c2nnc(N(C)CC(F)(F)F)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)c2ccccc2n1 ZINC001361046091 1066273774 /nfs/dbraw/zinc/27/37/74/1066273774.db2.gz VFOZDIRGQIKMPD-AEFFLSMTSA-N 1 1 460.548 4.921 20 0 JJADMO Cc1cc(NC(=O)C[N@@H+](C)CCc2ccccc2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC001443200607 1066279248 /nfs/dbraw/zinc/27/92/48/1066279248.db2.gz DXYYKEGQPKOQQP-UHFFFAOYSA-N 1 1 450.892 4.966 20 0 JJADMO COc1cc(Cl)c(Br)cc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001454407792 1066279930 /nfs/dbraw/zinc/27/99/30/1066279930.db2.gz RQTMLKIBLDVNBU-LIRRHRJNSA-N 1 1 451.792 4.752 20 0 JJADMO CC[C@@H](C(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1)c1ccc(Br)cc1 ZINC001454450468 1066283508 /nfs/dbraw/zinc/28/35/08/1066283508.db2.gz OVULUMDHUXKDQO-JOCHJYFZSA-N 1 1 452.396 4.835 20 0 JJADMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2csc([C@@H]3CCCO3)n2)CC1 ZINC001443270937 1066288572 /nfs/dbraw/zinc/28/85/72/1066288572.db2.gz ZTYQZCRNXVRERI-IBGZPJMESA-N 1 1 453.530 4.750 20 0 JJADMO CC[C@@H]1Oc2cc([C@H](C)NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3CC(C)C)ccc2NC1=O ZINC001361056714 1066296977 /nfs/dbraw/zinc/29/69/77/1066296977.db2.gz AEOSHHQPFPHXHK-JECRDHHXSA-N 1 1 463.622 4.768 20 0 JJADMO Cc1cc(CN(C)c2nnc(Cc3ccccc3C)n2CCCC[N@@H+]2CCC[C@@H](C)C2)no1 ZINC001361063095 1066302206 /nfs/dbraw/zinc/30/22/06/1066302206.db2.gz DXLWVTLARNYOTK-HXUWFJFHSA-N 1 1 450.631 4.622 20 0 JJADMO COc1ccc([C@@H]2CN(C(=O)c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)CC[NH2+]2)cc1 ZINC001454589930 1066305850 /nfs/dbraw/zinc/30/58/50/1066305850.db2.gz YOYAUWOKFLAORC-NRFANRHFSA-N 1 1 457.452 4.688 20 0 JJADMO CC[NH+]1CCN(CCCCNC(=O)c2ccc(F)cc2-c2ccc(Cl)c(Cl)c2)CC1 ZINC001443431467 1066310979 /nfs/dbraw/zinc/31/09/79/1066310979.db2.gz PNTJYPKBCQYNLJ-UHFFFAOYSA-N 1 1 452.401 4.947 20 0 JJADMO CC[C@]1(C)CCN(c2nnc(-c3cc(Br)cn3C)n2CCCCn2cc[nH+]c2C)C1 ZINC001546064637 1066322554 /nfs/dbraw/zinc/32/25/54/1066322554.db2.gz SYHAWPOZFTWRBK-JOCHJYFZSA-N 1 1 474.451 4.658 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N(C)[C@H]2CCSC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001361087302 1066326306 /nfs/dbraw/zinc/32/63/06/1066326306.db2.gz GHAFGVUJAFWPLR-CTNGQTDRSA-N 1 1 478.106 4.678 20 0 JJADMO CC1(C)CN(C(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001443550286 1066328618 /nfs/dbraw/zinc/32/86/18/1066328618.db2.gz LMTIXIUSOSLUFX-UHFFFAOYSA-N 1 1 456.512 4.687 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@@H](C)C2)n1CC[N@@H+]1CC=CCC1 ZINC001361088104 1066329425 /nfs/dbraw/zinc/32/94/25/1066329425.db2.gz FTNDZOHLLNSJJR-HXUWFJFHSA-N 1 1 458.050 4.750 20 0 JJADMO CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@]3(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C3)c2C1 ZINC001546065158 1066331956 /nfs/dbraw/zinc/33/19/56/1066331956.db2.gz GKGHAEFJTWXCOX-QFIPXVFZSA-N 1 1 455.521 4.786 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@H](C)C2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001361088997 1066333884 /nfs/dbraw/zinc/33/38/84/1066333884.db2.gz OPHAKLIKNWJTSC-AZUAARDMSA-N 1 1 460.066 4.971 20 0 JJADMO O=C(Cc1csc(-c2sccc2Br)n1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001361089752 1066337882 /nfs/dbraw/zinc/33/78/82/1066337882.db2.gz BOXKSTROFHLEQQ-AWEZNQCLSA-N 1 1 454.459 4.557 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCS[C@@H](C)C1 ZINC001361090188 1066338549 /nfs/dbraw/zinc/33/85/49/1066338549.db2.gz CEOUSMDTNJVJRV-IBGZPJMESA-N 1 1 489.089 4.788 20 0 JJADMO CCOc1ccc(Br)cc1CN(C(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC001443623616 1066338764 /nfs/dbraw/zinc/33/87/64/1066338764.db2.gz ZYQJFUGCEKGGRP-QGZVFWFLSA-N 1 1 457.412 4.786 20 0 JJADMO CCOc1ccc(Br)cc1CN(C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)C1CC1 ZINC001443623616 1066338780 /nfs/dbraw/zinc/33/87/80/1066338780.db2.gz ZYQJFUGCEKGGRP-QGZVFWFLSA-N 1 1 457.412 4.786 20 0 JJADMO CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001546066093 1066339318 /nfs/dbraw/zinc/33/93/18/1066339318.db2.gz GTOABWWCIJIQQM-BCHFMIIMSA-N 1 1 455.647 4.850 20 0 JJADMO Cc1ccc2nc(COc3cccc(C(=O)NCc4cccc(C[N@H+](C)C(C)C)c4)c3)cn2c1 ZINC001443638962 1066342776 /nfs/dbraw/zinc/34/27/76/1066342776.db2.gz CXVOMCYQXFIBEG-UHFFFAOYSA-N 1 1 456.590 4.992 20 0 JJADMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)c1 ZINC001443649514 1066344595 /nfs/dbraw/zinc/34/45/95/1066344595.db2.gz ZZTFTLRGCCYBFM-UHFFFAOYSA-N 1 1 457.640 4.812 20 0 JJADMO Cc1ccc(C)c(-n2ccnc2SCC(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)c1 ZINC001443704307 1066354424 /nfs/dbraw/zinc/35/44/24/1066354424.db2.gz SEAHMNNYPJWYHD-FQEVSTJZSA-N 1 1 450.608 4.613 20 0 JJADMO CC[C@]1(C)CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001546068603 1066359878 /nfs/dbraw/zinc/35/98/78/1066359878.db2.gz SILLYVGBILBSJQ-YADARESESA-N 1 1 490.490 4.691 20 0 JJADMO Cc1cccc(OCCN(C)c2nnc(-c3ccccn3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001361112021 1066362845 /nfs/dbraw/zinc/36/28/45/1066362845.db2.gz JNCJWIQSPHQJMQ-QFIPXVFZSA-N 1 1 462.642 4.674 20 0 JJADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccccc1NC(=O)c1cccc(Br)c1 ZINC001443765450 1066363704 /nfs/dbraw/zinc/36/37/04/1066363704.db2.gz USVQYNRSFVVHGO-LJQANCHMSA-N 1 1 458.400 4.696 20 0 JJADMO CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C)Oc1cccc(F)c1 ZINC001545962368 1066367945 /nfs/dbraw/zinc/36/79/45/1066367945.db2.gz BIQNLEAADXVTHR-DBXWQHBBSA-N 1 1 455.578 4.762 20 0 JJADMO C/C(=C/C(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1ccccc1)C[C@@H](C)O2)c1ccccc1OC(F)F ZINC001455213067 1066371133 /nfs/dbraw/zinc/37/11/33/1066371133.db2.gz SYCYRSFAJUROSX-PYPBYZRNSA-N 1 1 456.533 4.583 20 0 JJADMO C/C(=C/C(=O)N1CC[C@@]2(C1)C[N@H+](Cc1ccccc1)C[C@@H](C)O2)c1ccccc1OC(F)F ZINC001455213067 1066371148 /nfs/dbraw/zinc/37/11/48/1066371148.db2.gz SYCYRSFAJUROSX-PYPBYZRNSA-N 1 1 456.533 4.583 20 0 JJADMO C/C(=C\C(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1ccccc1)C[C@@H](C)O2)c1ccccc1OC(F)F ZINC001455213062 1066371182 /nfs/dbraw/zinc/37/11/82/1066371182.db2.gz SYCYRSFAJUROSX-GWDCTCGTSA-N 1 1 456.533 4.583 20 0 JJADMO C/C(=C\C(=O)N1CC[C@@]2(C1)C[N@H+](Cc1ccccc1)C[C@@H](C)O2)c1ccccc1OC(F)F ZINC001455213062 1066371193 /nfs/dbraw/zinc/37/11/93/1066371193.db2.gz SYCYRSFAJUROSX-GWDCTCGTSA-N 1 1 456.533 4.583 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H]2CCC=CO2)c1 ZINC001361128004 1066390646 /nfs/dbraw/zinc/39/06/46/1066390646.db2.gz QSGRHROEOCCJNN-QHCPKHFHSA-N 1 1 467.658 4.902 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H]3C(C)C)n2CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC001361128529 1066392485 /nfs/dbraw/zinc/39/24/85/1066392485.db2.gz YNSXEDDQONGZOD-RUZDIDTESA-N 1 1 496.744 4.940 20 0 JJADMO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCCCC1 ZINC001455493879 1066397449 /nfs/dbraw/zinc/39/74/49/1066397449.db2.gz BSLUQSVQSAVAGJ-DENIHFKCSA-N 1 1 451.586 4.985 20 0 JJADMO Cc1ccc([C@@H](C)Cn2c(CC3CCCC3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001361135088 1066408511 /nfs/dbraw/zinc/40/85/11/1066408511.db2.gz PDOUZOFLYHLBED-QHCPKHFHSA-N 1 1 467.702 4.918 20 0 JJADMO O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(OCc2ccccn2)cc1 ZINC001444124420 1066409436 /nfs/dbraw/zinc/40/94/36/1066409436.db2.gz AACBYFLDXWZVCJ-OAQYLSRUSA-N 1 1 455.480 4.684 20 0 JJADMO O=C(CCC(=O)c1ccc2c(c1)CCCC2)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001444130340 1066410728 /nfs/dbraw/zinc/41/07/28/1066410728.db2.gz IIZPDVJPPAZBEB-HSZRJFAPSA-N 1 1 458.524 4.938 20 0 JJADMO O=C(CCC(=O)c1ccc2c(c1)CCCC2)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001444130340 1066410733 /nfs/dbraw/zinc/41/07/33/1066410733.db2.gz IIZPDVJPPAZBEB-HSZRJFAPSA-N 1 1 458.524 4.938 20 0 JJADMO CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)OC ZINC001545964606 1066410995 /nfs/dbraw/zinc/41/09/95/1066410995.db2.gz HLPXYMJPMUKGJP-HSZRJFAPSA-N 1 1 483.060 4.767 20 0 JJADMO C[C@H]1C[NH+](Cc2ccc(C(=O)Oc3ccc(N(C)C(=O)OC(C)(C)C)cc3)cc2)C[C@H](C)O1 ZINC001361140637 1066418794 /nfs/dbraw/zinc/41/87/94/1066418794.db2.gz CGRBRPPTPYMAFP-OALUTQOASA-N 1 1 454.567 4.886 20 0 JJADMO Cc1cc(C)c(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1I ZINC001444163058 1066422362 /nfs/dbraw/zinc/42/23/62/1066422362.db2.gz FJCFOLPSMUNKMO-ROUUACIJSA-N 1 1 454.396 4.635 20 0 JJADMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CCc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC001444164961 1066423629 /nfs/dbraw/zinc/42/36/29/1066423629.db2.gz HRVBPHNKINHPQX-ZWKOTPCHSA-N 1 1 450.649 4.536 20 0 JJADMO CC(C)c1ccc(-n2cnnc2SCC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC001444169406 1066424844 /nfs/dbraw/zinc/42/48/44/1066424844.db2.gz MGPGKUZVGFRYEV-NHCUHLMSSA-N 1 1 455.672 4.596 20 0 JJADMO CC[C@]1(C)CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC001546075958 1066429889 /nfs/dbraw/zinc/42/98/89/1066429889.db2.gz YYWNZFNUFCNENI-RCZVLFRGSA-N 1 1 453.034 4.847 20 0 JJADMO Cc1ncsc1CN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001361145845 1066430231 /nfs/dbraw/zinc/43/02/31/1066430231.db2.gz LAPKFHKQXVUNKZ-HSZRJFAPSA-N 1 1 482.698 4.996 20 0 JJADMO CC(C)(C)OC(=O)N[C@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1(C)C ZINC001455806823 1066434476 /nfs/dbraw/zinc/43/44/76/1066434476.db2.gz ZIFUNTKPEHFWMN-VXNXHJTFSA-N 1 1 469.670 4.687 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)CC3CC(F)C3)n2CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001361148433 1066435352 /nfs/dbraw/zinc/43/53/52/1066435352.db2.gz KMXLUUNRYRGOBO-UVKLAMSESA-N 1 1 457.638 4.923 20 0 JJADMO C[N@@H+](CCOc1ccccc1)Cc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 ZINC001455812073 1066435720 /nfs/dbraw/zinc/43/57/20/1066435720.db2.gz TYVXVZCBRXXJDV-UHFFFAOYSA-N 1 1 457.574 4.572 20 0 JJADMO Cc1cccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1NC(=O)c1ccncc1 ZINC001444298446 1066444821 /nfs/dbraw/zinc/44/48/21/1066444821.db2.gz NMXPUEHADZBNLV-QPPBQGQZSA-N 1 1 456.590 4.767 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](C)CC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361156302 1066458013 /nfs/dbraw/zinc/45/80/13/1066458013.db2.gz SEWNOJPHAFKQFY-HUVFLSCGSA-N 1 1 469.674 4.600 20 0 JJADMO C[C@H](NC(=O)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1)[C@H]1C[N@@H+](C)CCN1C ZINC001444401639 1066458195 /nfs/dbraw/zinc/45/81/95/1066458195.db2.gz DIPMSLRSKNSSMW-NYSBEXSLSA-N 1 1 452.451 4.577 20 0 JJADMO C[C@@H]1[C@@H](NC(=O)c2ccccc2SCC(=O)Nc2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC001455953847 1066459428 /nfs/dbraw/zinc/45/94/28/1066459428.db2.gz WZBAIIZZPMICAY-ACJLOTCBSA-N 1 1 452.407 4.547 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCCO[C@H](C)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361158977 1066462656 /nfs/dbraw/zinc/46/26/56/1066462656.db2.gz KUILTYIKZQVUGB-FYYLOGMGSA-N 1 1 469.674 4.600 20 0 JJADMO CC(C)(C)OC(=O)/C=C\c1cc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)co1 ZINC001361161458 1066467052 /nfs/dbraw/zinc/46/70/52/1066467052.db2.gz YVWFAUNRPUWJMT-UZFIPDPJSA-N 1 1 450.579 4.763 20 0 JJADMO Cc1cc(C)cc(-n2nc(-c3ccc(Br)o3)cc2NC(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC001444502340 1066468879 /nfs/dbraw/zinc/46/88/79/1066468879.db2.gz JERRVEJXXLRTRS-SFHVURJKSA-N 1 1 457.372 4.934 20 0 JJADMO Cc1cc(C)cc(-n2nc(-c3ccc(Br)o3)cc2NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001444502340 1066468882 /nfs/dbraw/zinc/46/88/82/1066468882.db2.gz JERRVEJXXLRTRS-SFHVURJKSA-N 1 1 457.372 4.934 20 0 JJADMO Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)sc2c1 ZINC001455993828 1066469079 /nfs/dbraw/zinc/46/90/79/1066469079.db2.gz VPMMOHIRUCKOLM-GOSISDBHSA-N 1 1 452.624 4.886 20 0 JJADMO Cc1cc(C)c(C(=O)Nc2ccc3nc(N4CC[NH+](C)CC4)sc3c2)cc1Br ZINC001455995448 1066469156 /nfs/dbraw/zinc/46/91/56/1066469156.db2.gz YHIBOIAAVCUYMF-UHFFFAOYSA-N 1 1 459.413 4.680 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCS[C@H](C)C3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361162398 1066470083 /nfs/dbraw/zinc/47/00/83/1066470083.db2.gz BFKXXJGWWMNVBC-FYYLOGMGSA-N 1 1 471.715 4.928 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001361162861 1066470814 /nfs/dbraw/zinc/47/08/14/1066470814.db2.gz SRPDREVDYFXDEP-HHHXNRCGSA-N 1 1 471.690 4.846 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCSC(C)(C)C3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361164046 1066474178 /nfs/dbraw/zinc/47/41/78/1066474178.db2.gz UFILFCMVLJRUDT-IRLDBZIGSA-N 1 1 471.715 4.926 20 0 JJADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 ZINC001444557307 1066474809 /nfs/dbraw/zinc/47/48/09/1066474809.db2.gz RTDUKQNHAPZZOK-NEKDWFFYSA-N 1 1 450.623 4.772 20 0 JJADMO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1 ZINC001456017602 1066475547 /nfs/dbraw/zinc/47/55/47/1066475547.db2.gz KQBIYCVLEIPCBL-KAYWLYCHSA-N 1 1 455.602 4.716 20 0 JJADMO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1 ZINC001456017602 1066475556 /nfs/dbraw/zinc/47/55/56/1066475556.db2.gz KQBIYCVLEIPCBL-KAYWLYCHSA-N 1 1 455.602 4.716 20 0 JJADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC001361164585 1066475669 /nfs/dbraw/zinc/47/56/69/1066475669.db2.gz AOCIYMJQCVERMO-NRFANRHFSA-N 1 1 456.030 4.596 20 0 JJADMO C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2CCNC(=O)OC(C)(C)C)[C@H]1c1cccs1 ZINC001444566647 1066477164 /nfs/dbraw/zinc/47/71/64/1066477164.db2.gz LSRBPZSPCNIPJF-KNQAVFIVSA-N 1 1 457.640 4.628 20 0 JJADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001361166800 1066478523 /nfs/dbraw/zinc/47/85/23/1066478523.db2.gz ZXWCKYQQKOQCPR-SHQCIBLASA-N 1 1 455.602 4.528 20 0 JJADMO CC[N@H+]1CC[C@H](N(C)C(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)C[C@H]1C ZINC001444614547 1066483646 /nfs/dbraw/zinc/48/36/46/1066483646.db2.gz KJNZAWABGGQZKL-QUCCMNQESA-N 1 1 455.002 4.600 20 0 JJADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)C[C@@H]1C ZINC001444618918 1066484911 /nfs/dbraw/zinc/48/49/11/1066484911.db2.gz QSAJSBSTININAI-ZFWWWQNUSA-N 1 1 456.427 4.514 20 0 JJADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)C[C@@H]1C ZINC001444622560 1066485045 /nfs/dbraw/zinc/48/50/45/1066485045.db2.gz XXYJGNVZPAIDPQ-KKSFZXQISA-N 1 1 458.400 4.646 20 0 JJADMO Cc1ccc(-c2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2CC2CCN(CC[NH+](C)C)CC2)o1 ZINC001361170153 1066484996 /nfs/dbraw/zinc/48/49/96/1066484996.db2.gz MLFZLKMTQZXBRX-LJQANCHMSA-N 1 1 486.611 4.596 20 0 JJADMO Cc1ccc(-c2nnc(N(C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)n2CCSC(F)(F)F)o1 ZINC001361170088 1066485256 /nfs/dbraw/zinc/48/52/56/1066485256.db2.gz FBULGFIOECYDRD-SFHVURJKSA-N 1 1 465.545 4.810 20 0 JJADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)/C=C/c3cnc(C(C)(C)C)s3)CC2)c1C ZINC001456038855 1066487088 /nfs/dbraw/zinc/48/70/88/1066487088.db2.gz OIHRRWNVFZPNHZ-CMDGGOBGSA-N 1 1 456.656 4.597 20 0 JJADMO Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccccc3C)n2CCCC[N@H+]2CCC[C@H]2CO)o1 ZINC001361171507 1066487255 /nfs/dbraw/zinc/48/72/55/1066487255.db2.gz VMPHCRPFCPHCNV-YADHBBJMSA-N 1 1 451.615 4.589 20 0 JJADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)CCCc3ccc(SC)cc3)CC2)c1C ZINC001456040356 1066487809 /nfs/dbraw/zinc/48/78/09/1066487809.db2.gz UDWUDLRHTCUKSJ-UHFFFAOYSA-N 1 1 455.668 4.875 20 0 JJADMO COC(=O)C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccc(C(C)(C)C)cc1 ZINC001444660396 1066489351 /nfs/dbraw/zinc/48/93/51/1066489351.db2.gz DXVPDAGYRACGQO-XUZZJYLKSA-N 1 1 454.586 4.756 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CC(F)(F)F)n2C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)o1 ZINC001361175575 1066493510 /nfs/dbraw/zinc/49/35/10/1066493510.db2.gz RNTANRHFTIBPCZ-QAPCUYQASA-N 1 1 453.534 4.990 20 0 JJADMO Cc1ccc(-c2nnc(N(C)C[C@@H](C)c3ccccc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001361175996 1066494468 /nfs/dbraw/zinc/49/44/68/1066494468.db2.gz ZWDGAYRYZJLPHY-FCEUIQTBSA-N 1 1 451.615 4.586 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCC3CC3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1Br ZINC001361187510 1066512442 /nfs/dbraw/zinc/51/24/42/1066512442.db2.gz UYAYLYCDSXFIIV-KRWDZBQOSA-N 1 1 460.464 4.984 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CC(C)(C)c2ccc(F)cc2)o1 ZINC001361188021 1066512985 /nfs/dbraw/zinc/51/29/85/1066512985.db2.gz KOBNREPIXLMVES-UHFFFAOYSA-N 1 1 469.605 4.510 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CC(C)(C)c2ccc(F)cc2)o1 ZINC001361188021 1066512996 /nfs/dbraw/zinc/51/29/96/1066512996.db2.gz KOBNREPIXLMVES-UHFFFAOYSA-N 1 1 469.605 4.510 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2Cc2cscc2C(F)(F)F)o1 ZINC001361187673 1066513229 /nfs/dbraw/zinc/51/32/29/1066513229.db2.gz BCBNOVLZXGMUFC-IYBDPMFKSA-N 1 1 483.560 4.521 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2Cc2cscc2C(F)(F)F)o1 ZINC001361187673 1066513236 /nfs/dbraw/zinc/51/32/36/1066513236.db2.gz BCBNOVLZXGMUFC-IYBDPMFKSA-N 1 1 483.560 4.521 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCOc3ccccc3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)o1 ZINC001361190575 1066515673 /nfs/dbraw/zinc/51/56/73/1066515673.db2.gz LTSCJZBUYUQMHZ-JOCHJYFZSA-N 1 1 451.615 4.730 20 0 JJADMO COc1ccc(-c2nc(C(=O)N3CC[C@@H](C)[N@@H+](Cc4ccccc4)CC3)cs2)cc1OC ZINC001444897711 1066516926 /nfs/dbraw/zinc/51/69/26/1066516926.db2.gz YATYESCTKGOQNF-GOSISDBHSA-N 1 1 451.592 4.564 20 0 JJADMO CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001444894887 1066517060 /nfs/dbraw/zinc/51/70/60/1066517060.db2.gz TZCPZOJBVYQHEV-HYBUGGRVSA-N 1 1 456.030 4.608 20 0 JJADMO Cc1ccc(-c2nnc(N(CC(C)C)C(C)C)n2CC[N@@H+]2CCOCC2(C)C)cc1Br ZINC001361191411 1066518134 /nfs/dbraw/zinc/51/81/34/1066518134.db2.gz SBDKJPHKRGOVHS-UHFFFAOYSA-N 1 1 492.506 4.998 20 0 JJADMO Cc1ccc(-c2nnc(N(CC(C)C)C(C)C)n2CC[N@H+]2CCOCC2(C)C)cc1Br ZINC001361191411 1066518146 /nfs/dbraw/zinc/51/81/46/1066518146.db2.gz SBDKJPHKRGOVHS-UHFFFAOYSA-N 1 1 492.506 4.998 20 0 JJADMO Cc1ccc(-c2nnc(N(Cc3ccc(F)cc3)C(C)C)n2CC[N@@H+]2CCOCC2(C)C)o1 ZINC001361191574 1066518880 /nfs/dbraw/zinc/51/88/80/1066518880.db2.gz YVUUKMFPHHXPRU-UHFFFAOYSA-N 1 1 455.578 4.511 20 0 JJADMO Cc1ccc(-c2nnc(N(Cc3ccc(F)cc3)C(C)C)n2CC[N@H+]2CCOCC2(C)C)o1 ZINC001361191574 1066518886 /nfs/dbraw/zinc/51/88/86/1066518886.db2.gz YVUUKMFPHHXPRU-UHFFFAOYSA-N 1 1 455.578 4.511 20 0 JJADMO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)NCc2sncc2Br)c1 ZINC001456150188 1066523399 /nfs/dbraw/zinc/52/33/99/1066523399.db2.gz AZHOYGYVZZGTNK-VQTJNVASSA-N 1 1 470.436 4.746 20 0 JJADMO Cc1ccc(-c2nnc(N3C[C@H](C)C[C@H](C)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1Br ZINC001361196230 1066523502 /nfs/dbraw/zinc/52/35/02/1066523502.db2.gz MESZAINUYBGGSS-SCTDSRPQSA-N 1 1 460.464 4.983 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2CCCCn2cc[nH+]c2C)o1 ZINC001361199186 1066528184 /nfs/dbraw/zinc/52/81/84/1066528184.db2.gz ACERESVVUXIIFF-PZJWPPBQSA-N 1 1 497.644 4.571 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)o1 ZINC001361200461 1066531013 /nfs/dbraw/zinc/53/10/13/1066531013.db2.gz WZIXTIIKCLDRFW-UUOWRZLLSA-N 1 1 497.606 4.888 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[C@H](C)[C@H]3C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC001361201878 1066531762 /nfs/dbraw/zinc/53/17/62/1066531762.db2.gz JGTLGERFRRNDQE-IJXRJRJASA-N 1 1 490.490 4.750 20 0 JJADMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccccc3CNC(=O)OC(C)(C)C)cc2)C1 ZINC001445049556 1066533793 /nfs/dbraw/zinc/53/37/93/1066533793.db2.gz PEBKKQXXBBZDLJ-IBGZPJMESA-N 1 1 453.583 4.684 20 0 JJADMO C[N@@H+](CCCOc1ccccc1CNC(=O)[C@@H]1CSC(c2ccccc2)=N1)C1CCCC1 ZINC001445054565 1066534752 /nfs/dbraw/zinc/53/47/52/1066534752.db2.gz IRLMEXGMRQUIOQ-QHCPKHFHSA-N 1 1 451.636 4.508 20 0 JJADMO Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc12 ZINC001445054894 1066534772 /nfs/dbraw/zinc/53/47/72/1066534772.db2.gz PAFVGKNXIFUWKP-LRDDRELGSA-N 1 1 451.423 4.974 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001445086820 1066537912 /nfs/dbraw/zinc/53/79/12/1066537912.db2.gz YAYATGGDLGLZAG-OBTVHEKISA-N 1 1 455.643 4.585 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001445086836 1066538539 /nfs/dbraw/zinc/53/85/39/1066538539.db2.gz YAYATGGDLGLZAG-QHWMMSMNSA-N 1 1 455.643 4.585 20 0 JJADMO COc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1Br ZINC001456215729 1066539041 /nfs/dbraw/zinc/53/90/41/1066539041.db2.gz AGEPMOZHIGPNGA-LEWJYISDSA-N 1 1 466.379 4.707 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC001445101212 1066539651 /nfs/dbraw/zinc/53/96/51/1066539651.db2.gz ZPULSSZMEZZTRN-RQNQAMLKSA-N 1 1 467.629 4.512 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H](c2ccccc2Cl)N(C)C)o1 ZINC001361207435 1066540187 /nfs/dbraw/zinc/54/01/87/1066540187.db2.gz SVLPWYWASSEFGP-QFIPXVFZSA-N 1 1 471.049 4.770 20 0 JJADMO CCC[N@@H+](CC)CCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001445164616 1066541912 /nfs/dbraw/zinc/54/19/12/1066541912.db2.gz WVPVOYHSPFSIKM-UHFFFAOYSA-N 1 1 455.400 4.764 20 0 JJADMO CC[C@@]1(C)CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC001546080930 1066545312 /nfs/dbraw/zinc/54/53/12/1066545312.db2.gz FRKLYEJYQLTTBI-DPZBCOQUSA-N 1 1 469.674 4.517 20 0 JJADMO CC[C@]1(C)CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC001546080931 1066545662 /nfs/dbraw/zinc/54/56/62/1066545662.db2.gz FRKLYEJYQLTTBI-NLJOTIRTSA-N 1 1 469.674 4.517 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC001361213918 1066549129 /nfs/dbraw/zinc/54/91/29/1066549129.db2.gz DSOINUCLSMLKFQ-NQIIRXRSSA-N 1 1 491.558 4.915 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC001361213920 1066549157 /nfs/dbraw/zinc/54/91/57/1066549157.db2.gz DSOINUCLSMLKFQ-WIYYLYMNSA-N 1 1 491.558 4.915 20 0 JJADMO COc1cc(C)c([C@H](C)NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1OC ZINC001456267323 1066550259 /nfs/dbraw/zinc/55/02/59/1066550259.db2.gz LOVNAASOWXFEBT-KSNOWIBYSA-N 1 1 459.590 4.500 20 0 JJADMO CCC(C)(C)c1ccc(OCCCC(=O)N2CCN(C)CC[N@@H+](C)CC2)c(C(C)(C)CC)c1 ZINC001456269125 1066550680 /nfs/dbraw/zinc/55/06/80/1066550680.db2.gz MFJHYTDRNLGQKO-UHFFFAOYSA-N 1 1 459.719 4.927 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCc2csc(C(C)C)n2)o1 ZINC001361216883 1066552601 /nfs/dbraw/zinc/55/26/01/1066552601.db2.gz AGZJBLFEMBTLMH-UHFFFAOYSA-N 1 1 456.660 4.980 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@@H]2CC=CCO2)cc1Br ZINC001361218200 1066554413 /nfs/dbraw/zinc/55/44/13/1066554413.db2.gz PKPYJWJILDSCSR-FQEVSTJZSA-N 1 1 488.474 4.672 20 0 JJADMO Cc1cc(C(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)nn1-c1ccccc1 ZINC001361220265 1066557279 /nfs/dbraw/zinc/55/72/79/1066557279.db2.gz LCPCUUAMXOWDRN-NRFANRHFSA-N 1 1 456.512 4.707 20 0 JJADMO COc1cc(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 ZINC001445337101 1066558829 /nfs/dbraw/zinc/55/88/29/1066558829.db2.gz KEYJLXGTZSJXRP-UHFFFAOYSA-N 1 1 456.945 4.929 20 0 JJADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)[C@H](C)C1 ZINC001456302713 1066559159 /nfs/dbraw/zinc/55/91/59/1066559159.db2.gz NGAZPYHHXOVBSH-RDTXWAMCSA-N 1 1 456.439 4.984 20 0 JJADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)[C@H](C)C1 ZINC001456306356 1066560267 /nfs/dbraw/zinc/56/02/67/1066560267.db2.gz ZWHAELOKFOZUGG-WIYYLYMNSA-N 1 1 454.640 4.571 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCS[C@@H](C)C1 ZINC001361230947 1066570476 /nfs/dbraw/zinc/57/04/76/1066570476.db2.gz HHZOJGUBEIKYQF-INIZCTEOSA-N 1 1 475.460 4.553 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC001445524438 1066581531 /nfs/dbraw/zinc/58/15/31/1066581531.db2.gz OKBXGSREBVHVJN-NOTUOJBMSA-N 1 1 455.643 4.537 20 0 JJADMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)C1 ZINC001456422179 1066582030 /nfs/dbraw/zinc/58/20/30/1066582030.db2.gz CJWPZDUABSHPBN-RUZDIDTESA-N 1 1 456.537 4.961 20 0 JJADMO Cc1ccc([C@H]2OCCC[C@@H]2Cn2c(CC(C)(C)C)nnc2N2CC[NH+](CCOC(C)C)CC2)cc1 ZINC001361240940 1066582651 /nfs/dbraw/zinc/58/26/51/1066582651.db2.gz ZCSJWZZWWCPNKW-XNMGPUDCSA-N 1 1 497.728 4.890 20 0 JJADMO CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nc1 ZINC001445531741 1066583602 /nfs/dbraw/zinc/58/36/02/1066583602.db2.gz ZJZLZSMMRSDEIW-NZQKXSOJSA-N 1 1 450.583 4.555 20 0 JJADMO CC(=O)c1cccc(OCc2cc(C(=O)N3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)no2)c1 ZINC001445564846 1066588234 /nfs/dbraw/zinc/58/82/34/1066588234.db2.gz GBPRUPTWEBCBPB-IBGZPJMESA-N 1 1 453.583 4.573 20 0 JJADMO COc1ccc(-c2nc(C(=O)N3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)cs2)cc1OC ZINC001445570639 1066589085 /nfs/dbraw/zinc/58/90/85/1066589085.db2.gz UIFBMCSWNCFFFD-SFHVURJKSA-N 1 1 457.640 4.944 20 0 JJADMO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)Nc2ccc(S(C)(=O)=O)cc2C)c1 ZINC001456450203 1066590117 /nfs/dbraw/zinc/59/01/17/1066590117.db2.gz WORUNARCCIMRRN-LOSJGSFVSA-N 1 1 462.615 4.561 20 0 JJADMO Cc1ccc(CN(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC[N@H+]2CCCO[C@H](C)C2)o1 ZINC001361248196 1066591215 /nfs/dbraw/zinc/59/12/15/1066591215.db2.gz IFSVVKLGGDPCAM-RTWAWAEBSA-N 1 1 485.604 4.596 20 0 JJADMO Cc1ccc(CN(C)c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)o1 ZINC001361248192 1066591407 /nfs/dbraw/zinc/59/14/07/1066591407.db2.gz IFSVVKLGGDPCAM-LEWJYISDSA-N 1 1 485.604 4.596 20 0 JJADMO Cc1ccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC001361249791 1066594100 /nfs/dbraw/zinc/59/41/00/1066594100.db2.gz FWHGOUARHHVFEX-YZIHRLCOSA-N 1 1 489.730 4.693 20 0 JJADMO Cc1ccc(CN(C)c2nnc(-c3ccc(Br)s3)n2CCn2cc[nH+]c2C)s1 ZINC001361249861 1066594519 /nfs/dbraw/zinc/59/45/19/1066594519.db2.gz HXKPMQTWQYJWAJ-UHFFFAOYSA-N 1 1 477.457 4.981 20 0 JJADMO Cc1cccc(C)c1OC[C@@H](NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccccc1 ZINC001445603835 1066594466 /nfs/dbraw/zinc/59/44/66/1066594466.db2.gz FZAVFJDTJWNLKR-HHHXNRCGSA-N 1 1 457.618 4.601 20 0 JJADMO Cc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)o1 ZINC001361250030 1066595815 /nfs/dbraw/zinc/59/58/15/1066595815.db2.gz OGURQSOENMWFBO-HOTGVXAUSA-N 1 1 475.435 4.694 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)COc1ccc2ccccc2c1Br ZINC001456489457 1066597354 /nfs/dbraw/zinc/59/73/54/1066597354.db2.gz QUXYUQREEULSGZ-GOSISDBHSA-N 1 1 453.380 4.714 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)COc1ccc2ccccc2c1Br ZINC001456489457 1066597367 /nfs/dbraw/zinc/59/73/67/1066597367.db2.gz QUXYUQREEULSGZ-GOSISDBHSA-N 1 1 453.380 4.714 20 0 JJADMO Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[NH+]2CCOCC2)s1 ZINC001361251535 1066599533 /nfs/dbraw/zinc/59/95/33/1066599533.db2.gz WCKIDLKESYYFJO-UHFFFAOYSA-N 1 1 480.465 4.981 20 0 JJADMO Cc1ccc(CN(C)c2nnc(Cc3ccccn3)n2Cc2ccccc2C[N@H+](C)C(C)C)o1 ZINC001361258656 1066608384 /nfs/dbraw/zinc/60/83/84/1066608384.db2.gz ZAULDSGSPXRJMU-UHFFFAOYSA-N 1 1 458.610 4.690 20 0 JJADMO Cc1ccc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CC[N@@H+]2CCC[C@@H]2C)s1 ZINC001361261061 1066611677 /nfs/dbraw/zinc/61/16/77/1066611677.db2.gz FVDKNRVSEKELLX-FQEVSTJZSA-N 1 1 453.656 4.965 20 0 JJADMO Cc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+](C)Cc2ccccc2)o1 ZINC001361261875 1066614871 /nfs/dbraw/zinc/61/48/71/1066614871.db2.gz ZMPZJINLCOLCNS-DNQXCXABSA-N 1 1 465.642 4.867 20 0 JJADMO C[C@H]1C[C@H](NC(=O)c2ccc(Br)c(OC(F)(F)F)c2)C[N@H+]1Cc1ccccc1 ZINC001445784965 1066616823 /nfs/dbraw/zinc/61/68/23/1066616823.db2.gz GONWHNAKJPQGOI-BBRMVZONSA-N 1 1 457.290 4.741 20 0 JJADMO C[C@H]1C[C@@H](N(C)C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)CC[N@H+]1Cc1ccccc1 ZINC001456553915 1066623839 /nfs/dbraw/zinc/62/38/39/1066623839.db2.gz QQSQWQONPIFDEH-AVRDEDQJSA-N 1 1 452.986 4.834 20 0 JJADMO Cc1c(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001456562413 1066625750 /nfs/dbraw/zinc/62/57/50/1066625750.db2.gz PZUUCDFMBQHYEC-SFHVURJKSA-N 1 1 456.512 4.936 20 0 JJADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3ccc(-c4ccccc4Cl)o3)cc2)CC1 ZINC001361276399 1066633962 /nfs/dbraw/zinc/63/39/62/1066633962.db2.gz AYYIIPUHQQADEL-UHFFFAOYSA-N 1 1 451.954 4.559 20 0 JJADMO Cc1ccc(NC(=O)c2nnc(N3CCC=C(C)C3)n2CCCC[N@@H+]2CCCC[C@@H]2C)cc1C ZINC001492607632 1066667309 /nfs/dbraw/zinc/66/73/09/1066667309.db2.gz BTTGAUMNTPLUFH-QHCPKHFHSA-N 1 1 464.658 4.958 20 0 JJADMO Cc1ccnc(OC2CCN(c3nnc(CC(C)C)n3C[C@H](C)[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC001492607909 1066667729 /nfs/dbraw/zinc/66/77/29/1066667729.db2.gz JSEKPTOUYCQKIT-QHCPKHFHSA-N 1 1 476.669 4.748 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC=C(C)C1 ZINC001492610258 1066671795 /nfs/dbraw/zinc/67/17/95/1066671795.db2.gz NHAJWDLOXBBBRU-UHFFFAOYSA-N 1 1 473.394 4.988 20 0 JJADMO C[N@@H+]1CC[C@@H](NC(=O)COc2ccc3cc(Br)ccc3c2)[C@@H]1c1ccc(F)cc1 ZINC001446190512 1066672578 /nfs/dbraw/zinc/67/25/78/1066672578.db2.gz KCYDSBNBTLBQIW-GGAORHGYSA-N 1 1 457.343 4.682 20 0 JJADMO C[N@H+]1CC[C@@H](NC(=O)COc2ccc3cc(Br)ccc3c2)[C@@H]1c1ccc(F)cc1 ZINC001446190512 1066672583 /nfs/dbraw/zinc/67/25/83/1066672583.db2.gz KCYDSBNBTLBQIW-GGAORHGYSA-N 1 1 457.343 4.682 20 0 JJADMO CC[N@H+]1CCN(C(=O)Cc2sc(Nc3ccccc3OC)nc2-c2ccccc2)C[C@H]1C ZINC001446198065 1066674979 /nfs/dbraw/zinc/67/49/79/1066674979.db2.gz UAXQEXRXWYPEQK-GOSISDBHSA-N 1 1 450.608 4.657 20 0 JJADMO Cc1ccc(SCc2nnc(N3CCC=C(C)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC001492613892 1066677567 /nfs/dbraw/zinc/67/75/67/1066677567.db2.gz MRRGJELQPIDOCU-QFIPXVFZSA-N 1 1 455.672 4.536 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC=C(C)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001492615073 1066679668 /nfs/dbraw/zinc/67/96/68/1066679668.db2.gz YRTASTLCPXPPEF-GGAORHGYSA-N 1 1 488.076 4.692 20 0 JJADMO C[C@H](NC(=O)c1ccc(Oc2cccc(Cl)c2)cn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001456743862 1066679733 /nfs/dbraw/zinc/67/97/33/1066679733.db2.gz GYRONVGLTBRGOR-UUOWRZLLSA-N 1 1 451.954 4.547 20 0 JJADMO C[C@H](NC(=O)c1ccc(Oc2cccc(Cl)c2)cn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001456743862 1066679737 /nfs/dbraw/zinc/67/97/37/1066679737.db2.gz GYRONVGLTBRGOR-UUOWRZLLSA-N 1 1 451.954 4.547 20 0 JJADMO CC1=CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001492616020 1066683195 /nfs/dbraw/zinc/68/31/95/1066683195.db2.gz HVLLEELBOLUSTG-HDICACEKSA-N 1 1 464.441 4.908 20 0 JJADMO CC1=CCN(c2nnc(-c3ccc(F)cc3Br)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001492616247 1066683908 /nfs/dbraw/zinc/68/39/08/1066683908.db2.gz QROOSIYUDKKOQX-SFHVURJKSA-N 1 1 492.437 4.504 20 0 JJADMO CCCc1c(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)nnn1-c1cccc(Cl)c1 ZINC001456774104 1066687097 /nfs/dbraw/zinc/68/70/97/1066687097.db2.gz WIMADDPDDMUVDJ-AOMKIAJQSA-N 1 1 458.031 4.748 20 0 JJADMO CCCc1c(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nnn1-c1cccc(Cl)c1 ZINC001456774119 1066687149 /nfs/dbraw/zinc/68/71/49/1066687149.db2.gz WIMADDPDDMUVDJ-OPAMFIHVSA-N 1 1 458.031 4.748 20 0 JJADMO C[N@H+]1CCC[C@H](CNC(=O)C2(c3cc(F)cc(Br)c3)CC2)[C@@H]1c1cccs1 ZINC001456775034 1066687860 /nfs/dbraw/zinc/68/78/60/1066687860.db2.gz YJVLFRTWHYVGQB-AUUYWEPGSA-N 1 1 451.405 4.881 20 0 JJADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)CCc1ccc(OC(F)(F)F)cc1 ZINC001446323095 1066690567 /nfs/dbraw/zinc/69/05/67/1066690567.db2.gz MIBJHODSDSQKIH-HXUWFJFHSA-N 1 1 450.501 4.737 20 0 JJADMO Cc1cnn(CC2CCN(c3nnc(C(C)(C)C)n3CCCC[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC001492622836 1066694764 /nfs/dbraw/zinc/69/47/64/1066694764.db2.gz STZPVVBIYIPCMJ-JOCHJYFZSA-N 1 1 455.695 4.652 20 0 JJADMO CCC[C@@H]1CN(C(=O)CCc2c3ccccc3[nH]c2-c2ccc(F)cc2)CC[N@H+]1CCOC ZINC001446349518 1066695076 /nfs/dbraw/zinc/69/50/76/1066695076.db2.gz MXLRZFBQVSMPQP-JOCHJYFZSA-N 1 1 451.586 4.866 20 0 JJADMO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001446355732 1066695600 /nfs/dbraw/zinc/69/56/00/1066695600.db2.gz NSKHIWTWYXIZQC-SFHVURJKSA-N 1 1 450.410 4.617 20 0 JJADMO O=C([C@H]1CCC[N@@H+](CCc2ccccc2)C1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001446390196 1066701070 /nfs/dbraw/zinc/70/10/70/1066701070.db2.gz HCSJWMHWKNFKNN-OALUTQOASA-N 1 1 451.558 4.823 20 0 JJADMO Cc1c(C(=O)NCC2(c3ccc(Br)cc3)CCCCC2)cnn1-c1cc[nH+]cc1 ZINC001456825575 1066701681 /nfs/dbraw/zinc/70/16/81/1066701681.db2.gz QSUIIOUAVKUFKF-UHFFFAOYSA-N 1 1 453.384 4.970 20 0 JJADMO Cc1csc([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[N@H+](C(C)C)CC2)n1 ZINC001492640228 1066730631 /nfs/dbraw/zinc/73/06/31/1066730631.db2.gz XPYYPOQFHLJKHH-OAQYLSRUSA-N 1 1 482.698 4.963 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(C)(C)C ZINC001446716646 1066733951 /nfs/dbraw/zinc/73/39/51/1066733951.db2.gz RUXZKSNPIIGFBM-KAOXLYBCSA-N 1 1 457.659 4.733 20 0 JJADMO O=C([C@@H]1C[C@H]1c1c(F)cccc1F)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456981184 1066734936 /nfs/dbraw/zinc/73/49/36/1066734936.db2.gz DNGYSRKTCMUXSO-GUDVDZBRSA-N 1 1 452.467 4.981 20 0 JJADMO CC[C@@]1(C)CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+](C)C2CCCCC2)CCO1 ZINC001546085994 1066737593 /nfs/dbraw/zinc/73/75/93/1066737593.db2.gz WUZCTVIBZKZLEG-VWLOTQADSA-N 1 1 477.600 4.816 20 0 JJADMO Cc1csc(CCCCn2c(Cc3ccccc3F)nnc2N2CCC[N@H+](C(C)C)CC2)n1 ZINC001492643215 1066738836 /nfs/dbraw/zinc/73/88/36/1066738836.db2.gz BWHHSXXKPMGAJE-UHFFFAOYSA-N 1 1 470.662 4.716 20 0 JJADMO Cc1csc(CCCCn2c([C@@H]3CCCCO3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC001492643803 1066740235 /nfs/dbraw/zinc/74/02/35/1066740235.db2.gz QZERQSJWPJBIPL-QFIPXVFZSA-N 1 1 474.719 4.864 20 0 JJADMO O=C([C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCC(n2cc(Cl)cn2)CC1 ZINC001446791124 1066740498 /nfs/dbraw/zinc/74/04/98/1066740498.db2.gz GSBCDONQJGNZLE-DEOSSOPVSA-N 1 1 454.977 4.741 20 0 JJADMO CC(C)[N@H+](Cc1ccc(NC(=O)c2cnn3c2N[C@H](C)C[C@@H]3C(F)F)cc1)C[C@@H]1CCCCO1 ZINC001446832540 1066746112 /nfs/dbraw/zinc/74/61/12/1066746112.db2.gz FSECRTHKQNGXDN-PIPMEXSNSA-N 1 1 475.584 4.925 20 0 JJADMO CC(C)[N@H+](Cc1ccc(NC(=O)C[C@H](O)C(Cl)(Cl)Cl)cc1)C[C@H]1CCCCO1 ZINC001446836070 1066746296 /nfs/dbraw/zinc/74/62/96/1066746296.db2.gz NAVFQESFBWWDNA-MSOLQXFVSA-N 1 1 451.822 4.526 20 0 JJADMO CC(C)[N@H+](Cc1ccc(NC(=O)C[C@H](O)C(Cl)(Cl)Cl)cc1)C[C@@H]1CCCCO1 ZINC001446836241 1066746657 /nfs/dbraw/zinc/74/66/57/1066746657.db2.gz NAVFQESFBWWDNA-ROUUACIJSA-N 1 1 451.822 4.526 20 0 JJADMO COc1ccccc1O[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001457028763 1066747980 /nfs/dbraw/zinc/74/79/80/1066747980.db2.gz OZIIZIRWEGVUEM-UCGXPXSYSA-N 1 1 458.602 4.803 20 0 JJADMO Cc1csc(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001492647117 1066750919 /nfs/dbraw/zinc/75/09/19/1066750919.db2.gz FMIWPWKXGRMKQB-QHCPKHFHSA-N 1 1 488.101 4.885 20 0 JJADMO CC(C)(C)OC(=O)Nc1ncc(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001457060317 1066752606 /nfs/dbraw/zinc/75/26/06/1066752606.db2.gz DEMVVMGLBXZTOS-CEXWTWQISA-N 1 1 456.612 4.521 20 0 JJADMO Cc1csc(CN(C)c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001492648370 1066754071 /nfs/dbraw/zinc/75/40/71/1066754071.db2.gz SFMRMLCKYHBGGT-FQEVSTJZSA-N 1 1 453.656 4.638 20 0 JJADMO C[C@H]1[C@H](C)N(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CCN1C(=O)OC(C)(C)C ZINC001446907286 1066755181 /nfs/dbraw/zinc/75/51/81/1066755181.db2.gz XGFZHLLIQZMKMI-SFTDATJTSA-N 1 1 451.611 4.789 20 0 JJADMO C[C@@H]1[C@@H](C)N(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CCN1C(=O)OC(C)(C)C ZINC001446907279 1066755457 /nfs/dbraw/zinc/75/54/57/1066755457.db2.gz XGFZHLLIQZMKMI-NHCUHLMSSA-N 1 1 451.611 4.789 20 0 JJADMO C[C@@H]1[C@H](C)N(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CCN1C(=O)OC(C)(C)C ZINC001446907269 1066755471 /nfs/dbraw/zinc/75/54/71/1066755471.db2.gz XGFZHLLIQZMKMI-LEWJYISDSA-N 1 1 451.611 4.789 20 0 JJADMO COC(=O)C(C)(C)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)C1 ZINC001446952246 1066758138 /nfs/dbraw/zinc/75/81/38/1066758138.db2.gz BGWUEJDYRUEOQT-KKUQBAQOSA-N 1 1 462.634 4.648 20 0 JJADMO CC[C@]1(C)CN(c2nnc(-c3ccc(OC)cc3OC)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001546086949 1066758292 /nfs/dbraw/zinc/75/82/92/1066758292.db2.gz BVTYOAHSWNXCSZ-PHVLTXCSSA-N 1 1 499.700 4.724 20 0 JJADMO CCCc1c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nnn1-c1cccc(C(C)C)c1 ZINC001457095149 1066760828 /nfs/dbraw/zinc/76/08/28/1066760828.db2.gz LJZYMVINWCKXGW-PXDATVDWSA-N 1 1 459.638 4.984 20 0 JJADMO Cc1nc(C)c(CCn2c(C(C)C)nnc2N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)s1 ZINC001492654966 1066764784 /nfs/dbraw/zinc/76/47/84/1066764784.db2.gz IQWKLGBUENBBRD-IBGZPJMESA-N 1 1 452.672 4.818 20 0 JJADMO Cc1nc(C)c(CCn2c(C(C)C)nnc2N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)s1 ZINC001492654967 1066764794 /nfs/dbraw/zinc/76/47/94/1066764794.db2.gz IQWKLGBUENBBRD-LJQANCHMSA-N 1 1 452.672 4.818 20 0 JJADMO C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001447103031 1066773335 /nfs/dbraw/zinc/77/33/35/1066773335.db2.gz LJQZJJUCOGLUBJ-IIMDRIAPSA-N 1 1 468.013 4.672 20 0 JJADMO Cc1[nH]c(=O)c(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1-c1ccccc1 ZINC001447107073 1066774191 /nfs/dbraw/zinc/77/41/91/1066774191.db2.gz SAUVCBJFHGNTGU-FDDCHVKYSA-N 1 1 453.945 4.978 20 0 JJADMO Cc1nc(Cc2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2CC[N@H+]2CCC[C@@H]2C)cs1 ZINC001492661013 1066779240 /nfs/dbraw/zinc/77/92/40/1066779240.db2.gz BJJQLFAZTRLMBT-HOTGVXAUSA-N 1 1 460.598 4.594 20 0 JJADMO Cc1nc(-c2cc3c(s2)CCN(c2nnc(CC(C)C)n2CC[N@@H+](C)C(C)C)C3)cs1 ZINC001492660841 1066779314 /nfs/dbraw/zinc/77/93/14/1066779314.db2.gz WTKJSUKFQBFCHA-UHFFFAOYSA-N 1 1 458.701 4.873 20 0 JJADMO Cc1nc(Cc2nnc(N(C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)n2CC(C)C)cs1 ZINC001492663765 1066784016 /nfs/dbraw/zinc/78/40/16/1066784016.db2.gz JFZRTJIIRNLVKQ-CVDCTZTESA-N 1 1 452.672 4.779 20 0 JJADMO Cc1nc(Cc2nnc(N(C)C[C@@H](C)c3nccs3)n2CCC[N@H+]2CCCC[C@@H]2C)cs1 ZINC001492664485 1066785014 /nfs/dbraw/zinc/78/50/14/1066785014.db2.gz LEVYFRDEJKTVJM-MSOLQXFVSA-N 1 1 473.716 4.595 20 0 JJADMO Cc1nc(Cc2nnc(N(C)Cc3ccc(F)c(F)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cs1 ZINC001492666013 1066789049 /nfs/dbraw/zinc/78/90/49/1066789049.db2.gz DNSPVVRSIFPUDO-OAQYLSRUSA-N 1 1 474.625 4.669 20 0 JJADMO CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(COC)CC1)[N@H+]1CCc2ccccc2C1 ZINC001545994672 1066793934 /nfs/dbraw/zinc/79/39/34/1066793934.db2.gz DJPIZMFFBKDDCC-DEOSSOPVSA-N 1 1 453.675 4.566 20 0 JJADMO Cc1nc(Cc2nnc(N(C)C[C@@H]3CCCO[C@@H]3c3ccccc3)n2CC[N@H+](C)C(C)C)cs1 ZINC001492667893 1066794921 /nfs/dbraw/zinc/79/49/21/1066794921.db2.gz RWKNBRWZTRCYLX-WIOPSUGQSA-N 1 1 482.698 4.578 20 0 JJADMO C[C@H]1C[C@H](NC(=O)COc2ccc(Br)cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC001457237230 1066796326 /nfs/dbraw/zinc/79/63/26/1066796326.db2.gz HLPNYDDOIIHUBF-MAUKXSAKSA-N 1 1 451.792 4.651 20 0 JJADMO Cc1nc(Cc2nnc(N(C)CCc3ccccc3F)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cs1 ZINC001492668759 1066797007 /nfs/dbraw/zinc/79/70/07/1066797007.db2.gz WVDPREKVPWEZFX-JOCHJYFZSA-N 1 1 470.662 4.572 20 0 JJADMO COc1ccc(CNC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c(OC2CCCC2)c1 ZINC001457290859 1066805283 /nfs/dbraw/zinc/80/52/83/1066805283.db2.gz AQTFUTIDEROGEN-PMACEKPBSA-N 1 1 452.595 4.556 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC(OC(C)C)CC3)n2CCCC[N@H+]2CCCC[C@@H]2C)cs1 ZINC001492675528 1066812535 /nfs/dbraw/zinc/81/25/35/1066812535.db2.gz BIYBDKAPHRZPQJ-FQEVSTJZSA-N 1 1 474.719 4.682 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC(OC(C)C)CC3)n2CCCC[N@H+]2CCCC[C@H]2C)cs1 ZINC001492675529 1066812722 /nfs/dbraw/zinc/81/27/22/1066812722.db2.gz BIYBDKAPHRZPQJ-HXUWFJFHSA-N 1 1 474.719 4.682 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC001492676839 1066814634 /nfs/dbraw/zinc/81/46/34/1066814634.db2.gz POEIHCXBKZWERD-QZTJIDSGSA-N 1 1 470.609 4.533 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC001492676841 1066814861 /nfs/dbraw/zinc/81/48/61/1066814861.db2.gz POEIHCXBKZWERD-ZWKOTPCHSA-N 1 1 470.609 4.533 20 0 JJADMO CC[C@H]1CN(C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001447498066 1066815396 /nfs/dbraw/zinc/81/53/96/1066815396.db2.gz LLLIIGJBOPSBPF-WNMGUVTHSA-N 1 1 453.671 4.755 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[C@@H](C(F)F)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001492677161 1066815535 /nfs/dbraw/zinc/81/55/35/1066815535.db2.gz XLWVBGIUQYOYSL-SJLPKXTDSA-N 1 1 466.646 4.626 20 0 JJADMO CC[C@@H]1CN(C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001447498676 1066816062 /nfs/dbraw/zinc/81/60/62/1066816062.db2.gz MACCZYOHGMNCJO-KCWPFWIISA-N 1 1 451.611 4.550 20 0 JJADMO CC[C@@H]1CN(C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001447498676 1066816068 /nfs/dbraw/zinc/81/60/68/1066816068.db2.gz MACCZYOHGMNCJO-KCWPFWIISA-N 1 1 451.611 4.550 20 0 JJADMO CC[C@H]1CN(C(=O)C[C@@H](O)c2ccc(OCc3ccccc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001447501689 1066816097 /nfs/dbraw/zinc/81/60/97/1066816097.db2.gz SIVRHMLCMUPOFE-XTEPFMGCSA-N 1 1 458.602 4.812 20 0 JJADMO Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC001447541279 1066820196 /nfs/dbraw/zinc/82/01/96/1066820196.db2.gz WQSGPBJRFDHMPY-UHFFFAOYSA-N 1 1 452.002 4.613 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)cs1 ZINC001492679487 1066822002 /nfs/dbraw/zinc/82/20/02/1066822002.db2.gz FFNFAAAYKIKHKU-NFBKMPQASA-N 1 1 488.746 4.786 20 0 JJADMO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC001447580971 1066825407 /nfs/dbraw/zinc/82/54/07/1066825407.db2.gz FKFVPVNYLNRALW-JOCHJYFZSA-N 1 1 453.007 4.988 20 0 JJADMO Cc1nc(Cc2nnc(N3CCSC(C)(C)C3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001492683603 1066826652 /nfs/dbraw/zinc/82/66/52/1066826652.db2.gz CTUAUWXMBSGPGY-KDURUIRLSA-N 1 1 476.760 4.724 20 0 JJADMO Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC001457421873 1066827927 /nfs/dbraw/zinc/82/79/27/1066827927.db2.gz LDJNKQJBKWZTOA-QFIPXVFZSA-N 1 1 455.606 4.737 20 0 JJADMO Cc1nc(C[C@H]2CCCN(c3nnc(CC(C)(C)C)n3Cc3ccccc3C[N@H+](C)C(C)C)C2)no1 ZINC001492685073 1066829115 /nfs/dbraw/zinc/82/91/15/1066829115.db2.gz OSOSIMZYIYIPFL-JOCHJYFZSA-N 1 1 493.700 4.906 20 0 JJADMO Cc1nc(C[C@H]2CCCN(c3nnc([C@H](C)Oc4cccc(C)c4C)n3CC[N@H+](C)C(C)C)C2)no1 ZINC001492686256 1066830898 /nfs/dbraw/zinc/83/08/98/1066830898.db2.gz XDYCSBCUCYNPMY-JTHBVZDNSA-N 1 1 495.672 4.526 20 0 JJADMO Cc1nc(C[C@@H]2CCCN(c3nnc([C@H](C)Oc4cccc(C)c4C)n3CC[N@H+](C)C(C)C)C2)no1 ZINC001492686255 1066830941 /nfs/dbraw/zinc/83/09/41/1066830941.db2.gz XDYCSBCUCYNPMY-GMAHTHKFSA-N 1 1 495.672 4.526 20 0 JJADMO O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)c1ccccc1SCc1cscn1 ZINC001447652839 1066836565 /nfs/dbraw/zinc/83/65/65/1066836565.db2.gz VWIKRUQHCLMGKX-FQEVSTJZSA-N 1 1 455.674 4.783 20 0 JJADMO O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)c1ccccc1SCc1cscn1 ZINC001447652839 1066836575 /nfs/dbraw/zinc/83/65/75/1066836575.db2.gz VWIKRUQHCLMGKX-FQEVSTJZSA-N 1 1 455.674 4.783 20 0 JJADMO Cc1nc2ccccc2n1CCCn1c(CC(C)C)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001492694539 1066839963 /nfs/dbraw/zinc/83/99/63/1066839963.db2.gz OCLGCZSWEOZKSU-UHFFFAOYSA-N 1 1 465.690 4.782 20 0 JJADMO Cc1nc([C@H]2CCCN2c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@H+](C)C(C)C)cs1 ZINC001492694957 1066840461 /nfs/dbraw/zinc/84/04/61/1066840461.db2.gz NAIJPXQEONSMEU-LJQANCHMSA-N 1 1 492.491 4.872 20 0 JJADMO Cc1ccc(C(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)c(Sc2ccccc2)c1 ZINC001457490833 1066842402 /nfs/dbraw/zinc/84/24/02/1066842402.db2.gz QJCUHWUTLIWINR-UHFFFAOYSA-N 1 1 459.615 4.715 20 0 JJADMO Cc1ncc(CN(C)c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)s1 ZINC001492697900 1066849513 /nfs/dbraw/zinc/84/95/13/1066849513.db2.gz HSLGWLFSGGZRQD-NRFANRHFSA-N 1 1 470.662 4.777 20 0 JJADMO Cc1ncc(CN(C)c2nnc(Cc3c(F)cccc3F)n2CC[N@H+]2CCCC(C)(C)C2)s1 ZINC001492698148 1066850319 /nfs/dbraw/zinc/85/03/19/1066850319.db2.gz OHOYWIOVBBFIHN-UHFFFAOYSA-N 1 1 474.625 4.670 20 0 JJADMO CC(C)[C@H]1CN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCN1C(=O)OC(C)(C)C ZINC001447753375 1066853633 /nfs/dbraw/zinc/85/36/33/1066853633.db2.gz CFZNXZDMJBMVFT-IFMALSPDSA-N 1 1 458.647 4.597 20 0 JJADMO CC[C@@H](NC(=O)c1ccccc1COCc1ccccc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001457540818 1066855686 /nfs/dbraw/zinc/85/56/86/1066855686.db2.gz LKJWSJQZXLFFIX-VSGBNLITSA-N 1 1 458.602 4.813 20 0 JJADMO CC[C@@H](NC(=O)c1ccccc1COCc1ccccc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001457540818 1066855694 /nfs/dbraw/zinc/85/56/94/1066855694.db2.gz LKJWSJQZXLFFIX-VSGBNLITSA-N 1 1 458.602 4.813 20 0 JJADMO CC[C@H](NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001457545102 1066857355 /nfs/dbraw/zinc/85/73/55/1066857355.db2.gz QWFKZLIAQXLUFY-FAQZDJIUSA-N 1 1 458.602 4.917 20 0 JJADMO CC[C@H](NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001457545102 1066857365 /nfs/dbraw/zinc/85/73/65/1066857365.db2.gz QWFKZLIAQXLUFY-FAQZDJIUSA-N 1 1 458.602 4.917 20 0 JJADMO Cc1ncc(CN2CCN(c3nnc(C(C)(C)C)n3CC[C@@H](C)[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC001492701817 1066859376 /nfs/dbraw/zinc/85/93/76/1066859376.db2.gz IANJJCJVJHRFLD-OAQYLSRUSA-N 1 1 495.741 4.573 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c(C(C)C)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1F ZINC001492703889 1066862440 /nfs/dbraw/zinc/86/24/40/1066862440.db2.gz IQXDDQPXCUIDRA-HXUWFJFHSA-N 1 1 497.619 4.577 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c(-c3ccc(F)cc3Br)nnc2N(C)CC(C)C)cn1 ZINC001492704203 1066862469 /nfs/dbraw/zinc/86/24/69/1066862469.db2.gz UHZJJJTVRGXJPS-UHFFFAOYSA-N 1 1 498.404 4.876 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(C2CCCC2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001492704819 1066863946 /nfs/dbraw/zinc/86/39/46/1066863946.db2.gz NUXJRRXCIZVBMX-UGKGYDQZSA-N 1 1 485.677 4.661 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2ccc[nH]2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001492705048 1066864069 /nfs/dbraw/zinc/86/40/69/1066864069.db2.gz UDGSPGDNGKIAEZ-UHFFFAOYSA-N 1 1 475.441 4.580 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(CC(C)C)C(C)C)cn1 ZINC001492704211 1066864097 /nfs/dbraw/zinc/86/40/97/1066864097.db2.gz UMXSSRUMBHTWHU-UHFFFAOYSA-N 1 1 497.445 4.844 20 0 JJADMO CC(C)c1ccc(N2CC[C@@H](C(=O)Nc3ccc(C[NH+](C)C)c(Br)c3)C2=O)cc1 ZINC001447819214 1066865587 /nfs/dbraw/zinc/86/55/87/1066865587.db2.gz QAMPCLIEDOBMOL-FQEVSTJZSA-N 1 1 458.400 4.626 20 0 JJADMO C[NH+](C)Cc1ccc(NC(=O)c2ccc(C(=O)c3cccc(O)c3)cc2)cc1Br ZINC001447818947 1066865678 /nfs/dbraw/zinc/86/56/78/1066865678.db2.gz PDSNXCLPNLCQGX-UHFFFAOYSA-N 1 1 453.336 4.700 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c(N(C)CCOc3cccc(Cl)c3)nnc2C(C)(C)C)cn1 ZINC001492705998 1066866884 /nfs/dbraw/zinc/86/68/84/1066866884.db2.gz ZBJJWFAETMODJV-UHFFFAOYSA-N 1 1 480.016 4.682 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C)C1 ZINC001492706299 1066868447 /nfs/dbraw/zinc/86/84/47/1066868447.db2.gz IVZGHKXAMVCJAB-CTNGQTDRSA-N 1 1 471.650 4.572 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001492706357 1066868468 /nfs/dbraw/zinc/86/84/68/1066868468.db2.gz KLNVCOSGFOCWBS-NHCUHLMSSA-N 1 1 472.678 4.576 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(N(Cc2cccs2)C[C@H]2CCCO2)nnc1C(C)(C)C ZINC001492706393 1066868496 /nfs/dbraw/zinc/86/84/96/1066868496.db2.gz LUUUKMKMVZAGKX-HXUWFJFHSA-N 1 1 456.660 4.808 20 0 JJADMO O=C(N[C@H](Cc1cccc(Br)c1)CC1CC1)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001447845505 1066868475 /nfs/dbraw/zinc/86/84/75/1066868475.db2.gz ICEHJKCLTPNMNB-XZOQPEGZSA-N 1 1 456.428 4.726 20 0 JJADMO O=C(N[C@H](Cc1cccc(Br)c1)CC1CC1)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001447845505 1066868481 /nfs/dbraw/zinc/86/84/81/1066868481.db2.gz ICEHJKCLTPNMNB-XZOQPEGZSA-N 1 1 456.428 4.726 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)c1cccs1 ZINC001492707484 1066870676 /nfs/dbraw/zinc/87/06/76/1066870676.db2.gz XHQOANGIPBBDSA-OAHLLOKOSA-N 1 1 488.459 4.900 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001492707245 1066870768 /nfs/dbraw/zinc/87/07/68/1066870768.db2.gz PFEMWFXMIMYDAY-OAHLLOKOSA-N 1 1 497.363 4.923 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CCC(F)(F)F ZINC001492707342 1066870901 /nfs/dbraw/zinc/87/09/01/1066870901.db2.gz SHHHWMIXEPRPIP-OAHLLOKOSA-N 1 1 454.472 4.541 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(CC2CCCC2)nnc1N(C)Cc1ccc(Br)o1 ZINC001492709049 1066873073 /nfs/dbraw/zinc/87/30/73/1066873073.db2.gz VHHZNKVWBZVANR-UHFFFAOYSA-N 1 1 461.408 4.598 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(CCCc2ccccc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001492708939 1066873140 /nfs/dbraw/zinc/87/31/40/1066873140.db2.gz QQTMEQKZJUQKRS-HHHXNRCGSA-N 1 1 464.658 4.690 20 0 JJADMO Cc1cc[nH+]c(N2CCN(C(=O)[C@@H](C)SCc3ncc(-c4ccc(Cl)cc4)o3)CC2)c1 ZINC001457591063 1066873406 /nfs/dbraw/zinc/87/34/06/1066873406.db2.gz CVUDTERGASRXMJ-QGZVFWFLSA-N 1 1 456.999 4.669 20 0 JJADMO CCn1cc(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(=O)c2cc(Cl)ccc21 ZINC001457593196 1066874166 /nfs/dbraw/zinc/87/41/66/1066874166.db2.gz AKBSQRLGYSWIDF-UHFFFAOYSA-N 1 1 451.998 4.659 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2ccc(F)cc2Br)nnc1N(CC(C)C)C(C)C ZINC001492710122 1066874457 /nfs/dbraw/zinc/87/44/57/1066874457.db2.gz DUPMVZOKZRBZOO-UHFFFAOYSA-N 1 1 463.399 4.923 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2cccc(Br)c2)nnc1N(C)C[C@H]1CC=CCC1 ZINC001492710086 1066874627 /nfs/dbraw/zinc/87/46/27/1066874627.db2.gz CMCDKUOLHSRPLY-SFHVURJKSA-N 1 1 455.404 4.705 20 0 JJADMO Cc1c(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)cnn1-c1cccc(Br)c1 ZINC001457610100 1066877399 /nfs/dbraw/zinc/87/73/99/1066877399.db2.gz KISBMEQMCDTFKQ-NRFANRHFSA-N 1 1 459.432 4.718 20 0 JJADMO O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1cnn(-c2ncccc2Cl)c1C(F)F ZINC001457608672 1066877446 /nfs/dbraw/zinc/87/74/46/1066877446.db2.gz FZADYJWENIBCSL-MRXNPFEDSA-N 1 1 451.949 4.633 20 0 JJADMO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2Cl)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001492718119 1066885998 /nfs/dbraw/zinc/88/59/98/1066885998.db2.gz UDMPOQMCEHQXCX-QZTJIDSGSA-N 1 1 470.065 4.706 20 0 JJADMO CCOc1ccc([C@H](NC(=O)CCC[NH+]2CCN(C(C)C)CC2)c2cccc(Cl)c2)cc1 ZINC001546002192 1066890488 /nfs/dbraw/zinc/89/04/88/1066890488.db2.gz CBEINJHPNKRPTP-SANMLTNESA-N 1 1 458.046 4.751 20 0 JJADMO Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001457662414 1066892633 /nfs/dbraw/zinc/89/26/33/1066892633.db2.gz VYMOEQVDWPJXLX-LRDDRELGSA-N 1 1 459.413 4.826 20 0 JJADMO Cc1cc(C)n([C@H]2CCCN(c3nnc(C(C)(C)C)n3CCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)C2)n1 ZINC001492729051 1066898834 /nfs/dbraw/zinc/89/88/34/1066898834.db2.gz SPHSCXLXRYJVGA-IMSXRSKXSA-N 1 1 469.722 4.989 20 0 JJADMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 ZINC001448125978 1066902606 /nfs/dbraw/zinc/90/26/06/1066902606.db2.gz SYBKJSAFRJCRRQ-HSZRJFAPSA-N 1 1 451.611 4.871 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)n2CCC(C)(F)F)n1 ZINC001492733267 1066907069 /nfs/dbraw/zinc/90/70/69/1066907069.db2.gz GPPZDQOXZRQTQR-OFNKIYASSA-N 1 1 485.627 4.674 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)C3CCC(C)CC3)n2CCCC[N@H+]2CCCC[C@@H]2C)n1 ZINC001492733519 1066907603 /nfs/dbraw/zinc/90/76/03/1066907603.db2.gz MBLHICPZEISIGA-HMXGKDEJSA-N 1 1 455.695 4.809 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccoc3C)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC001492735261 1066909056 /nfs/dbraw/zinc/90/90/56/1066909056.db2.gz PPLWTHBPEFRTRJ-QHCPKHFHSA-N 1 1 482.032 4.634 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)CCC[C@H]12 ZINC001448232595 1066912076 /nfs/dbraw/zinc/91/20/76/1066912076.db2.gz CDHCLSCSBDCCHU-BCQCSXDESA-N 1 1 455.643 4.583 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CC=C(C(C)(C)C)CC3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC001492743261 1066918818 /nfs/dbraw/zinc/91/88/18/1066918818.db2.gz NWQNXXMRNMMADM-HSZRJFAPSA-N 1 1 467.706 4.690 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CCc2ccc(Cl)cc2)n1 ZINC001492746164 1066921337 /nfs/dbraw/zinc/92/13/37/1066921337.db2.gz JRFZHYXDAYYVMO-UHFFFAOYSA-N 1 1 484.092 4.592 20 0 JJADMO CN(C(=O)COc1ccc2cc(Br)ccc2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001457798244 1066923012 /nfs/dbraw/zinc/92/30/12/1066923012.db2.gz SYRBCBHMVCRWRS-JOCHJYFZSA-N 1 1 453.380 4.714 20 0 JJADMO CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC[N@H+](C2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC001546005610 1066924112 /nfs/dbraw/zinc/92/41/12/1066924112.db2.gz GAFOGFVCIXWVQU-QFIPXVFZSA-N 1 1 488.721 4.769 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H]3C(C)C)n2C[C@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC001492749725 1066924640 /nfs/dbraw/zinc/92/46/40/1066924640.db2.gz HOWQUIFQOQDMQA-DHIUTWEWSA-N 1 1 470.065 4.721 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCCC[C@H](C)C3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492751372 1066926438 /nfs/dbraw/zinc/92/64/38/1066926438.db2.gz ZJKMHCFQCQNWDJ-PCCBWWKXSA-N 1 1 455.695 4.523 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2Cc2cccc(C(C)(F)F)c2)n1 ZINC001492751379 1066926469 /nfs/dbraw/zinc/92/64/69/1066926469.db2.gz ZMKSWLWKRXKZIL-UHFFFAOYSA-N 1 1 485.627 4.610 20 0 JJADMO CC[C@H](Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)OC ZINC001546005937 1066926429 /nfs/dbraw/zinc/92/64/29/1066926429.db2.gz MBVAREGNIRWBNP-ICDZXHCJSA-N 1 1 453.675 4.579 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492754168 1066926934 /nfs/dbraw/zinc/92/69/34/1066926934.db2.gz RYZGHHLDTPLEFB-TYPXCFOJSA-N 1 1 499.748 4.539 20 0 JJADMO CCc1ccc([C@@H]2CN(C(=O)COc3ccc4cc(Br)ccc4c3)CC[NH2+]2)cc1 ZINC001448450833 1066928915 /nfs/dbraw/zinc/92/89/15/1066928915.db2.gz MFSWXARAOPOPOI-QHCPKHFHSA-N 1 1 453.380 4.717 20 0 JJADMO CCc1ccc([C@H]2CN(C(=O)COc3ccc4cc(Br)ccc4c3)CC[NH2+]2)cc1 ZINC001448450830 1066929054 /nfs/dbraw/zinc/92/90/54/1066929054.db2.gz MFSWXARAOPOPOI-HSZRJFAPSA-N 1 1 453.380 4.717 20 0 JJADMO O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)c1cccc(OC(F)(F)F)c1 ZINC001457832281 1066930343 /nfs/dbraw/zinc/93/03/43/1066930343.db2.gz KIRLCPHUBQOZCR-UHFFFAOYSA-N 1 1 457.290 4.742 20 0 JJADMO CC1(C)CCC[N@@H+](CCNC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)C1 ZINC001448510425 1066935055 /nfs/dbraw/zinc/93/50/55/1066935055.db2.gz QHVZESYUZBXPKE-UHFFFAOYSA-N 1 1 458.400 4.553 20 0 JJADMO Cc1nnc(CCCn2c(CC(C)C)nnc2N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC001492766250 1066938586 /nfs/dbraw/zinc/93/85/86/1066938586.db2.gz GLYSJWKJHJRKEX-NZQKXSOJSA-N 1 1 481.714 4.759 20 0 JJADMO Cc1nnc(N(C)Cc2ccc(Br)cc2)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001492779394 1066947183 /nfs/dbraw/zinc/94/71/83/1066947183.db2.gz BUNVHFXOQUKLPR-OALUTQOASA-N 1 1 478.435 4.660 20 0 JJADMO Cc1nnc(N(C)Cc2ccc(Br)cc2)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001492779394 1066947193 /nfs/dbraw/zinc/94/71/93/1066947193.db2.gz BUNVHFXOQUKLPR-OALUTQOASA-N 1 1 478.435 4.660 20 0 JJADMO Cc1nnc(N(Cc2cc(Cl)ccc2Br)CC(C)C)n1C[C@H]1CCC[N@H+]1CCCO ZINC001492788525 1066949941 /nfs/dbraw/zinc/94/99/41/1066949941.db2.gz SPWNZQRTTAUPIA-HXUWFJFHSA-N 1 1 498.897 4.512 20 0 JJADMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1[C@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C ZINC001448732846 1066954884 /nfs/dbraw/zinc/95/48/84/1066954884.db2.gz HOIPDLXQAICPBZ-NWSQWKLXSA-N 1 1 452.599 4.613 20 0 JJADMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(Br)ccc1OC(F)F ZINC001458000105 1066955408 /nfs/dbraw/zinc/95/54/08/1066955408.db2.gz LNVGJCHQWXVXQX-GJZGRUSLSA-N 1 1 453.327 4.786 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(Br)ccc1OC(F)F ZINC001458000105 1066955417 /nfs/dbraw/zinc/95/54/17/1066955417.db2.gz LNVGJCHQWXVXQX-GJZGRUSLSA-N 1 1 453.327 4.786 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001458005127 1066955794 /nfs/dbraw/zinc/95/57/94/1066955794.db2.gz QDDIFQAICKIOKF-KOVSNXQUSA-N 1 1 457.659 4.972 20 0 JJADMO Cc1nnc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001492842214 1066956612 /nfs/dbraw/zinc/95/66/12/1066956612.db2.gz ANVRXCPYTMRACT-MRXNPFEDSA-N 1 1 456.582 4.568 20 0 JJADMO Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1Cc1sccc1Br ZINC001492846730 1066957120 /nfs/dbraw/zinc/95/71/20/1066957120.db2.gz HBVFBAMPTBPVEE-DOTOQJQBSA-N 1 1 452.466 4.550 20 0 JJADMO Cc1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1Cc1sccc1Br ZINC001492846739 1066957226 /nfs/dbraw/zinc/95/72/26/1066957226.db2.gz HBVFBAMPTBPVEE-RDJZCZTQSA-N 1 1 452.466 4.550 20 0 JJADMO Cc1ccc(OCCC(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c(Br)c1 ZINC001458057888 1066963495 /nfs/dbraw/zinc/96/34/95/1066963495.db2.gz IQXABMZHWSKUHG-CTNGQTDRSA-N 1 1 459.428 4.943 20 0 JJADMO CO[C@H](C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(Br)s1 ZINC001458059867 1066964365 /nfs/dbraw/zinc/96/43/65/1066964365.db2.gz QCYHSWNYZHFLBN-SYNHAJSKSA-N 1 1 451.430 4.615 20 0 JJADMO COc1cccc(C(=O)c2ccc(C(=O)NCC[C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)cc2)c1 ZINC001458061995 1066964866 /nfs/dbraw/zinc/96/48/66/1066964866.db2.gz XCPZUGQGPBOQSF-GGAORHGYSA-N 1 1 456.586 4.957 20 0 JJADMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(CC)[C@H](C)c2ccc(-c3cccc(OC)c3)cc2)C1 ZINC001545702466 1066965213 /nfs/dbraw/zinc/96/52/13/1066965213.db2.gz DADDWUBJKSBORR-HYBUGGRVSA-N 1 1 452.595 4.547 20 0 JJADMO CC[C@@H](c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CC1CCCC1)c1ccccc1 ZINC001545719173 1066973202 /nfs/dbraw/zinc/97/32/02/1066973202.db2.gz BWFQCFFKWWQMIA-XMMPIXPASA-N 1 1 453.675 4.805 20 0 JJADMO CC[C@@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC001545719746 1066973443 /nfs/dbraw/zinc/97/34/43/1066973443.db2.gz LMGLQOYFJSRTIP-KZMUEFLRSA-N 1 1 494.728 4.824 20 0 JJADMO CC[C@H](c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545719645 1066973626 /nfs/dbraw/zinc/97/36/26/1066973626.db2.gz KDILCDCSPCMSIT-ZDXQCDESSA-N 1 1 496.744 4.927 20 0 JJADMO CC[C@H](c1nnc(N(C)C2CCCCC2)n1CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC001545720132 1066974457 /nfs/dbraw/zinc/97/44/57/1066974457.db2.gz RKIWRKJDADKNKB-DEOSSOPVSA-N 1 1 452.691 4.615 20 0 JJADMO CC[C@H](c1nnc(N(C)C2CCCCC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001545720132 1066974464 /nfs/dbraw/zinc/97/44/64/1066974464.db2.gz RKIWRKJDADKNKB-DEOSSOPVSA-N 1 1 452.691 4.615 20 0 JJADMO CC[C@H](c1nnc(N(C)C2CCCCC2)n1CC[N@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001545720132 1066974475 /nfs/dbraw/zinc/97/44/75/1066974475.db2.gz RKIWRKJDADKNKB-DEOSSOPVSA-N 1 1 452.691 4.615 20 0 JJADMO CC[C@@H](c1nnc(N(C)Cc2c(C)noc2C)n1C[C@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC001545721541 1066975759 /nfs/dbraw/zinc/97/57/59/1066975759.db2.gz BTRCLACRDWKHKQ-DHIUTWEWSA-N 1 1 450.631 4.936 20 0 JJADMO CC[C@H](c1nnc(N(C)Cc2scnc2C)n1CC[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC001545722024 1066976807 /nfs/dbraw/zinc/97/68/07/1066976807.db2.gz MBSYCPZPIXMQGE-UGKGYDQZSA-N 1 1 452.672 4.953 20 0 JJADMO CCCN(C(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C(C)C ZINC001458112783 1066979309 /nfs/dbraw/zinc/97/93/09/1066979309.db2.gz ULAPMFHIRGVZFY-NHCUHLMSSA-N 1 1 451.611 4.809 20 0 JJADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2ncc(C(F)(F)F)cc2I)C1 ZINC001458113158 1066979409 /nfs/dbraw/zinc/97/94/09/1066979409.db2.gz LLKRQKXUZFAEBF-MBNYWOFBSA-N 1 1 453.290 4.547 20 0 JJADMO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)NC[C@@](C)(Cc2ccccc2)[C@@H](C)O)c1 ZINC001449048560 1066979540 /nfs/dbraw/zinc/97/95/40/1066979540.db2.gz QKRSSLOYYYAANC-ROWZVZMSSA-N 1 1 470.657 4.957 20 0 JJADMO CC[C@H](c1nnc(N(C)CC2CCCCC2)n1CC[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001545724133 1066980454 /nfs/dbraw/zinc/98/04/54/1066980454.db2.gz MJUJPURDVUGNNS-DEOSSOPVSA-N 1 1 453.675 4.947 20 0 JJADMO CC[C@H](c1nnc(N(C)CC2CCCCC2)n1CC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001545724133 1066980465 /nfs/dbraw/zinc/98/04/65/1066980465.db2.gz MJUJPURDVUGNNS-DEOSSOPVSA-N 1 1 453.675 4.947 20 0 JJADMO CC[C@@H](c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545726620 1066983968 /nfs/dbraw/zinc/98/39/68/1066983968.db2.gz UGYSZTITMQAGQZ-MPJDBJFZSA-N 1 1 483.701 4.569 20 0 JJADMO CC[C@@H](c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545726620 1066983981 /nfs/dbraw/zinc/98/39/81/1066983981.db2.gz UGYSZTITMQAGQZ-MPJDBJFZSA-N 1 1 483.701 4.569 20 0 JJADMO CC[C@@]1(C)CN(c2nnc(Cc3ccsc3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CCO1 ZINC001546097342 1066985001 /nfs/dbraw/zinc/98/50/01/1066985001.db2.gz IXEHMFPGDVOMEF-SANMLTNESA-N 1 1 467.683 4.824 20 0 JJADMO CC[N@@H+](Cc1ccc(C(=O)NC2(c3noc([C@@H]4CCOC4)n3)CCCCCC2)cc1)C(C)C ZINC001458139012 1066985862 /nfs/dbraw/zinc/98/58/62/1066985862.db2.gz GSFCTEHVTWJSKP-JOCHJYFZSA-N 1 1 454.615 4.783 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1Cc1ccnc(OC(F)F)c1)c1ccccc1 ZINC001545730567 1066987818 /nfs/dbraw/zinc/98/78/18/1066987818.db2.gz BQIXXGSWKNPKGO-CNNODRBYSA-N 1 1 484.595 4.784 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](C)CC(C)(C)C2)n1C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001545731899 1066992042 /nfs/dbraw/zinc/99/20/42/1066992042.db2.gz UUSWAGQKGGTGGE-RMTZWNOUSA-N 1 1 480.745 4.966 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545731884 1066992143 /nfs/dbraw/zinc/99/21/43/1066992143.db2.gz URGVKZUWPCEHNQ-ACUMWEPGSA-N 1 1 453.675 4.802 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1CCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545732008 1066993303 /nfs/dbraw/zinc/99/33/03/1066993303.db2.gz WESHESPCHZGVSS-QNWVGRARSA-N 1 1 484.689 4.606 20 0 JJADMO Ic1ccc2ncnc(NC[C@@H]3CCC[N@H+]3CC3CCCCC3)c2c1 ZINC001458166783 1066994071 /nfs/dbraw/zinc/99/40/71/1066994071.db2.gz NGSSCWBKPINQPJ-KRWDZBQOSA-N 1 1 450.368 4.691 20 0 JJADMO CC[C@H](c1nnc(N2CCC(C(C)C)CC2)n1CCC[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001545734041 1066994309 /nfs/dbraw/zinc/99/43/09/1066994309.db2.gz MIDHAZBQMMNWDN-SANMLTNESA-N 1 1 466.718 4.720 20 0 JJADMO O=C(/C=C\COc1ccccc1)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001458169455 1066994735 /nfs/dbraw/zinc/99/47/35/1066994735.db2.gz BFIWXMJHQXDRNY-YVLHZVERSA-N 1 1 456.586 4.572 20 0 JJADMO CC[C@@H](c1nnc(N2CC[C@@H](C(C)C)C2)n1CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC001545734426 1066997587 /nfs/dbraw/zinc/99/75/87/1066997587.db2.gz SGWXPMXMCGPLQG-QLBJFCOMSA-N 1 1 453.675 4.803 20 0 JJADMO CC[C@@H](c1nnc(N2CC[C@@H](C(C)C)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC001545734424 1066997739 /nfs/dbraw/zinc/99/77/39/1066997739.db2.gz SGWXPMXMCGPLQG-ICDZXHCJSA-N 1 1 453.675 4.803 20 0 JJADMO CC[C@@H](c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCCC(C)(C)C)c1ccccc1 ZINC001545735785 1066998861 /nfs/dbraw/zinc/99/88/61/1066998861.db2.gz GSWSETIKHBYURC-YIXXDRMTSA-N 1 1 453.675 4.947 20 0 JJADMO CC[C@H](c1nnc(N2CCC(C)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545735945 1066999428 /nfs/dbraw/zinc/99/94/28/1066999428.db2.gz IXCGEWPFAIMIHZ-ZDXQCDESSA-N 1 1 453.675 4.944 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(C(F)(F)F)CC2)n1CCC[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001545736340 1067000123 /nfs/dbraw/zinc/00/01/23/1067000123.db2.gz PCXAJQHAZMFLEF-HSZRJFAPSA-N 1 1 492.634 4.626 20 0 JJADMO CC[C@@]1(C)CN(c2nnc(Cc3ccsc3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CCO1 ZINC001546097989 1067002818 /nfs/dbraw/zinc/00/28/18/1067002818.db2.gz USVMHBUZYDISBF-QPPBQGQZSA-N 1 1 474.074 4.892 20 0 JJADMO CC[C@]1(C)CN(c2nnc(Cc3ccsc3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CCO1 ZINC001546097992 1067002916 /nfs/dbraw/zinc/00/29/16/1067002916.db2.gz USVMHBUZYDISBF-ZJSXRUAMSA-N 1 1 474.074 4.892 20 0 JJADMO CC[C@H](c1nnc(N2CC[C@@H](C3CCOCC3)C2)n1CCC[N@@H+](C)C(C)C)c1ccccc1 ZINC001545738702 1067003552 /nfs/dbraw/zinc/00/35/52/1067003552.db2.gz NESIUEBOJWGYQE-RPBOFIJWSA-N 1 1 453.675 4.803 20 0 JJADMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)c1 ZINC001458213690 1067004517 /nfs/dbraw/zinc/00/45/17/1067004517.db2.gz GFGGZHQJFWNAHU-UHFFFAOYSA-N 1 1 450.296 4.778 20 0 JJADMO C[NH+]1CCN(Cc2ccc(C(=O)N3CCC[C@H](c4cccc(C(F)(F)F)c4)C3)s2)CC1 ZINC001449365068 1067004581 /nfs/dbraw/zinc/00/45/81/1067004581.db2.gz CLYOQJCXJKZFSO-SFHVURJKSA-N 1 1 451.558 4.534 20 0 JJADMO CC[C@H](c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C[C@@H]1CCCOC1)c1ccccc1 ZINC001545739246 1067004843 /nfs/dbraw/zinc/00/48/43/1067004843.db2.gz WKSAZJNCPQRZIK-ZCYQVOJMSA-N 1 1 453.675 4.803 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(CNC(C)=O)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1)c1ccccc1 ZINC001545739404 1067005223 /nfs/dbraw/zinc/00/52/23/1067005223.db2.gz ZMHFIRKGXLKRHC-XNMGPUDCSA-N 1 1 494.728 4.541 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ncnc2ccc(I)cc21 ZINC001458229736 1067008299 /nfs/dbraw/zinc/00/82/99/1067008299.db2.gz PYBPZDGGKYXANP-HNAYVOBHSA-N 1 1 458.347 4.557 20 0 JJADMO CCCCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001449414332 1067008641 /nfs/dbraw/zinc/00/86/41/1067008641.db2.gz PNZCLSLIDCYMPR-NRFANRHFSA-N 1 1 457.640 4.741 20 0 JJADMO CC[C@H](c1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)C(C)C)c1ccccc1 ZINC001545741837 1067008828 /nfs/dbraw/zinc/00/88/28/1067008828.db2.gz XNVUTCTYBBTUEQ-PKTZIBPZSA-N 1 1 484.689 4.606 20 0 JJADMO CC[C@H](c1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)C(C)C)c1ccccc1 ZINC001545741836 1067008919 /nfs/dbraw/zinc/00/89/19/1067008919.db2.gz XNVUTCTYBBTUEQ-GOTSBHOMSA-N 1 1 484.689 4.606 20 0 JJADMO COc1ccc(CCCCC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1OC ZINC001458242599 1067010452 /nfs/dbraw/zinc/01/04/52/1067010452.db2.gz GMHVHJXCWRVQBH-CCDWMCETSA-N 1 1 450.623 4.834 20 0 JJADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001545743886 1067010415 /nfs/dbraw/zinc/01/04/15/1067010415.db2.gz SLNYTXSCZGOBSA-QPPBQGQZSA-N 1 1 475.685 4.574 20 0 JJADMO CC[C@@H](c1nnc(N2CCCC(C)(C)C2)n1C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001545745611 1067012604 /nfs/dbraw/zinc/01/26/04/1067012604.db2.gz DDYUXIGARRGOJL-UKILVPOCSA-N 1 1 466.718 4.720 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@H]2C(C)C)n1C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545748741 1067018079 /nfs/dbraw/zinc/01/80/79/1067018079.db2.gz FEFHPVDPIVOWMR-SDHSZQHLSA-N 1 1 453.675 4.802 20 0 JJADMO CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC001449625497 1067018421 /nfs/dbraw/zinc/01/84/21/1067018421.db2.gz QLAMSYRGWGSYRU-MRXNPFEDSA-N 1 1 456.578 4.890 20 0 JJADMO COc1ccc2c(c1)C[C@@H](C(=O)Nc1ccc(C[N@@H+](C[C@@H]3CCCCO3)C(C)C)cc1)CO2 ZINC001458277605 1067019364 /nfs/dbraw/zinc/01/93/64/1067019364.db2.gz KGZNOPZISWMYNL-RDGATRHJSA-N 1 1 452.595 4.665 20 0 JJADMO COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(C[N@@H+](C[C@H]3CCCCO3)C(C)C)cc1)CO2 ZINC001458277624 1067019411 /nfs/dbraw/zinc/01/94/11/1067019411.db2.gz KGZNOPZISWMYNL-WIOPSUGQSA-N 1 1 452.595 4.665 20 0 JJADMO C[C@H]1CN(C(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC001449678849 1067019764 /nfs/dbraw/zinc/01/97/64/1067019764.db2.gz KJUXEQSRAWZEDN-GOSISDBHSA-N 1 1 457.018 4.854 20 0 JJADMO COC(=O)c1ccccc1CCC(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC001458279978 1067019923 /nfs/dbraw/zinc/01/99/23/1067019923.db2.gz MOBROCIRYRIHGD-XMMPIXPASA-N 1 1 452.595 4.824 20 0 JJADMO Cc1cn(CC(=O)Nc2ccc(C[N@H+](C[C@H]3CCCCO3)C(C)C)cc2)nc1C(F)(F)F ZINC001458287026 1067021992 /nfs/dbraw/zinc/02/19/92/1067021992.db2.gz ZNTAYKBDDZTFIZ-HXUWFJFHSA-N 1 1 452.521 4.629 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCCC1CCOCC1)c1ccccc1 ZINC001545751331 1067023507 /nfs/dbraw/zinc/02/35/07/1067023507.db2.gz DGEJAJFHOJMKLR-RUZDIDTESA-N 1 1 453.675 4.947 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCN(CC)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545751656 1067024950 /nfs/dbraw/zinc/02/49/50/1067024950.db2.gz JKNZCXYWVYTMCX-XMMPIXPASA-N 1 1 498.716 4.998 20 0 JJADMO CC[C@@H](c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC001545752548 1067028552 /nfs/dbraw/zinc/02/85/52/1067028552.db2.gz ZAKBIAORTOLDEM-AOYPEHQESA-N 1 1 494.728 4.635 20 0 JJADMO O=C(NCC1(c2ccccc2Br)CCCCC1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC001449868091 1067033050 /nfs/dbraw/zinc/03/30/50/1067033050.db2.gz OCMUZQJKWJOMOL-QFIPXVFZSA-N 1 1 456.428 4.827 20 0 JJADMO O=C(NCC1(c2ccccc2Br)CCCCC1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC001449868091 1067033062 /nfs/dbraw/zinc/03/30/62/1067033062.db2.gz OCMUZQJKWJOMOL-QFIPXVFZSA-N 1 1 456.428 4.827 20 0 JJADMO CC[C@H](c1nnc(N2CCN(C(C)C)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545756598 1067033913 /nfs/dbraw/zinc/03/39/13/1067033913.db2.gz KQWPZBJDUNRHMS-GSLIJJQTSA-N 1 1 466.718 4.718 20 0 JJADMO CC[C@H](c1nnc(N2CCN(C(C)C)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545756598 1067033927 /nfs/dbraw/zinc/03/39/27/1067033927.db2.gz KQWPZBJDUNRHMS-GSLIJJQTSA-N 1 1 466.718 4.718 20 0 JJADMO CC[C@@H](c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1CCC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC001545756960 1067034983 /nfs/dbraw/zinc/03/49/83/1067034983.db2.gz QPSQCHABSNTTCA-BKMJKUGQSA-N 1 1 480.701 4.532 20 0 JJADMO Cc1sc2nc(C)nc(SCC(=O)N[C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2c1C ZINC001458345906 1067037095 /nfs/dbraw/zinc/03/70/95/1067037095.db2.gz DDKYOLXPHMMABH-OXQOHEQNSA-N 1 1 454.665 4.735 20 0 JJADMO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N3C[C@@H](c4ccc(C)cc4)C[C@H]3C)c2c1C ZINC001458349744 1067039364 /nfs/dbraw/zinc/03/93/64/1067039364.db2.gz UAQWYMSIHONWLA-APWZRJJASA-N 1 1 452.624 4.929 20 0 JJADMO CC[C@@H](c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1Cc1cccc(C(F)(F)F)n1)c1ccccc1 ZINC001545758683 1067039619 /nfs/dbraw/zinc/03/96/19/1067039619.db2.gz LKCIPWOZNJXIFV-WIYYLYMNSA-N 1 1 472.559 4.813 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2c(F)c(F)c(Br)c(F)c2F)CCC1 ZINC001449994852 1067040921 /nfs/dbraw/zinc/04/09/21/1067040921.db2.gz CVVHNCPXEUEBDM-UHFFFAOYSA-N 1 1 459.281 4.790 20 0 JJADMO CC[C@H](c1nnc(N2CCN(CC(F)(F)F)CC2)n1CCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC001545759342 1067042270 /nfs/dbraw/zinc/04/22/70/1067042270.db2.gz WNKVVJIIGDOKEH-GMAHTHKFSA-N 1 1 492.634 4.769 20 0 JJADMO CCC[C@H](Nc1nc(C[NH+](C)C)nc2sc(C(=O)OCC)c(C)c21)[C@H](O)c1ccccc1 ZINC001458362040 1067042420 /nfs/dbraw/zinc/04/24/20/1067042420.db2.gz CUHBFKORCYHZNA-FXAWDEMLSA-N 1 1 456.612 4.552 20 0 JJADMO CC[C@@H](c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545760562 1067043666 /nfs/dbraw/zinc/04/36/66/1067043666.db2.gz FUMJFVNGETTWES-PEISPCAHSA-N 1 1 483.701 4.571 20 0 JJADMO CC[C@@H](c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC001545761758 1067045437 /nfs/dbraw/zinc/04/54/37/1067045437.db2.gz WQDXMHLQNJYJOG-FCEUIQTBSA-N 1 1 479.591 4.708 20 0 JJADMO CC[C@@H](c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC001545761757 1067045469 /nfs/dbraw/zinc/04/54/69/1067045469.db2.gz WQDXMHLQNJYJOG-CEMLEFRQSA-N 1 1 479.591 4.708 20 0 JJADMO CC[C@@H](c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1C[C@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC001545761793 1067045676 /nfs/dbraw/zinc/04/56/76/1067045676.db2.gz XGDRGLPIZXAQFY-OSADXMDESA-N 1 1 453.675 4.944 20 0 JJADMO O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)c1ccc(-c2ccc(Br)cc2)s1 ZINC001450117450 1067051171 /nfs/dbraw/zinc/05/11/71/1067051171.db2.gz OPFXSJYYUSRTJX-IBGZPJMESA-N 1 1 457.393 4.997 20 0 JJADMO C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)C3(c4ccc(F)cc4)CCCC3)cc2)C[C@H]1C ZINC001458397146 1067051650 /nfs/dbraw/zinc/05/16/50/1067051650.db2.gz PQYKTHBMWIYEHA-SZPZYZBQSA-N 1 1 452.614 4.963 20 0 JJADMO CC[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1)Oc1ccccc1F ZINC001546019592 1067052573 /nfs/dbraw/zinc/05/25/73/1067052573.db2.gz YKHNPTPAXYJQOM-ZJSXRUAMSA-N 1 1 473.637 4.683 20 0 JJADMO CC[C@@]1(C)CN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CCO1 ZINC001546100344 1067055090 /nfs/dbraw/zinc/05/50/90/1067055090.db2.gz XFTGWDJLGKQFFY-LSYYVWMOSA-N 1 1 467.702 4.827 20 0 JJADMO CCC(CC)(Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C)SC ZINC001545770940 1067056681 /nfs/dbraw/zinc/05/66/81/1067056681.db2.gz AISSJLZQGXLTRD-AEFFLSMTSA-N 1 1 495.535 4.641 20 0 JJADMO O=C(c1cccc(CSc2cc(Cl)ccc2Cl)c1)N1CC(C[NH+]2CCOCC2)C1 ZINC001450194579 1067058798 /nfs/dbraw/zinc/05/87/98/1067058798.db2.gz NKEGWWJSFGWBSE-UHFFFAOYSA-N 1 1 451.419 4.690 20 0 JJADMO CCC(CC)(Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C)SC ZINC001545771581 1067059279 /nfs/dbraw/zinc/05/92/79/1067059279.db2.gz TYDAGBIQOPPJME-NVXWUHKLSA-N 1 1 481.508 4.630 20 0 JJADMO COC(=O)Nc1ccc(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(Cl)c1 ZINC001458444991 1067061750 /nfs/dbraw/zinc/06/17/50/1067061750.db2.gz ASYZFOCOYHVRMM-BFUOFWGJSA-N 1 1 454.329 4.734 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001450233027 1067062064 /nfs/dbraw/zinc/06/20/64/1067062064.db2.gz FDRMLTONVXKBPU-CARWCEBDSA-N 1 1 455.643 4.726 20 0 JJADMO C[N@H+]1CC[C@@H](CNC(=O)c2cc(Cl)c3c(c2)OCCCO3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458449863 1067064298 /nfs/dbraw/zinc/06/42/98/1067064298.db2.gz UCKINDYNAFWLBH-XOBRGWDASA-N 1 1 453.341 4.717 20 0 JJADMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(OCc3ccccc3)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458449550 1067064470 /nfs/dbraw/zinc/06/44/70/1067064470.db2.gz RWOOYYVEURBXCW-NTKDMRAZSA-N 1 1 453.945 4.876 20 0 JJADMO C[N@H+]1CC[C@@H](CNC(=O)c2ccccc2OCc2ccncc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458452005 1067066463 /nfs/dbraw/zinc/06/64/63/1067066463.db2.gz ZEOBQOQKNVQNFS-CYFREDJKSA-N 1 1 453.945 4.876 20 0 JJADMO C[N@H+]1CC[C@H](CNC(=O)c2ccccc2OCc2ccncc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458452013 1067066501 /nfs/dbraw/zinc/06/65/01/1067066501.db2.gz ZEOBQOQKNVQNFS-NTKDMRAZSA-N 1 1 453.945 4.876 20 0 JJADMO CCOc1ccc([C@H](O)C2CCN(C(=O)[C@H]3CCCC[N@H+]3Cc3cccc(C)c3)CC2)cc1 ZINC001450415993 1067078818 /nfs/dbraw/zinc/07/88/18/1067078818.db2.gz RPPDLMBIAGZXKJ-SXOMAYOGSA-N 1 1 450.623 4.720 20 0 JJADMO C[C@H](Oc1ccccc1Br)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001458530416 1067082409 /nfs/dbraw/zinc/08/24/09/1067082409.db2.gz JJPPHUBFMUWFLT-IBGZPJMESA-N 1 1 457.412 4.731 20 0 JJADMO CC[C@@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001546102120 1067087749 /nfs/dbraw/zinc/08/77/49/1067087749.db2.gz RQJWIWHYDDHWBS-FRHFFMSDSA-N 1 1 489.749 4.959 20 0 JJADMO CCC(CC)(Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C)SC ZINC001545791401 1067088920 /nfs/dbraw/zinc/08/89/20/1067088920.db2.gz QYAMJASELLNLCS-IRLDBZIGSA-N 1 1 471.715 4.667 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCC[C@H](COc4ccccc4Cl)C3)cc2)C[C@H](C)O1 ZINC001458593494 1067092082 /nfs/dbraw/zinc/09/20/82/1067092082.db2.gz MOXPPDHTWDTEBL-VWPQPMDRSA-N 1 1 457.014 4.880 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCC[C@H](COc4ccccc4Cl)C3)cc2)C[C@H](C)O1 ZINC001458593494 1067092095 /nfs/dbraw/zinc/09/20/95/1067092095.db2.gz MOXPPDHTWDTEBL-VWPQPMDRSA-N 1 1 457.014 4.880 20 0 JJADMO CCC(CC)(Cn1c([C@H]2CCCO2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1)SC ZINC001545796555 1067096366 /nfs/dbraw/zinc/09/63/66/1067096366.db2.gz IQOOVNHAGKPMMW-UYAOXDASSA-N 1 1 463.717 4.996 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)COc1ccc2ccccc2c1Br ZINC001458628488 1067098372 /nfs/dbraw/zinc/09/83/72/1067098372.db2.gz JLHVBMHWLRMOMY-LAUBAEHRSA-N 1 1 453.380 4.618 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl ZINC001458626496 1067098625 /nfs/dbraw/zinc/09/86/25/1067098625.db2.gz HGNAAGYZKYEKQK-UTKZUKDTSA-N 1 1 458.002 4.866 20 0 JJADMO CC[C@]1(C)CN(c2nnc(CSc3ccc(C)cc3)n2CCCCn2cc[nH+]c2C)CCO1 ZINC001546102489 1067099459 /nfs/dbraw/zinc/09/94/59/1067099459.db2.gz YUOJZRUJJDBBIP-RUZDIDTESA-N 1 1 468.671 4.869 20 0 JJADMO CCC(O)(CC)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001546026037 1067117688 /nfs/dbraw/zinc/11/76/88/1067117688.db2.gz ASXKHKMLFQEXMM-UHFFFAOYSA-N 1 1 452.018 4.599 20 0 JJADMO C[C@@H]1[C@@H](NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001450806768 1067124131 /nfs/dbraw/zinc/12/41/31/1067124131.db2.gz WVIDEPXKJUJTCY-CTNGQTDRSA-N 1 1 454.640 4.592 20 0 JJADMO CC[C@H](c1nnc(S[C@@H]2CCO[C@@H](c3cccnc3)C2)n1-c1ccc(OC)cc1)[NH+](C)C ZINC001458738195 1067127507 /nfs/dbraw/zinc/12/75/07/1067127507.db2.gz RXLLMDDALBNOHZ-YPAWHYETSA-N 1 1 453.612 4.696 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001450837848 1067129614 /nfs/dbraw/zinc/12/96/14/1067129614.db2.gz RJQZBHBSOMBTRH-LADGPHEKSA-N 1 1 451.611 4.671 20 0 JJADMO C[C@]1(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC(c2cccc(Cl)c2F)=NO1 ZINC001450838730 1067129679 /nfs/dbraw/zinc/12/96/79/1067129679.db2.gz BXVHDEFIBDNIMW-UQBPGWFLSA-N 1 1 457.977 4.781 20 0 JJADMO CCCCn1c(SCc2ccc(C[NH+]3CCOCC3)cc2)nnc1-c1ccc(OC)cc1 ZINC001458748592 1067131124 /nfs/dbraw/zinc/13/11/24/1067131124.db2.gz BPWVYZOJRHPWRR-UHFFFAOYSA-N 1 1 452.624 4.878 20 0 JJADMO C[N@@H+]1CC[C@H](NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)[C@@H]1c1ccc(F)cc1 ZINC001545811288 1067139500 /nfs/dbraw/zinc/13/95/00/1067139500.db2.gz RCHIUCLZEFEOEU-LPHOPBHVSA-N 1 1 450.739 4.898 20 0 JJADMO C[N@H+]1CC[C@H](NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)[C@@H]1c1ccc(F)cc1 ZINC001545811288 1067139510 /nfs/dbraw/zinc/13/95/10/1067139510.db2.gz RCHIUCLZEFEOEU-LPHOPBHVSA-N 1 1 450.739 4.898 20 0 JJADMO CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2ccccc2C)CC1)[NH+](C)C ZINC001545814539 1067142373 /nfs/dbraw/zinc/14/23/73/1067142373.db2.gz CKQLZEGGBDYADJ-UIOOFZCWSA-N 1 1 482.717 4.517 20 0 JJADMO CC(C)(C)OC(=O)c1ccc(Br)c(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001458785731 1067146419 /nfs/dbraw/zinc/14/64/19/1067146419.db2.gz XWIVJXKXRKMMAP-GOSISDBHSA-N 1 1 459.384 4.865 20 0 JJADMO CCC(O)(CC)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001546029630 1067155250 /nfs/dbraw/zinc/15/52/50/1067155250.db2.gz LMWGQZLOUWFLRC-NHCUHLMSSA-N 1 1 457.638 4.726 20 0 JJADMO CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001451254692 1067156271 /nfs/dbraw/zinc/15/62/71/1067156271.db2.gz OGUPICGBQPOFOB-NZQKXSOJSA-N 1 1 453.602 4.920 20 0 JJADMO CCC(O)(CC)Cn1c(-c2cccc(C)n2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001546031323 1067172550 /nfs/dbraw/zinc/17/25/50/1067172550.db2.gz CSDLNMKILLFXCW-QFIPXVFZSA-N 1 1 468.690 4.681 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001545826093 1067172651 /nfs/dbraw/zinc/17/26/51/1067172651.db2.gz FMWIGSKEFNOXHR-IBGZPJMESA-N 1 1 480.682 4.514 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2)n1CC[N@H+]1CCc2sccc2C1 ZINC001545826093 1067172653 /nfs/dbraw/zinc/17/26/53/1067172653.db2.gz FMWIGSKEFNOXHR-IBGZPJMESA-N 1 1 480.682 4.514 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2F)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001545826998 1067177290 /nfs/dbraw/zinc/17/72/90/1067177290.db2.gz YQNPQCKGVFEBKB-NQIIRXRSSA-N 1 1 470.637 4.550 20 0 JJADMO COc1ccccc1-n1c(SCC[N@@H+](C)Cc2ccc(F)cc2)nnc1N1CCCCC1 ZINC001458864857 1067177843 /nfs/dbraw/zinc/17/78/43/1067177843.db2.gz XRAMYGWHWDJHTJ-UHFFFAOYSA-N 1 1 455.603 4.629 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1C[C@H]1CCCCS1 ZINC001545830393 1067181748 /nfs/dbraw/zinc/18/17/48/1067181748.db2.gz TWQPWHQKPSYFSA-DNQXCXABSA-N 1 1 498.741 4.583 20 0 JJADMO CCN1CCC([N@@H+]2CCCN(C(=O)c3ccccc3NCc3ccccc3Cl)CC2)CC1 ZINC001451670305 1067185583 /nfs/dbraw/zinc/18/55/83/1067185583.db2.gz DAFKKXPVLHQGPY-UHFFFAOYSA-N 1 1 455.046 4.584 20 0 JJADMO CCN1CCC([N@H+]2CCCN(C(=O)c3ccccc3NCc3ccccc3Cl)CC2)CC1 ZINC001451670305 1067185585 /nfs/dbraw/zinc/18/55/85/1067185585.db2.gz DAFKKXPVLHQGPY-UHFFFAOYSA-N 1 1 455.046 4.584 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1)c1ccccc1 ZINC001451873953 1067195922 /nfs/dbraw/zinc/19/59/22/1067195922.db2.gz NBYRKGTZYYWGMI-DSITVLBTSA-N 1 1 463.622 4.766 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001451879785 1067195937 /nfs/dbraw/zinc/19/59/37/1067195937.db2.gz VEDFDQZITNDPEE-SMIHKQSGSA-N 1 1 455.643 4.583 20 0 JJADMO O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)c1cccc(COc2cccc(F)c2)c1 ZINC001458918030 1067196410 /nfs/dbraw/zinc/19/64/10/1067196410.db2.gz ZMDLZELRXYGBQG-DEOSSOPVSA-N 1 1 450.579 4.752 20 0 JJADMO O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)c1cccc(COc2cccc(F)c2)c1 ZINC001458918030 1067196422 /nfs/dbraw/zinc/19/64/22/1067196422.db2.gz ZMDLZELRXYGBQG-DEOSSOPVSA-N 1 1 450.579 4.752 20 0 JJADMO O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)c1cccc(COc2cccc(F)c2)c1 ZINC001458918032 1067196636 /nfs/dbraw/zinc/19/66/36/1067196636.db2.gz ZMDLZELRXYGBQG-XMMPIXPASA-N 1 1 450.579 4.752 20 0 JJADMO O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)c1cccc(COc2cccc(F)c2)c1 ZINC001458918032 1067196639 /nfs/dbraw/zinc/19/66/39/1067196639.db2.gz ZMDLZELRXYGBQG-XMMPIXPASA-N 1 1 450.579 4.752 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001545848907 1067201656 /nfs/dbraw/zinc/20/16/56/1067201656.db2.gz HVJZRBAESWJNCM-STAYPELNSA-N 1 1 494.728 4.980 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H](C)C2)n1C[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001545849947 1067204922 /nfs/dbraw/zinc/20/49/22/1067204922.db2.gz XAUYDSPBKYTWPH-DNRQZRRGSA-N 1 1 480.701 4.516 20 0 JJADMO Cc1ccc2nc(-c3cccs3)cc(C(=O)N3CCC(C[N@H+](CCO)C(C)C)CC3)c2c1 ZINC001452063379 1067206056 /nfs/dbraw/zinc/20/60/56/1067206056.db2.gz CIEQSIWHBVKRJG-UHFFFAOYSA-N 1 1 451.636 4.827 20 0 JJADMO O=C(CCc1cccc(OCc2ccccc2)c1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001458970745 1067213109 /nfs/dbraw/zinc/21/31/09/1067213109.db2.gz DKELNQQHXAPCMA-MUUNZHRXSA-N 1 1 458.602 4.606 20 0 JJADMO Cc1cc(F)ccc1-c1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1F ZINC001458974588 1067214274 /nfs/dbraw/zinc/21/42/74/1067214274.db2.gz PDSKRWJJEZGOMH-HSZRJFAPSA-N 1 1 450.529 4.961 20 0 JJADMO C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC001452769567 1067250671 /nfs/dbraw/zinc/25/06/71/1067250671.db2.gz JFGSUEPBQZHDDA-FFHOAYQKSA-N 1 1 455.593 4.654 20 0 JJADMO C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC001452769567 1067250677 /nfs/dbraw/zinc/25/06/77/1067250677.db2.gz JFGSUEPBQZHDDA-FFHOAYQKSA-N 1 1 455.593 4.654 20 0 JJADMO C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)cc1 ZINC001452980634 1067270113 /nfs/dbraw/zinc/27/01/13/1067270113.db2.gz YMEJVWGOLWNKSG-HYBUGGRVSA-N 1 1 451.611 4.661 20 0 JJADMO COc1ccc(C[N@@H+](C)CC[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1F ZINC001459307097 1067289109 /nfs/dbraw/zinc/28/91/09/1067289109.db2.gz AQLPIVISMLXKPW-XMMPIXPASA-N 1 1 456.583 4.684 20 0 JJADMO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC001459309069 1067289730 /nfs/dbraw/zinc/28/97/30/1067289730.db2.gz DOFMCTIVXKKPGX-QGZVFWFLSA-N 1 1 458.624 4.865 20 0 JJADMO O=C(NCCCCCCc1nc(-c2ccc(Cl)cc2)no1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001459319626 1067293722 /nfs/dbraw/zinc/29/37/22/1067293722.db2.gz BGWPRFFIASQUEA-UHFFFAOYSA-N 1 1 450.930 4.504 20 0 JJADMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1ccc(Cl)c(Cl)c1 ZINC001459341445 1067298289 /nfs/dbraw/zinc/29/82/89/1067298289.db2.gz FVVRERCTFPSLFL-UHFFFAOYSA-N 1 1 454.423 4.883 20 0 JJADMO CC(C)[N@H+](Cc1ccc(Br)cc1)C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC001459347000 1067299729 /nfs/dbraw/zinc/29/97/29/1067299729.db2.gz BMYBEGVZXUOZKZ-LJQANCHMSA-N 1 1 453.421 4.828 20 0 JJADMO Cc1ccc(S(=O)(=O)N[C@H](C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c2ccccc2)cc1 ZINC001459350428 1067300459 /nfs/dbraw/zinc/30/04/59/1067300459.db2.gz XQGGRMHTCNVDBP-AOYPEHQESA-N 1 1 452.595 4.861 20 0 JJADMO Cc1cc(NC(=O)C[N@H+](Cc2cccc(Br)c2)C2CC2)n(-c2ccccc2F)n1 ZINC001459387248 1067310036 /nfs/dbraw/zinc/31/00/36/1067310036.db2.gz QRMQYUQCNYEZDT-UHFFFAOYSA-N 1 1 457.347 4.685 20 0 JJADMO Cc1cc(NC(=O)C[N@@H+](Cc2cccc(Br)c2)C2CC2)n(-c2ccccc2F)n1 ZINC001459387248 1067310048 /nfs/dbraw/zinc/31/00/48/1067310048.db2.gz QRMQYUQCNYEZDT-UHFFFAOYSA-N 1 1 457.347 4.685 20 0 JJADMO CCOC(=O)c1ccc(NC(=O)C[N@H+](CCOC)[C@@H](C)c2cccc(C(F)(F)F)c2)cc1 ZINC001459387714 1067310608 /nfs/dbraw/zinc/31/06/08/1067310608.db2.gz NHEXRFMYZHQRMH-INIZCTEOSA-N 1 1 452.473 4.530 20 0 JJADMO CCOC(=O)c1ccc(NC(=O)C[N@@H+](CCOC)[C@@H](C)c2cccc(C(F)(F)F)c2)cc1 ZINC001459387714 1067310620 /nfs/dbraw/zinc/31/06/20/1067310620.db2.gz NHEXRFMYZHQRMH-INIZCTEOSA-N 1 1 452.473 4.530 20 0 JJADMO COc1cccc(S(=O)(=O)CC[N@@H+](Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@@H](C)[C@H]2C)c1 ZINC001459388299 1067310766 /nfs/dbraw/zinc/31/07/66/1067310766.db2.gz AWLMZMQYLQIKED-DNVFCKCGSA-N 1 1 459.608 4.525 20 0 JJADMO CCOC(=O)c1ccc(NC(=O)C[N@H+](CCOC)[C@H](C)c2cccc(C(F)(F)F)c2)cc1 ZINC001459387718 1067310795 /nfs/dbraw/zinc/31/07/95/1067310795.db2.gz NHEXRFMYZHQRMH-MRXNPFEDSA-N 1 1 452.473 4.530 20 0 JJADMO CCOC(=O)c1ccc(NC(=O)C[N@@H+](CCOC)[C@H](C)c2cccc(C(F)(F)F)c2)cc1 ZINC001459387718 1067310805 /nfs/dbraw/zinc/31/08/05/1067310805.db2.gz NHEXRFMYZHQRMH-MRXNPFEDSA-N 1 1 452.473 4.530 20 0 JJADMO CC(=O)Nc1ccc(S(=O)(=O)CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C(C)C)cc1 ZINC001459395529 1067312523 /nfs/dbraw/zinc/31/25/23/1067312523.db2.gz RGVINXRYROVLJC-UHFFFAOYSA-N 1 1 456.530 4.738 20 0 JJADMO CC(=O)Nc1ccc(S(=O)(=O)CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C(C)C)cc1 ZINC001459395529 1067312536 /nfs/dbraw/zinc/31/25/36/1067312536.db2.gz RGVINXRYROVLJC-UHFFFAOYSA-N 1 1 456.530 4.738 20 0 JJADMO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001459413823 1067318079 /nfs/dbraw/zinc/31/80/79/1067318079.db2.gz JBEYRBJMGUGYAX-IFMALSPDSA-N 1 1 451.611 4.841 20 0 JJADMO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001459413823 1067318083 /nfs/dbraw/zinc/31/80/83/1067318083.db2.gz JBEYRBJMGUGYAX-IFMALSPDSA-N 1 1 451.611 4.841 20 0 JJADMO COc1ccc(N=c2scc(CN3CCC[N@H+](C(C)C)CC3)n2Cc2ccccc2)cc1 ZINC001459422713 1067321108 /nfs/dbraw/zinc/32/11/08/1067321108.db2.gz CVVASLYITLKBPI-UHFFFAOYSA-N 1 1 450.652 4.755 20 0 JJADMO CCOC(=O)c1ccccc1NC(=O)C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCC(C)CC1 ZINC001459423640 1067321719 /nfs/dbraw/zinc/32/17/19/1067321719.db2.gz FEGFNXGIVAXGHB-UHFFFAOYSA-N 1 1 452.551 4.611 20 0 JJADMO CC[C@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)O1 ZINC001546054640 1067327716 /nfs/dbraw/zinc/32/77/16/1067327716.db2.gz PYOAWVFTXQHTHJ-JEYPMZLKSA-N 1 1 453.675 4.925 20 0 JJADMO Cc1ccc(NC(=O)C[N@H+](Cc2ccccc2)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1F ZINC001459460748 1067329582 /nfs/dbraw/zinc/32/95/82/1067329582.db2.gz WVRIZDVYVCFFRW-QFIPXVFZSA-N 1 1 455.574 4.974 20 0 JJADMO Cc1ccc(NC(=O)C[N@@H+](Cc2ccccc2)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1F ZINC001459460748 1067329595 /nfs/dbraw/zinc/32/95/95/1067329595.db2.gz WVRIZDVYVCFFRW-QFIPXVFZSA-N 1 1 455.574 4.974 20 0 JJADMO C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@@H+](C)CCc1ccc(Br)cc1 ZINC001459471849 1067333939 /nfs/dbraw/zinc/33/39/39/1067333939.db2.gz XZMDUZFDLWYKOF-VIFPVBQESA-N 1 1 451.233 4.646 20 0 JJADMO CC(C)(C)OC(=O)N1CCN(C(=O)CC[N@H+]2CCCCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC001459490405 1067337544 /nfs/dbraw/zinc/33/75/44/1067337544.db2.gz OZHLBTPOVAAQFG-NRFANRHFSA-N 1 1 450.023 4.727 20 0 JJADMO COc1cccc([C@@H](C)[NH+]2CCN(Cc3ncc(-c4ccc(Br)cc4)o3)CC2)c1 ZINC001459490460 1067337733 /nfs/dbraw/zinc/33/77/33/1067337733.db2.gz ZOIPVLMGEUVNFN-QGZVFWFLSA-N 1 1 456.384 4.992 20 0 JJADMO C[N@H+](CCOc1ccc(OCc2ccccc2)cc1)[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC001459493301 1067337969 /nfs/dbraw/zinc/33/79/69/1067337969.db2.gz UYYJZWWKNTVKRX-XMMPIXPASA-N 1 1 452.501 4.660 20 0 JJADMO C[N@@H+](CCOc1ccc(OCc2ccccc2)cc1)[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC001459493301 1067337981 /nfs/dbraw/zinc/33/79/81/1067337981.db2.gz UYYJZWWKNTVKRX-XMMPIXPASA-N 1 1 452.501 4.660 20 0 JJADMO Cc1ccc(COc2c(C)cc(C[N@@H+](C)Cc3ccc(S(=O)(=O)N(C)C)o3)cc2C)cc1 ZINC001459494742 1067338613 /nfs/dbraw/zinc/33/86/13/1067338613.db2.gz VZSCUBMKQSXJPH-UHFFFAOYSA-N 1 1 456.608 4.666 20 0 JJADMO Cc1ccc(COc2c(C)cc(C[N@H+](C)Cc3ccc(S(=O)(=O)N(C)C)o3)cc2C)cc1 ZINC001459494742 1067338628 /nfs/dbraw/zinc/33/86/28/1067338628.db2.gz VZSCUBMKQSXJPH-UHFFFAOYSA-N 1 1 456.608 4.666 20 0 JJADMO CC(C)(C)CN1CCC[C@H]([NH+]2CCN(c3cccc(OCc4ccc(F)cc4)c3)CC2)C1=O ZINC001459504733 1067339800 /nfs/dbraw/zinc/33/98/00/1067339800.db2.gz UPTOARBDCSRKLD-VWLOTQADSA-N 1 1 453.602 4.564 20 0 JJADMO CCN(CC1CC[NH+](Cc2nc3cc(Br)ccc3[nH]2)CC1)C(=O)OC(C)(C)C ZINC001459558499 1067351022 /nfs/dbraw/zinc/35/10/22/1067351022.db2.gz IUZPEGIKTQBAFX-UHFFFAOYSA-N 1 1 451.409 4.794 20 0 JJADMO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC001459561074 1067351755 /nfs/dbraw/zinc/35/17/55/1067351755.db2.gz CEYSZFLXEUSPCS-JTHBVZDNSA-N 1 1 456.428 4.507 20 0 JJADMO COc1ccccc1-c1ccc([C@H](C)[N@@H+](C)Cc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC001459580553 1067356804 /nfs/dbraw/zinc/35/68/04/1067356804.db2.gz AERSMYUSUYEBFT-IBGZPJMESA-N 1 1 450.604 4.996 20 0 JJADMO CCCCn1c(C[N@@H+]2CCC[C@@](C)(CCC)C2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC001459590342 1067358769 /nfs/dbraw/zinc/35/87/69/1067358769.db2.gz XEFGVTGWQRHYJD-AREMUKBSSA-N 1 1 451.615 4.549 20 0 JJADMO CCCCn1c(C[N@H+]2CCC[C@@](C)(CCC)C2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC001459590342 1067358781 /nfs/dbraw/zinc/35/87/81/1067358781.db2.gz XEFGVTGWQRHYJD-AREMUKBSSA-N 1 1 451.615 4.549 20 0 JJADMO CCc1ccc(-c2cc(NC(=O)CN(C)[C@H]3CC[N@H+](CC)[C@H](C)C3)n(-c3ccccc3)n2)cc1 ZINC001459612438 1067364044 /nfs/dbraw/zinc/36/40/44/1067364044.db2.gz FOSLFPJFTDHEMJ-BWKNWUBXSA-N 1 1 459.638 4.845 20 0 JJADMO CCCCCC[N@@H+](CCN1CCOCC1)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001459615503 1067364980 /nfs/dbraw/zinc/36/49/80/1067364980.db2.gz SHWNSKJMAVRHIK-UHFFFAOYSA-N 1 1 459.675 4.694 20 0 JJADMO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)CC[C@@H]1c1ccccc1 ZINC001459624074 1067366751 /nfs/dbraw/zinc/36/67/51/1067366751.db2.gz CKWBHBDGVZOWRB-HLIPFELVSA-N 1 1 459.512 4.895 20 0 JJADMO CCOc1cc(C[N@H+](Cc2cc(F)ccc2F)C2CCCC2)nc2nc(C(F)(F)F)nn21 ZINC001459625377 1067367091 /nfs/dbraw/zinc/36/70/91/1067367091.db2.gz RSFQXRZNMHVYHZ-UHFFFAOYSA-N 1 1 455.431 4.765 20 0 JJADMO CCOc1cc(C[N@@H+](Cc2cc(F)ccc2F)C2CCCC2)nc2nc(C(F)(F)F)nn21 ZINC001459625377 1067367103 /nfs/dbraw/zinc/36/71/03/1067367103.db2.gz RSFQXRZNMHVYHZ-UHFFFAOYSA-N 1 1 455.431 4.765 20 0 JJADMO CC[C@H]1C[N@@H+](Cc2nc3cc(S(=O)(=O)N(CC)CC)ccc3[nH]2)CC[C@@H]1c1ccccc1 ZINC001459627881 1067368069 /nfs/dbraw/zinc/36/80/69/1067368069.db2.gz PPVUYANZXZJFEY-UGKGYDQZSA-N 1 1 454.640 4.609 20 0 JJADMO CCN(C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2nc(-c3ccc(C)cc3)cs2)C1)CC(F)(F)F ZINC001459631154 1067368728 /nfs/dbraw/zinc/36/87/28/1067368728.db2.gz KSFIVNGDKSIZQT-DLBZAZTESA-N 1 1 454.562 4.652 20 0 JJADMO CCN(C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2nc(-c3ccc(C)cc3)cs2)C1)CC(F)(F)F ZINC001459631154 1067368740 /nfs/dbraw/zinc/36/87/40/1067368740.db2.gz KSFIVNGDKSIZQT-DLBZAZTESA-N 1 1 454.562 4.652 20 0 JJADMO CC[N@@H+](CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)C[C@H](O)c1ccc(C)cc1 ZINC001459633833 1067369321 /nfs/dbraw/zinc/36/93/21/1067369321.db2.gz COLICXKTTWTQLQ-LSYYVWMOSA-N 1 1 455.602 4.780 20 0 JJADMO CC[N@H+](CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)C[C@H](O)c1ccc(C)cc1 ZINC001459633833 1067369334 /nfs/dbraw/zinc/36/93/34/1067369334.db2.gz COLICXKTTWTQLQ-LSYYVWMOSA-N 1 1 455.602 4.780 20 0 JJADMO Cc1cc(NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)ccc1Br ZINC001459636808 1067369581 /nfs/dbraw/zinc/36/95/81/1067369581.db2.gz QDPMLWXWNPQGTI-HNNXBMFYSA-N 1 1 456.425 4.567 20 0 JJADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1)c1ccccc1 ZINC001459656343 1067373021 /nfs/dbraw/zinc/37/30/21/1067373021.db2.gz QKJIBHLQVCZWLR-KRWDZBQOSA-N 1 1 454.368 4.746 20 0 JJADMO O=C(NC[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1)c1ccccc1 ZINC001459656343 1067373032 /nfs/dbraw/zinc/37/30/32/1067373032.db2.gz QKJIBHLQVCZWLR-KRWDZBQOSA-N 1 1 454.368 4.746 20 0 JJADMO O=C(NC[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1)c1ccccc1 ZINC001459656346 1067373050 /nfs/dbraw/zinc/37/30/50/1067373050.db2.gz QKJIBHLQVCZWLR-QGZVFWFLSA-N 1 1 454.368 4.746 20 0 JJADMO O=C(NC[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1)c1ccccc1 ZINC001459656346 1067373061 /nfs/dbraw/zinc/37/30/61/1067373061.db2.gz QKJIBHLQVCZWLR-QGZVFWFLSA-N 1 1 454.368 4.746 20 0 JJADMO C[N@H+]1CCC[C@@H]2CN(CC(=O)Nc3ccc(Oc4ccc(Br)cc4)cc3)CC[C@@H]21 ZINC001459657879 1067373191 /nfs/dbraw/zinc/37/31/91/1067373191.db2.gz QVYPHIWONWGJRA-VGSWGCGISA-N 1 1 458.400 4.596 20 0 JJADMO COc1cc(OC)c(NC(=O)C[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)cc1Cl ZINC001459662524 1067375064 /nfs/dbraw/zinc/37/50/64/1067375064.db2.gz KOVLKJFMOQCKJF-UHFFFAOYSA-N 1 1 457.933 4.575 20 0 JJADMO COc1cc(OC)c(NC(=O)C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)cc1Cl ZINC001459662524 1067375078 /nfs/dbraw/zinc/37/50/78/1067375078.db2.gz KOVLKJFMOQCKJF-UHFFFAOYSA-N 1 1 457.933 4.575 20 0 JJADMO COc1cc(C)c([C@H](C)NC(=O)C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)cc1OC ZINC001459668490 1067377468 /nfs/dbraw/zinc/37/74/68/1067377468.db2.gz HIEAUNUXGBUZQT-ODGPQVTHSA-N 1 1 454.611 4.558 20 0 JJADMO CS(=O)(=O)c1ccc(-c2nc(C[N@@H+]3CCCCC[C@H]3C[C@@H](O)c3ccccc3)co2)cc1 ZINC001459669553 1067378493 /nfs/dbraw/zinc/37/84/93/1067378493.db2.gz IXQPMQDDFUUMRH-LADGPHEKSA-N 1 1 454.592 4.613 20 0 JJADMO CS(=O)(=O)c1ccc(-c2nc(C[N@H+]3CCCCC[C@H]3C[C@@H](O)c3ccccc3)co2)cc1 ZINC001459669553 1067378505 /nfs/dbraw/zinc/37/85/05/1067378505.db2.gz IXQPMQDDFUUMRH-LADGPHEKSA-N 1 1 454.592 4.613 20 0 JJADMO NC(=O)C[N@@H+](Cc1ccc(OCc2ccccc2)cc1)C[C@H](O)c1ccc(Cl)cc1Cl ZINC001459675141 1067380400 /nfs/dbraw/zinc/38/04/00/1067380400.db2.gz CFZKDFWPMVSKRZ-QHCPKHFHSA-N 1 1 459.373 4.593 20 0 JJADMO NC(=O)C[N@H+](Cc1ccc(OCc2ccccc2)cc1)C[C@H](O)c1ccc(Cl)cc1Cl ZINC001459675141 1067380410 /nfs/dbraw/zinc/38/04/10/1067380410.db2.gz CFZKDFWPMVSKRZ-QHCPKHFHSA-N 1 1 459.373 4.593 20 0 JJADMO Cc1cc(C)c(CCNC(=O)C[N@H+]2CCCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)c(C)c1 ZINC001459684496 1067382803 /nfs/dbraw/zinc/38/28/03/1067382803.db2.gz IMGMEOMMHCYFRB-BJKOFHAPSA-N 1 1 457.659 4.525 20 0 JJADMO C[C@@H](c1ccc(Br)cc1)[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC001459699953 1067387691 /nfs/dbraw/zinc/38/76/91/1067387691.db2.gz JJJGRDBJAXXNGT-GJZGRUSLSA-N 1 1 457.368 4.824 20 0 JJADMO CCCc1ccc(-c2csc(NC(=O)C[NH2+][C@H](c3ccccc3)[C@@H](C)C(=O)OC)n2)cc1 ZINC001459703528 1067388676 /nfs/dbraw/zinc/38/86/76/1067388676.db2.gz FDNZTDPRZFCARR-HXOBKFHXSA-N 1 1 451.592 4.841 20 0 JJADMO C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+](C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)C1=O ZINC001459706987 1067390024 /nfs/dbraw/zinc/39/00/24/1067390024.db2.gz HHLXEWQSFHTJOW-MHECFPHRSA-N 1 1 452.549 4.592 20 0 JJADMO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC001459712337 1067392021 /nfs/dbraw/zinc/39/20/21/1067392021.db2.gz BJVHNDBEFGPQPL-GOEBONIOSA-N 1 1 458.921 4.744 20 0 JJADMO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC001459712337 1067392030 /nfs/dbraw/zinc/39/20/30/1067392030.db2.gz BJVHNDBEFGPQPL-GOEBONIOSA-N 1 1 458.921 4.744 20 0 JJADMO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC001459716183 1067393742 /nfs/dbraw/zinc/39/37/42/1067393742.db2.gz UNRZQXLMZBHWBJ-MAUKXSAKSA-N 1 1 458.484 4.553 20 0 JJADMO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)cs2)cc1 ZINC001459716595 1067394239 /nfs/dbraw/zinc/39/42/39/1067394239.db2.gz CSUXSIVFPWTHLU-QFBILLFUSA-N 1 1 459.612 4.722 20 0 JJADMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)cs2)cc1 ZINC001459716595 1067394250 /nfs/dbraw/zinc/39/42/50/1067394250.db2.gz CSUXSIVFPWTHLU-QFBILLFUSA-N 1 1 459.612 4.722 20 0 JJADMO Cc1cc(C)cc(OCc2noc(C[NH2+][C@]3(CNC(=O)OC(C)(C)C)CCCC[C@@H]3C)n2)c1 ZINC001459716738 1067394424 /nfs/dbraw/zinc/39/44/24/1067394424.db2.gz GWWYKVJKYGJXFD-DFBJGRDBSA-N 1 1 458.603 4.829 20 0 JJADMO COc1ccc([C@H](CNC(=O)C[N@H+](C)[C@@H](C)c2cccc(O)c2)c2c[nH]c3ccccc32)cc1 ZINC001459718417 1067394894 /nfs/dbraw/zinc/39/48/94/1067394894.db2.gz KJTUVVZXMGSCJW-DFBJGRDBSA-N 1 1 457.574 4.823 20 0 JJADMO COc1ccc([C@H](CNC(=O)C[N@@H+](C)[C@@H](C)c2cccc(O)c2)c2c[nH]c3ccccc32)cc1 ZINC001459718417 1067394904 /nfs/dbraw/zinc/39/49/04/1067394904.db2.gz KJTUVVZXMGSCJW-DFBJGRDBSA-N 1 1 457.574 4.823 20 0 JJADMO COc1cc2ccccc2cc1-c1nnc(C[NH+]2CCC(CNC(=O)OC(C)(C)C)CC2)o1 ZINC001459749094 1067405387 /nfs/dbraw/zinc/40/53/87/1067405387.db2.gz SFUHGCYGBBHMHG-UHFFFAOYSA-N 1 1 452.555 4.635 20 0 JJADMO COc1ccc([C@@H]([NH2+]CC(=O)N(C)Cc2ccccc2)c2ccccc2)cc1Br ZINC001459755192 1067408540 /nfs/dbraw/zinc/40/85/40/1067408540.db2.gz SSAZWZRLHNOYDZ-DEOSSOPVSA-N 1 1 453.380 4.795 20 0 JJADMO COCCOCC[N@H+](Cc1ccccc1)Cc1ccc(I)cc1Cl ZINC001459771969 1067415639 /nfs/dbraw/zinc/41/56/39/1067415639.db2.gz OFBDVCLACCOVRW-UHFFFAOYSA-N 1 1 459.755 4.610 20 0 JJADMO COCCOCC[N@@H+](Cc1ccccc1)Cc1ccc(I)cc1Cl ZINC001459771969 1067415642 /nfs/dbraw/zinc/41/56/42/1067415642.db2.gz OFBDVCLACCOVRW-UHFFFAOYSA-N 1 1 459.755 4.610 20 0 JJADMO C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001459782403 1067419465 /nfs/dbraw/zinc/41/94/65/1067419465.db2.gz YPXVFKQFVHRFTF-LVCYWYKZSA-N 1 1 450.023 4.629 20 0 JJADMO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC001459788375 1067422879 /nfs/dbraw/zinc/42/28/79/1067422879.db2.gz BODVOTWSWPFRQT-MBSDFSHPSA-N 1 1 454.018 4.868 20 0 JJADMO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 ZINC001459792852 1067425536 /nfs/dbraw/zinc/42/55/36/1067425536.db2.gz WDKWFECZMOBFBV-WDZJFXIESA-N 1 1 454.634 4.671 20 0 JJADMO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC001459794498 1067426681 /nfs/dbraw/zinc/42/66/81/1067426681.db2.gz BPPPLOOXMFAOLK-IBGZPJMESA-N 1 1 459.034 4.760 20 0 JJADMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3cccc(SC(F)(F)F)c3)C2)cc1 ZINC001459795096 1067427016 /nfs/dbraw/zinc/42/70/16/1067427016.db2.gz JFUSJMRMWYEQEW-SFHVURJKSA-N 1 1 458.571 4.797 20 0 JJADMO COc1ccc(N=c2scc(C[N@H+]3CCC[C@@](C)(CO)C3)n2[C@@H](C)c2ccccc2)cc1 ZINC001459798571 1067428713 /nfs/dbraw/zinc/42/87/13/1067428713.db2.gz SUWPDFJRUBXRGN-RXFWQSSRSA-N 1 1 451.636 4.994 20 0 JJADMO CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CC[N@@H+]1[C@H](C)C(=O)NCc1ccccc1F ZINC001459817423 1067436446 /nfs/dbraw/zinc/43/64/46/1067436446.db2.gz CSMQMUWNBXRBHM-DYESRHJHSA-N 1 1 451.508 4.840 20 0 JJADMO CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CC[N@H+]1[C@H](C)C(=O)NCc1ccccc1F ZINC001459817423 1067436448 /nfs/dbraw/zinc/43/64/48/1067436448.db2.gz CSMQMUWNBXRBHM-DYESRHJHSA-N 1 1 451.508 4.840 20 0 JJADMO COc1ccc([C@@H](C)[NH2+][C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)c(Br)c1 ZINC001459818159 1067437052 /nfs/dbraw/zinc/43/70/52/1067437052.db2.gz IJUFCIPEXANYQM-XCLFUZPHSA-N 1 1 453.327 4.578 20 0 JJADMO CCC1(CC)CCN(c2nnc(Cn3nc(C)cc3C)n2CCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC001546112100 1067439197 /nfs/dbraw/zinc/43/91/97/1067439197.db2.gz CTGYTUFZHNJMNA-NRFANRHFSA-N 1 1 455.695 4.668 20 0 JJADMO C[C@H]([NH2+][C@H]1CN(C(=O)OC(C)(C)C)c2ccccc2[C@H]1O)c1ccc(F)cc1OC(F)F ZINC001459825956 1067440801 /nfs/dbraw/zinc/44/08/01/1067440801.db2.gz VWFPVIFUVFJDJH-QKMWGZLOSA-N 1 1 452.473 4.935 20 0 JJADMO O[C@H](C[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1)c1ccc(F)c(Br)c1 ZINC001459851035 1067456153 /nfs/dbraw/zinc/45/61/53/1067456153.db2.gz GFBJYITZJDCSGL-QFBILLFUSA-N 1 1 451.384 4.667 20 0 JJADMO O[C@H](C[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1)c1ccc(F)c(Br)c1 ZINC001459851035 1067456159 /nfs/dbraw/zinc/45/61/59/1067456159.db2.gz GFBJYITZJDCSGL-QFBILLFUSA-N 1 1 451.384 4.667 20 0 JJADMO CC(C)(C)OC(=O)NC[C@H]([NH2+]CC(=O)N(C1CC1)C1CCCC1)c1ccc2ccccc2c1 ZINC001459853724 1067458247 /nfs/dbraw/zinc/45/82/47/1067458247.db2.gz WOSMIHWCPDADRN-DEOSSOPVSA-N 1 1 451.611 4.929 20 0 JJADMO C[S@](=O)C[C@@H]([NH2+]CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)c1ccccc1 ZINC001459855799 1067459321 /nfs/dbraw/zinc/45/93/21/1067459321.db2.gz ZPRGAQBSJRVAOX-SRGMZFCMSA-N 1 1 454.206 4.948 20 0 JJADMO CCC1(CC)CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001546112306 1067459918 /nfs/dbraw/zinc/45/99/18/1067459918.db2.gz MDNFERDBEBCOHP-DEOSSOPVSA-N 1 1 483.701 4.991 20 0 JJADMO OC1(Cc2ccc(OC(F)(F)F)cc2)CC[NH+](Cc2ccn(CCc3ccccc3)n2)CC1 ZINC001459864563 1067462978 /nfs/dbraw/zinc/46/29/78/1067462978.db2.gz HOTUVPNOYBAOEA-UHFFFAOYSA-N 1 1 459.512 4.594 20 0 JJADMO Cc1cc(C[N@@H+]2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(C)cc1I ZINC001459864753 1067463600 /nfs/dbraw/zinc/46/36/00/1067463600.db2.gz USPGISHZTMQUMX-HOTGVXAUSA-N 1 1 458.384 4.643 20 0 JJADMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(OC)cc2I)cc1)C(C)C ZINC001459871027 1067467399 /nfs/dbraw/zinc/46/73/99/1067467399.db2.gz KUEXHXBMVKJKKJ-UHFFFAOYSA-N 1 1 452.336 4.782 20 0 JJADMO COc1ccc(C(NC(=O)C[N@@H+](C)CCc2ccc(Cl)cc2)c2ccc(OC)cc2)cc1 ZINC001459874099 1067468842 /nfs/dbraw/zinc/46/88/42/1067468842.db2.gz LZKVVEMXRLSUKS-UHFFFAOYSA-N 1 1 452.982 4.737 20 0 JJADMO CCC1(CC)CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001546112418 1067469871 /nfs/dbraw/zinc/46/98/71/1067469871.db2.gz QOAVCNAETUQXRI-HSZRJFAPSA-N 1 1 463.674 4.677 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1cc(F)c(F)cc1Br ZINC001459894808 1067477223 /nfs/dbraw/zinc/47/72/23/1067477223.db2.gz GXZAJUADDXUBMF-SJLPKXTDSA-N 1 1 451.355 4.892 20 0 JJADMO COc1cc2nc(C[NH2+][C@@H](C)c3sc(-c4ccc(F)cc4)nc3C)[nH]c(=O)c2cc1OC ZINC001459901232 1067480343 /nfs/dbraw/zinc/48/03/43/1067480343.db2.gz FTAYDFFJSGVQTP-LBPRGKRZSA-N 1 1 454.527 4.774 20 0 JJADMO C[N@@H+](CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001459911584 1067486880 /nfs/dbraw/zinc/48/68/80/1067486880.db2.gz XKQZYTHOTOGZAF-IFMALSPDSA-N 1 1 457.546 4.803 20 0 JJADMO CCOC(=O)C1=C(C[NH2+][C@@H](C)c2ccc(Cl)s2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001459915913 1067488979 /nfs/dbraw/zinc/48/89/79/1067488979.db2.gz XFDDWTURYMNUHE-VOJFVSQTSA-N 1 1 454.379 4.577 20 0 JJADMO CC[C@H]1CN([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC[N@H+]1Cc1ccccc1 ZINC001459918234 1067490427 /nfs/dbraw/zinc/49/04/27/1067490427.db2.gz XJLAEZCFRCIOFO-BJKOFHAPSA-N 1 1 459.556 4.793 20 0 JJADMO CC[C@H]1C[N@@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CCN1Cc1ccccc1 ZINC001459918234 1067490436 /nfs/dbraw/zinc/49/04/36/1067490436.db2.gz XJLAEZCFRCIOFO-BJKOFHAPSA-N 1 1 459.556 4.793 20 0 JJADMO CC[C@H]1C[N@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CCN1Cc1ccccc1 ZINC001459918234 1067490444 /nfs/dbraw/zinc/49/04/44/1067490444.db2.gz XJLAEZCFRCIOFO-BJKOFHAPSA-N 1 1 459.556 4.793 20 0 JJADMO C[C@@H]([NH2+]CC(=O)Nc1cccc(CN2CCSCC2)c1)C(c1ccccc1)c1ccccc1 ZINC001459927618 1067495462 /nfs/dbraw/zinc/49/54/62/1067495462.db2.gz TWXOXGUMLRWXOI-JOCHJYFZSA-N 1 1 459.659 4.984 20 0 JJADMO C[C@H](N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC001459928288 1067495510 /nfs/dbraw/zinc/49/55/10/1067495510.db2.gz ZEWZERDDIINCGQ-ONTIZHBOSA-N 1 1 452.668 4.944 20 0 JJADMO CCOc1ccc([C@@H](C)NC(=O)C[N@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)cc1OC ZINC001459930644 1067496023 /nfs/dbraw/zinc/49/60/23/1067496023.db2.gz KVBBFCPJPSXKGD-APWZRJJASA-N 1 1 450.501 4.779 20 0 JJADMO CC(C)OC(=O)C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccccc1 ZINC001459937711 1067499661 /nfs/dbraw/zinc/49/96/61/1067499661.db2.gz RSJQKGYAOQCCPR-OAQYLSRUSA-N 1 1 452.551 4.729 20 0 JJADMO CCC[N@@H+](C)[C@@H](CNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1)c1ccc(Cl)cc1 ZINC001459947886 1067502916 /nfs/dbraw/zinc/50/29/16/1067502916.db2.gz YOHPBGPOBGOQGU-QPPBQGQZSA-N 1 1 456.030 4.899 20 0 JJADMO COC(=O)c1scc(C)c1NC(=O)[C@H](C)[N@H+](C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC001459948611 1067503441 /nfs/dbraw/zinc/50/34/41/1067503441.db2.gz BSYVGLYJLHCGNW-STQMWFEESA-N 1 1 459.395 4.876 20 0 JJADMO COC(=O)c1scc(C)c1NC(=O)[C@H](C)[N@@H+](C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC001459948611 1067503449 /nfs/dbraw/zinc/50/34/49/1067503449.db2.gz BSYVGLYJLHCGNW-STQMWFEESA-N 1 1 459.395 4.876 20 0 JJADMO CC(C)[C@H](CNC(=O)C[N@H+]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccccc1 ZINC001459951500 1067504780 /nfs/dbraw/zinc/50/47/80/1067504780.db2.gz CAZRDQUOFZIJOV-QHCPKHFHSA-N 1 1 457.659 4.656 20 0 JJADMO CO[C@H](C)c1noc(C[N@@H+]2CCCC[C@@H]2[C@@H](CNC(=O)OC(C)(C)C)Cc2ccccc2)n1 ZINC001459959511 1067507695 /nfs/dbraw/zinc/50/76/95/1067507695.db2.gz COQQSPNQXYJHTF-HMXCVIKNSA-N 1 1 458.603 4.515 20 0 JJADMO CO[C@H](C)c1noc(C[N@H+]2CCCC[C@@H]2[C@@H](CNC(=O)OC(C)(C)C)Cc2ccccc2)n1 ZINC001459959511 1067507704 /nfs/dbraw/zinc/50/77/04/1067507704.db2.gz COQQSPNQXYJHTF-HMXCVIKNSA-N 1 1 458.603 4.515 20 0 JJADMO O=C(NC1CC1)[C@@H](c1ccc(F)cc1)[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC001459971006 1067510779 /nfs/dbraw/zinc/51/07/79/1067510779.db2.gz DLKOWRCEIVQXAD-JOCHJYFZSA-N 1 1 450.476 4.955 20 0 JJADMO CC[C@H](Cc1ccccc1Br)[N@@H+](C)CC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1 ZINC001459978262 1067513609 /nfs/dbraw/zinc/51/36/09/1067513609.db2.gz CVTZFERDLZWLPB-HYBUGGRVSA-N 1 1 459.428 4.978 20 0 JJADMO Cn1c2ccccc2nc1[C@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC001459982507 1067515268 /nfs/dbraw/zinc/51/52/68/1067515268.db2.gz FMAQZVLKRNAHSS-WMZHIEFXSA-N 1 1 455.480 4.711 20 0 JJADMO CC(C)c1nnc(NC(=O)C[NH2+][C@H](CC(F)(F)F)c2ccc(Br)cc2)s1 ZINC001459995368 1067519578 /nfs/dbraw/zinc/51/95/78/1067519578.db2.gz UAUHBWZTVYHIKB-GFCCVEGCSA-N 1 1 451.312 4.646 20 0 JJADMO Cc1ccc(CN(Cc2ccco2)C[C@@H](O)C[N@H+](C)Cc2ccccc2)c(Br)c1 ZINC001460005315 1067523659 /nfs/dbraw/zinc/52/36/59/1067523659.db2.gz CYGSBINTGAZGRA-QFIPXVFZSA-N 1 1 457.412 4.846 20 0 JJADMO COc1cc2ccccc2cc1-c1nnc(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C)o1 ZINC001460014688 1067527768 /nfs/dbraw/zinc/52/77/68/1067527768.db2.gz QNKQJKUSWPUJIV-FQEVSTJZSA-N 1 1 454.571 4.927 20 0 JJADMO COc1cc2ccccc2cc1-c1nnc(C[NH2+][C@H](CNC(=O)OC(C)(C)C)C(C)(C)C)o1 ZINC001460014692 1067527784 /nfs/dbraw/zinc/52/77/84/1067527784.db2.gz QNKQJKUSWPUJIV-HXUWFJFHSA-N 1 1 454.571 4.927 20 0 JJADMO O=C1[C@H]([NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CCN1c1ccc(Cl)c(F)c1 ZINC001460014040 1067527816 /nfs/dbraw/zinc/52/78/16/1067527816.db2.gz ALKXSXDDMLSLNJ-SJORKVTESA-N 1 1 451.247 4.580 20 0 JJADMO O=C1[C@H]([NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CCN1c1ccc(Cl)c(F)c1 ZINC001460014034 1067527851 /nfs/dbraw/zinc/52/78/51/1067527851.db2.gz ALKXSXDDMLSLNJ-IAGOWNOFSA-N 1 1 451.247 4.580 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccc(F)c(F)c3)no2)C[C@H]1c1ccccc1 ZINC001460016716 1067529255 /nfs/dbraw/zinc/52/92/55/1067529255.db2.gz LPNJCEBDEQBIQH-FXAWDEMLSA-N 1 1 456.493 4.508 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccc(F)c(F)c3)no2)C[C@H]1c1ccccc1 ZINC001460016716 1067529261 /nfs/dbraw/zinc/52/92/61/1067529261.db2.gz LPNJCEBDEQBIQH-FXAWDEMLSA-N 1 1 456.493 4.508 20 0 JJADMO C[C@@H](NC(=O)C[NH+]1CCC(N2CCc3cc(F)ccc32)CC1)c1ccc(Cl)cc1Cl ZINC001460019235 1067530465 /nfs/dbraw/zinc/53/04/65/1067530465.db2.gz RAJKIQINDWCRJP-OAHLLOKOSA-N 1 1 450.385 4.837 20 0 JJADMO CC(C)(C)n1cc(C[N@H+](CCOc2cccc(Br)c2)C[C@@H]2CCCS2)nn1 ZINC001460038527 1067536050 /nfs/dbraw/zinc/53/60/50/1067536050.db2.gz MOSDBZKBCPQQFA-IBGZPJMESA-N 1 1 453.450 4.572 20 0 JJADMO CC(C)(C)n1cc(C[N@@H+](CCOc2cccc(Br)c2)C[C@@H]2CCCS2)nn1 ZINC001460038527 1067536056 /nfs/dbraw/zinc/53/60/56/1067536056.db2.gz MOSDBZKBCPQQFA-IBGZPJMESA-N 1 1 453.450 4.572 20 0 JJADMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC001460042112 1067536963 /nfs/dbraw/zinc/53/69/63/1067536963.db2.gz RDYPNKHCKMNTLC-GOUWZUTHSA-N 1 1 453.652 4.964 20 0 JJADMO C[C@@H]([NH2+]CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)c1ccc(Br)cn1 ZINC001460042382 1067537193 /nfs/dbraw/zinc/53/71/93/1067537193.db2.gz ZBTRHPKKXCHAGF-VGOFRKELSA-N 1 1 450.380 4.669 20 0 JJADMO COc1c(C)c[nH+]c(CN2CCC(c3nc(-c4ccccc4Br)no3)CC2)c1C ZINC001460052339 1067539856 /nfs/dbraw/zinc/53/98/56/1067539856.db2.gz CTZBECSQGPBYCK-UHFFFAOYSA-N 1 1 457.372 4.899 20 0 JJADMO C[C@H]1CSCC[N@H+](CC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)C1 ZINC001460058019 1067541522 /nfs/dbraw/zinc/54/15/22/1067541522.db2.gz KSHVVQVJMQFLDT-OAHLLOKOSA-N 1 1 451.514 4.581 20 0 JJADMO C[C@H]1CSCC[N@@H+](CC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)C1 ZINC001460058019 1067541527 /nfs/dbraw/zinc/54/15/27/1067541527.db2.gz KSHVVQVJMQFLDT-OAHLLOKOSA-N 1 1 451.514 4.581 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC001460067281 1067544687 /nfs/dbraw/zinc/54/46/87/1067544687.db2.gz DJAHFDKKTCCROK-FYQRJBHISA-N 1 1 450.623 4.751 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC001460067284 1067544798 /nfs/dbraw/zinc/54/47/98/1067544798.db2.gz DJAHFDKKTCCROK-UUNMLIRYSA-N 1 1 450.623 4.751 20 0 JJADMO CC(C)(C)OC(=O)C1(CC[N@@H+](CCn2ccnc2)Cc2ccc(Br)o2)CCC1 ZINC001460087084 1067550098 /nfs/dbraw/zinc/55/00/98/1067550098.db2.gz XNHKHELIFUWYKL-UHFFFAOYSA-N 1 1 452.393 4.643 20 0 JJADMO CC[C@H](OC1CCCCC1)C(=O)Nc1cc(Br)ccc1N1CC[N@@H+](C)C[C@H]1C ZINC001460094329 1067553089 /nfs/dbraw/zinc/55/30/89/1067553089.db2.gz QMHIIOOPIPGDPX-IERDGZPVSA-N 1 1 452.437 4.656 20 0 JJADMO COc1ccc(/C(C)=C\C(=O)Nc2cc(Br)ccc2N2CC[N@@H+](C)C[C@H]2C)cc1 ZINC001460095754 1067553483 /nfs/dbraw/zinc/55/34/83/1067553483.db2.gz XQMIWSQPXOYQEB-VZVUQDNOSA-N 1 1 458.400 4.640 20 0 JJADMO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)c2ccc(-c3ccccc3)s2)CC1 ZINC001460097329 1067554273 /nfs/dbraw/zinc/55/42/73/1067554273.db2.gz MFNXOYKOFJLHST-UHFFFAOYSA-N 1 1 457.397 4.577 20 0 JJADMO O=C1[C@H]([N@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)CCN1c1ccc(Cl)c(F)c1 ZINC001460137615 1067562880 /nfs/dbraw/zinc/56/28/80/1067562880.db2.gz HISSHWMGDKCUMY-MGPUTAFESA-N 1 1 451.767 4.912 20 0 JJADMO CCOc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001460155824 1067566575 /nfs/dbraw/zinc/56/65/75/1067566575.db2.gz BRMILBCSABPLIP-ACRUOGEOSA-N 1 1 459.631 4.771 20 0 JJADMO OC[C@@]1(c2ccccc2)CC[N@@H+](C[C@H](O)c2ccc(-c3ccc(Br)cc3)cc2)C1 ZINC001460154619 1067566587 /nfs/dbraw/zinc/56/65/87/1067566587.db2.gz XDTQFGVPFDMJQV-LOSJGSFVSA-N 1 1 452.392 4.786 20 0 JJADMO CCOC(=O)[C@H](CCc1ccccc1)[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460160029 1067567253 /nfs/dbraw/zinc/56/72/53/1067567253.db2.gz UJEPXXQBQNGEBZ-SGNDLWITSA-N 1 1 458.643 4.910 20 0 JJADMO Cc1cccc(C)c1-n1nnnc1CN1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC001460168187 1067568214 /nfs/dbraw/zinc/56/82/14/1067568214.db2.gz GIQAOEJZDQGYSL-QHCPKHFHSA-N 1 1 453.034 4.665 20 0 JJADMO Cc1cccc(C)c1-n1nnnc1CN1CC[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC001460168187 1067568224 /nfs/dbraw/zinc/56/82/24/1067568224.db2.gz GIQAOEJZDQGYSL-QHCPKHFHSA-N 1 1 453.034 4.665 20 0 JJADMO C[C@H]([NH2+]CC(=O)Nc1ccc2ccccc2c1)c1ccc(Br)cc1OCCCO ZINC001460169544 1067569314 /nfs/dbraw/zinc/56/93/14/1067569314.db2.gz AKVCUSMERFTIPR-INIZCTEOSA-N 1 1 457.368 4.653 20 0 JJADMO Cc1ccc(C2=NN(C(=O)C[NH2+][C@H](CCO)c3ccc(Cl)cc3)[C@H](c3ccco3)C2)cc1 ZINC001460172544 1067570066 /nfs/dbraw/zinc/57/00/66/1067570066.db2.gz ONVFYKJRAQCJGU-GGAORHGYSA-N 1 1 451.954 4.632 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@H+]2CCCC[C@@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460173333 1067570189 /nfs/dbraw/zinc/57/01/89/1067570189.db2.gz HUQRGPABYKADLS-UWHLTILDSA-N 1 1 451.652 4.791 20 0 JJADMO C[C@@H]([NH2+][C@@H](CO)c1ccc(Br)c(F)c1)C(=O)Nc1cc(Cl)ccc1Cl ZINC001460175593 1067571013 /nfs/dbraw/zinc/57/10/13/1067571013.db2.gz VLMWJKJOAMYOOG-ABKXIKBNSA-N 1 1 450.135 4.545 20 0 JJADMO CCOC(=O)c1sc(-c2ccc(Cl)cc2Cl)cc1NC(=O)C[N@H+](C)[C@H](CC)CO ZINC001460176442 1067571373 /nfs/dbraw/zinc/57/13/73/1067571373.db2.gz GHVVDEGSPBZYQM-CYBMUJFWSA-N 1 1 459.395 4.540 20 0 JJADMO CCOC(=O)c1sc(-c2ccc(Cl)cc2Cl)cc1NC(=O)C[N@@H+](C)[C@H](CC)CO ZINC001460176442 1067571384 /nfs/dbraw/zinc/57/13/84/1067571384.db2.gz GHVVDEGSPBZYQM-CYBMUJFWSA-N 1 1 459.395 4.540 20 0 JJADMO O=C(C[N@H+]1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1)Nc1ccc2ccccc2c1 ZINC001460179401 1067572347 /nfs/dbraw/zinc/57/23/47/1067572347.db2.gz NENGCMQIWWSWJR-YKSBVNFPSA-N 1 1 453.380 4.986 20 0 JJADMO O=C(C[N@@H+]1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1)Nc1ccc2ccccc2c1 ZINC001460179401 1067572356 /nfs/dbraw/zinc/57/23/56/1067572356.db2.gz NENGCMQIWWSWJR-YKSBVNFPSA-N 1 1 453.380 4.986 20 0 JJADMO C[C@H]([NH2+]Cc1ncc(-c2cccc(Br)c2)o1)c1ccc(N2CCCNC2=O)cc1 ZINC001460180754 1067572649 /nfs/dbraw/zinc/57/26/49/1067572649.db2.gz KGRHFNUCEQFTCN-HNNXBMFYSA-N 1 1 455.356 4.875 20 0 JJADMO O=C(CC[N@@H+]1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1)Nc1cc(F)cc(F)c1 ZINC001460181177 1067572679 /nfs/dbraw/zinc/57/26/79/1067572679.db2.gz RLIHWGZFGTWXOZ-QVKFZJNVSA-N 1 1 453.327 4.502 20 0 JJADMO CC[C@H](c1ccccc1OC)[N@H+](C)CC(=O)Nc1ccc(I)cc1C ZINC001460181450 1067573108 /nfs/dbraw/zinc/57/31/08/1067573108.db2.gz HMIABXJQAOZTIF-GOSISDBHSA-N 1 1 452.336 4.630 20 0 JJADMO CC[C@H](c1ccccc1OC)[N@@H+](C)CC(=O)Nc1ccc(I)cc1C ZINC001460181450 1067573113 /nfs/dbraw/zinc/57/31/13/1067573113.db2.gz HMIABXJQAOZTIF-GOSISDBHSA-N 1 1 452.336 4.630 20 0 JJADMO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@H+]1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001460183257 1067573335 /nfs/dbraw/zinc/57/33/35/1067573335.db2.gz DQGQNAJGQPZVGW-VELGLUOQSA-N 1 1 467.448 4.698 20 0 JJADMO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@H+]1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001460183263 1067573400 /nfs/dbraw/zinc/57/34/00/1067573400.db2.gz DQGQNAJGQPZVGW-WQZMEWCLSA-N 1 1 467.448 4.698 20 0 JJADMO O[C@H](C[N@H+]1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1)c1ccc(C(F)(F)F)cc1 ZINC001460182536 1067573460 /nfs/dbraw/zinc/57/34/60/1067573460.db2.gz AKEUWEQQYOEQLJ-NSISKUIASA-N 1 1 458.318 4.947 20 0 JJADMO C[C@@H]1CC[N@@H+](CC(=O)N(Cc2ccccc2)c2ccccc2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001460206506 1067578934 /nfs/dbraw/zinc/57/89/34/1067578934.db2.gz SHNBTDXPWIJORQ-GGAORHGYSA-N 1 1 451.611 4.703 20 0 JJADMO Cn1c(CC[N@H+]2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)nc2ccccc21 ZINC001460207538 1067579392 /nfs/dbraw/zinc/57/93/92/1067579392.db2.gz KUEMHLXQQJIDNA-RBBKRZOGSA-N 1 1 452.574 4.638 20 0 JJADMO CC(=O)c1cccc(NC(=O)[C@H](C)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)c1 ZINC001460210094 1067579993 /nfs/dbraw/zinc/57/99/93/1067579993.db2.gz DOCZNIOZMMPFDH-FNLHRSDSSA-N 1 1 459.565 4.613 20 0 JJADMO CC(=O)c1cccc(NC(=O)[C@H](C)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)c1 ZINC001460210094 1067580001 /nfs/dbraw/zinc/58/00/01/1067580001.db2.gz DOCZNIOZMMPFDH-FNLHRSDSSA-N 1 1 459.565 4.613 20 0 JJADMO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1ccccc1C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001460230687 1067585069 /nfs/dbraw/zinc/58/50/69/1067585069.db2.gz XETPESCFGBJHLA-VOUHSTLWSA-N 1 1 458.668 4.559 20 0 JJADMO CC(C)CNC(=O)c1cccc(C[N@H+]2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001460234707 1067586675 /nfs/dbraw/zinc/58/66/75/1067586675.db2.gz PLIKSDNIJRVUSC-BJKOFHAPSA-N 1 1 469.601 4.704 20 0 JJADMO CC(C)CNC(=O)c1cccc(C[N@@H+]2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001460234707 1067586682 /nfs/dbraw/zinc/58/66/82/1067586682.db2.gz PLIKSDNIJRVUSC-BJKOFHAPSA-N 1 1 469.601 4.704 20 0 JJADMO CCC1(CC)CN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)[N@@H+](C)C2CC2)CCS1 ZINC001546115019 1067589491 /nfs/dbraw/zinc/58/94/91/1067589491.db2.gz OUCIADUBZPGENV-SFHVURJKSA-N 1 1 473.687 4.557 20 0 JJADMO CCC1(CC)CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2cc[nH+]c2C)CCS1 ZINC001546115111 1067592557 /nfs/dbraw/zinc/59/25/57/1067592557.db2.gz SJSBZEOMMLEVPY-UHFFFAOYSA-N 1 1 492.491 4.743 20 0 JJADMO C[C@@H]1C[C@H](C)[N@@H+](CCc2cc(Cl)c3c(c2)OCCCO3)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001460269621 1067594180 /nfs/dbraw/zinc/59/41/80/1067594180.db2.gz GJBMPBXBYPYULM-AOIWGVFYSA-N 1 1 453.023 4.915 20 0 JJADMO CN(C)c1[nH+]ccc2cc(NC(=O)C3(c4ccc(I)cc4)CC3)ccc21 ZINC001460270616 1067594549 /nfs/dbraw/zinc/59/45/49/1067594549.db2.gz BQSGGJGZORVSFL-UHFFFAOYSA-N 1 1 457.315 4.576 20 0 JJADMO CCc1cc2c(C[N@H+]3CC4(C[C@@H]3C)CCN(C(=O)OC(C)(C)C)CC4)cc(=O)oc2cc1O ZINC001460273015 1067594990 /nfs/dbraw/zinc/59/49/90/1067594990.db2.gz FDAJYVGOYWYDPY-KRWDZBQOSA-N 1 1 456.583 4.673 20 0 JJADMO CCc1cc2c(C[N@H+]3CC4(C[C@H]3C)CCN(C(=O)OC(C)(C)C)CC4)cc(=O)oc2cc1O ZINC001460273017 1067595010 /nfs/dbraw/zinc/59/50/10/1067595010.db2.gz FDAJYVGOYWYDPY-QGZVFWFLSA-N 1 1 456.583 4.673 20 0 JJADMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(=O)oc3cc(C)c(C)cc23)C[C@H]1c1ccc(Br)cc1 ZINC001460273256 1067595232 /nfs/dbraw/zinc/59/52/32/1067595232.db2.gz BYKJVDZNINUYCE-LEWJYISDSA-N 1 1 470.363 4.561 20 0 JJADMO Cn1cc([C@@H]2C[N@H+](Cc3cc4cc(Cl)ccc4nc3Cl)C[C@H]2NC(=O)OC(C)(C)C)cn1 ZINC001460275676 1067595628 /nfs/dbraw/zinc/59/56/28/1067595628.db2.gz OMFQFMBRZHJXLY-AZUAARDMSA-N 1 1 476.408 4.768 20 0 JJADMO Cn1cc([C@@H]2C[N@@H+](Cc3cc4cc(Cl)ccc4nc3Cl)C[C@H]2NC(=O)OC(C)(C)C)cn1 ZINC001460275676 1067595632 /nfs/dbraw/zinc/59/56/32/1067595632.db2.gz OMFQFMBRZHJXLY-AZUAARDMSA-N 1 1 476.408 4.768 20 0 JJADMO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C ZINC001460274289 1067595669 /nfs/dbraw/zinc/59/56/69/1067595669.db2.gz XCNRRTJEVQRXPP-RCLSDMTESA-N 1 1 457.615 4.823 20 0 JJADMO Cc1ccc(NC(=O)C[N@H+](Cc2ccccn2)C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC001460305232 1067603307 /nfs/dbraw/zinc/60/33/07/1067603307.db2.gz PBEGJHOTAZLXMT-UHFFFAOYSA-N 1 1 452.599 4.539 20 0 JJADMO Cc1ccc(NC(=O)C[N@@H+](Cc2ccccn2)C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC001460305232 1067603311 /nfs/dbraw/zinc/60/33/11/1067603311.db2.gz PBEGJHOTAZLXMT-UHFFFAOYSA-N 1 1 452.599 4.539 20 0 JJADMO COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[NH+]1CCC(CCc2ccc(F)cc2F)CC1 ZINC001460315305 1067605793 /nfs/dbraw/zinc/60/57/93/1067605793.db2.gz ZHIPUCGJGIPVMY-INIZCTEOSA-N 1 1 459.537 4.604 20 0 JJADMO CC(C)(C)OC(=O)N1CC([N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C2CC2)C1 ZINC001460315644 1067605878 /nfs/dbraw/zinc/60/58/78/1067605878.db2.gz TWMDUQWWDLMCHT-UHFFFAOYSA-N 1 1 451.567 4.891 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCOc2ccc(F)cc2Cl)C1 ZINC001460317087 1067606441 /nfs/dbraw/zinc/60/64/41/1067606441.db2.gz JIPJYCDCNULWTC-LMNJBCLMSA-N 1 1 456.986 4.785 20 0 JJADMO CO[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1)c1ccc(Cl)cc1 ZINC001460319887 1067607372 /nfs/dbraw/zinc/60/73/72/1067607372.db2.gz ZCKIHPIXFVLNNW-LNRXMEIDSA-N 1 1 453.023 4.954 20 0 JJADMO CC(C)c1nnc(CC2CC[NH+](CCC(=O)N[C@H](c3cccs3)c3ccccc3)CC2)[nH]1 ZINC001460331914 1067609977 /nfs/dbraw/zinc/60/99/77/1067609977.db2.gz HMMFKWDHNUPVFD-DEOSSOPVSA-N 1 1 451.640 4.540 20 0 JJADMO CC(C)c1nc(CC2CC[NH+](CCC(=O)N[C@H](c3cccs3)c3ccccc3)CC2)n[nH]1 ZINC001460331914 1067609982 /nfs/dbraw/zinc/60/99/82/1067609982.db2.gz HMMFKWDHNUPVFD-DEOSSOPVSA-N 1 1 451.640 4.540 20 0 JJADMO CCCC[N@@H+](CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)[C@@H]1CCc2ncsc2C1 ZINC001460339850 1067611523 /nfs/dbraw/zinc/61/15/23/1067611523.db2.gz QLRIERPELRGFDW-OAQYLSRUSA-N 1 1 451.640 4.852 20 0 JJADMO C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)NCc3ccco3)c2)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001460340460 1067611534 /nfs/dbraw/zinc/61/15/34/1067611534.db2.gz TWHVFCUCLUAEJP-AUSIDOKSSA-N 1 1 455.599 4.725 20 0 JJADMO C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)NCc3ccco3)c2)[C@H]1CCNC(=O)OC(C)(C)C ZINC001460340494 1067611959 /nfs/dbraw/zinc/61/19/59/1067611959.db2.gz TWHVFCUCLUAEJP-XXBNENTESA-N 1 1 455.599 4.725 20 0 JJADMO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC001460343309 1067612770 /nfs/dbraw/zinc/61/27/70/1067612770.db2.gz ZGMSFZKEMJREQR-WMZHIEFXSA-N 1 1 458.647 4.549 20 0 JJADMO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC001460343301 1067612849 /nfs/dbraw/zinc/61/28/49/1067612849.db2.gz ZGMSFZKEMJREQR-AUSIDOKSSA-N 1 1 458.647 4.549 20 0 JJADMO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460357749 1067616905 /nfs/dbraw/zinc/61/69/05/1067616905.db2.gz BGDMKIUMVQJILC-FXABVQRQSA-N 1 1 455.599 4.579 20 0 JJADMO CCOC(=O)C1=C(C[NH2+][C@H](c2ccccc2F)C(C)C)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001460366385 1067619452 /nfs/dbraw/zinc/61/94/52/1067619452.db2.gz WFQFEMZPQNBQOU-FCHUYYIVSA-N 1 1 459.949 4.637 20 0 JJADMO COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCC[C@]2(C)Cc2ccc(OC(F)(F)F)cc2)c1C ZINC001460376245 1067621330 /nfs/dbraw/zinc/62/13/30/1067621330.db2.gz VHPFYGAZIWDTOB-JOCHJYFZSA-N 1 1 452.473 4.597 20 0 JJADMO COc1ccccc1-c1nnc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)o1 ZINC001460400635 1067626854 /nfs/dbraw/zinc/62/68/54/1067626854.db2.gz ADKSZTKGKQEUNF-TZIWHRDSSA-N 1 1 464.566 4.628 20 0 JJADMO CC(=O)Nc1ccc(S[C@H](C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001460401094 1067626959 /nfs/dbraw/zinc/62/69/59/1067626959.db2.gz SNTAERRZLRTKRX-AIRYKSJBSA-N 1 1 451.636 4.828 20 0 JJADMO CC(C)(C)OC(=O)N1CCC([C@@H]2CCC[N@@H+](Cc3nc(CCc4ccccc4)no3)C2)CC1 ZINC001460406025 1067628290 /nfs/dbraw/zinc/62/82/90/1067628290.db2.gz BBCDHOWXUYSKBS-JOCHJYFZSA-N 1 1 454.615 4.714 20 0 JJADMO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001460409508 1067629061 /nfs/dbraw/zinc/62/90/61/1067629061.db2.gz KOUJVBWMTHCXQC-IBGZPJMESA-N 1 1 450.023 4.946 20 0 JJADMO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c1C ZINC001460411257 1067629836 /nfs/dbraw/zinc/62/98/36/1067629836.db2.gz QRAKKLSQHKXAGQ-RXVVDRJESA-N 1 1 459.631 4.764 20 0 JJADMO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c1C ZINC001460411257 1067629838 /nfs/dbraw/zinc/62/98/38/1067629838.db2.gz QRAKKLSQHKXAGQ-RXVVDRJESA-N 1 1 459.631 4.764 20 0 JJADMO C[C@]12CC[N@@H+](CCC(=O)Nc3ccc(Cl)cc3F)C[C@H]1C2(Br)Br ZINC001460419972 1067631761 /nfs/dbraw/zinc/63/17/61/1067631761.db2.gz VAQAQJQMKDABRD-HIFRSBDPSA-N 1 1 468.592 4.636 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H](CC[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)C1 ZINC001460421288 1067632171 /nfs/dbraw/zinc/63/21/71/1067632171.db2.gz WKMCHPMYJYZNDJ-RKVPGOIHSA-N 1 1 480.285 4.852 20 0 JJADMO Ic1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CCCCO4)C3)co2)cc1 ZINC001460452088 1067637042 /nfs/dbraw/zinc/63/70/42/1067637042.db2.gz KRTFPEDMQDZFDD-APWZRJJASA-N 1 1 452.336 4.727 20 0 JJADMO O=C(C[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC001460451589 1067637104 /nfs/dbraw/zinc/63/71/04/1067637104.db2.gz IBFFTAKXBKCKSR-XMSQKQJNSA-N 1 1 464.871 4.740 20 0 JJADMO C[C@@H]1C[N@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC001460459899 1067638024 /nfs/dbraw/zinc/63/80/24/1067638024.db2.gz QBRKNDRLBQDQJY-WWEVIYMKSA-N 1 1 454.636 4.522 20 0 JJADMO C[C@@H]1C[N@@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC001460459899 1067638030 /nfs/dbraw/zinc/63/80/30/1067638030.db2.gz QBRKNDRLBQDQJY-WWEVIYMKSA-N 1 1 454.636 4.522 20 0 JJADMO COC(=O)c1cnc([C@H]2CCC[N@@H+](CCCC3CCN(C(=O)OC(C)(C)C)CC3)C2)s1 ZINC001460525776 1067650152 /nfs/dbraw/zinc/65/01/52/1067650152.db2.gz LNJKGEAQQMKXNA-SFHVURJKSA-N 1 1 451.633 4.536 20 0 JJADMO CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001460538456 1067653324 /nfs/dbraw/zinc/65/33/24/1067653324.db2.gz NIXSDIVLIZXMDG-CRAIPNDOSA-N 1 1 452.348 4.615 20 0 JJADMO CN(Cc1cccc(OCc2ccc(F)cc2F)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001460555524 1067655246 /nfs/dbraw/zinc/65/52/46/1067655246.db2.gz HVGNMKKGFLSSFN-MHZLTWQESA-N 1 1 452.545 4.613 20 0 JJADMO C[N@H+](Cc1cccc(OCc2ccc(F)cc2F)c1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001460555524 1067655251 /nfs/dbraw/zinc/65/52/51/1067655251.db2.gz HVGNMKKGFLSSFN-MHZLTWQESA-N 1 1 452.545 4.613 20 0 JJADMO C[N@@H+](Cc1cccc(OCc2ccc(F)cc2F)c1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001460555524 1067655255 /nfs/dbraw/zinc/65/52/55/1067655255.db2.gz HVGNMKKGFLSSFN-MHZLTWQESA-N 1 1 452.545 4.613 20 0 JJADMO COc1ccc([C@@H]2CC[N@H+]([C@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)C2)cc1F ZINC001460570466 1067658243 /nfs/dbraw/zinc/65/82/43/1067658243.db2.gz OUBUQMNZOGOGHV-NQIIRXRSSA-N 1 1 450.476 4.834 20 0 JJADMO CC1(C)[C@H](c2cccc(F)c2)CC[N@H+]1CC(=O)Nc1cccc(I)c1 ZINC001460602771 1067668158 /nfs/dbraw/zinc/66/81/58/1067668158.db2.gz JKTLQGHPDAXTQJ-SFHVURJKSA-N 1 1 452.311 4.637 20 0 JJADMO COc1ccc(C([NH2+][C@@H](C)C(=O)NCCc2c[nH]c3ccccc23)c2ccc(OC)cc2)cc1 ZINC001460611467 1067671354 /nfs/dbraw/zinc/67/13/54/1067671354.db2.gz SGSJWLQFZHGFOY-IBGZPJMESA-N 1 1 457.574 4.612 20 0 JJADMO CCC[N@H+](CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2)Cc1ccc(OC)cc1 ZINC001460615249 1067673598 /nfs/dbraw/zinc/67/35/98/1067673598.db2.gz GIRFHCAITMMYFL-KRWDZBQOSA-N 1 1 458.624 4.909 20 0 JJADMO CCC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2)Cc1ccc(OC)cc1 ZINC001460615249 1067673601 /nfs/dbraw/zinc/67/36/01/1067673601.db2.gz GIRFHCAITMMYFL-KRWDZBQOSA-N 1 1 458.624 4.909 20 0 JJADMO Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC001460618764 1067674509 /nfs/dbraw/zinc/67/45/09/1067674509.db2.gz NJCGQSWPQUZYNR-MRXNPFEDSA-N 1 1 459.421 4.975 20 0 JJADMO C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001460633869 1067679616 /nfs/dbraw/zinc/67/96/16/1067679616.db2.gz NRDWTWDHLIWFIM-UKRRQHHQSA-N 1 1 458.386 4.869 20 0 JJADMO C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001460633869 1067679622 /nfs/dbraw/zinc/67/96/22/1067679622.db2.gz NRDWTWDHLIWFIM-UKRRQHHQSA-N 1 1 458.386 4.869 20 0 JJADMO Cc1nc(-c2ccc(C)cc2NC(=O)C[N@@H+]2CCC[C@]2(C)Cc2ccc(F)c(Cl)c2)n[nH]1 ZINC001460636555 1067680435 /nfs/dbraw/zinc/68/04/35/1067680435.db2.gz JTZNXRDSRJWLOC-XMMPIXPASA-N 1 1 455.965 4.917 20 0 JJADMO Cc1nc(-c2ccc(C)cc2NC(=O)C[N@H+]2CCC[C@]2(C)Cc2ccc(F)c(Cl)c2)n[nH]1 ZINC001460636555 1067680444 /nfs/dbraw/zinc/68/04/44/1067680444.db2.gz JTZNXRDSRJWLOC-XMMPIXPASA-N 1 1 455.965 4.917 20 0 JJADMO C[C@@]1(Cc2ccc(Cl)c(F)c2)CCC[N@H+]1CCC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC001460638918 1067681607 /nfs/dbraw/zinc/68/16/07/1067681607.db2.gz PUIJVDZPHISHHJ-VWLOTQADSA-N 1 1 457.977 4.797 20 0 JJADMO Cc1cc(CNC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)cc(N2CCCC2)[nH+]1 ZINC001460641548 1067682804 /nfs/dbraw/zinc/68/28/04/1067682804.db2.gz GZZJLAAFUHSYGX-UHFFFAOYSA-N 1 1 456.999 4.538 20 0 JJADMO Cc1cc(CNC(=O)c2scc(Br)c2Br)cc(N2CCCC2)[nH+]1 ZINC001460645141 1067684777 /nfs/dbraw/zinc/68/47/77/1067684777.db2.gz RIJUCTYCILLQHF-UHFFFAOYSA-N 1 1 459.207 4.507 20 0 JJADMO Cc1cc(CNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc(N2CCCC2)[nH+]1 ZINC001460647155 1067685289 /nfs/dbraw/zinc/68/52/89/1067685289.db2.gz VKEICHSZFJAACZ-UHFFFAOYSA-N 1 1 454.983 4.887 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001460649851 1067686758 /nfs/dbraw/zinc/68/67/58/1067686758.db2.gz HNHIPDJGUPBREN-BHDDXSALSA-N 1 1 480.527 4.740 20 0 JJADMO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2cncc(C)c2)cc1 ZINC001460657880 1067690754 /nfs/dbraw/zinc/69/07/54/1067690754.db2.gz AXDLDDQFFKVROH-XMMPIXPASA-N 1 1 458.562 4.817 20 0 JJADMO O=C(NC1CC[NH+](Cc2ccc(Br)c3cccnc23)CC1)OCc1ccccc1 ZINC001460659812 1067691343 /nfs/dbraw/zinc/69/13/43/1067691343.db2.gz UJPAYXSVYASHDD-UHFFFAOYSA-N 1 1 454.368 4.888 20 0 JJADMO CCOC(=O)c1c(NC(=O)C[NH2+][C@H]2CCCn3nccc32)sc(Cl)c1-c1ccccc1 ZINC001460682252 1067700166 /nfs/dbraw/zinc/70/01/66/1067700166.db2.gz BZDVHAKUFWPFKB-HNNXBMFYSA-N 1 1 458.971 4.505 20 0 JJADMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001460682773 1067700596 /nfs/dbraw/zinc/70/05/96/1067700596.db2.gz ZLRXNQCKMJFRLS-TZIWHRDSSA-N 1 1 457.412 4.734 20 0 JJADMO COc1ccc([C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]2Cc3ccccc3N3CCC[C@@H]3C2)cc1 ZINC001460693015 1067703373 /nfs/dbraw/zinc/70/33/73/1067703373.db2.gz RUAYQIPCGIKQBH-XZOQPEGZSA-N 1 1 451.611 4.788 20 0 JJADMO Cc1ccc(Oc2ccccc2NC(=O)C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1 ZINC001460698260 1067703632 /nfs/dbraw/zinc/70/36/32/1067703632.db2.gz UGHOKFDYVWHDSC-ZJSXRUAMSA-N 1 1 458.480 4.850 20 0 JJADMO O=C(C[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F)N1c2ccccc2CCc2ccccc21 ZINC001460699408 1067704245 /nfs/dbraw/zinc/70/42/45/1067704245.db2.gz YZEFGMARPLMJLL-OFVILXPXSA-N 1 1 454.492 4.574 20 0 JJADMO COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C[C@@H](O)c2cc3ccccc3o2)c1 ZINC001460701533 1067704287 /nfs/dbraw/zinc/70/42/87/1067704287.db2.gz JEJJVBORWUFZDO-FCHUYYIVSA-N 1 1 452.551 4.769 20 0 JJADMO COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C[C@@H](O)c2cc3ccccc3o2)c1 ZINC001460701533 1067704299 /nfs/dbraw/zinc/70/42/99/1067704299.db2.gz JEJJVBORWUFZDO-FCHUYYIVSA-N 1 1 452.551 4.769 20 0 JJADMO CN(C(=O)C[NH2+]C1(c2cc(Cl)cc(Br)c2)CC1)c1nc2ccccc2s1 ZINC001460704704 1067705305 /nfs/dbraw/zinc/70/53/05/1067705305.db2.gz VASPWFCGHVLDOP-UHFFFAOYSA-N 1 1 450.789 4.954 20 0 JJADMO CC(C)(C)OC(=O)N1CC(O)(C[N@@H+](Cc2ccccc2)Cc2cccc(OC(C)(C)C)c2)C1 ZINC001460710685 1067706423 /nfs/dbraw/zinc/70/64/23/1067706423.db2.gz BAUJBYNDYXLGCW-UHFFFAOYSA-N 1 1 454.611 4.848 20 0 JJADMO Cc1ccc2sc(C[N@H+](Cc3ccccc3)CC3(O)CN(C(=O)OC(C)(C)C)C3)nc2c1 ZINC001460713411 1067706870 /nfs/dbraw/zinc/70/68/70/1067706870.db2.gz OQWHHGQVUIWHLK-UHFFFAOYSA-N 1 1 453.608 4.589 20 0 JJADMO Cc1ccc2sc(C[N@@H+](Cc3ccccc3)CC3(O)CN(C(=O)OC(C)(C)C)C3)nc2c1 ZINC001460713411 1067706875 /nfs/dbraw/zinc/70/68/75/1067706875.db2.gz OQWHHGQVUIWHLK-UHFFFAOYSA-N 1 1 453.608 4.589 20 0 JJADMO COC(=O)c1scc(C)c1NC(=O)[C@@H](C)[N@@H+](C[C@H](OC)c1ccc(Cl)cc1)C(C)C ZINC001460713940 1067707167 /nfs/dbraw/zinc/70/71/67/1067707167.db2.gz USFFNROARTWBHV-QAPCUYQASA-N 1 1 453.004 4.922 20 0 JJADMO CC1(C)[C@H](c2ccc(F)c(F)c2)CC[N@H+]1CC(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC001460716443 1067708349 /nfs/dbraw/zinc/70/83/49/1067708349.db2.gz GALSHBILOOJWPM-SFHVURJKSA-N 1 1 456.455 4.790 20 0 JJADMO C[N@@H+](CCCN1C(=O)CNC1=O)Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1Cl ZINC001460719859 1067708945 /nfs/dbraw/zinc/70/89/45/1067708945.db2.gz RCFGTPAREYNMDF-UHFFFAOYSA-N 1 1 456.757 4.813 20 0 JJADMO CN(CC(=O)NCC1(c2ccc(F)cc2)CCCC1)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001460722607 1067709403 /nfs/dbraw/zinc/70/94/03/1067709403.db2.gz XWRNFDPUAZBKLK-SANMLTNESA-N 1 1 451.630 4.740 20 0 JJADMO CCOC(=O)c1ccc2c(c1)nc(CN1CC[NH+]([C@@H](CC)c3ccc(F)cc3)CC1)n2CC ZINC001460731431 1067711579 /nfs/dbraw/zinc/71/15/79/1067711579.db2.gz NVOSPPCQTASDNA-QHCPKHFHSA-N 1 1 452.574 4.641 20 0 JJADMO CN(C[C@@H](O)C[N@@H+](C)Cc1ccccc1)[C@H](c1ccccc1)c1ccccc1Br ZINC001460732397 1067711676 /nfs/dbraw/zinc/71/16/76/1067711676.db2.gz RYRNJHUNXVBZGH-WIOPSUGQSA-N 1 1 453.424 4.963 20 0 JJADMO O=C(C[NH2+][C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1)Nc1ccc(-c2ccccc2)cc1 ZINC001460736086 1067712163 /nfs/dbraw/zinc/71/21/63/1067712163.db2.gz JBHJDCLDDFCIQJ-QUPDYRNUSA-N 1 1 451.364 4.694 20 0 JJADMO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(CC(=O)Nc2ccc(N3CCCCCC3)cc2)CC1 ZINC001460735194 1067712238 /nfs/dbraw/zinc/71/22/38/1067712238.db2.gz XOJBVFXHBPHCDI-AREMUKBSSA-N 1 1 452.618 4.914 20 0 JJADMO O[C@@H](COc1ccc(Cl)cc1Br)C[N@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC001460749995 1067715527 /nfs/dbraw/zinc/71/55/27/1067715527.db2.gz VWTUFJUMLNPFIL-QGZVFWFLSA-N 1 1 452.776 4.660 20 0 JJADMO COc1ccc2nc(C[N@@H+]3CCC[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C4CCCC4)C3)[nH]c2n1 ZINC001460750785 1067715590 /nfs/dbraw/zinc/71/55/90/1067715590.db2.gz VASYKSNRVXQPKO-FXAWDEMLSA-N 1 1 457.619 4.652 20 0 JJADMO COc1ccc2nc(C[N@H+]3CCC[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C4CCCC4)C3)[nH]c2n1 ZINC001460750785 1067715597 /nfs/dbraw/zinc/71/55/97/1067715597.db2.gz VASYKSNRVXQPKO-FXAWDEMLSA-N 1 1 457.619 4.652 20 0 JJADMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(Oc4ccccc4)cc3)C[C@]2(C)C1 ZINC001460750513 1067715747 /nfs/dbraw/zinc/71/57/47/1067715747.db2.gz JSDRLGDMGOHHQT-CCLHPLFOSA-N 1 1 465.594 4.996 20 0 JJADMO CC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001460752421 1067716577 /nfs/dbraw/zinc/71/65/77/1067716577.db2.gz DKWMODVKYLIEPV-VTHDOGFWSA-N 1 1 451.652 4.886 20 0 JJADMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ncoc1CCC(F)(F)F ZINC001460761223 1067718380 /nfs/dbraw/zinc/71/83/80/1067718380.db2.gz IENWQSLOGNCJLG-VQTJNVASSA-N 1 1 461.459 4.707 20 0 JJADMO CCCOc1ccc(OCC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1 ZINC001460768018 1067720162 /nfs/dbraw/zinc/72/01/62/1067720162.db2.gz XUTKDPPGKUPAIP-RRPNLBNLSA-N 1 1 462.565 4.778 20 0 JJADMO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001460822562 1067729521 /nfs/dbraw/zinc/72/95/21/1067729521.db2.gz VJHBNAGPAHNQKK-OPAMFIHVSA-N 1 1 455.521 4.898 20 0 JJADMO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001460822562 1067729527 /nfs/dbraw/zinc/72/95/27/1067729527.db2.gz VJHBNAGPAHNQKK-OPAMFIHVSA-N 1 1 455.521 4.898 20 0 JJADMO CC(C)(C)OC(=O)NC1CCC2(CC1)C[N@H+](CCOc1ccccc1C(F)(F)F)CCO2 ZINC001460844108 1067733605 /nfs/dbraw/zinc/73/36/05/1067733605.db2.gz PWEYCNKYRFIFJO-UHFFFAOYSA-N 1 1 458.521 4.623 20 0 JJADMO CC(C)(C)OC(=O)NC1CCC2(CC1)C[N@@H+](CCOc1ccccc1C(F)(F)F)CCO2 ZINC001460844108 1067733610 /nfs/dbraw/zinc/73/36/10/1067733610.db2.gz PWEYCNKYRFIFJO-UHFFFAOYSA-N 1 1 458.521 4.623 20 0 JJADMO CC(C)(C)OC(=O)NCC1([C@@H]2CCCC[N@H+]2C[C@@H]2CCN(C(=O)c3ccccc3)C2)CCC1 ZINC001460846438 1067734342 /nfs/dbraw/zinc/73/43/42/1067734342.db2.gz DUWPGIBPUDPAGR-GMAHTHKFSA-N 1 1 455.643 4.698 20 0 JJADMO CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[N@@H+](Cc1ccccc1)Cc1cncc(C)c1 ZINC001460861969 1067736789 /nfs/dbraw/zinc/73/67/89/1067736789.db2.gz FCPUICUBKKJTPM-RPWUZVMVSA-N 1 1 467.610 4.581 20 0 JJADMO CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC001460869423 1067738782 /nfs/dbraw/zinc/73/87/82/1067738782.db2.gz HZGXBFLQRZUIAR-LJQANCHMSA-N 1 1 456.406 4.895 20 0 JJADMO CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC001460869423 1067738788 /nfs/dbraw/zinc/73/87/88/1067738788.db2.gz HZGXBFLQRZUIAR-LJQANCHMSA-N 1 1 456.406 4.895 20 0 JJADMO CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@@H+](CC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC001460871513 1067739713 /nfs/dbraw/zinc/73/97/13/1067739713.db2.gz PEXXLDXAUULOTN-KSFYIVLOSA-N 1 1 458.521 4.596 20 0 JJADMO O[C@@H](COc1cccc(C(F)(F)F)c1)C[N@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001460874670 1067740054 /nfs/dbraw/zinc/74/00/54/1067740054.db2.gz RPLKNGNHLQCGBA-RTBURBONSA-N 1 1 458.318 4.915 20 0 JJADMO Cc1ccc(Oc2ccccc2NC(=O)C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC001460881393 1067741724 /nfs/dbraw/zinc/74/17/24/1067741724.db2.gz RGIMKASJPADYFN-WOJBJXKFSA-N 1 1 453.583 4.818 20 0 JJADMO Cc1ccc(Oc2ccccc2NC(=O)C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC001460881393 1067741732 /nfs/dbraw/zinc/74/17/32/1067741732.db2.gz RGIMKASJPADYFN-WOJBJXKFSA-N 1 1 453.583 4.818 20 0 JJADMO COc1ccccc1NC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)C1 ZINC001460910706 1067746585 /nfs/dbraw/zinc/74/65/85/1067746585.db2.gz ZIAAKITXJRJITF-DCLXLUIPSA-N 1 1 459.590 4.765 20 0 JJADMO Cn1ccnc1COc1ccc(C[N@H+]2CCCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001460952266 1067752786 /nfs/dbraw/zinc/75/27/86/1067752786.db2.gz UIMVQDSBVTUMPP-SANMLTNESA-N 1 1 454.615 4.755 20 0 JJADMO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C1 ZINC001460974673 1067755231 /nfs/dbraw/zinc/75/52/31/1067755231.db2.gz OPBXPJAAIGMWJO-GOSISDBHSA-N 1 1 455.603 4.643 20 0 JJADMO O=C(C[NH+]1CCC(OCc2ccc(Br)cc2)CC1)N[C@H](c1ccccc1)C1CC1 ZINC001460976291 1067755565 /nfs/dbraw/zinc/75/55/65/1067755565.db2.gz ROEAWCSCPQEAJB-XMMPIXPASA-N 1 1 457.412 4.698 20 0 JJADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cccc2cccc(Br)c21 ZINC001460979299 1067756006 /nfs/dbraw/zinc/75/60/06/1067756006.db2.gz FQSUFCGWIRPWAB-NFBKMPQASA-N 1 1 467.407 4.869 20 0 JJADMO C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@H+](C)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001460978948 1067756010 /nfs/dbraw/zinc/75/60/10/1067756010.db2.gz YOADOSYAFPTWTI-CVGURMSBSA-N 1 1 453.370 4.902 20 0 JJADMO C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@@H+](C)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001460978948 1067756013 /nfs/dbraw/zinc/75/60/13/1067756013.db2.gz YOADOSYAFPTWTI-CVGURMSBSA-N 1 1 453.370 4.902 20 0 JJADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001460982534 1067756423 /nfs/dbraw/zinc/75/64/23/1067756423.db2.gz OEUYGSPOOSWRRI-ZEQKJWHPSA-N 1 1 472.589 4.598 20 0 JJADMO CCN(C(=O)OC(C)(C)C)C1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC001460988144 1067758093 /nfs/dbraw/zinc/75/80/93/1067758093.db2.gz USXZBJOKMBNUQI-PMACEKPBSA-N 1 1 457.659 4.853 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[N@@H+](CCCCOc1ccccc1C(F)(F)F)CCO2 ZINC001460991853 1067758925 /nfs/dbraw/zinc/75/89/25/1067758925.db2.gz OCSHIPKQLCBYTJ-QFIPXVFZSA-N 1 1 458.521 4.576 20 0 JJADMO CC[NH+](CC)Cc1ccccc1CNCc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1 ZINC001461003996 1067760915 /nfs/dbraw/zinc/76/09/15/1067760915.db2.gz DCEKJFGZADCRSO-QHCPKHFHSA-N 1 1 455.643 4.969 20 0 JJADMO Brc1cc(CNCC2([NH+]3CCSCC3)CCCC2)c(Br)s1 ZINC001461037424 1067767292 /nfs/dbraw/zinc/76/72/92/1067767292.db2.gz ASPRFSAYGSTULL-UHFFFAOYSA-N 1 1 454.297 4.724 20 0 JJADMO CCN(CC)[C@H](C[NH2+]Cc1c(F)ccc(I)c1F)c1ccsc1 ZINC001461042624 1067768227 /nfs/dbraw/zinc/76/82/27/1067768227.db2.gz ZTDBMVNKTLZWAO-MRXNPFEDSA-N 1 1 450.336 4.804 20 0 JJADMO CCN(CC)[C@@H](C[NH2+]Cc1c(F)ccc(I)c1F)c1ccsc1 ZINC001461042617 1067768309 /nfs/dbraw/zinc/76/83/09/1067768309.db2.gz ZTDBMVNKTLZWAO-INIZCTEOSA-N 1 1 450.336 4.804 20 0 JJADMO COc1ccc(OCc2nc(CNC3CC[NH+](Cc4ccc(F)c(F)c4)CC3)cs2)cc1 ZINC001461068519 1067775461 /nfs/dbraw/zinc/77/54/61/1067775461.db2.gz ZKJISGUQNRPBJF-UHFFFAOYSA-N 1 1 459.562 4.763 20 0 JJADMO CC(C)N(C(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001461116395 1067784380 /nfs/dbraw/zinc/78/43/80/1067784380.db2.gz RWXQSNFLPJFTJR-FQEVSTJZSA-N 1 1 458.484 4.881 20 0 JJADMO CCOc1cc2c(cc1C[NH2+]Cc1cn(-c3ccccc3Br)nc1C)O[C@@H](C)C2 ZINC001461141017 1067788247 /nfs/dbraw/zinc/78/82/47/1067788247.db2.gz UMQJGWHUYXLTOO-HNNXBMFYSA-N 1 1 456.384 4.955 20 0 JJADMO Fc1c(Br)ccc(CNCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1F ZINC001461160733 1067791427 /nfs/dbraw/zinc/79/14/27/1067791427.db2.gz NZSKKJZAKIUVJE-UHFFFAOYSA-N 1 1 458.778 4.683 20 0 JJADMO Cc1c(Br)cccc1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001461198936 1067797831 /nfs/dbraw/zinc/79/78/31/1067797831.db2.gz RHPWVYOYNACLBR-WOJBJXKFSA-N 1 1 470.436 4.746 20 0 JJADMO COCCOc1cccc(C[NH2+][C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)c1 ZINC001461216778 1067801763 /nfs/dbraw/zinc/80/17/63/1067801763.db2.gz LGCBMOJXFAJUHU-AREMUKBSSA-N 1 1 453.604 4.611 20 0 JJADMO CCCOc1c(Br)cc(C[NH2+]Cc2nc3cc(F)ccc3n2C)cc1OCC ZINC001461234041 1067806114 /nfs/dbraw/zinc/80/61/14/1067806114.db2.gz WPKROAJGAIGYSS-UHFFFAOYSA-N 1 1 450.352 4.952 20 0 JJADMO C[N@H+]1CCC[C@H](CNCc2c(Br)cncc2Br)[C@H]1c1cccs1 ZINC001461235165 1067806599 /nfs/dbraw/zinc/80/65/99/1067806599.db2.gz YOTLQMOUGUEUIB-PXAZEXFGSA-N 1 1 459.251 4.841 20 0 JJADMO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2cc3ccc(F)cc3[nH]c2=O)c2ccc(F)cc2)c1 ZINC001461254510 1067810797 /nfs/dbraw/zinc/81/07/97/1067810797.db2.gz HIGOYHSQHBFHDP-HSZRJFAPSA-N 1 1 454.498 4.501 20 0 JJADMO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)s1 ZINC001461256601 1067811337 /nfs/dbraw/zinc/81/13/37/1067811337.db2.gz VFHXNRLAOVRSLA-JOCHJYFZSA-N 1 1 457.617 4.986 20 0 JJADMO COC[C@H](C)Oc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461258054 1067812582 /nfs/dbraw/zinc/81/25/82/1067812582.db2.gz RTWXKEUIVCYMHP-BVZFJXPGSA-N 1 1 457.567 4.522 20 0 JJADMO O=C1[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2Br)CCN1CCCc1ccccc1 ZINC001461289636 1067819494 /nfs/dbraw/zinc/81/94/94/1067819494.db2.gz XPHJTGYKTTVALT-LJQANCHMSA-N 1 1 455.318 4.791 20 0 JJADMO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC001461307013 1067824459 /nfs/dbraw/zinc/82/44/59/1067824459.db2.gz HJSNQINRAHZXMH-PBWTXFEYSA-N 1 1 450.549 4.676 20 0 JJADMO COC(=O)[C@@]1(NC(=O)[C@H](CC(C)C)c2ccc(Cl)cc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001461308354 1067825163 /nfs/dbraw/zinc/82/51/63/1067825163.db2.gz XFKJWNIJKSKHET-ZEQKJWHPSA-N 1 1 457.014 4.794 20 0 JJADMO COc1cc(Br)c(C[NH2+]Cc2ccc(C)cc2OC[C@H]2CCCO2)cc1OC ZINC001461325216 1067828558 /nfs/dbraw/zinc/82/85/58/1067828558.db2.gz RICFGBJEPWOLNA-GOSISDBHSA-N 1 1 450.373 4.622 20 0 JJADMO COc1cc(Br)c(C[NH2+]Cc2ccc(C)cc2OC[C@@H]2CCCO2)cc1OC ZINC001461325217 1067828579 /nfs/dbraw/zinc/82/85/79/1067828579.db2.gz RICFGBJEPWOLNA-SFHVURJKSA-N 1 1 450.373 4.622 20 0 JJADMO CC(C)[C@H]([NH2+]Cc1ccc(-c2cccc(Br)c2)s1)c1nc(-c2nc[nH]n2)no1 ZINC001461367910 1067839839 /nfs/dbraw/zinc/83/98/39/1067839839.db2.gz AMNQBSLWZPBVBV-INIZCTEOSA-N 1 1 459.373 4.833 20 0 JJADMO CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC001546125096 1067883241 /nfs/dbraw/zinc/88/32/41/1067883241.db2.gz VCNNESXRZBYBBK-NVQXNPDNSA-N 1 1 455.687 4.593 20 0 JJADMO COc1ccc(-c2n[nH]cc2C[NH2+]Cc2cc(Cl)ccc2I)cc1 ZINC001461635312 1067906481 /nfs/dbraw/zinc/90/64/81/1067906481.db2.gz XLLGTXZEMFCIML-UHFFFAOYSA-N 1 1 453.711 4.633 20 0 JJADMO CCC1(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)CCCC1 ZINC001546126384 1067921232 /nfs/dbraw/zinc/92/12/32/1067921232.db2.gz VVSSDOZNUQEKIW-RTWAWAEBSA-N 1 1 473.637 4.685 20 0 JJADMO CCc1onc(-c2ccc(Br)cc2)c1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001461714373 1067923718 /nfs/dbraw/zinc/92/37/18/1067923718.db2.gz CRCUDGJPZNODKE-IBGZPJMESA-N 1 1 454.368 4.671 20 0 JJADMO CCc1onc(-c2ccc(Br)cc2)c1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001461714373 1067923725 /nfs/dbraw/zinc/92/37/25/1067923725.db2.gz CRCUDGJPZNODKE-IBGZPJMESA-N 1 1 454.368 4.671 20 0 JJADMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc(Br)cc2cccnc21 ZINC001461717111 1067923961 /nfs/dbraw/zinc/92/39/61/1067923961.db2.gz SPZBLCAAMCBMIB-JOCHJYFZSA-N 1 1 452.396 4.980 20 0 JJADMO CC(=O)N(c1nc(C[NH2+]CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)cs1)c1ccc(F)cc1 ZINC001461755377 1067931047 /nfs/dbraw/zinc/93/10/47/1067931047.db2.gz RERFFMDEIHQUOM-SJLPKXTDSA-N 1 1 476.618 4.950 20 0 JJADMO COc1cc(Br)c(CNc2[nH]c3cc(Br)c(F)cc3[nH+]2)c(OC)c1 ZINC001461809445 1067940408 /nfs/dbraw/zinc/94/04/08/1067940408.db2.gz CUVJBHDEJANKKG-UHFFFAOYSA-N 1 1 459.113 4.856 20 0 JJADMO COc1ccc(OC)c(C[NH2+][C@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)c1 ZINC001461809560 1067940555 /nfs/dbraw/zinc/94/05/55/1067940555.db2.gz GRZLHMRSBJGQJP-HFZDXXHNSA-N 1 1 454.567 4.697 20 0 JJADMO CC(C)(C)OC(=O)N1CCN(c2ccc(C[N@H+]3CC[C@H](CSc4ccccc4)C3)o2)CC1 ZINC001461845373 1067945826 /nfs/dbraw/zinc/94/58/26/1067945826.db2.gz PWWBVKIYWWVTKR-FQEVSTJZSA-N 1 1 457.640 4.951 20 0 JJADMO C[C@H]1C[N@H+](Cc2ccc(NC(=O)OC(C)(C)C)cc2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001461848490 1067946285 /nfs/dbraw/zinc/94/62/85/1067946285.db2.gz CGWYMOSZLXQIPP-SFHVURJKSA-N 1 1 458.002 4.962 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccc(NC(=O)OC(C)(C)C)cc2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001461848490 1067946288 /nfs/dbraw/zinc/94/62/88/1067946288.db2.gz CGWYMOSZLXQIPP-SFHVURJKSA-N 1 1 458.002 4.962 20 0 JJADMO COCC[N@@H+](CCCOc1ccc(F)cc1)CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001461849351 1067946658 /nfs/dbraw/zinc/94/66/58/1067946658.db2.gz LEFJXPRQNOSFNX-XDNSSPFJSA-N 1 1 450.595 4.721 20 0 JJADMO COC(=O)c1cc(CN2CC[NH+]([C@@H](c3ccccc3)c3ccccc3Cl)CC2)n(C)c1C ZINC001461855879 1067948122 /nfs/dbraw/zinc/94/81/22/1067948122.db2.gz VSCDLJWUPMQFEX-VWLOTQADSA-N 1 1 451.998 4.681 20 0 JJADMO Cc1cc(C[N@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)c(Br)cc1F ZINC001461871777 1067951692 /nfs/dbraw/zinc/95/16/92/1067951692.db2.gz JTJUQJPNWHAEON-CQSZACIVSA-N 1 1 450.270 4.787 20 0 JJADMO Cc1cc(C[N@@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)c(Br)cc1F ZINC001461871777 1067951698 /nfs/dbraw/zinc/95/16/98/1067951698.db2.gz JTJUQJPNWHAEON-CQSZACIVSA-N 1 1 450.270 4.787 20 0 JJADMO CCOC(=O)c1nn(-c2ccccc2)cc1C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC001461874048 1067952184 /nfs/dbraw/zinc/95/21/84/1067952184.db2.gz LFDMVPDKMLBDEB-YADHBBJMSA-N 1 1 453.608 4.979 20 0 JJADMO CC1(C)C[N@@H+](Cc2ccccc2)C(C)(C)CN1C(=O)c1ccc2c(Br)cnn2c1 ZINC001461874443 1067952551 /nfs/dbraw/zinc/95/25/51/1067952551.db2.gz VVKIPKNWFYNRDN-UHFFFAOYSA-N 1 1 455.400 4.612 20 0 JJADMO C[N@@H+](Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)o1)Cc1cccc(C(F)(F)F)c1 ZINC001461891126 1067955835 /nfs/dbraw/zinc/95/58/35/1067955835.db2.gz BKSBKPRBWDEXJJ-UHFFFAOYSA-N 1 1 453.505 4.988 20 0 JJADMO COc1ccnc(N2CC[NH+](Cc3ccc(Oc4cccc(Br)c4)cc3)CC2)c1 ZINC001461893324 1067955926 /nfs/dbraw/zinc/95/59/26/1067955926.db2.gz SHDKPGKLZNEEKN-UHFFFAOYSA-N 1 1 454.368 4.967 20 0 JJADMO Cc1ccccc1-c1ccccc1C[N@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC001461897990 1067957217 /nfs/dbraw/zinc/95/72/17/1067957217.db2.gz FCFXUIQFYXCEMK-QFIPXVFZSA-N 1 1 451.611 4.515 20 0 JJADMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)C(C)C)cc1 ZINC001461900597 1067957944 /nfs/dbraw/zinc/95/79/44/1067957944.db2.gz VVSTYFPRWHBONJ-IBGZPJMESA-N 1 1 458.505 4.834 20 0 JJADMO COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC001461902895 1067958434 /nfs/dbraw/zinc/95/84/34/1067958434.db2.gz XZJCCMCLTCAVRS-VBKZILBWSA-N 1 1 451.350 4.537 20 0 JJADMO COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC001461902895 1067958444 /nfs/dbraw/zinc/95/84/44/1067958444.db2.gz XZJCCMCLTCAVRS-VBKZILBWSA-N 1 1 451.350 4.537 20 0 JJADMO O=C(NC[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1)c1ccccc1 ZINC001461915714 1067960801 /nfs/dbraw/zinc/96/08/01/1067960801.db2.gz KDOYOSAYQXATAF-FQEVSTJZSA-N 1 1 456.512 4.592 20 0 JJADMO COC(=O)[C@H](C)Oc1ccccc1C[N@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001461929611 1067962949 /nfs/dbraw/zinc/96/29/49/1067962949.db2.gz XJSGCKGZICPSBR-VQTJNVASSA-N 1 1 455.599 4.902 20 0 JJADMO CN(C[C@H]1CCC[N@H+]1Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C(=O)OC(C)(C)C ZINC001461931838 1067963224 /nfs/dbraw/zinc/96/32/24/1067963224.db2.gz BYSLWCCYNIAKNH-HXUWFJFHSA-N 1 1 452.521 4.782 20 0 JJADMO CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(CN3CCC[N@@H+](CC4CCCCC4)CC3)o2)C1 ZINC001461937823 1067964534 /nfs/dbraw/zinc/96/45/34/1067964534.db2.gz QPWOIDRLQHRDPZ-HSZRJFAPSA-N 1 1 459.675 4.926 20 0 JJADMO CC[C@@H]1CCC[C@H](C[NH+]2CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)C1 ZINC001461971358 1067971956 /nfs/dbraw/zinc/97/19/56/1067971956.db2.gz PARSUTVXSQMQJX-CVEARBPZSA-N 1 1 452.970 4.882 20 0 JJADMO CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001461996306 1067977165 /nfs/dbraw/zinc/97/71/65/1067977165.db2.gz QZRUZOKHUYNMBH-CUWPLCDZSA-N 1 1 455.599 4.778 20 0 JJADMO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(OC)cc2Br)cc1Br ZINC001462010346 1067980046 /nfs/dbraw/zinc/98/00/46/1067980046.db2.gz DZIZHRKYQMXPQG-NSHDSACASA-N 1 1 457.162 4.858 20 0 JJADMO CO[C@@H](C[NH+]1CCN(S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)CC1)C1CCCCC1 ZINC001462018908 1067982316 /nfs/dbraw/zinc/98/23/16/1067982316.db2.gz POCLFMBWADPXLO-QHCPKHFHSA-N 1 1 450.689 4.503 20 0 JJADMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001462037825 1067986060 /nfs/dbraw/zinc/98/60/60/1067986060.db2.gz UUPCBRSWXSQTKN-GOSISDBHSA-N 1 1 458.624 4.576 20 0 JJADMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001462037825 1067986066 /nfs/dbraw/zinc/98/60/66/1067986066.db2.gz UUPCBRSWXSQTKN-GOSISDBHSA-N 1 1 458.624 4.576 20 0 JJADMO CC[C@H]1CN(Cc2c(Br)cncc2Br)CC[N@H+]1Cc1ccccc1 ZINC001462059416 1067993241 /nfs/dbraw/zinc/99/32/41/1067993241.db2.gz WNLDMTOJHHYPHL-INIZCTEOSA-N 1 1 453.222 4.703 20 0 JJADMO CC(C)(C)OC(=O)NCC[NH+]1CCC(NCc2nc(-c3cc4ccccc4o3)cs2)CC1 ZINC001462105617 1068004417 /nfs/dbraw/zinc/00/44/17/1068004417.db2.gz RHQIEQAIRGJORT-UHFFFAOYSA-N 1 1 456.612 4.635 20 0 JJADMO CSc1ncc(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)n1-c1ccc(F)cc1 ZINC001462109918 1068006010 /nfs/dbraw/zinc/00/60/10/1068006010.db2.gz CPOWEWBQJPBVMQ-NRFANRHFSA-N 1 1 452.599 4.908 20 0 JJADMO COC(=O)c1ccc(-c2ccc(C[NH2+][C@@H]3CCN(c4ccccc4C(F)(F)F)C3=O)o2)cc1 ZINC001462110567 1068006243 /nfs/dbraw/zinc/00/62/43/1068006243.db2.gz HYNFIJFZMLBWBW-LJQANCHMSA-N 1 1 458.436 4.647 20 0 JJADMO COC(=O)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001462122871 1068009997 /nfs/dbraw/zinc/00/99/97/1068009997.db2.gz BLSWKWWBKMOTPO-FUHWJXTLSA-N 1 1 458.521 4.716 20 0 JJADMO COC(=O)C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001462122871 1068010008 /nfs/dbraw/zinc/01/00/08/1068010008.db2.gz BLSWKWWBKMOTPO-FUHWJXTLSA-N 1 1 458.521 4.716 20 0 JJADMO CCC1(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CCC1 ZINC001546129551 1068012053 /nfs/dbraw/zinc/01/20/53/1068012053.db2.gz KHNTWWMTMBGGJR-UHFFFAOYSA-N 1 1 477.495 4.937 20 0 JJADMO CC(C)(C)OC(=O)NCc1cccc(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)c1 ZINC001462149784 1068015731 /nfs/dbraw/zinc/01/57/31/1068015731.db2.gz QVZSEDUWCLLMBR-SANMLTNESA-N 1 1 459.631 4.934 20 0 JJADMO Brc1cccc(OCC[N@H+](Cc2cccc3c2OCO3)C[C@H]2CCCS2)c1 ZINC001462169982 1068020965 /nfs/dbraw/zinc/02/09/65/1068020965.db2.gz LBAGSHAOBQNXLE-LJQANCHMSA-N 1 1 450.398 4.954 20 0 JJADMO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3ccc(Cl)cc3Oc3cc(Cl)ccc3Cl)C2)N1 ZINC001462174384 1068021892 /nfs/dbraw/zinc/02/18/92/1068021892.db2.gz GNHJBYBEVDHBNN-FQEVSTJZSA-N 1 1 454.741 4.613 20 0 JJADMO O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3ccc(Cl)cc3Oc3cc(Cl)ccc3Cl)C2)N1 ZINC001462174384 1068021907 /nfs/dbraw/zinc/02/19/07/1068021907.db2.gz GNHJBYBEVDHBNN-FQEVSTJZSA-N 1 1 454.741 4.613 20 0 JJADMO COc1ccc(C[N@H+]2CCC[C@H]2COC(=O)NC2CCCCC2)c(OCc2cccnc2)c1 ZINC001462216717 1068030737 /nfs/dbraw/zinc/03/07/37/1068030737.db2.gz IPZORIFUXWMFHE-QHCPKHFHSA-N 1 1 453.583 4.693 20 0 JJADMO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC001462224311 1068032540 /nfs/dbraw/zinc/03/25/40/1068032540.db2.gz GEJOSEFAJARTGU-OAQYLSRUSA-N 1 1 456.384 4.995 20 0 JJADMO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+](C[C@@]3(C)CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001462227427 1068032834 /nfs/dbraw/zinc/03/28/34/1068032834.db2.gz DFFZTHDWYSXEFV-XMMPIXPASA-N 1 1 451.652 4.747 20 0 JJADMO COc1cc(C[N@H+]2CCCC[C@H]2CCNC(=O)OC(C)(C)C)cc(OC)c1OCC(F)F ZINC001462228618 1068033457 /nfs/dbraw/zinc/03/34/57/1068033457.db2.gz RNNHCMIAKLMHME-KRWDZBQOSA-N 1 1 458.546 4.617 20 0 JJADMO C[C@@H]1C[C@H](NCc2c(Br)cncc2Br)C[N@@H+](Cc2ccccc2)C1 ZINC001462255830 1068038982 /nfs/dbraw/zinc/03/89/82/1068038982.db2.gz AMQKFOHJFLZNBV-ZBFHGGJFSA-N 1 1 453.222 4.607 20 0 JJADMO C[C@@H]1C[C@H]([NH2+]Cc2c(Br)cncc2Br)CN(Cc2ccccc2)C1 ZINC001462255830 1068038997 /nfs/dbraw/zinc/03/89/97/1068038997.db2.gz AMQKFOHJFLZNBV-ZBFHGGJFSA-N 1 1 453.222 4.607 20 0 JJADMO Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC001462256139 1068039110 /nfs/dbraw/zinc/03/91/10/1068039110.db2.gz CQQRQJUJMFFFKN-OAQYLSRUSA-N 1 1 453.583 4.505 20 0 JJADMO Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC001462256139 1068039125 /nfs/dbraw/zinc/03/91/25/1068039125.db2.gz CQQRQJUJMFFFKN-OAQYLSRUSA-N 1 1 453.583 4.505 20 0 JJADMO O[C@@H](c1ccc(Br)cc1)[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC001462293087 1068045426 /nfs/dbraw/zinc/04/54/26/1068045426.db2.gz HODBWIKSXYUPTB-OFNKIYASSA-N 1 1 458.375 4.779 20 0 JJADMO C[C@@H]1CC[N@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001462314947 1068049814 /nfs/dbraw/zinc/04/98/14/1068049814.db2.gz PVFXWTCHSGZORQ-HUUCEWRRSA-N 1 1 454.402 4.557 20 0 JJADMO C[C@@H]1CC[N@@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001462314947 1068049826 /nfs/dbraw/zinc/04/98/26/1068049826.db2.gz PVFXWTCHSGZORQ-HUUCEWRRSA-N 1 1 454.402 4.557 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2OCC(F)F)C[C@H]1c1ccccc1F ZINC001462337042 1068053623 /nfs/dbraw/zinc/05/36/23/1068053623.db2.gz ALWMZXUKSWRGQF-AZUAARDMSA-N 1 1 450.501 4.962 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C[C@H]1c1cccc(F)c1 ZINC001462339868 1068054641 /nfs/dbraw/zinc/05/46/41/1068054641.db2.gz TXDZWNPRSHQIMO-BJKOFHAPSA-N 1 1 468.548 4.702 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C[C@H]1c1cccc(F)c1 ZINC001462339868 1068054655 /nfs/dbraw/zinc/05/46/55/1068054655.db2.gz TXDZWNPRSHQIMO-BJKOFHAPSA-N 1 1 468.548 4.702 20 0 JJADMO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[N@@H+]1CC2(CCOCC2)[C@@H]1C(C)C ZINC001462348494 1068056659 /nfs/dbraw/zinc/05/66/59/1068056659.db2.gz HMBKGQMNWCAGHJ-FQEVSTJZSA-N 1 1 452.382 4.603 20 0 JJADMO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[N@H+]1CC2(CCOCC2)[C@@H]1C(C)C ZINC001462348494 1068056671 /nfs/dbraw/zinc/05/66/71/1068056671.db2.gz HMBKGQMNWCAGHJ-FQEVSTJZSA-N 1 1 452.382 4.603 20 0 JJADMO CCOc1c(Cl)cccc1C[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1 ZINC001462361342 1068059694 /nfs/dbraw/zinc/05/96/94/1068059694.db2.gz NKEWUSGUSNLBGK-ZWKOTPCHSA-N 1 1 452.776 4.890 20 0 JJADMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2Cl)C[C@H]1c1ccc(Br)cc1 ZINC001462360917 1068059782 /nfs/dbraw/zinc/05/97/82/1068059782.db2.gz LFWLUDOMZVADFL-DLBZAZTESA-N 1 1 468.775 4.508 20 0 JJADMO CCOC(=O)/C=C\c1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1 ZINC001462398225 1068065820 /nfs/dbraw/zinc/06/58/20/1068065820.db2.gz RGEXCOIFLDXXRU-QHODPUCZSA-N 1 1 455.558 4.512 20 0 JJADMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(Cc2cc(Br)cc(Br)c2)C1 ZINC001462413877 1068070021 /nfs/dbraw/zinc/07/00/21/1068070021.db2.gz MIMJSAZFBBHTOQ-HXUWFJFHSA-N 1 1 452.234 4.960 20 0 JJADMO C[C@H]1C[N@@H+](Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]1C(=O)OC(C)(C)C ZINC001462442329 1068075214 /nfs/dbraw/zinc/07/52/14/1068075214.db2.gz QROFWFJITDBHMD-LPHOPBHVSA-N 1 1 450.645 4.841 20 0 JJADMO Cc1cc(OCCCC(=O)N2CC[C@@]3(C2)C[N@@H+](Cc2ccccc2)C[C@@H](C)O3)ccc1Cl ZINC001462443771 1068075858 /nfs/dbraw/zinc/07/58/58/1068075858.db2.gz OHDUAMWPEYIKIA-RLWLMLJZSA-N 1 1 457.014 4.699 20 0 JJADMO Cc1cc(OCCCC(=O)N2CC[C@@]3(C2)C[N@H+](Cc2ccccc2)C[C@@H](C)O3)ccc1Cl ZINC001462443771 1068075875 /nfs/dbraw/zinc/07/58/75/1068075875.db2.gz OHDUAMWPEYIKIA-RLWLMLJZSA-N 1 1 457.014 4.699 20 0 JJADMO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(Cc3cccc(F)c3OCC(F)(F)F)C2)ccn1 ZINC001462460715 1068079348 /nfs/dbraw/zinc/07/93/48/1068079348.db2.gz ZHAFOBITZZTWHB-HXUWFJFHSA-N 1 1 455.496 4.655 20 0 JJADMO COc1ccc([C@H]2CC[N@H+](Cc3cc(Br)cc(Br)c3N)C2)cc1F ZINC001462480658 1068082672 /nfs/dbraw/zinc/08/26/72/1068082672.db2.gz OEWSPGALPWQQJW-LBPRGKRZSA-N 1 1 458.169 4.931 20 0 JJADMO COc1ccc([C@H]2CC[N@@H+](Cc3cc(Br)cc(Br)c3N)C2)cc1F ZINC001462480658 1068082685 /nfs/dbraw/zinc/08/26/85/1068082685.db2.gz OEWSPGALPWQQJW-LBPRGKRZSA-N 1 1 458.169 4.931 20 0 JJADMO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC001462484070 1068082835 /nfs/dbraw/zinc/08/28/35/1068082835.db2.gz IBLJLEBFQZQEKY-OAQYLSRUSA-N 1 1 459.432 4.735 20 0 JJADMO CN(C)c1nc(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)c(Cl)n1-c1ccc(Br)cc1 ZINC001462521929 1068090963 /nfs/dbraw/zinc/09/09/63/1068090963.db2.gz KEZGXWVEIPKEEB-ZIAGYGMSSA-N 1 1 455.853 4.539 20 0 JJADMO CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)c1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001462536115 1068093405 /nfs/dbraw/zinc/09/34/05/1068093405.db2.gz BALTWVJQULFJEQ-DEOSSOPVSA-N 1 1 451.611 4.838 20 0 JJADMO CC(C)(C)OC(=O)[C@@H]1C[N@H+](Cc2cc(Br)cc(Br)c2N)C[C@H]1C1CC1 ZINC001462575290 1068101872 /nfs/dbraw/zinc/10/18/72/1068101872.db2.gz ZMYKTVRTTMXTAH-LSDHHAIUSA-N 1 1 474.237 4.594 20 0 JJADMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2N)C[C@H]1C1CC1 ZINC001462575290 1068101884 /nfs/dbraw/zinc/10/18/84/1068101884.db2.gz ZMYKTVRTTMXTAH-LSDHHAIUSA-N 1 1 474.237 4.594 20 0 JJADMO COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C[N@@H+](C[C@@H](C)c1ccc(C(F)(F)F)cc1)C2 ZINC001462575834 1068102320 /nfs/dbraw/zinc/10/23/20/1068102320.db2.gz FBAMCQVABKQJIA-JYISGYRJSA-N 1 1 470.532 4.587 20 0 JJADMO CC(=O)N(c1nc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)cs1)c1cccc(Cl)c1 ZINC001462589836 1068105744 /nfs/dbraw/zinc/10/57/44/1068105744.db2.gz KRXMKODNUJVTFQ-SUMGPEMVSA-N 1 1 450.004 4.543 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H](C2CC[NH+](Cc3cn(Cc4ccccc4)nn3)CC2)CC1 ZINC001462620642 1068113625 /nfs/dbraw/zinc/11/36/25/1068113625.db2.gz HVSQGODSNJOCOA-JOCHJYFZSA-N 1 1 453.631 4.576 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2ccccc2COC2CCOCC2)CCCCC1 ZINC001462623833 1068115628 /nfs/dbraw/zinc/11/56/28/1068115628.db2.gz JPRMITPGCMXPLT-UHFFFAOYSA-N 1 1 450.623 4.947 20 0 JJADMO C[NH+](C)[C@@H]1CC[C@H]2CN(Cc3c(Br)cc(F)c(F)c3N3CCCCC3)C[C@@H]2C1 ZINC001462655431 1068125774 /nfs/dbraw/zinc/12/57/74/1068125774.db2.gz QZZAKZDROCYQFS-YESZJQIVSA-N 1 1 456.419 4.880 20 0 JJADMO CCc1ccc([C@H](CNS(=O)(=O)c2cc(Br)c(Cl)cc2C)[NH+](C)C)cc1 ZINC001462706203 1068137711 /nfs/dbraw/zinc/13/77/11/1068137711.db2.gz HMJHOGVZWQRCHO-SFHVURJKSA-N 1 1 459.837 4.555 20 0 JJADMO COC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC001462716335 1068140579 /nfs/dbraw/zinc/14/05/79/1068140579.db2.gz XBSKOGBXZAMEGP-RUZDIDTESA-N 1 1 456.542 4.579 20 0 JJADMO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001462721167 1068142448 /nfs/dbraw/zinc/14/24/48/1068142448.db2.gz AAVJXKFHLKZCFZ-MSNJVRRCSA-N 1 1 497.705 4.973 20 0 JJADMO Cc1ccc(C2(C(=O)N[C@@H]3CCC[N@H+]4CCSC[C@@H]34)CCCCC2)c(Br)c1 ZINC001462749606 1068154406 /nfs/dbraw/zinc/15/44/06/1068154406.db2.gz QFWDDFFPAKRQJD-UXHICEINSA-N 1 1 451.474 4.655 20 0 JJADMO CC(C)(C)OC(=O)Nc1cccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c1 ZINC001462763108 1068158908 /nfs/dbraw/zinc/15/89/08/1068158908.db2.gz LDROYHPLAZPDLB-WOJBJXKFSA-N 1 1 463.500 4.826 20 0 JJADMO CC(C)(C)OC(=O)Nc1cccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c1 ZINC001462763108 1068158922 /nfs/dbraw/zinc/15/89/22/1068158922.db2.gz LDROYHPLAZPDLB-WOJBJXKFSA-N 1 1 463.500 4.826 20 0 JJADMO CC(C)Cc1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC001462763591 1068159619 /nfs/dbraw/zinc/15/96/19/1068159619.db2.gz ZIPTXDMTNSHRFT-UHFFFAOYSA-N 1 1 454.558 4.801 20 0 JJADMO CC(C)Cc1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC001462763591 1068159623 /nfs/dbraw/zinc/15/96/23/1068159623.db2.gz ZIPTXDMTNSHRFT-UHFFFAOYSA-N 1 1 454.558 4.801 20 0 JJADMO CCCO[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(F)cc1C ZINC001462771011 1068162423 /nfs/dbraw/zinc/16/24/23/1068162423.db2.gz WXOQXAVCYAMWAE-YPAWHYETSA-N 1 1 452.492 4.781 20 0 JJADMO CCCO[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(F)cc1C ZINC001462771011 1068162431 /nfs/dbraw/zinc/16/24/31/1068162431.db2.gz WXOQXAVCYAMWAE-YPAWHYETSA-N 1 1 452.492 4.781 20 0 JJADMO O=C(CCc1cccc(F)c1Br)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001462770456 1068162450 /nfs/dbraw/zinc/16/24/50/1068162450.db2.gz QTRYQNRHPGQBMP-SJLPKXTDSA-N 1 1 473.308 4.700 20 0 JJADMO O=C(CCc1cccc(F)c1Br)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001462770456 1068162454 /nfs/dbraw/zinc/16/24/54/1068162454.db2.gz QTRYQNRHPGQBMP-SJLPKXTDSA-N 1 1 473.308 4.700 20 0 JJADMO CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3ccccc3C[N@H+](C)C3CCCCC3)cc21 ZINC001462775160 1068164297 /nfs/dbraw/zinc/16/42/97/1068164297.db2.gz HBJWHDCCTZYPRE-UHFFFAOYSA-N 1 1 455.624 4.551 20 0 JJADMO CCN(Cc1cccs1)S(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001462791224 1068168523 /nfs/dbraw/zinc/16/85/23/1068168523.db2.gz GXNIZTYCTZNNJU-BJKOFHAPSA-N 1 1 458.624 4.707 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNS(=O)(=O)c2cc(C(F)(F)F)ccc2F)C1 ZINC001462829527 1068181376 /nfs/dbraw/zinc/18/13/76/1068181376.db2.gz HFELRLAULLDSME-IYBDPMFKSA-N 1 1 458.521 4.801 20 0 JJADMO CCN([C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C)c(Br)c1 ZINC001462894896 1068206580 /nfs/dbraw/zinc/20/65/80/1068206580.db2.gz GOCZKGPULNKXIX-IEBWSBKVSA-N 1 1 451.430 4.604 20 0 JJADMO C[C@H](NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1cc(Cl)cc2c1OCC2 ZINC001463003810 1068246304 /nfs/dbraw/zinc/24/63/04/1068246304.db2.gz VRSVOLLEQRQZCG-NYHFZMIOSA-N 1 1 452.904 4.907 20 0 JJADMO O=S(=O)(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(Cl)cc1Cl ZINC001463094600 1068284803 /nfs/dbraw/zinc/28/48/03/1068284803.db2.gz IHQDZGWMAHTJNV-HNNXBMFYSA-N 1 1 453.313 4.565 20 0 JJADMO O=S(=O)(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(Cl)cc1Cl ZINC001463094600 1068284820 /nfs/dbraw/zinc/28/48/20/1068284820.db2.gz IHQDZGWMAHTJNV-HNNXBMFYSA-N 1 1 453.313 4.565 20 0 JJADMO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)N[C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001463150875 1068304123 /nfs/dbraw/zinc/30/41/23/1068304123.db2.gz RWPGUAVFBYFPRQ-CTVOUCONSA-N 1 1 477.649 4.806 20 0 JJADMO C[C@@]1(NC(=O)c2cccc(OCC(F)F)n2)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001463151247 1068304998 /nfs/dbraw/zinc/30/49/98/1068304998.db2.gz VRMOBLSLYDLRFP-HFZDXXHNSA-N 1 1 451.517 4.514 20 0 JJADMO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(OCc3ccccc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001463229743 1068328036 /nfs/dbraw/zinc/32/80/36/1068328036.db2.gz IVAZLPXSTIURKT-ZJSXRUAMSA-N 1 1 450.604 4.597 20 0 JJADMO CCCOc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1CC ZINC001463278440 1068341769 /nfs/dbraw/zinc/34/17/69/1068341769.db2.gz GLHNJVHCTLANMD-UKILVPOCSA-N 1 1 456.652 4.713 20 0 JJADMO CC(C)(C)C(=O)c1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001463277047 1068342082 /nfs/dbraw/zinc/34/20/82/1068342082.db2.gz DKGQKMMJAWPFMH-LADGPHEKSA-N 1 1 454.636 4.591 20 0 JJADMO COc1cc(C)c(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1C(C)C ZINC001463286668 1068345129 /nfs/dbraw/zinc/34/51/29/1068345129.db2.gz ZPLPVLPPSQAXCX-VWNXMTODSA-N 1 1 456.652 4.802 20 0 JJADMO Cc1c(I)cccc1C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001463345230 1068365247 /nfs/dbraw/zinc/36/52/47/1068365247.db2.gz VJTYBYDOPSJEOR-HSALFYBXSA-N 1 1 474.386 4.630 20 0 JJADMO CC1(C)C[C@H](NS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C(C)(C)O1 ZINC001463417959 1068391363 /nfs/dbraw/zinc/39/13/63/1068391363.db2.gz INFRIXAANCPBEX-ZRBLBEILSA-N 1 1 477.070 4.574 20 0 JJADMO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC001463434884 1068396158 /nfs/dbraw/zinc/39/61/58/1068396158.db2.gz QOTRURXYNZDZEG-KPZWWZAWSA-N 1 1 451.778 4.757 20 0 JJADMO C[N@H+]1CC[C@@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC001463434884 1068396177 /nfs/dbraw/zinc/39/61/77/1068396177.db2.gz QOTRURXYNZDZEG-KPZWWZAWSA-N 1 1 451.778 4.757 20 0 JJADMO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001463568970 1068448905 /nfs/dbraw/zinc/44/89/05/1068448905.db2.gz GBHIKWRFUQBLFN-INIZCTEOSA-N 1 1 454.436 4.614 20 0 JJADMO O=C([C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001463573977 1068452549 /nfs/dbraw/zinc/45/25/49/1068452549.db2.gz NTBNODIDPNSOAK-OAQYLSRUSA-N 1 1 451.920 4.672 20 0 JJADMO O=C([C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001463573977 1068452554 /nfs/dbraw/zinc/45/25/54/1068452554.db2.gz NTBNODIDPNSOAK-OAQYLSRUSA-N 1 1 451.920 4.672 20 0 JJADMO Nc1ccc(Br)cc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC001463657129 1068485102 /nfs/dbraw/zinc/48/51/02/1068485102.db2.gz RGAFJJQBMANTKG-UHFFFAOYSA-N 1 1 450.380 4.579 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)CCC1 ZINC001463743396 1068510173 /nfs/dbraw/zinc/51/01/73/1068510173.db2.gz JGSZNHBWAPOFSA-UHFFFAOYSA-N 1 1 457.665 4.927 20 0 JJADMO O=C(Cc1ccc(C(F)(F)F)cc1)NN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC001463795095 1068527003 /nfs/dbraw/zinc/52/70/03/1068527003.db2.gz IOXHIVLDWGBMRY-UHFFFAOYSA-N 1 1 453.508 4.686 20 0 JJADMO O=C(c1cc(Br)c(C(F)(F)F)cc1F)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001463827050 1068538835 /nfs/dbraw/zinc/53/88/35/1068538835.db2.gz ZADOITOGQLJSBL-UHFFFAOYSA-N 1 1 459.281 4.955 20 0 JJADMO O=S(=O)(Cc1cccc(Cl)c1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001463848974 1068547853 /nfs/dbraw/zinc/54/78/53/1068547853.db2.gz YGSYWVGMMSHWCM-BJKOFHAPSA-N 1 1 458.986 4.567 20 0 JJADMO COc1ccc(C[N@H+]2CCCN(C(=O)/C(=C\c3ccccc3OC)c3ccccc3)CC2)cc1 ZINC001463900306 1068559936 /nfs/dbraw/zinc/55/99/36/1068559936.db2.gz WENMZDOLFKZVBV-MEFGMAGPSA-N 1 1 456.586 4.979 20 0 JJADMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC001464019327 1068591158 /nfs/dbraw/zinc/59/11/58/1068591158.db2.gz ZZBIBNZAIUERER-ACJLOTCBSA-N 1 1 473.795 4.547 20 0 JJADMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1coc(-c2ccc(Br)cc2F)n1 ZINC001464095642 1068613410 /nfs/dbraw/zinc/61/34/10/1068613410.db2.gz MXCNAWIZJXOAFU-KRWDZBQOSA-N 1 1 458.331 4.638 20 0 JJADMO CC[C@H](CNC(=O)c1ccc(Sc2ccccc2Cl)nn1)[N@H+]1CCc2ccccc2C1 ZINC001464100046 1068615445 /nfs/dbraw/zinc/61/54/45/1068615445.db2.gz LYFAXPZQDJURON-LJQANCHMSA-N 1 1 453.011 4.848 20 0 JJADMO CC[C@@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1)[N@H+]1CCc2ccccc2C1 ZINC001464103360 1068616661 /nfs/dbraw/zinc/61/66/61/1068616661.db2.gz YIOOIWWBVOWOGW-BJKOFHAPSA-N 1 1 451.611 4.514 20 0 JJADMO O=C(CC1(CC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCCC1)Nc1nccs1 ZINC001464108173 1068618077 /nfs/dbraw/zinc/61/80/77/1068618077.db2.gz WKRNRHRQZXCLGQ-NRFANRHFSA-N 1 1 454.640 4.593 20 0 JJADMO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 ZINC001464108773 1068618210 /nfs/dbraw/zinc/61/82/10/1068618210.db2.gz STVCRQVRKSQQOY-UHFFFAOYSA-N 1 1 458.599 4.927 20 0 JJADMO CCN1CC[NH+](CCCNC(=O)c2ccc(Cl)cc2Sc2ccc(Cl)cc2)CC1 ZINC001464139429 1068631146 /nfs/dbraw/zinc/63/11/46/1068631146.db2.gz KJORFIMLFLFHHA-UHFFFAOYSA-N 1 1 452.451 4.902 20 0 JJADMO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC001464152635 1068635085 /nfs/dbraw/zinc/63/50/85/1068635085.db2.gz HUAIZHCIWGRRDL-IRXDYDNUSA-N 1 1 450.549 4.714 20 0 JJADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)cc2)C1 ZINC001464154797 1068635652 /nfs/dbraw/zinc/63/56/52/1068635652.db2.gz QDCGYRRSWOLRJF-REWPJTCUSA-N 1 1 455.643 4.572 20 0 JJADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3=Cc4cc(Br)ccc4OC3)cc2)C1 ZINC001464155470 1068635681 /nfs/dbraw/zinc/63/56/81/1068635681.db2.gz UBNGTPQGOYYAPB-QGZVFWFLSA-N 1 1 455.396 4.773 20 0 JJADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC001464156579 1068636277 /nfs/dbraw/zinc/63/62/77/1068636277.db2.gz WUDOITMTGSRLSP-QFIPXVFZSA-N 1 1 455.602 4.632 20 0 JJADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc3cncc(Br)c3n2)C1 ZINC001464157956 1068636813 /nfs/dbraw/zinc/63/68/13/1068636813.db2.gz NMVCVJDBBDLEDQ-INIZCTEOSA-N 1 1 453.384 4.554 20 0 JJADMO C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001464160011 1068637526 /nfs/dbraw/zinc/63/75/26/1068637526.db2.gz ONPSMEFPDWANTN-CPJSRVTESA-N 1 1 457.578 4.958 20 0 JJADMO C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001464160011 1068637532 /nfs/dbraw/zinc/63/75/32/1068637532.db2.gz ONPSMEFPDWANTN-CPJSRVTESA-N 1 1 457.578 4.958 20 0 JJADMO CC(C)(NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1ccc(Br)cc1 ZINC001464166845 1068640934 /nfs/dbraw/zinc/64/09/34/1068640934.db2.gz ZSJMKQJKDIQIQD-LJQANCHMSA-N 1 1 451.355 4.958 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2Cc3cc(Br)ccc3O2)C1 ZINC001464191883 1068650159 /nfs/dbraw/zinc/65/01/59/1068650159.db2.gz FOWCRXWUAZWUGC-MFEFFIJZSA-N 1 1 457.412 4.547 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)C1 ZINC001464203675 1068655464 /nfs/dbraw/zinc/65/54/64/1068655464.db2.gz PMMXYKLQFOVQRV-SNUACVQDSA-N 1 1 457.659 4.864 20 0 JJADMO COc1cc(=O)[nH]cc1C(=O)NC[C@H](c1ccc(C(C)C)cc1)[N@@H+]1CCc2sccc2C1 ZINC001464208765 1068658714 /nfs/dbraw/zinc/65/87/14/1068658714.db2.gz WACURYGQLUTPOT-OAQYLSRUSA-N 1 1 451.592 4.510 20 0 JJADMO COc1cc(=O)[nH]cc1C(=O)NC[C@H](c1ccc(C(C)C)cc1)[N@H+]1CCc2sccc2C1 ZINC001464208765 1068658720 /nfs/dbraw/zinc/65/87/20/1068658720.db2.gz WACURYGQLUTPOT-OAQYLSRUSA-N 1 1 451.592 4.510 20 0 JJADMO C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001464234106 1068667622 /nfs/dbraw/zinc/66/76/22/1068667622.db2.gz IYUAHWWBLIEUNG-KBMIEXCESA-N 1 1 451.586 4.981 20 0 JJADMO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC001464241975 1068671868 /nfs/dbraw/zinc/67/18/68/1068671868.db2.gz UYGVTGYGTNJYCJ-OAQYLSRUSA-N 1 1 455.046 4.865 20 0 JJADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC001464241975 1068671873 /nfs/dbraw/zinc/67/18/73/1068671873.db2.gz UYGVTGYGTNJYCJ-OAQYLSRUSA-N 1 1 455.046 4.865 20 0 JJADMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1OCc1ccc(Cl)cc1 ZINC001464278727 1068687456 /nfs/dbraw/zinc/68/74/56/1068687456.db2.gz HNPXXYYYTOFOMM-UHFFFAOYSA-N 1 1 450.966 4.681 20 0 JJADMO O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC001464281085 1068689391 /nfs/dbraw/zinc/68/93/91/1068689391.db2.gz KWNGEBBKMDATRZ-LADGPHEKSA-N 1 1 458.021 4.687 20 0 JJADMO CC(C)COc1cccc(NC(=O)[C@H](C[N@@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)c1 ZINC001464300918 1068697704 /nfs/dbraw/zinc/69/77/04/1068697704.db2.gz QORPQRIIEKCLFL-QHCPKHFHSA-N 1 1 455.599 4.685 20 0 JJADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3cc4cc(Br)ccc4s3)c2)CCO1 ZINC001464415254 1068738103 /nfs/dbraw/zinc/73/81/03/1068738103.db2.gz ALCDEFMIDNTGEC-HNNXBMFYSA-N 1 1 459.409 4.815 20 0 JJADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3cc4cc(Br)ccc4s3)c2)CCO1 ZINC001464415254 1068738111 /nfs/dbraw/zinc/73/81/11/1068738111.db2.gz ALCDEFMIDNTGEC-HNNXBMFYSA-N 1 1 459.409 4.815 20 0 JJADMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc2c(c1)[C@@H](CNC(=O)OC(C)(C)C)CCC2 ZINC001464435086 1068744526 /nfs/dbraw/zinc/74/45/26/1068744526.db2.gz VOSSBFFBZMQUQB-VLVHOKLOSA-N 1 1 457.659 4.727 20 0 JJADMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 ZINC001464452646 1068751125 /nfs/dbraw/zinc/75/11/25/1068751125.db2.gz XTIDKYOVMPXORJ-ZWKOTPCHSA-N 1 1 459.516 4.532 20 0 JJADMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001464452421 1068751292 /nfs/dbraw/zinc/75/12/92/1068751292.db2.gz ORKVNMWQLNCAOK-BWAGFHJFSA-N 1 1 478.077 4.917 20 0 JJADMO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)c1 ZINC001464466259 1068756676 /nfs/dbraw/zinc/75/66/76/1068756676.db2.gz SZVUGFJFPOOURV-JBDIQEJZSA-N 1 1 454.014 4.502 20 0 JJADMO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001464472775 1068759520 /nfs/dbraw/zinc/75/95/20/1068759520.db2.gz OLUJNFLBVKUYSP-UYAOXDASSA-N 1 1 455.027 4.878 20 0 JJADMO O=C(/C=C/Sc1cc(F)ccc1F)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC001464482804 1068762461 /nfs/dbraw/zinc/76/24/61/1068762461.db2.gz IAHPGTXLZVITCO-OVCLIPMQSA-N 1 1 451.970 4.553 20 0 JJADMO O=C(/C=C\Sc1cc(F)ccc1F)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC001464482797 1068762560 /nfs/dbraw/zinc/76/25/60/1068762560.db2.gz IAHPGTXLZVITCO-NVNXTCNLSA-N 1 1 451.970 4.553 20 0 JJADMO CC(C)(CNC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)n[nH]1)[N@H+]1CCc2ccccc2C1 ZINC001464493213 1068765725 /nfs/dbraw/zinc/76/57/25/1068765725.db2.gz CFNABVHGKCNLCR-UHFFFAOYSA-N 1 1 458.484 4.542 20 0 JJADMO CC(C)(C)c1cc(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)cc(C(C)(C)C)c1O ZINC001464499406 1068766726 /nfs/dbraw/zinc/76/67/26/1068766726.db2.gz IXEWUDKTLBNTGP-UHFFFAOYSA-N 1 1 458.565 4.714 20 0 JJADMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C[C@@H](C)O1 ZINC001464503414 1068767552 /nfs/dbraw/zinc/76/75/52/1068767552.db2.gz NRCDCPGKBHEONB-BRWVUGGUSA-N 1 1 452.473 4.559 20 0 JJADMO COc1ccc(Br)cc1-c1ncc(C(=O)NCC[N@@H+](C)C2CCCCC2)s1 ZINC001464502215 1068767594 /nfs/dbraw/zinc/76/75/94/1068767594.db2.gz PEGBVYOOGMDGKM-UHFFFAOYSA-N 1 1 452.418 4.576 20 0 JJADMO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NC(=O)c1nccc(Cl)c1F)CC2 ZINC001464552006 1068779632 /nfs/dbraw/zinc/77/96/32/1068779632.db2.gz XQYLSALWOOEBCH-UHFFFAOYSA-N 1 1 455.917 4.702 20 0 JJADMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1NC(=O)c1nccc(Cl)c1F)CC2 ZINC001464552006 1068779641 /nfs/dbraw/zinc/77/96/41/1068779641.db2.gz XQYLSALWOOEBCH-UHFFFAOYSA-N 1 1 455.917 4.702 20 0 JJADMO C[C@H]1CCC[C@H](OCc2cccc(NC(=O)CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)c2)C1 ZINC001464574160 1068787843 /nfs/dbraw/zinc/78/78/43/1068787843.db2.gz OGEVIHJNNMICDW-REWPJTCUSA-N 1 1 459.631 4.663 20 0 JJADMO CCN1CC[NH+](CCC(=O)NCc2ccc(Oc3ccc(Cl)cc3Cl)c(C)c2)CC1 ZINC001464599830 1068795245 /nfs/dbraw/zinc/79/52/45/1068795245.db2.gz SCTBWQPCLXOPRQ-UHFFFAOYSA-N 1 1 450.410 4.738 20 0 JJADMO CC(C)(O)C[NH+]1CCN(C(=O)[C@@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)CC1 ZINC001464664209 1068816753 /nfs/dbraw/zinc/81/67/53/1068816753.db2.gz DVXAXIMPYSKUIX-FQEVSTJZSA-N 1 1 453.435 4.742 20 0 JJADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@H]5c6ccccc6NC(=O)[C@@H]5C4)c23)C1 ZINC001164401071 718858328 /nfs/dbraw/zinc/85/83/28/718858328.db2.gz BTTBTHDFMJXMOD-LSTHTHJFSA-N 1 1 473.646 4.584 20 0 JJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3C(=O)Nc4ccccc4[C@H]3C2)n1 ZINC001164403334 718858601 /nfs/dbraw/zinc/85/86/01/718858601.db2.gz MHNXHJBSBNAXEE-RTBURBONSA-N 1 1 455.587 4.592 20 0 JJADMO COc1ccc(-c2csc3nc(-c4cccnc4)nc(N4C[C@H](C)[N@@H+](C)C[C@@H]4C)c23)cc1OC ZINC001164635976 719237246 /nfs/dbraw/zinc/23/72/46/719237246.db2.gz RODRCUTWVCKEGG-IRXDYDNUSA-N 1 1 475.618 4.966 20 0 JJADMO Cc1noc([C@@H]2C[C@@H]3CCN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCCC6)C[C@H]3O2)n1 ZINC001164655383 719300326 /nfs/dbraw/zinc/30/03/26/719300326.db2.gz TUAWRWCEGWANOU-YSIASYRMSA-N 1 1 494.665 4.604 20 0 JJADMO Cc1noc([C@@H]2C[C@@H]3CCN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCCC6)C[C@@H]3O2)n1 ZINC001164655382 719300550 /nfs/dbraw/zinc/30/05/50/719300550.db2.gz TUAWRWCEGWANOU-IHPCNDPISA-N 1 1 494.665 4.604 20 0 JJADMO Cc1noc([C@@H]2C[C@H]3CCN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCCC6)C[C@@H]3O2)n1 ZINC001164655381 719300603 /nfs/dbraw/zinc/30/06/03/719300603.db2.gz TUAWRWCEGWANOU-HOJAQTOUSA-N 1 1 494.665 4.604 20 0 JJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)CC2 ZINC001164647491 719309458 /nfs/dbraw/zinc/30/94/58/719309458.db2.gz MSQHXKQQFHYQFN-UHFFFAOYSA-N 1 1 460.960 4.744 20 0 JJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cc(Cl)nc(-c3ccc(F)c(Cl)c3)n1)CC2 ZINC001164649268 719316820 /nfs/dbraw/zinc/31/68/20/719316820.db2.gz BIXJVJBORXOMLF-UHFFFAOYSA-N 1 1 463.388 4.991 20 0 JJADMO CCc1ccc(Oc2nc(Cl)ncc2N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)cc1 ZINC001164654918 719317355 /nfs/dbraw/zinc/31/73/55/719317355.db2.gz SUKKJNNDFGFDGJ-UHFFFAOYSA-N 1 1 455.006 4.886 20 0 JJADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3c(c(COc4cccnc4)nn3CC3CC3)C2)nc1 ZINC001164654287 719323401 /nfs/dbraw/zinc/32/34/01/719323401.db2.gz JVPRHVUEZHCRNW-SANMLTNESA-N 1 1 472.637 4.772 20 0 JJADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(Cl)cc3)c1)CC2 ZINC001164691069 719757791 /nfs/dbraw/zinc/75/77/91/719757791.db2.gz KVAMLIFCTIKKAB-UHFFFAOYSA-N 1 1 483.390 4.781 20 0 JJADMO CSc1nc(Cl)cc(C(F)(F)N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164691147 719804550 /nfs/dbraw/zinc/80/45/50/719804550.db2.gz DWZDNZZRMGNRSN-UHFFFAOYSA-N 1 1 460.019 4.797 20 0 JJADMO CSc1nc(Cl)cc(C(F)(F)N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164691147 719804551 /nfs/dbraw/zinc/80/45/51/719804551.db2.gz DWZDNZZRMGNRSN-UHFFFAOYSA-N 1 1 460.019 4.797 20 0 JJADMO CCOC(=O)c1sc2nc(C)nc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)c2c1C ZINC001164693463 719813068 /nfs/dbraw/zinc/81/30/68/719813068.db2.gz VEGDVOFSNKLLDX-UHFFFAOYSA-N 1 1 485.679 4.885 20 0 JJADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)Cc2nc4c(ncnc4Cl)s2)CC3)cs1 ZINC001164700222 719817167 /nfs/dbraw/zinc/81/71/67/719817167.db2.gz JXGHVDOPWLKDFF-UHFFFAOYSA-N 1 1 485.029 4.771 20 0 JJADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)Cc2nc4c(ncnc4Cl)s2)CC3)cs1 ZINC001164700222 719817169 /nfs/dbraw/zinc/81/71/69/719817169.db2.gz JXGHVDOPWLKDFF-UHFFFAOYSA-N 1 1 485.029 4.771 20 0 JJADMO Cn1cc([C@@H]2COC3(C2)CCN(c2nc(C[NH+](C)C)nc4scc(-c5ccccc5)c42)CC3)cn1 ZINC001164700052 719826597 /nfs/dbraw/zinc/82/65/97/719826597.db2.gz ZVDCFKXBDBGQFA-FQEVSTJZSA-N 1 1 488.661 4.697 20 0 JJADMO CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164698351 719894523 /nfs/dbraw/zinc/89/45/23/719894523.db2.gz RVBGSUJHTQMFQF-UHFFFAOYSA-N 1 1 464.031 4.623 20 0 JJADMO Cc1nc2sc3c(c2c(N2CCC4(CC2)C[N@@H+](Cc2cccs2)CCO4)n1)CCCC3 ZINC001164699041 719897664 /nfs/dbraw/zinc/89/76/64/719897664.db2.gz WASZMANIUGSMQK-UHFFFAOYSA-N 1 1 454.665 4.811 20 0 JJADMO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164707560 719898850 /nfs/dbraw/zinc/89/88/50/719898850.db2.gz UATPCMPBEZQSCD-UHFFFAOYSA-N 1 1 480.968 4.868 20 0 JJADMO COc1ccc2nc(C(F)(F)N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nc(Cl)c2c1 ZINC001164705415 719899172 /nfs/dbraw/zinc/89/91/72/719899172.db2.gz BMYVQWYGADHMDA-UHFFFAOYSA-N 1 1 494.995 4.770 20 0 JJADMO Fc1cccc(Oc2nc(Cl)ncc2N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164706278 719906817 /nfs/dbraw/zinc/90/68/17/719906817.db2.gz GXFBJXJMLRAADG-UHFFFAOYSA-N 1 1 474.989 4.994 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C2 ZINC001164809301 720088926 /nfs/dbraw/zinc/08/89/26/720088926.db2.gz JHRVBOTZZHOIIN-BTYIYWSLSA-N 1 1 471.379 4.666 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc3cc(Cl)c(Cl)cc3nc1Cl)C2 ZINC001164806390 720093630 /nfs/dbraw/zinc/09/36/30/720093630.db2.gz BXGRBSNUPCQDRA-QKKBWIMNSA-N 1 1 455.817 4.775 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)c(Cl)c1)CC2 ZINC001164712643 720096313 /nfs/dbraw/zinc/09/63/13/720096313.db2.gz XMDSMGYBUCXBPW-SFHVURJKSA-N 1 1 471.379 4.836 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)cnc1Cl)CC2 ZINC001164709653 720098419 /nfs/dbraw/zinc/09/84/19/720098419.db2.gz BVPFMCHGDNEXMD-SFHVURJKSA-N 1 1 471.379 4.836 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)cc1Cl)CC2 ZINC001164710009 720099820 /nfs/dbraw/zinc/09/98/20/720099820.db2.gz FFQVEKXWDYJWKX-QGZVFWFLSA-N 1 1 471.379 4.836 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccc(Cl)cc3)nn1)CC2 ZINC001164712001 720100279 /nfs/dbraw/zinc/10/02/79/720100279.db2.gz TWGNRXHQYCNIHI-QHCPKHFHSA-N 1 1 464.013 4.700 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3ccc(F)cc31)CC2 ZINC001164718573 720107494 /nfs/dbraw/zinc/10/74/94/720107494.db2.gz SLVNKXNAIPCLAN-HXUWFJFHSA-N 1 1 454.977 4.930 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3ccc(F)cc31)CC2 ZINC001164718572 720107823 /nfs/dbraw/zinc/10/78/23/720107823.db2.gz SLVNKXNAIPCLAN-FQEVSTJZSA-N 1 1 454.977 4.930 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c(Cl)cccc31)CC2 ZINC001164715512 720114365 /nfs/dbraw/zinc/11/43/65/720114365.db2.gz GSWVRYLFMSUESZ-GOSISDBHSA-N 1 1 472.420 4.839 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C)nc3sc(C)c(C)c31)CC2 ZINC001164714840 720116259 /nfs/dbraw/zinc/11/62/59/720116259.db2.gz CJDICEHANSEIKX-OAQYLSRUSA-N 1 1 451.640 4.519 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(-c3c[nH]c4ccccc34)n1)CC2 ZINC001164714261 720116306 /nfs/dbraw/zinc/11/63/06/720116306.db2.gz BGGIEWRSWRCXKM-JOCHJYFZSA-N 1 1 468.605 4.527 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc3c(Cl)ccnc31)CC2 ZINC001164718027 720116518 /nfs/dbraw/zinc/11/65/18/720116518.db2.gz QNBLHNPKBHUCSA-SFHVURJKSA-N 1 1 472.420 4.839 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)ncc1-c1ccccc1)CC2 ZINC001164718063 720118912 /nfs/dbraw/zinc/11/89/12/720118912.db2.gz RHNIKHRVHOWXKB-QFIPXVFZSA-N 1 1 464.013 4.700 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164816143 720123236 /nfs/dbraw/zinc/12/32/36/720123236.db2.gz XSOALVWGGURBCS-IIBYNOLFSA-N 1 1 471.379 4.666 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)C2 ZINC001164809717 720126595 /nfs/dbraw/zinc/12/65/95/720126595.db2.gz IMTXQHHBRXLCIC-HRAATJIYSA-N 1 1 471.379 4.666 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cnc(Cl)nc1Oc1ccccc1)CC2 ZINC001164715107 720154648 /nfs/dbraw/zinc/15/46/48/720154648.db2.gz SSCYUGDLVXTLCX-OAQYLSRUSA-N 1 1 480.012 4.825 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)C2 ZINC001164816049 720160556 /nfs/dbraw/zinc/16/05/56/720160556.db2.gz JZIWFJZVXMHPOO-FZKQIMNGSA-N 1 1 454.776 4.771 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)C2 ZINC001164816053 720161168 /nfs/dbraw/zinc/16/11/68/720161168.db2.gz JZIWFJZVXMHPOO-UGSOOPFHSA-N 1 1 454.776 4.771 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3scc(-c4ccc(F)cc4)c31)C2 ZINC001164814256 720163205 /nfs/dbraw/zinc/16/32/05/720163205.db2.gz FIEBEFHKHPIDII-CLOONOSVSA-N 1 1 452.599 4.682 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3scc(-c4ccc(OC)cc4)c31)C2 ZINC001164812991 720165762 /nfs/dbraw/zinc/16/57/62/720165762.db2.gz BHMLOHPFCXRDAA-IBVKSMDESA-N 1 1 464.635 4.552 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nnc(-c3ccc(F)c(F)c3)c3ccccc31)C2 ZINC001164816260 720167064 /nfs/dbraw/zinc/16/70/64/720167064.db2.gz KNCBNBNKCBZRLE-NFQMXDRXSA-N 1 1 464.560 4.760 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(-c4ccccc4)cc3)nn1)C2 ZINC001164814309 720182300 /nfs/dbraw/zinc/18/23/00/720182300.db2.gz FPSZJQJCOWBPOU-WNJJXGMVSA-N 1 1 454.618 4.995 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(-c4ccccc4)cc3)nn1)C2 ZINC001164814307 720182660 /nfs/dbraw/zinc/18/26/60/720182660.db2.gz FPSZJQJCOWBPOU-UHSQPCAPSA-N 1 1 454.618 4.995 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)C2 ZINC001164814414 720186682 /nfs/dbraw/zinc/18/66/82/720186682.db2.gz GFRMWBOOCGQMDV-NFBKMPQASA-N 1 1 462.972 4.527 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc(-c3ccc(F)c(Cl)c3)n1)C2 ZINC001164813660 720193948 /nfs/dbraw/zinc/19/39/48/720193948.db2.gz DDRXPYMBELTDDR-HXOBKFHXSA-N 1 1 465.400 4.774 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3ccc(OC)cc3)nnc1Cl)C2 ZINC001164811516 720203544 /nfs/dbraw/zinc/20/35/44/720203544.db2.gz JDHPOGCOKPGQQY-NTKDMRAZSA-N 1 1 492.998 4.535 20 0 JJADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3cc(OCc4ccccc4)ccc3n1)CCC2 ZINC001164812754 720226720 /nfs/dbraw/zinc/22/67/20/720226720.db2.gz IUAWSTWBGMSAOO-UHFFFAOYSA-N 1 1 483.616 4.621 20 0 JJADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(-c3ccccc3)c3ccccc3n1)CCC2 ZINC001164812161 720234405 /nfs/dbraw/zinc/23/44/05/720234405.db2.gz CCPACNRFDCEKGD-UHFFFAOYSA-N 1 1 453.590 4.709 20 0 JJADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3ccc(C4CCCCC4)cc3)nn1)CCC2 ZINC001164818556 720242089 /nfs/dbraw/zinc/24/20/89/720242089.db2.gz ZJVKTRJMQPMGIL-UHFFFAOYSA-N 1 1 486.664 4.999 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3Cc2csc(C)n2)nc1 ZINC001164815773 720259414 /nfs/dbraw/zinc/25/94/14/720259414.db2.gz FBPJJJBTHDTFSN-DNVJHFABSA-N 1 1 453.656 4.553 20 0 JJADMO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731040 720368186 /nfs/dbraw/zinc/36/81/86/720368186.db2.gz YISFAQBMZJHLSV-QZTJIDSGSA-N 1 1 450.320 4.730 20 0 JJADMO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164731040 720368192 /nfs/dbraw/zinc/36/81/92/720368192.db2.gz YISFAQBMZJHLSV-QZTJIDSGSA-N 1 1 450.320 4.730 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](OCc3csc(C)n3)[C@@H]3OCCC[C@@H]32)nc1 ZINC001164824428 720392658 /nfs/dbraw/zinc/39/26/58/720392658.db2.gz RPCHXRWWYLDCRS-KNAFXUBQSA-N 1 1 456.656 4.737 20 0 JJADMO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cc1 ZINC001164735963 720422048 /nfs/dbraw/zinc/42/20/48/720422048.db2.gz ZZEKWYWRSCXFPW-FCHUYYIVSA-N 1 1 498.961 4.982 20 0 JJADMO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001164735963 720422055 /nfs/dbraw/zinc/42/20/55/720422055.db2.gz ZZEKWYWRSCXFPW-FCHUYYIVSA-N 1 1 498.961 4.982 20 0 JJADMO Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731793 720480370 /nfs/dbraw/zinc/48/03/70/720480370.db2.gz XTTBFOCYGRBOOD-FGZHOGPDSA-N 1 1 469.980 4.502 20 0 JJADMO Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164731793 720480374 /nfs/dbraw/zinc/48/03/74/720480374.db2.gz XTTBFOCYGRBOOD-FGZHOGPDSA-N 1 1 469.980 4.502 20 0 JJADMO Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731802 720480457 /nfs/dbraw/zinc/48/04/57/720480457.db2.gz XTTBFOCYGRBOOD-YADHBBJMSA-N 1 1 469.980 4.502 20 0 JJADMO Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164731802 720480464 /nfs/dbraw/zinc/48/04/64/720480464.db2.gz XTTBFOCYGRBOOD-YADHBBJMSA-N 1 1 469.980 4.502 20 0 JJADMO COc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164727530 720484408 /nfs/dbraw/zinc/48/44/08/720484408.db2.gz NIXZLEGETJOLTG-VXKWHMMOSA-N 1 1 471.939 4.599 20 0 JJADMO COc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164727530 720484411 /nfs/dbraw/zinc/48/44/11/720484411.db2.gz NIXZLEGETJOLTG-VXKWHMMOSA-N 1 1 471.939 4.599 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc4scc(-c5cccs5)c43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164833292 720522997 /nfs/dbraw/zinc/52/29/97/720522997.db2.gz CYENEJKMEKMPIS-CMKODMSKSA-N 1 1 464.664 4.994 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838443 720537882 /nfs/dbraw/zinc/53/78/82/720537882.db2.gz NWAGFLIOJBYTLR-UODIDJSMSA-N 1 1 479.632 4.780 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)CC[C@@H]21 ZINC001164835164 720623025 /nfs/dbraw/zinc/62/30/25/720623025.db2.gz AFIDTIZHCIXJQH-NWSQWKLXSA-N 1 1 486.998 4.916 20 0 JJADMO COc1cccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)n2)c1 ZINC001164836587 720623207 /nfs/dbraw/zinc/62/32/07/720623207.db2.gz FUSROWKLSCJDJQ-VMODYCNZSA-N 1 1 482.632 4.880 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)CC[C@@H]21 ZINC001164843155 720633046 /nfs/dbraw/zinc/63/30/46/720633046.db2.gz WYQXNKORCIDRML-ZOBUZTSGSA-N 1 1 477.909 4.873 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cnc(Cl)nc3Oc3ccccc3F)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839253 720641133 /nfs/dbraw/zinc/64/11/33/720641133.db2.gz MWGXDSXJKYLXOD-WSTZPKSXSA-N 1 1 470.980 4.636 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)nc1Cl)CC2 ZINC001164841070 720662138 /nfs/dbraw/zinc/66/21/38/720662138.db2.gz PCMSYQUSTDRRBQ-MRXNPFEDSA-N 1 1 457.352 4.588 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc3c(Cl)nc(Cl)nc31)CC2 ZINC001164839744 720674188 /nfs/dbraw/zinc/67/41/88/720674188.db2.gz KBZFZAAYLLLZJM-HNNXBMFYSA-N 1 1 493.826 4.640 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc(-c3c[nH]c4ccccc34)n1)CC2 ZINC001164843829 720689572 /nfs/dbraw/zinc/68/95/72/720689572.db2.gz REVOBBWNIZGBII-QFIPXVFZSA-N 1 1 453.590 4.885 20 0 JJADMO COc1cccc2nc(Cl)nc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c21 ZINC001164841048 720694828 /nfs/dbraw/zinc/69/48/28/720694828.db2.gz HFVHITMILWGLGF-LJQANCHMSA-N 1 1 452.986 4.552 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3c1ccn3Cc1ccc(F)cc1)CC2 ZINC001164839817 720695883 /nfs/dbraw/zinc/69/58/83/720695883.db2.gz BYQJRZVEWXZBNT-RUZDIDTESA-N 1 1 485.607 4.879 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)CC2 ZINC001164841810 720698450 /nfs/dbraw/zinc/69/84/50/720698450.db2.gz JCNNVNFJGOROKR-FQEVSTJZSA-N 1 1 472.029 4.950 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)cc(Cc3ccccc3)n1)CC2 ZINC001164836450 720705618 /nfs/dbraw/zinc/70/56/18/720705618.db2.gz ASDGTJPKNAWEFO-XMMPIXPASA-N 1 1 463.025 4.981 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(C(=O)OCc3ccccc3)cn1)CC2 ZINC001164842872 720717448 /nfs/dbraw/zinc/71/74/48/720717448.db2.gz ZPFNAKNAFYVRDR-SANMLTNESA-N 1 1 471.601 4.699 20 0 JJADMO O=C1CCCC2(CCN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5ccccc5)c43)CC2)N1 ZINC001164838929 720732932 /nfs/dbraw/zinc/73/29/32/720732932.db2.gz ZLJMZAUPUOQDDN-UHFFFAOYSA-N 1 1 475.662 4.983 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@@H]32)nc1 ZINC001164844349 720779562 /nfs/dbraw/zinc/77/95/62/720779562.db2.gz BMTJOBIMMMYBMY-QYOOZWMWSA-N 1 1 450.627 4.757 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c3ccccc32)cc1C ZINC001164747930 720847203 /nfs/dbraw/zinc/84/72/03/720847203.db2.gz RZIVOSKMZUQGLT-INNMJMHTSA-N 1 1 493.659 4.885 20 0 JJADMO Cc1sc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1-c1ccccc1 ZINC001164745167 720847713 /nfs/dbraw/zinc/84/77/13/720847713.db2.gz MEBDCWNVGAOVNK-RJGXRXQPSA-N 1 1 485.661 4.638 20 0 JJADMO Cc1sc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1-c1ccccc1 ZINC001164745168 720847901 /nfs/dbraw/zinc/84/79/01/720847901.db2.gz MEBDCWNVGAOVNK-XPWALMASSA-N 1 1 485.661 4.638 20 0 JJADMO Cc1cccc2c1nc(Cl)nc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754433 720882612 /nfs/dbraw/zinc/88/26/12/720882612.db2.gz IWBTZJRZVZZSHZ-CUNXSJBXSA-N 1 1 478.040 4.742 20 0 JJADMO Fc1cccc2nc(Cl)nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164758828 720883242 /nfs/dbraw/zinc/88/32/42/720883242.db2.gz ZRHMTUJLRJBWNF-RXFWQSSRSA-N 1 1 482.003 4.572 20 0 JJADMO CSc1nc2ccsc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164758148 720886094 /nfs/dbraw/zinc/88/60/94/720886094.db2.gz XDMYLYJVHCEAPU-CPJSRVTESA-N 1 1 481.691 4.563 20 0 JJADMO Fc1cnc(Cl)cc1C(F)(F)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756050 720889006 /nfs/dbraw/zinc/88/90/06/720889006.db2.gz OHBVJNUNSFAEQJ-AUSIDOKSSA-N 1 1 480.962 4.569 20 0 JJADMO Cc1nc2cc(Cl)ccc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753289 720891018 /nfs/dbraw/zinc/89/10/18/720891018.db2.gz GKAZGIYECRRPJG-AJTFRIOCSA-N 1 1 478.040 4.742 20 0 JJADMO Cc1nc2cc(Cl)ccc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753300 720891095 /nfs/dbraw/zinc/89/10/95/720891095.db2.gz GKAZGIYECRRPJG-WXVAWEFUSA-N 1 1 478.040 4.742 20 0 JJADMO c1cn(C2CCCC2)c2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164757445 720893091 /nfs/dbraw/zinc/89/30/91/720893091.db2.gz USUYSICRRVVRTL-OUTSHDOLSA-N 1 1 486.664 4.697 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)n1 ZINC001164861174 720894855 /nfs/dbraw/zinc/89/48/55/720894855.db2.gz XCQVOVDQUNRZGC-UHFFFAOYSA-N 1 1 492.693 4.678 20 0 JJADMO Cc1nc2c3ccccc3oc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753448 720897347 /nfs/dbraw/zinc/89/73/47/720897347.db2.gz GVSHKLPTBIRZNV-IADCTJSHSA-N 1 1 483.616 4.835 20 0 JJADMO Cc1nc2c3ccccc3oc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753452 720897480 /nfs/dbraw/zinc/89/74/80/720897480.db2.gz GVSHKLPTBIRZNV-RNWIMVQKSA-N 1 1 483.616 4.835 20 0 JJADMO Cc1cccc2nc(Cl)nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164755635 720899295 /nfs/dbraw/zinc/89/92/95/720899295.db2.gz MHDJPBIWBUYEJJ-AJTFRIOCSA-N 1 1 478.040 4.742 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[C@H](NC(=O)c2ccccc2)CCO3)nc1 ZINC001164859725 720902484 /nfs/dbraw/zinc/90/24/84/720902484.db2.gz PPOPLMDGHLXETL-SKVJQKLOSA-N 1 1 462.638 4.577 20 0 JJADMO Cc1c(Cl)cnc(Cl)c1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749484 720903081 /nfs/dbraw/zinc/90/30/81/720903081.db2.gz AFOYLAGHJSNUHA-GBXCKJPGSA-N 1 1 461.437 4.847 20 0 JJADMO Fc1cc2ncnc(Cl)c2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164757132 720903538 /nfs/dbraw/zinc/90/35/38/720903538.db2.gz SUTSWZFAQRKNCX-FQRUVTKNSA-N 1 1 482.003 4.572 20 0 JJADMO Cc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)cc1Cl ZINC001164756250 720903778 /nfs/dbraw/zinc/90/37/78/720903778.db2.gz OTISDQBXQCRAOO-YKSBVNFPSA-N 1 1 461.437 4.847 20 0 JJADMO CSc1cc(Cl)cnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754239 720905083 /nfs/dbraw/zinc/90/50/83/720905083.db2.gz VBCSCGVSQSSGGY-YKSBVNFPSA-N 1 1 459.059 4.607 20 0 JJADMO c1ccc(COc2cccnc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc1 ZINC001164752916 720908176 /nfs/dbraw/zinc/90/81/76/720908176.db2.gz PKCYUOLOBQFUOT-BHBYDHKZSA-N 1 1 484.644 4.811 20 0 JJADMO Fc1ccc2nc(C(F)F)nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164752972 720929802 /nfs/dbraw/zinc/92/98/02/720929802.db2.gz PRDSACQKEBIZMO-HRFSGMKKSA-N 1 1 497.565 4.857 20 0 JJADMO Fc1ccc2nc(C(F)F)nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164752961 720929902 /nfs/dbraw/zinc/92/99/02/720929902.db2.gz PRDSACQKEBIZMO-CCLHPLFOSA-N 1 1 497.565 4.857 20 0 JJADMO COc1cc2c(cc1OCc1ccccc1)ncnc2N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164863243 720936213 /nfs/dbraw/zinc/93/62/13/720936213.db2.gz ZBEQYGOQCBMDIT-FQEVSTJZSA-N 1 1 486.620 4.835 20 0 JJADMO Fc1ccc2c(Cl)ncnc2c1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754191 720937916 /nfs/dbraw/zinc/93/79/16/720937916.db2.gz UGHQHWDBGFJGDX-FNZWTVRRSA-N 1 1 482.003 4.572 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)[C@H]2C ZINC001164859208 720943655 /nfs/dbraw/zinc/94/36/55/720943655.db2.gz LFHFOOOPTMTHLB-INIZCTEOSA-N 1 1 460.960 4.960 20 0 JJADMO CC(C)CN1[C@H]2CC[N@@H+](C(C)(C)c3ccnc(Cl)c3)CC[C@H]2Oc2ccccc2S1(=O)=O ZINC001164755537 720973263 /nfs/dbraw/zinc/97/32/63/720973263.db2.gz AEVWROMGBUEYDN-VQTJNVASSA-N 1 1 478.058 4.542 20 0 JJADMO CC(C)CN1[C@H]2CC[N@H+](C(C)(C)c3ccnc(Cl)c3)CC[C@H]2Oc2ccccc2S1(=O)=O ZINC001164755537 720973276 /nfs/dbraw/zinc/97/32/76/720973276.db2.gz AEVWROMGBUEYDN-VQTJNVASSA-N 1 1 478.058 4.542 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(CN3CCCC3)nc3sc4c(c31)CCCC4)[C@H]2C ZINC001164859686 721004195 /nfs/dbraw/zinc/00/41/95/721004195.db2.gz LJIMCQMRXYZQLI-IBGZPJMESA-N 1 1 493.725 4.784 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncnc3cc(OCc4ccccc4)ccc31)[C@@H]2C ZINC001164864827 721019351 /nfs/dbraw/zinc/01/93/51/721019351.db2.gz ZUQMQHPVUJDHJF-HXUWFJFHSA-N 1 1 456.594 4.827 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@@]4(C[C@H](OCc5ccccn5)CO4)C3)c2c1C ZINC001164760811 721030852 /nfs/dbraw/zinc/03/08/52/721030852.db2.gz DMCNFBGUOXGOSN-WXVAWEFUSA-N 1 1 493.677 4.644 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@@]3(C[C@@H](OCc4ccccn4)CO3)C2)n1 ZINC001164767508 721031364 /nfs/dbraw/zinc/03/13/64/721031364.db2.gz SALSSULXVKXNHX-AJTFRIOCSA-N 1 1 495.693 4.890 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C[C@@H](OCc4ccccn4)CO3)C2)nc1 ZINC001164759842 721031662 /nfs/dbraw/zinc/03/16/62/721031662.db2.gz AEKAXTFDPCABKP-RGSZASNESA-N 1 1 450.627 4.758 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)nc1 ZINC001164759847 721032138 /nfs/dbraw/zinc/03/21/38/721032138.db2.gz AEKAXTFDPCABKP-ZWEKWIFMSA-N 1 1 450.627 4.758 20 0 JJADMO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164861147 721032561 /nfs/dbraw/zinc/03/25/61/721032561.db2.gz DHIUWWPQRHBPSZ-UHFFFAOYSA-N 1 1 463.319 4.591 20 0 JJADMO Fc1ccccc1-c1cc(C(F)(F)N2CCc3[nH+]cc(Cn4cccn4)n3CC2)cnc1Cl ZINC001164862003 721033792 /nfs/dbraw/zinc/03/37/92/721033792.db2.gz JRBYOOMMCLRBGL-UHFFFAOYSA-N 1 1 472.902 4.590 20 0 JJADMO Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)n1 ZINC001164773688 721056163 /nfs/dbraw/zinc/05/61/63/721056163.db2.gz SWAMVRUMEYXYHU-DHIUTWEWSA-N 1 1 498.656 4.503 20 0 JJADMO FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866829 721066032 /nfs/dbraw/zinc/06/60/32/721066032.db2.gz FZWTXJYIIGOZDG-XZOQPEGZSA-N 1 1 470.951 4.822 20 0 JJADMO Fc1ccc(-c2nc3ccc(Cl)cc3c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164867386 721067457 /nfs/dbraw/zinc/06/74/57/721067457.db2.gz IRIAXSLYVUMIRG-GOTSBHOMSA-N 1 1 489.982 4.964 20 0 JJADMO Cc1ccc(-c2csc3ncnc(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)c23)cc1 ZINC001164867693 721076173 /nfs/dbraw/zinc/07/61/73/721076173.db2.gz ZOGVEIPVXPDEIL-YADHBBJMSA-N 1 1 457.603 4.541 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(-c5ccccc5)cc(-c5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164763656 721101207 /nfs/dbraw/zinc/10/12/07/721101207.db2.gz GMPIXMRIOLKMNO-LOSJGSFVSA-N 1 1 450.590 4.502 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5ccccc5)cc(-c5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164763658 721101699 /nfs/dbraw/zinc/10/16/99/721101699.db2.gz GMPIXMRIOLKMNO-RPBOFIJWSA-N 1 1 450.590 4.502 20 0 JJADMO Clc1ccc2nc(-c3ccccc3)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164864275 721104828 /nfs/dbraw/zinc/10/48/28/721104828.db2.gz FFSMXNJUXLCNIF-XZOQPEGZSA-N 1 1 471.992 4.825 20 0 JJADMO c1ccc(COc2ccc3nc(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@H]5C4)ccc3c2)cc1 ZINC001164864402 721105898 /nfs/dbraw/zinc/10/58/98/721105898.db2.gz FTTSIZMKHLEGLJ-AHKZPQOWSA-N 1 1 466.585 4.689 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5ccc(Cl)cc5)nc5ccccc54)C[C@H]3C2)cn1 ZINC001164773811 721128218 /nfs/dbraw/zinc/12/82/18/721128218.db2.gz ZCZNQRYGQWINOS-NHCUHLMSSA-N 1 1 458.997 4.642 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc5cc(OCc6ccccc6)ccc5n4)C[C@@H]3C2)cn1 ZINC001164769070 721153566 /nfs/dbraw/zinc/15/35/66/721153566.db2.gz PHYMBTHHVFFANH-DQEYMECFSA-N 1 1 453.590 4.506 20 0 JJADMO COc1ccc(-c2nc3ccc(Cl)cc3c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)n2)cc1 ZINC001164762140 721153678 /nfs/dbraw/zinc/15/36/78/721153678.db2.gz CCATUTNQZIATPZ-SFTDATJTSA-N 1 1 489.023 4.651 20 0 JJADMO COc1ccc(-c2nc3ccc(Cl)cc3c(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)cc1 ZINC001164762133 721154738 /nfs/dbraw/zinc/15/47/38/721154738.db2.gz CCATUTNQZIATPZ-NHCUHLMSSA-N 1 1 489.023 4.651 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(-c5ccccc5)nc5ccc(Cl)cc54)C[C@H]3C2)cn1 ZINC001164773659 721156287 /nfs/dbraw/zinc/15/62/87/721156287.db2.gz YNYYZERBUJXQOM-LEWJYISDSA-N 1 1 458.997 4.642 20 0 JJADMO c1csc(-c2nc(-c3ccccc3)cc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)c1 ZINC001164873620 721161360 /nfs/dbraw/zinc/16/13/60/721161360.db2.gz JHKRMRLWRATGSI-GOTSBHOMSA-N 1 1 469.614 4.747 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(-c5ccc(Cl)nc5)ccc4C4OCCCO4)C[C@@H]3C2)cn1 ZINC001164774415 721178060 /nfs/dbraw/zinc/17/80/60/721178060.db2.gz YZXVLQWLHGPQFB-PKTZIBPZSA-N 1 1 494.039 4.529 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncnc5scc(-c6ccc(Cl)cc6)c54)C[C@H]3C2)cn1 ZINC001164766988 721195762 /nfs/dbraw/zinc/19/57/62/721195762.db2.gz JVAORFUKCNFCHA-RTBURBONSA-N 1 1 465.026 4.704 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncnc5cc(-c6ccc(Cl)cc6)sc54)C[C@H]3C2)cn1 ZINC001164767796 721199350 /nfs/dbraw/zinc/19/93/50/721199350.db2.gz KPFDTKMKWUOGAI-RBUKOAKNSA-N 1 1 465.026 4.704 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5cccs5)nc5sc6c(c54)CCC6)C[C@@H]3C2)cn1 ZINC001164771886 721201077 /nfs/dbraw/zinc/20/10/77/721201077.db2.gz RSQSIRVZFCBVQH-MSOLQXFVSA-N 1 1 476.675 4.600 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(-c5ccc(-c6ccccc6)cc5)nn4)C[C@@H]3C2)cn1 ZINC001164761324 721216868 /nfs/dbraw/zinc/21/68/68/721216868.db2.gz AMAYJGBDJOTCEO-FTJBHMTQSA-N 1 1 450.590 4.502 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC4(CC3)CN(c3ccccn3)CCO4)c2c1C ZINC001164870760 721219539 /nfs/dbraw/zinc/21/95/39/721219539.db2.gz HTZDOPYZXFZKTP-UHFFFAOYSA-N 1 1 492.693 4.565 20 0 JJADMO Cc1cc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164769486 721221964 /nfs/dbraw/zinc/22/19/64/721221964.db2.gz MNOZWMXFDNPGPP-SXOMAYOGSA-N 1 1 464.617 4.811 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(-c5ccc(Oc6ccccc6)cc5)nn4)C[C@@H]3C2)cn1 ZINC001164762586 721227628 /nfs/dbraw/zinc/22/76/28/721227628.db2.gz LFIBMMZJXMRNFL-ZEQRLZLVSA-N 1 1 466.589 4.628 20 0 JJADMO C[C@H]1c2ncc(COCC3CC3)n2CCN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164871808 721241605 /nfs/dbraw/zinc/24/16/05/721241605.db2.gz IIYLMCJHOBLSEL-SFHVURJKSA-N 1 1 492.693 4.870 20 0 JJADMO C[C@H]1c2ncc(COCC3CC3)n2CCN1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164875866 721242793 /nfs/dbraw/zinc/24/27/93/721242793.db2.gz XUNLVGMVIKIWCM-SFHVURJKSA-N 1 1 492.693 4.870 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCn3c(COCC4CC4)cnc3[C@H]2C)n1 ZINC001164873166 721242884 /nfs/dbraw/zinc/24/28/84/721242884.db2.gz PUGYAPPHTUHHTA-QGZVFWFLSA-N 1 1 468.671 4.854 20 0 JJADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC5(CCC(=O)N5CC5CC5)CC4)c23)C1 ZINC001164776689 721307031 /nfs/dbraw/zinc/30/70/31/721307031.db2.gz ORUSXYUKVAEXQS-LJQANCHMSA-N 1 1 493.721 4.783 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)n1 ZINC001164879581 721314008 /nfs/dbraw/zinc/31/40/08/721314008.db2.gz NRZRTKQMWGKANG-PWRODBHTSA-N 1 1 481.666 4.608 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)n1 ZINC001164879577 721314173 /nfs/dbraw/zinc/31/41/73/721314173.db2.gz NRZRTKQMWGKANG-NJDAHSKKSA-N 1 1 481.666 4.608 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC4(C[C@H](Oc5ncccc5F)CO4)CC3)c2c1C ZINC001164777813 721326884 /nfs/dbraw/zinc/32/68/84/721326884.db2.gz RCAXIYGIHFCREI-IBGZPJMESA-N 1 1 497.640 4.645 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(Cl)nc3Cl)C2)C1 ZINC001164776554 721333966 /nfs/dbraw/zinc/33/39/66/721333966.db2.gz GKPCRBVHEHNUKE-FQEVSTJZSA-N 1 1 475.367 4.657 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(Cl)nc3Cl)C2)C1 ZINC001164776554 721333972 /nfs/dbraw/zinc/33/39/72/721333972.db2.gz GKPCRBVHEHNUKE-FQEVSTJZSA-N 1 1 475.367 4.657 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4c(Cl)ncnc4c3)C2)C1 ZINC001164778558 721339590 /nfs/dbraw/zinc/33/95/90/721339590.db2.gz NDVGJTRJUAZZLK-QHCPKHFHSA-N 1 1 491.970 4.552 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4c(Cl)ncnc4c3)C2)C1 ZINC001164778558 721339593 /nfs/dbraw/zinc/33/95/93/721339593.db2.gz NDVGJTRJUAZZLK-QHCPKHFHSA-N 1 1 491.970 4.552 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4nc(Cl)cnc4c3)C2)C1 ZINC001164777275 721347374 /nfs/dbraw/zinc/34/73/74/721347374.db2.gz FGKYUTLUGDWEBR-HSZRJFAPSA-N 1 1 491.970 4.552 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4nc(Cl)cnc4c3)C2)C1 ZINC001164777275 721347380 /nfs/dbraw/zinc/34/73/80/721347380.db2.gz FGKYUTLUGDWEBR-HSZRJFAPSA-N 1 1 491.970 4.552 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3c(Cl)ncc(Cl)c3Cl)C2)C1 ZINC001164776854 721352091 /nfs/dbraw/zinc/35/20/91/721352091.db2.gz DMHLTXKZGVNOKA-FQEVSTJZSA-N 1 1 459.805 4.766 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3c(Cl)ncc(Cl)c3Cl)C2)C1 ZINC001164776854 721352096 /nfs/dbraw/zinc/35/20/96/721352096.db2.gz DMHLTXKZGVNOKA-FQEVSTJZSA-N 1 1 459.805 4.766 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc4ccccc4nc3Cl)C2)C1 ZINC001164786150 721357111 /nfs/dbraw/zinc/35/71/11/721357111.db2.gz WOYWEUCUDHBYRX-QHCPKHFHSA-N 1 1 491.970 4.552 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc4ccccc4nc3Cl)C2)C1 ZINC001164786150 721357116 /nfs/dbraw/zinc/35/71/16/721357116.db2.gz WOYWEUCUDHBYRX-QHCPKHFHSA-N 1 1 491.970 4.552 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@@H]2CC(=O)N3c2ccsc2)n1 ZINC001164885254 721358391 /nfs/dbraw/zinc/35/83/91/721358391.db2.gz XRJRLZCRBVNBCK-MSOLQXFVSA-N 1 1 455.653 4.596 20 0 JJADMO O=C1C[C@@H]2[C@@H](CCN2c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)N1c1ccsc1 ZINC001164882634 721358591 /nfs/dbraw/zinc/35/85/91/721358591.db2.gz KHUQBOWBCDRPJY-RTBURBONSA-N 1 1 479.675 4.612 20 0 JJADMO CCCCOc1cnc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c(Cl)c1 ZINC001164780222 721362709 /nfs/dbraw/zinc/36/27/09/721362709.db2.gz DHWIAAKPVOFWLA-XMMPIXPASA-N 1 1 463.022 4.638 20 0 JJADMO CCCCOc1cnc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c(Cl)c1 ZINC001164780222 721362712 /nfs/dbraw/zinc/36/27/12/721362712.db2.gz DHWIAAKPVOFWLA-XMMPIXPASA-N 1 1 463.022 4.638 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(-c4cccc(Cl)c4)ncn3)C2)C1 ZINC001164787076 721368018 /nfs/dbraw/zinc/36/80/18/721368018.db2.gz YKPCPAOXBPXPBL-VWLOTQADSA-N 1 1 468.001 4.521 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(-c4cccc(Cl)c4)ncn3)C2)C1 ZINC001164787076 721368021 /nfs/dbraw/zinc/36/80/21/721368021.db2.gz YKPCPAOXBPXPBL-VWLOTQADSA-N 1 1 468.001 4.521 20 0 JJADMO c1ccc(C[N@H+]2CCc3nc(N4CCO[C@]5(CCC[C@@H]5COCc5ccncc5)C4)ccc3C2)cc1 ZINC001164780358 721383752 /nfs/dbraw/zinc/38/37/52/721383752.db2.gz GKNHROBAIZHETE-POURPWNDSA-N 1 1 484.644 4.627 20 0 JJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@]3(CCC[C@@H]3COCc3ccncc3)C2)nc1 ZINC001164783172 721386812 /nfs/dbraw/zinc/38/68/12/721386812.db2.gz NVEHIBIMWUZSPI-RGSZASNESA-N 1 1 450.627 4.616 20 0 JJADMO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164787598 721403784 /nfs/dbraw/zinc/40/37/84/721403784.db2.gz QAUMNTBLLMBUJF-RYUDHWBXSA-N 1 1 456.349 4.506 20 0 JJADMO Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164783974 721410768 /nfs/dbraw/zinc/41/07/68/721410768.db2.gz JPTAQVTVSWHAOP-OYRHEFFESA-N 1 1 475.021 4.884 20 0 JJADMO Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164783974 721410770 /nfs/dbraw/zinc/41/07/70/721410770.db2.gz JPTAQVTVSWHAOP-OYRHEFFESA-N 1 1 475.021 4.884 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(-c5ccccc5)nc5ccc(Cl)cc54)C3)O2)CC1 ZINC001164887245 721419873 /nfs/dbraw/zinc/41/98/73/721419873.db2.gz LPYPIHVUCSJMCO-QDPGVEIFSA-N 1 1 492.067 4.716 20 0 JJADMO c1csc(C[NH+]2C[C@@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCCC6)C[C@H]3C2)n1 ZINC001164787251 721425200 /nfs/dbraw/zinc/42/52/00/721425200.db2.gz PSEJQSDACKOYKA-QZTJIDSGSA-N 1 1 474.659 4.657 20 0 JJADMO Cc1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164898767 721442873 /nfs/dbraw/zinc/44/28/73/721442873.db2.gz WYGPKPUVXONFHF-GRKNLSHJSA-N 1 1 497.687 4.884 20 0 JJADMO Cc1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164898769 721443026 /nfs/dbraw/zinc/44/30/26/721443026.db2.gz WYGPKPUVXONFHF-IZEXYCQBSA-N 1 1 497.687 4.884 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)cc1Cl)CC2 ZINC001164786019 721452237 /nfs/dbraw/zinc/45/22/37/721452237.db2.gz MFRVZMYHTFPASX-KRWDZBQOSA-N 1 1 478.411 4.667 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(-c3ccnc(Cl)c3)ccn1)CC2 ZINC001164788674 721454782 /nfs/dbraw/zinc/45/47/82/721454782.db2.gz SKNOOXXWSCBTCB-HSZRJFAPSA-N 1 1 471.045 4.531 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(-c3ccnc(Cl)c3)ccn1)CC2 ZINC001164788676 721454808 /nfs/dbraw/zinc/45/48/08/721454808.db2.gz SKNOOXXWSCBTCB-QHCPKHFHSA-N 1 1 471.045 4.531 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cc3cc(OC)ccc31)CC2 ZINC001164783715 721463101 /nfs/dbraw/zinc/46/31/01/721463101.db2.gz GABRPCJAJKZGJL-NRFANRHFSA-N 1 1 474.045 4.631 20 0 JJADMO CC(C)C(=O)N1CC[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CC[C@@H](C)C5)CC[C@H]21 ZINC001164887616 721465394 /nfs/dbraw/zinc/46/53/94/721465394.db2.gz CYGIMMVWWQMWQP-KCZVDYSFSA-N 1 1 495.737 4.885 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CC2)Cc2ccccc2CN(C)C3=O)n1 ZINC001164894466 721473531 /nfs/dbraw/zinc/47/35/31/721473531.db2.gz MVQHAJJZANMUPH-UHFFFAOYSA-N 1 1 491.705 4.951 20 0 JJADMO COc1cc2nc(Cl)c(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)nc2cc1OC ZINC001164791546 721496171 /nfs/dbraw/zinc/49/61/71/721496171.db2.gz DFOOJJLGPUXLIA-UHFFFAOYSA-N 1 1 468.001 4.576 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4ccccc4)c32)[C@H]2CCCO[C@H]12 ZINC001164799939 721540866 /nfs/dbraw/zinc/54/08/66/721540866.db2.gz CFJPXNLZBPXUGH-ZDXQCDESSA-N 1 1 457.603 4.622 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4ccccc4)c32)[C@H]2CCCO[C@H]12 ZINC001164799939 721540870 /nfs/dbraw/zinc/54/08/70/721540870.db2.gz CFJPXNLZBPXUGH-ZDXQCDESSA-N 1 1 457.603 4.622 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4ccccc4)c32)[C@@H]2CCCO[C@@H]12 ZINC001164799937 721541164 /nfs/dbraw/zinc/54/11/64/721541164.db2.gz CFJPXNLZBPXUGH-CQOQZXRMSA-N 1 1 457.603 4.622 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4ccccc4)c32)[C@@H]2CCCO[C@@H]12 ZINC001164799937 721541165 /nfs/dbraw/zinc/54/11/65/721541165.db2.gz CFJPXNLZBPXUGH-CQOQZXRMSA-N 1 1 457.603 4.622 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)[C@@H]2CCCO[C@H]12 ZINC001164806101 721545990 /nfs/dbraw/zinc/54/59/90/721545990.db2.gz NUTKJHMNXMLVJP-AQNXPRMDSA-N 1 1 494.373 4.745 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)[C@@H]2CCCO[C@H]12 ZINC001164806101 721545995 /nfs/dbraw/zinc/54/59/95/721545995.db2.gz NUTKJHMNXMLVJP-AQNXPRMDSA-N 1 1 494.373 4.745 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ccnc(Cl)c3c2)[C@H]2CCCO[C@@H]12 ZINC001164804450 721548323 /nfs/dbraw/zinc/54/83/23/721548323.db2.gz JRGZZKHHJAEUDZ-BHDDXSALSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ccnc(Cl)c3c2)[C@H]2CCCO[C@@H]12 ZINC001164804450 721548327 /nfs/dbraw/zinc/54/83/27/721548327.db2.gz JRGZZKHHJAEUDZ-BHDDXSALSA-N 1 1 458.940 4.696 20 0 JJADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccncc5)c4)CC[N@H+]3C2)c1 ZINC001164905953 721561736 /nfs/dbraw/zinc/56/17/36/721561736.db2.gz IEDRGGGXDDDLAN-TZIWHRDSSA-N 1 1 474.914 4.823 20 0 JJADMO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccncc5)c4)CC[N@H+]3C2)c1 ZINC001164905951 721561926 /nfs/dbraw/zinc/56/19/26/721561926.db2.gz IEDRGGGXDDDLAN-PZJWPPBQSA-N 1 1 474.914 4.823 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc3ccccc3nc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164805678 721567239 /nfs/dbraw/zinc/56/72/39/721567239.db2.gz OKQIAZAAMOXMGE-BHDDXSALSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc3ccccc3nc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164805678 721567244 /nfs/dbraw/zinc/56/72/44/721567244.db2.gz OKQIAZAAMOXMGE-BHDDXSALSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(OCc3ccccc3)cc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164801176 721572011 /nfs/dbraw/zinc/57/20/11/721572011.db2.gz GJQBIIOKPPQPMG-UBFVSLLYSA-N 1 1 464.997 4.577 20 0 JJADMO Cc1sc2nc(-c3cccnc3)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2c1C ZINC001164809489 721577402 /nfs/dbraw/zinc/57/74/02/721577402.db2.gz SMZRFHBRGBRYMN-GPXNEJASSA-N 1 1 486.645 4.633 20 0 JJADMO Cc1sc2nc(-c3cccnc3)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2c1C ZINC001164809489 721577404 /nfs/dbraw/zinc/57/74/04/721577404.db2.gz SMZRFHBRGBRYMN-GPXNEJASSA-N 1 1 486.645 4.633 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)[C@@H]2CCCO[C@@H]12 ZINC001164805223 721580104 /nfs/dbraw/zinc/58/01/04/721580104.db2.gz LAVBXKMLYLPNIO-CQOQZXRMSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)[C@@H]2CCCO[C@@H]12 ZINC001164805223 721580106 /nfs/dbraw/zinc/58/01/06/721580106.db2.gz LAVBXKMLYLPNIO-CQOQZXRMSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(-c3ccccc3)nnc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164810751 721580243 /nfs/dbraw/zinc/58/02/43/721580243.db2.gz WBNXHVPKUCCPMS-DNVJHFABSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(-c3ccccc3)nnc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164810751 721580244 /nfs/dbraw/zinc/58/02/44/721580244.db2.gz WBNXHVPKUCCPMS-DNVJHFABSA-N 1 1 485.966 4.605 20 0 JJADMO Cc1ccc(-c2nc3ccccc3c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)n2)s1 ZINC001164810864 721582318 /nfs/dbraw/zinc/58/23/18/721582318.db2.gz WNFJITMEJMAMBJ-GIFXNVAJSA-N 1 1 471.630 4.930 20 0 JJADMO Cc1ccc(-c2nc3ccccc3c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)n2)s1 ZINC001164810864 721582320 /nfs/dbraw/zinc/58/23/20/721582320.db2.gz WNFJITMEJMAMBJ-GIFXNVAJSA-N 1 1 471.630 4.930 20 0 JJADMO FC(F)(c1nc(Cl)c2ccccc2n1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908514 721585477 /nfs/dbraw/zinc/58/54/77/721585477.db2.gz ZRUMRBPHJUZODJ-OAQYLSRUSA-N 1 1 479.909 4.961 20 0 JJADMO CSc1nc(Cl)cc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908009 721586002 /nfs/dbraw/zinc/58/60/02/721586002.db2.gz XZFGYFFIBCRTGL-GOSISDBHSA-N 1 1 475.943 4.530 20 0 JJADMO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164810103 721589337 /nfs/dbraw/zinc/58/93/37/721589337.db2.gz UJGKVFZOMJJNGE-QTEQDKRBSA-N 1 1 458.940 4.738 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccco3)c2)[C@@H]2CCCO[C@H]12 ZINC001164806824 721591849 /nfs/dbraw/zinc/59/18/49/721591849.db2.gz NBSQAEDVMCUGHQ-SJBKTWHCSA-N 1 1 474.939 4.803 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccco3)c2)[C@@H]2CCCO[C@H]12 ZINC001164806824 721591851 /nfs/dbraw/zinc/59/18/51/721591851.db2.gz NBSQAEDVMCUGHQ-SJBKTWHCSA-N 1 1 474.939 4.803 20 0 JJADMO Cc1cccc(-c2cc(C(F)(F)N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c(Cl)nn2)c1 ZINC001164800881 721591864 /nfs/dbraw/zinc/59/18/64/721591864.db2.gz DAKGZPXKIHQVDA-HJOGWXRNSA-N 1 1 499.993 4.914 20 0 JJADMO Cc1cccc(-c2cc(C(F)(F)N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c(Cl)nn2)c1 ZINC001164800881 721591866 /nfs/dbraw/zinc/59/18/66/721591866.db2.gz DAKGZPXKIHQVDA-HJOGWXRNSA-N 1 1 499.993 4.914 20 0 JJADMO C[C@H]1CCc2c(sc3ncnc(N4CCC(F)(F)[C@]5(CC[N@@H+](Cc6ccccn6)C5)C4)c23)C1 ZINC001164905376 721702793 /nfs/dbraw/zinc/70/27/93/721702793.db2.gz ISUPSGDASOPVLH-XDHUDOTRSA-N 1 1 469.605 4.949 20 0 JJADMO FC1(F)CCN(c2cc(Cl)nnc2-c2ccccc2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904900 721705486 /nfs/dbraw/zinc/70/54/86/721705486.db2.gz FJONYUTUXSFBAU-QHCPKHFHSA-N 1 1 455.940 4.930 20 0 JJADMO Fc1cccc(Cn2ccc3c2ncnc3N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164908230 721707841 /nfs/dbraw/zinc/70/78/41/721707841.db2.gz WMRHWFYKGSGCQX-SANMLTNESA-N 1 1 492.549 4.751 20 0 JJADMO CC(C)n1ccc2c1nc(Cl)nc2N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906480 721720070 /nfs/dbraw/zinc/72/00/70/721720070.db2.gz MHYNGSUQWOQNKB-QFIPXVFZSA-N 1 1 460.960 4.798 20 0 JJADMO FC1(F)CCN(c2ncc(Cl)nc2-c2ccccc2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164911245 721728377 /nfs/dbraw/zinc/72/83/77/721728377.db2.gz JJEWEJLXEZJNLB-QHCPKHFHSA-N 1 1 455.940 4.930 20 0 JJADMO FC1(F)CCN(c2cc(-c3nc(-c4cccs4)no3)ccn2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164911163 721730835 /nfs/dbraw/zinc/73/08/35/721730835.db2.gz IIUDHAKAPDOFTB-XMMPIXPASA-N 1 1 494.571 4.993 20 0 JJADMO FC1(F)CCN(c2nc(-c3ccccn3)nc3sccc32)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164912609 721733239 /nfs/dbraw/zinc/73/32/39/721733239.db2.gz OTTWLSFPHYYWAB-XMMPIXPASA-N 1 1 478.572 4.886 20 0 JJADMO FC1(F)CCN(c2cncc(OCc3cccc(Cl)c3)n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164910566 721734804 /nfs/dbraw/zinc/73/48/04/721734804.db2.gz GITXLEUHHVPWRZ-DEOSSOPVSA-N 1 1 485.966 4.842 20 0 JJADMO Cc1cnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1-c1ccccc1F ZINC001164912774 721735847 /nfs/dbraw/zinc/73/58/47/721735847.db2.gz QAFBJARXUSYORH-XMMPIXPASA-N 1 1 453.512 4.724 20 0 JJADMO FC1(F)CCN(c2c(Cl)nc(Cl)nc2C2CC2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164909100 721737682 /nfs/dbraw/zinc/73/76/82/721737682.db2.gz BGLTYIJWVQBECV-FQEVSTJZSA-N 1 1 454.352 4.794 20 0 JJADMO CCOC(=O)c1cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc2ccccc21 ZINC001164911545 721753677 /nfs/dbraw/zinc/75/36/77/721753677.db2.gz WNZILRDJBHZOLZ-UHFFFAOYSA-N 1 1 456.546 4.594 20 0 JJADMO CCOC(=O)c1cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc2ccccc21 ZINC001164911545 721753682 /nfs/dbraw/zinc/75/36/82/721753682.db2.gz WNZILRDJBHZOLZ-UHFFFAOYSA-N 1 1 456.546 4.594 20 0 JJADMO CCOC(=O)c1cc2c(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)[nH]c(C)c(C)c-2n1 ZINC001164911437 721757366 /nfs/dbraw/zinc/75/73/66/721757366.db2.gz VWWVDDYJGFSULO-UHFFFAOYSA-N 1 1 473.577 4.539 20 0 JJADMO CCOC(=O)c1cc2c(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)[nH]c(C)c(C)c-2n1 ZINC001164911437 721757367 /nfs/dbraw/zinc/75/73/67/721757367.db2.gz VWWVDDYJGFSULO-UHFFFAOYSA-N 1 1 473.577 4.539 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3[nH]c4ccc(Cl)cc4c31)C2 ZINC001164908991 721759911 /nfs/dbraw/zinc/75/99/11/721759911.db2.gz BKOQVEFJUZYEHN-UHFFFAOYSA-N 1 1 458.953 4.947 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3[nH]c4ccc(Cl)cc4c31)C2 ZINC001164908991 721759917 /nfs/dbraw/zinc/75/99/17/721759917.db2.gz BKOQVEFJUZYEHN-UHFFFAOYSA-N 1 1 458.953 4.947 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3ncn4Cc3ccccc3)C[C@H]21 ZINC001165018713 721806937 /nfs/dbraw/zinc/80/69/37/721806937.db2.gz BZTYFSNRSADTTM-YMPZKCBVSA-N 1 1 488.039 4.660 20 0 JJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)n1 ZINC001164917342 721807800 /nfs/dbraw/zinc/80/78/00/721807800.db2.gz VCYJQRYQUTVGQW-JIPXPUAJSA-N 1 1 487.629 4.632 20 0 JJADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165026443 721809134 /nfs/dbraw/zinc/80/91/34/721809134.db2.gz QIKQIYKLAXUDNF-YUXAGFNASA-N 1 1 477.634 4.514 20 0 JJADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165026440 721809211 /nfs/dbraw/zinc/80/92/11/721809211.db2.gz QIKQIYKLAXUDNF-BWAGFHJFSA-N 1 1 477.634 4.514 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCO[C@@H]4[C@H](COCc5nccs5)CC[C@@H]43)c2c1C ZINC001164916293 721810792 /nfs/dbraw/zinc/81/07/92/721810792.db2.gz GKNYBWMOMJOTJD-SFYKDHMMSA-N 1 1 499.706 4.561 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc(Oc4ccc(F)cc4)n3)C[C@H]21 ZINC001165022757 721817227 /nfs/dbraw/zinc/81/72/27/721817227.db2.gz HDBZWQYGIMMYJQ-MAODMQOUSA-N 1 1 468.964 4.588 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc(Oc4cccc(F)c4)n3)C[C@H]21 ZINC001165018823 721817908 /nfs/dbraw/zinc/81/79/08/721817908.db2.gz AOIJOWQRGIGYQP-MAODMQOUSA-N 1 1 468.964 4.588 20 0 JJADMO CCOC(=O)c1sc2nc(C)nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2c1C ZINC001165028907 721823147 /nfs/dbraw/zinc/82/31/47/721823147.db2.gz VVIOMEBAAMYILP-JBACZVJFSA-N 1 1 479.650 4.617 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(-c4nc(-c5cccs5)no4)ccn3)C[C@H]21 ZINC001165030137 721827658 /nfs/dbraw/zinc/82/76/58/721827658.db2.gz XXIUMJTWFAROEX-KSEOMHKRSA-N 1 1 472.618 4.992 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(-c4ccccn4)nc4sccc43)C[C@H]21 ZINC001165024135 721828797 /nfs/dbraw/zinc/82/87/97/721828797.db2.gz JTBPHZWNGLBXIM-QTGUNEKASA-N 1 1 456.619 4.885 20 0 JJADMO COc1ccc(Oc2cc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nc(C)n2)cc1 ZINC001165019159 721829346 /nfs/dbraw/zinc/82/93/46/721829346.db2.gz BFALVMCVSNIPRT-OPXMRZJTSA-N 1 1 459.594 4.718 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)COC(=O)Nc3cccnc3Cl)C[C@H]21 ZINC001165028234 721830186 /nfs/dbraw/zinc/83/01/86/721830186.db2.gz UYXRHOYFFAASPN-YVWKXTFCSA-N 1 1 479.959 4.504 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)C[C@@H]21 ZINC001165027825 721832442 /nfs/dbraw/zinc/83/24/42/721832442.db2.gz UCZFXGINUQKXLY-HYVNUMGLSA-N 1 1 479.000 4.503 20 0 JJADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2cc(C3CC3)nnc2Cl)CC1 ZINC001165022068 721843784 /nfs/dbraw/zinc/84/37/84/721843784.db2.gz OXQLUOSIURYESI-UHFFFAOYSA-N 1 1 466.960 4.670 20 0 JJADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2cc(Cl)nc3c2CCC3)CC1 ZINC001165031260 721845326 /nfs/dbraw/zinc/84/53/26/721845326.db2.gz ZPPCESNQIARVCZ-UHFFFAOYSA-N 1 1 465.972 4.887 20 0 JJADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(-c2cccnc2)nc2scc(-c3ccccc3)c21 ZINC001164933573 721878840 /nfs/dbraw/zinc/87/88/40/721878840.db2.gz MYMLUDMBTJBXPQ-XZOQPEGZSA-N 1 1 470.646 4.635 20 0 JJADMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(-c2cccnc2)nc2scc(-c3ccccc3)c21 ZINC001164933573 721878841 /nfs/dbraw/zinc/87/88/41/721878841.db2.gz MYMLUDMBTJBXPQ-XZOQPEGZSA-N 1 1 470.646 4.635 20 0 JJADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001164933501 721879087 /nfs/dbraw/zinc/87/90/87/721879087.db2.gz MKMDVYMTMLRVHK-BJKOFHAPSA-N 1 1 490.721 4.559 20 0 JJADMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001164933501 721879089 /nfs/dbraw/zinc/87/90/89/721879089.db2.gz MKMDVYMTMLRVHK-BJKOFHAPSA-N 1 1 490.721 4.559 20 0 JJADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(-c2cccnc2)nc2sc(-c3ccccc3)cc21 ZINC001164930966 721880091 /nfs/dbraw/zinc/88/00/91/721880091.db2.gz DPOONVBQEKRUJL-PKTZIBPZSA-N 1 1 470.646 4.635 20 0 JJADMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(-c2cccnc2)nc2sc(-c3ccccc3)cc21 ZINC001164930966 721880092 /nfs/dbraw/zinc/88/00/92/721880092.db2.gz DPOONVBQEKRUJL-PKTZIBPZSA-N 1 1 470.646 4.635 20 0 JJADMO c1csc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3c2nc(-c3cnccn3)nc3sc4c(c32)CCCC4)c1 ZINC001164938043 721914207 /nfs/dbraw/zinc/91/42/07/721914207.db2.gz VAWSALUFLHJMGX-CALCHBBNSA-N 1 1 474.659 4.942 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc5cc(F)c(F)cc5nc4Cl)CC3)C2)cc1 ZINC001164939385 721925086 /nfs/dbraw/zinc/92/50/86/721925086.db2.gz LEVWKSNZZALFLZ-UHFFFAOYSA-N 1 1 458.940 4.741 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)Cc4nc(Cl)cc(Cl)n4)CC3)C2)cc1 ZINC001164940192 721929394 /nfs/dbraw/zinc/92/93/94/721929394.db2.gz RKJDHFYRBPMCAR-UHFFFAOYSA-N 1 1 471.379 4.594 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncnc5oc(-c6ccc(C)cc6)nc54)CC3)C2)cc1 ZINC001164940682 721931024 /nfs/dbraw/zinc/93/10/24/721931024.db2.gz WUNUOVHBTQDTHX-UHFFFAOYSA-N 1 1 469.589 4.773 20 0 JJADMO COc1ccc(Oc2cc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)nc(C)n2)cc1 ZINC001164940233 721932997 /nfs/dbraw/zinc/93/29/97/721932997.db2.gz SRQHEIOQQYEVLQ-UHFFFAOYSA-N 1 1 474.605 4.766 20 0 JJADMO Clc1ccc2c(c1)[nH+]ccc2N1CCN(c2ncnc3c2CCN(Cc2ccccc2)C3)CC1 ZINC001165043752 721939910 /nfs/dbraw/zinc/93/99/10/721939910.db2.gz FOQZLSOSTMEJCX-UHFFFAOYSA-N 1 1 471.008 4.563 20 0 JJADMO COC[C@]12COC[C@@H]1CN(c1nc(C[NH+]3CCCCC3)nc3scc(-c4cccs4)c31)C2 ZINC001164952889 721994761 /nfs/dbraw/zinc/99/47/61/721994761.db2.gz QUIGITXYXGYZFZ-BXKMTCNYSA-N 1 1 470.664 4.505 20 0 JJADMO Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001164954377 722004133 /nfs/dbraw/zinc/00/41/33/722004133.db2.gz WVDUHVHOBWLPQE-RPBOFIJWSA-N 1 1 461.613 4.817 20 0 JJADMO Fc1cccc2c(Cl)nc(C(F)(F)N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc12 ZINC001164951983 722014558 /nfs/dbraw/zinc/01/45/58/722014558.db2.gz FLNCEBOZDKZHAL-UHFFFAOYSA-N 1 1 461.919 4.855 20 0 JJADMO Fc1cccc(Cn2ccc3c2ncnc3N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164951988 722018368 /nfs/dbraw/zinc/01/83/68/722018368.db2.gz FLSNATBCSMQCFY-UHFFFAOYSA-N 1 1 456.569 4.506 20 0 JJADMO O=C(c1ccccc1)n1ccc2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc21 ZINC001164955441 722021205 /nfs/dbraw/zinc/02/12/05/722021205.db2.gz GWHVVNUFKXBECG-UHFFFAOYSA-N 1 1 451.574 4.612 20 0 JJADMO Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)C3)n1 ZINC001164964996 722026971 /nfs/dbraw/zinc/02/69/71/722026971.db2.gz YMMMMBMRYFOGJI-ZEQKJWHPSA-N 1 1 471.045 4.627 20 0 JJADMO c1ccc(-c2nc(-c3ccccc3)nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n2)cc1 ZINC001164962228 722055225 /nfs/dbraw/zinc/05/52/25/722055225.db2.gz BTFWXJAFMNIQCJ-UHFFFAOYSA-N 1 1 492.627 4.720 20 0 JJADMO c1ccc2c(c1)cccc2-c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nn1 ZINC001164959948 722060860 /nfs/dbraw/zinc/06/08/60/722060860.db2.gz ACJWNPHBDQAFCA-UHFFFAOYSA-N 1 1 465.601 4.811 20 0 JJADMO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164962398 722061104 /nfs/dbraw/zinc/06/11/04/722061104.db2.gz RMZOCPIQBJIFMN-UHFFFAOYSA-N 1 1 472.967 4.947 20 0 JJADMO c1cc(C[N@H+]2CCOCC3(CCN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)CC3)C2)ccn1 ZINC001164960658 722061296 /nfs/dbraw/zinc/06/12/96/722061296.db2.gz GDTUIXMTZMSEQF-UHFFFAOYSA-N 1 1 498.675 4.648 20 0 JJADMO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164964311 722061925 /nfs/dbraw/zinc/06/19/25/722061925.db2.gz FTJZBRVEAFQVSF-UHFFFAOYSA-N 1 1 472.967 4.989 20 0 JJADMO Cc1cncc(COCc2cnc3n2CCN(c2ccc4c(n2)CC[N@H+](Cc2ccccc2)C4)[C@@H]3C)c1 ZINC001164966354 722063027 /nfs/dbraw/zinc/06/30/27/722063027.db2.gz RLOWIKSJYBCYLG-HSZRJFAPSA-N 1 1 494.643 4.838 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3[C@H](C2)c2ccccc2[C@H]3NC(=O)N(C)C)n1 ZINC001164979149 722097993 /nfs/dbraw/zinc/09/79/93/722097993.db2.gz HFLAEYVBPHHHOD-ZFGGDYGUSA-N 1 1 492.693 4.696 20 0 JJADMO Fc1ccc2nc(-c3ccccc3F)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164985808 722107754 /nfs/dbraw/zinc/10/77/54/722107754.db2.gz WYSXCJSIYBEZLO-FNZWTVRRSA-N 1 1 487.554 4.697 20 0 JJADMO Clc1cc2nc(Cl)c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2cc1Cl ZINC001164971434 722108206 /nfs/dbraw/zinc/10/82/06/722108206.db2.gz CLFDTTXWWZSIAE-FOIQADDNSA-N 1 1 478.811 4.712 20 0 JJADMO Clc1cc2nc(Cl)c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2cc1Cl ZINC001164971436 722108396 /nfs/dbraw/zinc/10/83/96/722108396.db2.gz CLFDTTXWWZSIAE-MGPUTAFESA-N 1 1 478.811 4.712 20 0 JJADMO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976317 722123065 /nfs/dbraw/zinc/12/30/65/722123065.db2.gz LEVIVFSOEHRJBM-APWZRJJASA-N 1 1 494.373 4.604 20 0 JJADMO c1ccc(COc2ccc3nc(N4CC[C@@H]5C[N@@H+](Cc6cccnc6)CCO[C@@H]5C4)ccc3c2)cc1 ZINC001164983205 722126130 /nfs/dbraw/zinc/12/61/30/722126130.db2.gz YMDBCYIVRGEEHH-GGXMVOPNSA-N 1 1 480.612 4.936 20 0 JJADMO FC(F)(c1cccc2ccnc(Cl)c21)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981173 722126697 /nfs/dbraw/zinc/12/66/97/722126697.db2.gz UCCNWHMXTWSPIS-CTNGQTDRSA-N 1 1 458.940 4.555 20 0 JJADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975171 722129855 /nfs/dbraw/zinc/12/98/55/722129855.db2.gz FGAAFGPKTTZEDL-LAUBAEHRSA-N 1 1 473.404 4.673 20 0 JJADMO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976030 722148946 /nfs/dbraw/zinc/14/89/46/722148946.db2.gz GLEVAGWYHYPRJR-SIKLNZKXSA-N 1 1 458.940 4.555 20 0 JJADMO Clc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164971675 722154690 /nfs/dbraw/zinc/15/46/90/722154690.db2.gz CXKCKCIYXQRMSN-PGRDOPGGSA-N 1 1 486.403 4.698 20 0 JJADMO Clc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977146 722154967 /nfs/dbraw/zinc/15/49/67/722154967.db2.gz XOJLNBVONLENNE-XMSQKQJNSA-N 1 1 486.403 4.698 20 0 JJADMO c1ccc(C[N@H+]2CCc3nc(N4CCC[C@@]5(C[C@H](OCC6CCCC6)CO5)C4)ccc3C2)cc1 ZINC001164976767 722164560 /nfs/dbraw/zinc/16/45/60/722164560.db2.gz CVSMJZYNSCLKPF-LITSAYRRSA-N 1 1 461.650 4.975 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)nc1 ZINC001164992376 722186285 /nfs/dbraw/zinc/18/62/85/722186285.db2.gz WECIGBLAMSKCLR-DSNGMDLFSA-N 1 1 469.699 4.653 20 0 JJADMO CN(C)C(=O)c1cc2cnc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc2n1C1CCCC1 ZINC001164995387 722199478 /nfs/dbraw/zinc/19/94/78/722199478.db2.gz NEJBAHFOCQIRHO-MUUNZHRXSA-N 1 1 490.627 4.632 20 0 JJADMO O=C(c1cnc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c(Cl)c1)N1CCCCC1 ZINC001164995396 722209046 /nfs/dbraw/zinc/20/90/46/722209046.db2.gz NOHDVPYYNJTSDT-VWLOTQADSA-N 1 1 456.993 4.745 20 0 JJADMO O=C(c1cnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(Cl)c1)N1CCCCC1 ZINC001164995396 722209048 /nfs/dbraw/zinc/20/90/48/722209048.db2.gz NOHDVPYYNJTSDT-VWLOTQADSA-N 1 1 456.993 4.745 20 0 JJADMO c1ccc(C[C@@H]2[C@H](OCC3CC3)CCN2c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)cc1 ZINC001165006083 722271584 /nfs/dbraw/zinc/27/15/84/722271584.db2.gz LSIFAAHKNCPAKE-VSGBNLITSA-N 1 1 454.618 4.652 20 0 JJADMO c1ccc(C[C@@H]2[C@H](OCC3CC3)CCN2c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC001165006083 722271586 /nfs/dbraw/zinc/27/15/86/722271586.db2.gz LSIFAAHKNCPAKE-VSGBNLITSA-N 1 1 454.618 4.652 20 0 JJADMO CC(C)c1nnc(N2CCN([C@@H](C)c3nccs3)CC2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001359715494 1064263646 /nfs/dbraw/zinc/26/36/46/1064263646.db2.gz CJCYGXKACBRRBG-YADHBBJMSA-N 1 1 481.714 4.652 20 0 JJADMO CC(C)c1nnc(N2CCN([C@@H](C)c3nccs3)CC2)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001359715493 1064263796 /nfs/dbraw/zinc/26/37/96/1064263796.db2.gz CJCYGXKACBRRBG-VXKWHMMOSA-N 1 1 481.714 4.652 20 0 JJADMO CC(C)c1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001359715491 1064263833 /nfs/dbraw/zinc/26/38/33/1064263833.db2.gz CJCYGXKACBRRBG-FCHUYYIVSA-N 1 1 481.714 4.652 20 0 JJADMO CC(C)c1nnc(N2CCN(c3ccccc3F)C[C@H]2C)n1CCC[N@@H+](C)C1CCCCC1 ZINC001359716999 1064265702 /nfs/dbraw/zinc/26/57/02/1064265702.db2.gz DVKZZDGCIAFBCG-OAQYLSRUSA-N 1 1 456.654 4.910 20 0 JJADMO CC(C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001359719071 1064266173 /nfs/dbraw/zinc/26/61/73/1064266173.db2.gz AWPXXNFXUILAFA-ISKFKSNPSA-N 1 1 496.700 4.759 20 0 JJADMO CC(C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001359719395 1064266726 /nfs/dbraw/zinc/26/67/26/1064266726.db2.gz LDNQCCJSRXELKT-QFIPXVFZSA-N 1 1 475.685 4.833 20 0 JJADMO CC(C)c1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1Cc1cscc1C(F)(F)F ZINC001359721472 1064268565 /nfs/dbraw/zinc/26/85/65/1064268565.db2.gz WNLYSWGJJRSEQX-UHFFFAOYSA-N 1 1 479.572 4.731 20 0 JJADMO CC(C)c1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001359727101 1064273750 /nfs/dbraw/zinc/27/37/50/1064273750.db2.gz IVNMFQVTTAGEAW-FKBYEOEOSA-N 1 1 474.694 4.502 20 0 JJADMO C[C@H](Cc1cc(Br)ccc1F)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001545867039 1064276793 /nfs/dbraw/zinc/27/67/93/1064276793.db2.gz RUJWRRMVXHCGFM-DYESRHJHSA-N 1 1 459.403 4.938 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@@H]2CC)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001545868647 1064280872 /nfs/dbraw/zinc/28/08/72/1064280872.db2.gz UNDBVZULVBADEH-PMOQBDJRSA-N 1 1 458.695 4.618 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1C[C@H]1CC[C@@H](F)C1 ZINC001545875815 1064293014 /nfs/dbraw/zinc/29/30/14/1064293014.db2.gz HLNDORMJMWKVRK-ACIOBRDBSA-N 1 1 490.712 4.816 20 0 JJADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001545879700 1064294657 /nfs/dbraw/zinc/29/46/57/1064294657.db2.gz DKBXDXYQIBGGKN-IFMALSPDSA-N 1 1 451.394 4.636 20 0 JJADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1nn(-c2ccccc2Cl)cc1C ZINC001545879856 1064295369 /nfs/dbraw/zinc/29/53/69/1064295369.db2.gz HZCMESFXNZPUTJ-HXUWFJFHSA-N 1 1 452.986 4.666 20 0 JJADMO CC(C)[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C(C)C)C1)[NH+]1CCOCC1 ZINC001359738765 1064302996 /nfs/dbraw/zinc/30/29/96/1064302996.db2.gz CLKGPYWMPVGYKE-ROUUACIJSA-N 1 1 496.519 4.608 20 0 JJADMO CC(C)[C@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001359738802 1064303646 /nfs/dbraw/zinc/30/36/46/1064303646.db2.gz DDJZAFYGKUDWPR-IRXDYDNUSA-N 1 1 496.881 4.564 20 0 JJADMO CC(C)[C@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001359738802 1064303660 /nfs/dbraw/zinc/30/36/60/1064303660.db2.gz DDJZAFYGKUDWPR-IRXDYDNUSA-N 1 1 496.881 4.564 20 0 JJADMO C[N@@H+](CCNC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1)Cc1ccccc1 ZINC001434876627 1064310463 /nfs/dbraw/zinc/31/04/63/1064310463.db2.gz HZAZUMDFPDOZLZ-UHFFFAOYSA-N 1 1 458.602 4.562 20 0 JJADMO Cc1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)nn1-c1ccc(Br)cc1 ZINC001434883969 1064315940 /nfs/dbraw/zinc/31/59/40/1064315940.db2.gz QCUPZDUPGWFAEG-FXAWDEMLSA-N 1 1 453.384 4.509 20 0 JJADMO CC(C)[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C(C)C)C1)[NH+]1CCOCC1 ZINC001359746079 1064322011 /nfs/dbraw/zinc/32/20/11/1064322011.db2.gz YHESRZZCIOXFGX-OZXSUGGESA-N 1 1 497.728 4.994 20 0 JJADMO CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@H+]2CCCC[C@H]2C)CCO1 ZINC001359747556 1064328836 /nfs/dbraw/zinc/32/88/36/1064328836.db2.gz DOLZSHPXGLABHP-TZIWHRDSSA-N 1 1 461.054 4.509 20 0 JJADMO CC(C)[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](C)[N@@H+](C)C2CC2)CCS1 ZINC001359747767 1064330334 /nfs/dbraw/zinc/33/03/34/1064330334.db2.gz IALWZRQDLINLAY-FOIQADDNSA-N 1 1 496.494 4.907 20 0 JJADMO CC(C)[C@@H]1CN(c2nnc(-c3cccnc3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CCS1 ZINC001359749449 1064336920 /nfs/dbraw/zinc/33/69/20/1064336920.db2.gz RBBICGTUORKYMZ-QPPBQGQZSA-N 1 1 464.683 4.829 20 0 JJADMO CC(C)[C@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CCS1 ZINC001359753357 1064343001 /nfs/dbraw/zinc/34/30/01/1064343001.db2.gz IDCHHCBHLBHJEO-DHIUTWEWSA-N 1 1 485.101 4.798 20 0 JJADMO CC(C)[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC001359753915 1064344436 /nfs/dbraw/zinc/34/44/36/1064344436.db2.gz UOALOUVYHXIFLB-XUZZJYLKSA-N 1 1 457.638 4.524 20 0 JJADMO CC(C)[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CCO1 ZINC001359755076 1064346492 /nfs/dbraw/zinc/34/64/92/1064346492.db2.gz RULOZAKEEOPJCM-GOTSBHOMSA-N 1 1 460.066 4.828 20 0 JJADMO COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001434920466 1064348095 /nfs/dbraw/zinc/34/80/95/1064348095.db2.gz KBFAYTBAITVRRA-LXFBAYGMSA-N 1 1 458.602 4.556 20 0 JJADMO COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001434920466 1064348107 /nfs/dbraw/zinc/34/81/07/1064348107.db2.gz KBFAYTBAITVRRA-LXFBAYGMSA-N 1 1 458.602 4.556 20 0 JJADMO CC(C)[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CCS1 ZINC001359755777 1064351152 /nfs/dbraw/zinc/35/11/52/1064351152.db2.gz GKYFCXNVMBPQOT-SSGKUCQKSA-N 1 1 477.763 4.895 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(Oc2c(OC)cccc2OC)CC1 ZINC001434941930 1064364259 /nfs/dbraw/zinc/36/42/59/1064364259.db2.gz FBSQZBGLGKPKKB-ISKFKSNPSA-N 1 1 466.622 4.622 20 0 JJADMO CC(C)[C@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001359759734 1064365758 /nfs/dbraw/zinc/36/57/58/1064365758.db2.gz LDRUGUTUCYDRRC-AOYPEHQESA-N 1 1 467.702 4.825 20 0 JJADMO CC(C)[C@@H]1OCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001359761553 1064372521 /nfs/dbraw/zinc/37/25/21/1064372521.db2.gz IRZNOYLKWZATET-BVAGGSTKSA-N 1 1 483.701 4.519 20 0 JJADMO CC(C)[C@H]1OCCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001359763284 1064378810 /nfs/dbraw/zinc/37/88/10/1064378810.db2.gz IDRWZCOLZQBVGY-AHKZPQOWSA-N 1 1 467.702 4.825 20 0 JJADMO Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001434963972 1064378823 /nfs/dbraw/zinc/37/88/23/1064378823.db2.gz WPZGUZHTHCKIIM-GOSISDBHSA-N 1 1 451.014 4.556 20 0 JJADMO CC(C)CC(=O)Nc1cccc(Cn2c(CC(C)C)nnc2N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC001359764768 1064385368 /nfs/dbraw/zinc/38/53/68/1064385368.db2.gz IXTWNLYQVHDXIL-JOCHJYFZSA-N 1 1 480.701 4.820 20 0 JJADMO CC(C)C[C@H](Cn1c(Cc2ccsc2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC001359770992 1064403663 /nfs/dbraw/zinc/40/36/63/1064403663.db2.gz OSRMYUAGWZOIJJ-WIOPSUGQSA-N 1 1 480.726 4.617 20 0 JJADMO CC(C)CC1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)CC1 ZINC001359774785 1064416444 /nfs/dbraw/zinc/41/64/44/1064416444.db2.gz BITOSUAFYPSKPD-DHIUTWEWSA-N 1 1 489.749 4.818 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@@H](CF)c2ccc(Br)cc2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001359776943 1064419680 /nfs/dbraw/zinc/41/96/80/1064419680.db2.gz WYMBVCQJMPBABS-PXNSSMCTSA-N 1 1 489.437 4.845 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1C[C@](C)(O)C1CCCCC1 ZINC001359777168 1064420349 /nfs/dbraw/zinc/42/03/49/1064420349.db2.gz CGHRTFDDGMJMMQ-NAKRPHOHSA-N 1 1 467.702 4.909 20 0 JJADMO Cc1cccc(COc2ccc([C@@H](C)NC(=O)[C@H](c3ccccc3)N3CC[NH+](C)CC3)cc2)c1 ZINC001435014709 1064431612 /nfs/dbraw/zinc/43/16/12/1064431612.db2.gz LZUHNCCEZNNPDE-LXFBAYGMSA-N 1 1 457.618 4.740 20 0 JJADMO Cc1cccc(COc2ccc([C@@H](C)NC(=O)[C@@H](c3ccccc3)N3CC[NH+](C)CC3)cc2)c1 ZINC001435014713 1064431779 /nfs/dbraw/zinc/43/17/79/1064431779.db2.gz LZUHNCCEZNNPDE-QDPGVEIFSA-N 1 1 457.618 4.740 20 0 JJADMO CC(C)Cc1nnc(N2C[C@H](c3ccccc3)C[C@@H]2C)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359792753 1064450114 /nfs/dbraw/zinc/45/01/14/1064450114.db2.gz PBRFBVFCAHUICZ-ZPFZUWPUSA-N 1 1 453.675 4.747 20 0 JJADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)C3(Cc4cccc(F)c4)CCC3)CC2)c1C ZINC001359796439 1064456197 /nfs/dbraw/zinc/45/61/97/1064456197.db2.gz ZTGMRORQEMMZQO-UHFFFAOYSA-N 1 1 453.602 4.682 20 0 JJADMO COc1cc(Br)ccc1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001435045500 1064462137 /nfs/dbraw/zinc/46/21/37/1064462137.db2.gz FDFAJHMVERZBKO-SFHVURJKSA-N 1 1 451.792 4.896 20 0 JJADMO COc1cc(Br)ccc1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001435045500 1064462143 /nfs/dbraw/zinc/46/21/43/1064462143.db2.gz FDFAJHMVERZBKO-SFHVURJKSA-N 1 1 451.792 4.896 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001359798644 1064462404 /nfs/dbraw/zinc/46/24/04/1064462404.db2.gz MHTYYYANEQQLOS-FGZHOGPDSA-N 1 1 490.737 4.871 20 0 JJADMO CC(C)c1c(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)cnn1-c1ccccn1 ZINC001435048234 1064465650 /nfs/dbraw/zinc/46/56/50/1064465650.db2.gz XCHGGDQCWMCOTQ-NRFANRHFSA-N 1 1 452.002 4.829 20 0 JJADMO CC(C)c1c(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)cnn1-c1ccccn1 ZINC001435048234 1064465655 /nfs/dbraw/zinc/46/56/55/1064465655.db2.gz XCHGGDQCWMCOTQ-NRFANRHFSA-N 1 1 452.002 4.829 20 0 JJADMO CC(C)Cc1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001359807878 1064479113 /nfs/dbraw/zinc/47/91/13/1064479113.db2.gz DXJJJMPUICNUSN-UHFFFAOYSA-N 1 1 488.721 4.600 20 0 JJADMO CC(C)Cc1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CCc1c[nH]c2cc(F)ccc12 ZINC001359807910 1064479154 /nfs/dbraw/zinc/47/91/54/1064479154.db2.gz FLAQHQSZPFSWMQ-UHFFFAOYSA-N 1 1 454.638 4.896 20 0 JJADMO C[C@H](CNC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)[N@@H+]1CCc2sccc2C1 ZINC001359813540 1064490426 /nfs/dbraw/zinc/49/04/26/1064490426.db2.gz XCUGPISOWJTGGL-QGZVFWFLSA-N 1 1 455.624 4.612 20 0 JJADMO C[C@H](CNC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)[N@H+]1CCc2sccc2C1 ZINC001359813540 1064490446 /nfs/dbraw/zinc/49/04/46/1064490446.db2.gz XCUGPISOWJTGGL-QGZVFWFLSA-N 1 1 455.624 4.612 20 0 JJADMO CC(C)Cc1nnc(N2CCC(O)(c3ccccc3Cl)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001359815000 1064494745 /nfs/dbraw/zinc/49/47/45/1064494745.db2.gz DMNXQULMEBYJPJ-UHFFFAOYSA-N 1 1 474.093 4.883 20 0 JJADMO CC(C)Cc1nnc(N2CCC(OCc3ccccc3)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001359817462 1064500451 /nfs/dbraw/zinc/50/04/51/1064500451.db2.gz FAYVTQDTZLZTCE-XMMPIXPASA-N 1 1 453.675 4.783 20 0 JJADMO CC(C)Cc1nnc(N2CCc3cccc(Br)c3C2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001359821370 1064504631 /nfs/dbraw/zinc/50/46/31/1064504631.db2.gz IOGSJUXEXGVXDO-RTBURBONSA-N 1 1 474.491 4.922 20 0 JJADMO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC001435089185 1064507783 /nfs/dbraw/zinc/50/77/83/1064507783.db2.gz BPYFCCVIYXFBEB-SFHVURJKSA-N 1 1 452.986 4.717 20 0 JJADMO C[C@@H](c1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1)[NH+]1CCOCC1 ZINC001435090065 1064508376 /nfs/dbraw/zinc/50/83/76/1064508376.db2.gz FUUGTIXRDWKXEG-HNNXBMFYSA-N 1 1 458.971 4.514 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1C[C@](C)(O)c1ccsc1 ZINC001359832826 1064517375 /nfs/dbraw/zinc/51/73/75/1064517375.db2.gz PCTRBTIDSWCMOF-OTPAQWSUSA-N 1 1 459.704 4.537 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001359832849 1064517407 /nfs/dbraw/zinc/51/74/07/1064517407.db2.gz POFUBGOJHYHGHJ-PKTZIBPZSA-N 1 1 490.737 4.824 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001359833307 1064518490 /nfs/dbraw/zinc/51/84/90/1064518490.db2.gz WBVKZTLUANLQPK-UXHICEINSA-N 1 1 481.611 4.654 20 0 JJADMO CC(C)Cc1nnc(N2CCCN(Cc3ccc(F)cc3)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359841679 1064528941 /nfs/dbraw/zinc/52/89/41/1064528941.db2.gz YABDUCWVCSPXII-NEKDWFFYSA-N 1 1 484.708 4.839 20 0 JJADMO CC(C)Cc1nnc(N2CCCN(c3ccccc3)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001359841735 1064528998 /nfs/dbraw/zinc/52/89/98/1064528998.db2.gz ZKGHSDNVWABWEJ-DEOSSOPVSA-N 1 1 452.691 4.705 20 0 JJADMO CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001359846916 1064532914 /nfs/dbraw/zinc/53/29/14/1064532914.db2.gz KSZPBTGRNBRXPN-QFIPXVFZSA-N 1 1 498.716 4.811 20 0 JJADMO CC(C)Cc1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1CCc1cc(F)cc(F)c1 ZINC001359848736 1064534974 /nfs/dbraw/zinc/53/49/74/1064534974.db2.gz BXFMRSZJSRHWOS-GOSISDBHSA-N 1 1 459.610 4.942 20 0 JJADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)[C@@H](C)C1 ZINC001435131309 1064535993 /nfs/dbraw/zinc/53/59/93/1064535993.db2.gz DRQLQOZINICACN-FUHWJXTLSA-N 1 1 454.537 4.503 20 0 JJADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)[C@H](C)C1 ZINC001435131308 1064536309 /nfs/dbraw/zinc/53/63/09/1064536309.db2.gz DRQLQOZINICACN-AEFFLSMTSA-N 1 1 454.537 4.503 20 0 JJADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC2)[C@@H](C)C1 ZINC001435134462 1064538558 /nfs/dbraw/zinc/53/85/58/1064538558.db2.gz OZSIEDKFLJKZLP-MBSDFSHPSA-N 1 1 459.034 4.578 20 0 JJADMO CC(C)Cc1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001359861105 1064550874 /nfs/dbraw/zinc/55/08/74/1064550874.db2.gz MREOSAQPLONHHJ-NFBKMPQASA-N 1 1 459.704 4.702 20 0 JJADMO CC(C)Cc1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001359864007 1064553607 /nfs/dbraw/zinc/55/36/07/1064553607.db2.gz CSLMANJWCZWQRN-PZJWPPBQSA-N 1 1 453.528 4.772 20 0 JJADMO CC(C)Cc1nnc(N2CCS[C@@H](C(C)C)C2)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001359872349 1064563680 /nfs/dbraw/zinc/56/36/80/1064563680.db2.gz BUCTZDQBBGVGKC-IRFCIJBXSA-N 1 1 465.708 4.729 20 0 JJADMO CC(C)Cc1nnc(N2CCS[C@@H](C(C)C)C2)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001359872349 1064563690 /nfs/dbraw/zinc/56/36/90/1064563690.db2.gz BUCTZDQBBGVGKC-IRFCIJBXSA-N 1 1 465.708 4.729 20 0 JJADMO CC(C)C[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001359877953 1064568187 /nfs/dbraw/zinc/56/81/87/1064568187.db2.gz FGZLDPUMIYZFKB-IBGZPJMESA-N 1 1 490.490 4.691 20 0 JJADMO Cc1onc(-c2cccc(Br)c2)c1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001435186063 1064575204 /nfs/dbraw/zinc/57/52/04/1064575204.db2.gz SWDAQWDJAPBFIS-MRXNPFEDSA-N 1 1 454.368 4.759 20 0 JJADMO Cc1onc(-c2cccc(Br)c2)c1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001435186063 1064575219 /nfs/dbraw/zinc/57/52/19/1064575219.db2.gz SWDAQWDJAPBFIS-MRXNPFEDSA-N 1 1 454.368 4.759 20 0 JJADMO Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001435194476 1064582948 /nfs/dbraw/zinc/58/29/48/1064582948.db2.gz KSXWAVWZTKQRQL-RUZDIDTESA-N 1 1 450.583 4.788 20 0 JJADMO Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001435194476 1064582961 /nfs/dbraw/zinc/58/29/61/1064582961.db2.gz KSXWAVWZTKQRQL-RUZDIDTESA-N 1 1 450.583 4.788 20 0 JJADMO CC(C)CC[C@](C)(O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001359888600 1064585904 /nfs/dbraw/zinc/58/59/04/1064585904.db2.gz GMNDBXISCBKCHJ-BTYSJIOQSA-N 1 1 497.728 4.588 20 0 JJADMO C[C@H]1C[NH+](Cc2ccc(C(=O)NCC3(c4cccc(Br)c4)CC3)cc2)C[C@H](C)O1 ZINC001435200473 1064587566 /nfs/dbraw/zinc/58/75/66/1064587566.db2.gz WGITWVPUDYLNLC-ROUUACIJSA-N 1 1 457.412 4.520 20 0 JJADMO CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001359891856 1064593081 /nfs/dbraw/zinc/59/30/81/1064593081.db2.gz YGMXTRAYUYJHFO-VWLOTQADSA-N 1 1 477.097 4.737 20 0 JJADMO CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001359895027 1064596704 /nfs/dbraw/zinc/59/67/04/1064596704.db2.gz WBCHVDDNTGDARA-VBOOUTDYSA-N 1 1 483.701 4.808 20 0 JJADMO CC(C)CC[C@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001359896193 1064598482 /nfs/dbraw/zinc/59/84/82/1064598482.db2.gz NWOFTOVGUUEVDR-GIGWZHCTSA-N 1 1 490.696 4.552 20 0 JJADMO CC(C)CC[C@@](C)(O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001359899678 1064607092 /nfs/dbraw/zinc/60/70/92/1064607092.db2.gz QLKQNEKBZZWUCE-VHFRWLAGSA-N 1 1 477.738 4.695 20 0 JJADMO CC(C)CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001359901751 1064611301 /nfs/dbraw/zinc/61/13/01/1064611301.db2.gz BXCFZUZFHDRIJB-DYESRHJHSA-N 1 1 466.457 4.845 20 0 JJADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)[C@@H](C)C1 ZINC001435249711 1064626513 /nfs/dbraw/zinc/62/65/13/1064626513.db2.gz XVTFTPCPHZPQSH-KKSFZXQISA-N 1 1 458.400 4.504 20 0 JJADMO C[C@H](NC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435250782 1064627685 /nfs/dbraw/zinc/62/76/85/1064627685.db2.gz DAZFSYULOHSQQF-SBUREZEXSA-N 1 1 458.480 4.985 20 0 JJADMO C[C@H](NC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435250782 1064627690 /nfs/dbraw/zinc/62/76/90/1064627690.db2.gz DAZFSYULOHSQQF-SBUREZEXSA-N 1 1 458.480 4.985 20 0 JJADMO CC(C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001359911659 1064628328 /nfs/dbraw/zinc/62/83/28/1064628328.db2.gz CVMOZYXFNJJEMS-SZPZYZBQSA-N 1 1 488.721 4.940 20 0 JJADMO C[C@@H](NC(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435253581 1064630335 /nfs/dbraw/zinc/63/03/35/1064630335.db2.gz KYPKOVBXBGTWSF-MZNJEOGPSA-N 1 1 454.492 4.790 20 0 JJADMO C[C@@H](NC(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435253581 1064630344 /nfs/dbraw/zinc/63/03/44/1064630344.db2.gz KYPKOVBXBGTWSF-MZNJEOGPSA-N 1 1 454.492 4.790 20 0 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CC(C)CCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@@]2(C1)C[N@H+](Cc1ccccc1)CCO2 ZINC001359968117 1064743903 /nfs/dbraw/zinc/74/39/03/1064743903.db2.gz LLGFYWBLFAWBSU-LJAQVGFWSA-N 1 1 497.728 4.801 20 0 JJADMO CC(C)CCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@@]2(C1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001359968117 1064743917 /nfs/dbraw/zinc/74/39/17/1064743917.db2.gz LLGFYWBLFAWBSU-LJAQVGFWSA-N 1 1 497.728 4.801 20 0 JJADMO CC(C)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001359970811 1064747122 /nfs/dbraw/zinc/74/71/22/1064747122.db2.gz FJUSFYWVVVPRDV-MRXNPFEDSA-N 1 1 451.457 4.638 20 0 JJADMO CC(C)CN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001359973458 1064751209 /nfs/dbraw/zinc/75/12/09/1064751209.db2.gz SOUVBTXZVDIJJT-INIZCTEOSA-N 1 1 454.482 4.982 20 0 JJADMO CN(C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001435448903 1064763490 /nfs/dbraw/zinc/76/34/90/1064763490.db2.gz GQTBYPCHOGSXTD-IBGZPJMESA-N 1 1 457.496 4.913 20 0 JJADMO 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CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(F)(F)C2)C1 ZINC001360008205 1064796468 /nfs/dbraw/zinc/79/64/68/1064796468.db2.gz MYPOLLUNFPHBSV-MOPGFXCFSA-N 1 1 465.564 4.771 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2ccoc2)C1 ZINC001360008335 1064797385 /nfs/dbraw/zinc/79/73/85/1064797385.db2.gz PNRGWSPGMSSKBP-GOSISDBHSA-N 1 1 489.462 4.644 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(C(C)C)nnc2N2CCC[C@@H](c3noc(C(C)C)n3)C2)C1 ZINC001360008327 1064797558 /nfs/dbraw/zinc/79/75/58/1064797558.db2.gz PLAITASXSNUNNO-LEWJYISDSA-N 1 1 457.667 4.660 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)CC(=O)NC(C)C)C1 ZINC001360008566 1064798011 /nfs/dbraw/zinc/79/80/11/1064798011.db2.gz TWNZHEGRMSNKMW-QFIPXVFZSA-N 1 1 482.717 4.571 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)C1 ZINC001360010001 1064800991 /nfs/dbraw/zinc/80/09/91/1064800991.db2.gz IRULBMSZAUGPAW-UYAOXDASSA-N 1 1 479.591 4.594 20 0 JJADMO 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CC(C)[N@@H+](C)CCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1ccc(Cl)s1 ZINC001360097712 1064976602 /nfs/dbraw/zinc/97/66/02/1064976602.db2.gz QVMAGZNRAQVJJG-UHFFFAOYSA-N 1 1 476.046 4.798 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CCOC(C)(C)C ZINC001360097913 1064976641 /nfs/dbraw/zinc/97/66/41/1064976641.db2.gz UZISKZUNPVAADQ-UHFFFAOYSA-N 1 1 484.458 4.828 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCOC(C)(C)[C@H]1C ZINC001360097700 1064976677 /nfs/dbraw/zinc/97/66/77/1064976677.db2.gz QMONSAWKUPXBMV-MRXNPFEDSA-N 1 1 454.446 4.986 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1 ZINC001360097795 1064976693 /nfs/dbraw/zinc/97/66/93/1064976693.db2.gz RRZGENFHWAFSQU-UHFFFAOYSA-N 1 1 486.045 4.676 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001360097963 1064977359 /nfs/dbraw/zinc/97/73/59/1064977359.db2.gz WNYRVWDUHUDHIS-DHIUTWEWSA-N 1 1 453.675 4.836 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](OCC2CC2)C1 ZINC001360098262 1064978075 /nfs/dbraw/zinc/97/80/75/1064978075.db2.gz MKSDRJOOCZDPMR-HXUWFJFHSA-N 1 1 490.490 4.833 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccccn2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 ZINC001360098498 1064978254 /nfs/dbraw/zinc/97/82/54/1064978254.db2.gz UZCBFAHGILJLKA-NRFANRHFSA-N 1 1 489.437 4.980 20 0 JJADMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)C1 ZINC001360099820 1064978707 /nfs/dbraw/zinc/97/87/07/1064978707.db2.gz QGLIKYLTRCLLQM-OAQYLSRUSA-N 1 1 453.345 4.792 20 0 JJADMO CC(C)n1nc(-c2nnc(N(C)CC3CCCC3)n2CCC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001360099659 1064978806 /nfs/dbraw/zinc/97/88/06/1064978806.db2.gz AORLSQBFGWPLID-UHFFFAOYSA-N 1 1 479.673 4.593 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(C2CCC2)nnc1N1CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 ZINC001360100100 1064979421 /nfs/dbraw/zinc/97/94/21/1064979421.db2.gz HEIIMVGFZBOCSL-FQEVSTJZSA-N 1 1 498.663 4.747 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC001360101225 1064980654 /nfs/dbraw/zinc/98/06/54/1064980654.db2.gz ITPSOWOARRWJFP-PKTZIBPZSA-N 1 1 474.093 4.896 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(CC(C)(C)C)nnc1N1CCC2(Cc3ccccc3C2=O)CC1 ZINC001360101346 1064980885 /nfs/dbraw/zinc/98/08/85/1064980885.db2.gz LRSWFXYLGOQLDH-UHFFFAOYSA-N 1 1 451.659 4.623 20 0 JJADMO CC(C)[N@H+](C)CCCn1c(Cc2ccsc2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 ZINC001360101550 1064981781 /nfs/dbraw/zinc/98/17/81/1064981781.db2.gz SSWYURYTGWUGEH-UHFFFAOYSA-N 1 1 484.689 4.512 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccsc2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 ZINC001360101550 1064981789 /nfs/dbraw/zinc/98/17/89/1064981789.db2.gz SSWYURYTGWUGEH-UHFFFAOYSA-N 1 1 484.689 4.512 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001360101667 1064981838 /nfs/dbraw/zinc/98/18/38/1064981838.db2.gz WTKLSROWYFMZDY-JOCHJYFZSA-N 1 1 466.674 4.864 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccsc2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC001360101626 1064981929 /nfs/dbraw/zinc/98/19/29/1064981929.db2.gz VHDFGJIKXZDZSY-OAQYLSRUSA-N 1 1 455.647 4.869 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 ZINC001360103192 1064982587 /nfs/dbraw/zinc/98/25/87/1064982587.db2.gz BPBIMFSLXIJPMG-LJQANCHMSA-N 1 1 488.105 4.682 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(COc2ccc(Cl)cc2)nnc1N1CCSC(C)(C)C1 ZINC001360103338 1064983079 /nfs/dbraw/zinc/98/30/79/1064983079.db2.gz IFDXDENCFOBQMM-UHFFFAOYSA-N 1 1 452.068 4.573 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1Cc2ccccc2C1 ZINC001360103241 1064983192 /nfs/dbraw/zinc/98/31/92/1064983192.db2.gz DEUNXIJCAIXZLK-QFIPXVFZSA-N 1 1 468.646 4.601 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1c1ccco1 ZINC001360103498 1064983396 /nfs/dbraw/zinc/98/33/96/1064983396.db2.gz NQQKORCAIVCRLP-QHAWAJNXSA-N 1 1 486.661 4.714 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(Cl)s1 ZINC001360103935 1064984236 /nfs/dbraw/zinc/98/42/36/1064984236.db2.gz DPUFMZZVJHZHBL-UHFFFAOYSA-N 1 1 471.856 4.727 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CCc2sccc2C1 ZINC001360104264 1064985821 /nfs/dbraw/zinc/98/58/21/1064985821.db2.gz OPMPDGKFDJSZOC-UHFFFAOYSA-N 1 1 460.445 4.672 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1Cc1cccs1 ZINC001360104554 1064985936 /nfs/dbraw/zinc/98/59/36/1064985936.db2.gz TXNSKMIOGMMYFY-SFHVURJKSA-N 1 1 491.503 4.659 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@@H]1CCCOC1 ZINC001360104577 1064986010 /nfs/dbraw/zinc/98/60/10/1064986010.db2.gz ULMVMCABTUHIOT-INIZCTEOSA-N 1 1 484.870 4.564 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCOC(C)(C)C1 ZINC001360106553 1064987773 /nfs/dbraw/zinc/98/77/73/1064987773.db2.gz IDJCBXCGOTVBLM-UHFFFAOYSA-N 1 1 457.619 4.768 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001360107041 1064989781 /nfs/dbraw/zinc/98/97/81/1064989781.db2.gz ZYRGSAOQLGUFAY-SFHVURJKSA-N 1 1 496.469 4.971 20 0 JJADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(Nc2ccccc2Cl)CC1 ZINC001360109344 1064990915 /nfs/dbraw/zinc/99/09/15/1064990915.db2.gz BGZXNJFNAMKQEN-QFIPXVFZSA-N 1 1 461.054 4.594 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC001360110342 1064991489 /nfs/dbraw/zinc/99/14/89/1064991489.db2.gz OFEPPQBCZRFUBI-HXUWFJFHSA-N 1 1 452.018 4.577 20 0 JJADMO CC(C)N(Cc1cccs1)c1nnc(Cc2ccccn2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360123083 1065013319 /nfs/dbraw/zinc/01/33/19/1065013319.db2.gz BWPZXWMQLAMFKU-UHFFFAOYSA-N 1 1 452.672 4.862 20 0 JJADMO CCCN(C(=O)c1nc(C(C)C)ncc1Br)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001360129092 1065024456 /nfs/dbraw/zinc/02/44/56/1065024456.db2.gz FLFYCTXXNXMBPJ-IBGZPJMESA-N 1 1 459.432 4.879 20 0 JJADMO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCCC2)c1 ZINC001360132877 1065027595 /nfs/dbraw/zinc/02/75/95/1065027595.db2.gz YKLXGWBKLHAMJC-DNQXCXABSA-N 1 1 457.659 4.939 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N(C)Cc2ncc(Cl)n2C)C1 ZINC001360138046 1065033693 /nfs/dbraw/zinc/03/36/93/1065033693.db2.gz ABTSAMHXTPOLHH-KRWDZBQOSA-N 1 1 476.456 4.742 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)C[C@@H]2CC=CCC2)C1 ZINC001360139149 1065035486 /nfs/dbraw/zinc/03/54/86/1065035486.db2.gz NWJJQLHZDFBAHZ-PKTZIBPZSA-N 1 1 499.103 4.774 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3c[nH]c4ccccc34)nnc2N(C)CCOC(C)(C)C)C1 ZINC001360139647 1065036172 /nfs/dbraw/zinc/03/61/72/1065036172.db2.gz SMCKJNYNXMISJP-HXUWFJFHSA-N 1 1 452.647 4.798 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3ccc(Br)s3)nnc2N(C)CCC(F)F)C1 ZINC001360139568 1065036255 /nfs/dbraw/zinc/03/62/55/1065036255.db2.gz RMUWZGVRDWSJDQ-CQSZACIVSA-N 1 1 476.435 4.981 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cccn3C)nnc2N(C)Cc2ccc(OC(F)F)cc2)C1 ZINC001360140184 1065036934 /nfs/dbraw/zinc/03/69/34/1065036934.db2.gz YXZDCODROHLALQ-FQEVSTJZSA-N 1 1 472.584 4.642 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCOC[C@@H]2C)C1 ZINC001360140180 1065037042 /nfs/dbraw/zinc/03/70/42/1065037042.db2.gz YQDQSARLRUAUIE-IRXDYDNUSA-N 1 1 452.430 4.597 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCOC(C)(C)[C@H]2C)C1 ZINC001360140702 1065038242 /nfs/dbraw/zinc/03/82/42/1065038242.db2.gz IZOJLGYBKPUWIG-CTNGQTDRSA-N 1 1 460.066 4.646 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(CCCc3ccccc3)nnc2N(C)Cc2ncc(Cl)n2C)C1 ZINC001360140606 1065038490 /nfs/dbraw/zinc/03/84/90/1065038490.db2.gz HKWXOHNVPPEESU-JOCHJYFZSA-N 1 1 484.092 4.597 20 0 JJADMO Cc1ccc(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)cc1NC(=O)c1ccccc1 ZINC001435875433 1065038397 /nfs/dbraw/zinc/03/83/97/1065038397.db2.gz IMFHZPWTIAIRAC-XMMPIXPASA-N 1 1 459.615 4.595 20 0 JJADMO Cc1ccc(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)cc1NC(=O)c1ccccc1 ZINC001435875433 1065038411 /nfs/dbraw/zinc/03/84/11/1065038411.db2.gz IMFHZPWTIAIRAC-XMMPIXPASA-N 1 1 459.615 4.595 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)c2ccccc2F)C1 ZINC001360140715 1065038777 /nfs/dbraw/zinc/03/87/77/1065038777.db2.gz JEVYVUJOTJILGO-IFMALSPDSA-N 1 1 450.606 4.721 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2cccc(OC(F)F)c2)C1 ZINC001360140842 1065038914 /nfs/dbraw/zinc/03/89/14/1065038914.db2.gz JPFNLLLLAADMSJ-RBBKRZOGSA-N 1 1 477.600 4.878 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(COc3ccccc3F)nnc2N(C)CC2CC(F)(F)C2)C1 ZINC001360141095 1065039808 /nfs/dbraw/zinc/03/98/08/1065039808.db2.gz MEMZBOKDFOYAPH-SFHVURJKSA-N 1 1 465.564 4.598 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)[C@H]2CCOC2)C1 ZINC001360141735 1065041082 /nfs/dbraw/zinc/04/10/82/1065041082.db2.gz RRLBSJIEIFIBAT-GGAORHGYSA-N 1 1 469.674 4.500 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)C1 ZINC001360142150 1065041606 /nfs/dbraw/zinc/04/16/06/1065041606.db2.gz UKLVHZKHSMCXTJ-FGZHOGPDSA-N 1 1 459.704 4.835 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(c3cc(F)ccc3F)CC2)C1 ZINC001360142512 1065043049 /nfs/dbraw/zinc/04/30/49/1065043049.db2.gz XYZOVUXEXJKUPB-FQEVSTJZSA-N 1 1 474.644 4.592 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001360143608 1065044366 /nfs/dbraw/zinc/04/43/66/1065044366.db2.gz JSTUBUJYCCESKL-QGZVFWFLSA-N 1 1 495.043 4.571 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCc2ccccc2)CC1 ZINC001360144049 1065045199 /nfs/dbraw/zinc/04/51/99/1065045199.db2.gz SGKLAUUTTSQSSI-UHFFFAOYSA-N 1 1 485.474 4.979 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@]2(O)CCC[C@@H]2C)CC1 ZINC001360144000 1065045518 /nfs/dbraw/zinc/04/55/18/1065045518.db2.gz QTJAITRPEKAAJO-SBUREZEXSA-N 1 1 466.457 4.724 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCN(C)CC(F)(F)F)CC1 ZINC001360144206 1065046180 /nfs/dbraw/zinc/04/61/80/1065046180.db2.gz WVQNEJSVKXQGJK-UHFFFAOYSA-N 1 1 490.977 4.542 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccccc3Br)n2Cc2ccncc2Cl)CC1 ZINC001360144511 1065046970 /nfs/dbraw/zinc/04/69/70/1065046970.db2.gz LLFLACVJYZTLQT-UHFFFAOYSA-N 1 1 489.849 4.725 20 0 JJADMO CC(C)[N@@H+]1CCCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2ccco2)N2CCCCC2)CC1 ZINC001360146742 1065048909 /nfs/dbraw/zinc/04/89/09/1065048909.db2.gz USRDAWYNSMVQAA-QFIPXVFZSA-N 1 1 456.679 4.607 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2ccco2)N2CCCCC2)CC1 ZINC001360146742 1065048925 /nfs/dbraw/zinc/04/89/25/1065048925.db2.gz USRDAWYNSMVQAA-QFIPXVFZSA-N 1 1 456.679 4.607 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2nc(C(C)(C)C)cs2)CC1 ZINC001360147113 1065049364 /nfs/dbraw/zinc/04/93/64/1065049364.db2.gz IOWBOLZHFFKOER-DENIHFKCSA-N 1 1 488.746 4.920 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2cc(F)cc(F)c2)CC1 ZINC001360147500 1065050284 /nfs/dbraw/zinc/05/02/84/1065050284.db2.gz YKNABXTWBXILND-DHIUTWEWSA-N 1 1 475.628 4.638 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2Cc2ccoc2)CC1 ZINC001360147412 1065050364 /nfs/dbraw/zinc/05/03/64/1065050364.db2.gz UWANDOFLWBIAAV-UHFFFAOYSA-N 1 1 464.397 4.726 20 0 JJADMO CC(C)N1CCN(c2nnc(-c3ccccc3Br)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001360150085 1065053874 /nfs/dbraw/zinc/05/38/74/1065053874.db2.gz PEFXBZLQQXTYER-HXUWFJFHSA-N 1 1 489.506 4.503 20 0 JJADMO CC(C)N1CCN(c2nnc(-c3ccccc3Br)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001360150085 1065053883 /nfs/dbraw/zinc/05/38/83/1065053883.db2.gz PEFXBZLQQXTYER-HXUWFJFHSA-N 1 1 489.506 4.503 20 0 JJADMO CC(C)N1CC[NH+](C2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3CCCCC(F)(F)C3)CC2)CC1 ZINC001360156227 1065057999 /nfs/dbraw/zinc/05/79/99/1065057999.db2.gz VDXOVXXPUOEMHS-OAQYLSRUSA-N 1 1 480.692 4.786 20 0 JJADMO CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2cccs2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001360163098 1065061904 /nfs/dbraw/zinc/06/19/04/1065061904.db2.gz ZFZQJXYTIJZIHC-LPHOPBHVSA-N 1 1 475.062 4.632 20 0 JJADMO CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)cc1 ZINC001435927436 1065067610 /nfs/dbraw/zinc/06/76/10/1065067610.db2.gz YIOLSIJNQKHPQJ-ZDUSSCGKSA-N 1 1 450.402 4.588 20 0 JJADMO C[NH+](C)[C@H](C(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)c1cccc(Cl)c1 ZINC001435935584 1065071338 /nfs/dbraw/zinc/07/13/38/1065071338.db2.gz YLNBHSSHHPMTGG-RPWUZVMVSA-N 1 1 450.966 4.586 20 0 JJADMO CC(C)NC(=O)c1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1C[C@@H]1CCCC1(C)C ZINC001360203479 1065079330 /nfs/dbraw/zinc/07/93/30/1065079330.db2.gz GTMWGGFYMVHZEB-GGAORHGYSA-N 1 1 472.722 4.724 20 0 JJADMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC001435995857 1065098609 /nfs/dbraw/zinc/09/86/09/1065098609.db2.gz WOBJSFZNGLNARQ-QHCPKHFHSA-N 1 1 458.444 4.936 20 0 JJADMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cnn(-c2ccccc2)c1Br ZINC001435994961 1065098834 /nfs/dbraw/zinc/09/88/34/1065098834.db2.gz NCIPJWBOXNILSH-NRFANRHFSA-N 1 1 455.400 4.521 20 0 JJADMO CC(C)NC(=O)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC[N@@H+](C)C1CCCCC1 ZINC001360273674 1065114221 /nfs/dbraw/zinc/11/42/21/1065114221.db2.gz AUSAFBXWBUYXGF-UHFFFAOYSA-N 1 1 495.499 4.867 20 0 JJADMO C[C@@H](NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1nc(C(F)(F)F)cs1 ZINC001436056767 1065149385 /nfs/dbraw/zinc/14/93/85/1065149385.db2.gz SSJVUGDFWVUBAJ-PXAZEXFGSA-N 1 1 451.436 4.794 20 0 JJADMO CC(C)O[C@]1(c2nnc(N(C)Cc3ccccc3Cl)n2CC[N@@H+](C)C2CCCCC2)CCOC1 ZINC001360325147 1065166314 /nfs/dbraw/zinc/16/63/14/1065166314.db2.gz YZARVXUDWQHVAT-AREMUKBSSA-N 1 1 490.092 4.873 20 0 JJADMO CC(C)O[C@]1(c2nnc(N3CC[C@@H](C(C)C)C3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CCOC1 ZINC001360335199 1065180695 /nfs/dbraw/zinc/18/06/95/1065180695.db2.gz ACUCZRCIXROECK-UVWWXKGLSA-N 1 1 490.092 4.757 20 0 JJADMO CCCc1c(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001436111092 1065186292 /nfs/dbraw/zinc/18/62/92/1065186292.db2.gz HPNNJPJFFSMDNS-QFIPXVFZSA-N 1 1 459.638 4.769 20 0 JJADMO CC(C)O[C@]1(c2nnc(N3CCC[N@H+](C(C)C)CC3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CCOC1 ZINC001360345756 1065195130 /nfs/dbraw/zinc/19/51/30/1065195130.db2.gz NJVHIXKLOLKOLQ-SXWKCWPCSA-N 1 1 487.611 4.533 20 0 JJADMO CC(C)O[C@@]1(c2nnc(N3CC[N@@H+](Cc4ccccc4)C[C@H]3C)n2CCCC(C)(C)C)CCOC1 ZINC001360348552 1065195763 /nfs/dbraw/zinc/19/57/63/1065195763.db2.gz YGOZQRZFTQKAGM-LXFBAYGMSA-N 1 1 483.701 4.856 20 0 JJADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2oc3c(cc(Br)cc3C)c2C)[C@@H](C)C1 ZINC001360358379 1065210490 /nfs/dbraw/zinc/21/04/90/1065210490.db2.gz DVNIQGXFULMPAZ-KXBFYZLASA-N 1 1 451.405 4.679 20 0 JJADMO CC(C)Oc1cccc(CN(C)c2nnc(-c3ccc[nH]3)n2CCC[N@H+]2CCCC[C@H]2C)c1 ZINC001360359653 1065211930 /nfs/dbraw/zinc/21/19/30/1065211930.db2.gz HKOFQEGTECGHQL-OAQYLSRUSA-N 1 1 450.631 4.961 20 0 JJADMO Cc1ccc(-c2csc3ncnc(SCC(=O)NC[C@@H]4[N@@H+](C)CCCC4(C)C)c23)cc1 ZINC001436155031 1065218844 /nfs/dbraw/zinc/21/88/44/1065218844.db2.gz BEQYYZNCIIALRG-IBGZPJMESA-N 1 1 454.665 4.995 20 0 JJADMO CC(C)OC[C@@H]1CN(c2nnc(C(C)(C)C)n2CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCO1 ZINC001360367350 1065226159 /nfs/dbraw/zinc/22/61/59/1065226159.db2.gz HERZQYQYALSWOD-HVCNVCAESA-N 1 1 483.701 4.507 20 0 JJADMO CC(C)OCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001360379864 1065240900 /nfs/dbraw/zinc/24/09/00/1065240900.db2.gz HKPUKMFLLUMVLM-UHFFFAOYSA-N 1 1 466.630 4.726 20 0 JJADMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 ZINC001436196009 1065243438 /nfs/dbraw/zinc/24/34/38/1065243438.db2.gz PKNYIAURJVDTPM-UHFFFAOYSA-N 1 1 455.002 4.982 20 0 JJADMO Cc1ccc2cc(Cl)cc(C(=O)Nc3ccc(C(=O)N(C)[C@@H]4CCC[N@@H+](C)C4)cc3)c2n1 ZINC001360387235 1065251720 /nfs/dbraw/zinc/25/17/20/1065251720.db2.gz DJRFKLJLUZADCC-OAQYLSRUSA-N 1 1 450.970 4.615 20 0 JJADMO CC(C)OCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001360396557 1065261130 /nfs/dbraw/zinc/26/11/30/1065261130.db2.gz KGRZQKLYHNPKKT-HXUWFJFHSA-N 1 1 476.065 4.951 20 0 JJADMO C[N@H+](CCC(F)(F)F)[C@@H](CNC(=O)[C@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001436230427 1065268563 /nfs/dbraw/zinc/26/85/63/1065268563.db2.gz RWMFGEFONNGBST-DSLXNQLJSA-N 1 1 489.966 4.637 20 0 JJADMO C[N@@H+](CCC(F)(F)F)[C@@H](CNC(=O)[C@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001436230427 1065268575 /nfs/dbraw/zinc/26/85/75/1065268575.db2.gz RWMFGEFONNGBST-DSLXNQLJSA-N 1 1 489.966 4.637 20 0 JJADMO CC(C)OCCn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001360406801 1065269243 /nfs/dbraw/zinc/26/92/43/1065269243.db2.gz XDPXQYPPMDDLTC-XUZZJYLKSA-N 1 1 467.683 4.845 20 0 JJADMO CC(C)OCC[NH+]1CCN(c2nnc(CC(C)(C)C)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001360410392 1065274633 /nfs/dbraw/zinc/27/46/33/1065274633.db2.gz MGUUDQSQMYYYNA-MOPGFXCFSA-N 1 1 459.601 4.707 20 0 JJADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCCC2(C)C)CC1 ZINC001360413386 1065276557 /nfs/dbraw/zinc/27/65/57/1065276557.db2.gz WZLVLRKCJUCTRB-QFIPXVFZSA-N 1 1 474.093 4.896 20 0 JJADMO C[C@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1ccccc1OCC1CC1 ZINC001436259925 1065278757 /nfs/dbraw/zinc/27/87/57/1065278757.db2.gz ZYJQZAFYMNJCMI-INIZCTEOSA-N 1 1 458.400 4.631 20 0 JJADMO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)CC1 ZINC001436263883 1065280051 /nfs/dbraw/zinc/28/00/51/1065280051.db2.gz JGSAHLWUILFHQF-JXMROGBWSA-N 1 1 457.416 4.545 20 0 JJADMO C[C@H]1CN(C(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001436279495 1065285566 /nfs/dbraw/zinc/28/55/66/1065285566.db2.gz MXHMLULOAZNTOT-LJQANCHMSA-N 1 1 456.512 4.544 20 0 JJADMO C[C@@H]1CN(C(=O)CN(Cc2ccco2)c2cccc(Cl)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001436282089 1065286268 /nfs/dbraw/zinc/28/62/68/1065286268.db2.gz YFBXFHUYPNZWTH-NRFANRHFSA-N 1 1 451.998 4.920 20 0 JJADMO Cc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)cc1NC(=O)c1ccccc1F ZINC001436281617 1065286480 /nfs/dbraw/zinc/28/64/80/1065286480.db2.gz VBZNJYMVIXSHAM-HXUWFJFHSA-N 1 1 459.565 4.981 20 0 JJADMO CC(C)SCCn1c(Cc2ccccn2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001360421932 1065287696 /nfs/dbraw/zinc/28/76/96/1065287696.db2.gz QBWHRVYVUSRRKZ-JOCHJYFZSA-N 1 1 470.731 4.886 20 0 JJADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3cnn(-c4cccc(C(F)(F)F)c4)c3)cc2)C[C@@H](C)O1 ZINC001360423487 1065291284 /nfs/dbraw/zinc/29/12/84/1065291284.db2.gz WYFZPASUHJRZFD-IAGOWNOFSA-N 1 1 458.484 4.753 20 0 JJADMO CC(C)SCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001360424783 1065293691 /nfs/dbraw/zinc/29/36/91/1065293691.db2.gz JLCMZBXPGKNYBD-NHCUHLMSSA-N 1 1 477.744 4.722 20 0 JJADMO CC(C)SCCn1c(COc2ccccc2F)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001360425168 1065294149 /nfs/dbraw/zinc/29/41/49/1065294149.db2.gz XOFNPIMHESDADS-UHFFFAOYSA-N 1 1 475.659 4.522 20 0 JJADMO CC(C)[C@@H]1C[C@H]1n1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001360425566 1065295310 /nfs/dbraw/zinc/29/53/10/1065295310.db2.gz LFTODBPVQZWBTE-FDFHNCONSA-N 1 1 474.694 4.530 20 0 JJADMO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(CC2CCCC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001360428120 1065299979 /nfs/dbraw/zinc/29/99/79/1065299979.db2.gz CQVSGIWAWPASHC-SFHVURJKSA-N 1 1 461.601 4.597 20 0 JJADMO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(CC2CCCC2)n1CC[N@H+]1CCOCC1(C)C ZINC001360428120 1065299989 /nfs/dbraw/zinc/29/99/89/1065299989.db2.gz CQVSGIWAWPASHC-SFHVURJKSA-N 1 1 461.601 4.597 20 0 JJADMO C[C@H](c1cc(F)ccc1F)N(C)c1nnc([C@H]2CCCOC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001360429369 1065303537 /nfs/dbraw/zinc/30/35/37/1065303537.db2.gz UWXLGLWDBYDKRJ-MOPGFXCFSA-N 1 1 461.601 4.912 20 0 JJADMO CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)N1CC[N@@H+](CCCc2ccccc2)C[C@H]1CC(C)C ZINC001436432387 1065318045 /nfs/dbraw/zinc/31/80/45/1065318045.db2.gz SCNTUVRAVXKLTR-LADGPHEKSA-N 1 1 459.675 4.824 20 0 JJADMO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001360439384 1065321577 /nfs/dbraw/zinc/32/15/77/1065321577.db2.gz IWASLXCTBVUXRN-SMWWQBHQSA-N 1 1 494.709 4.930 20 0 JJADMO C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001360439383 1065321610 /nfs/dbraw/zinc/32/16/10/1065321610.db2.gz IWASLXCTBVUXRN-QGFSVNGOSA-N 1 1 494.709 4.930 20 0 JJADMO COC(=O)c1ccc2c(c1)CCC[C@H]2OC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC001436464637 1065324997 /nfs/dbraw/zinc/32/49/97/1065324997.db2.gz FQCYNYXGFBSFCP-KBMIEXCESA-N 1 1 451.563 4.961 20 0 JJADMO C[C@H](c1ccco1)N(C)c1nnc(-c2ccc(Br)s2)n1CC[N@@H+]1CCOCC1(C)C ZINC001360454127 1065349919 /nfs/dbraw/zinc/34/99/19/1065349919.db2.gz DFSYQRPKEARKJA-OAHLLOKOSA-N 1 1 494.459 4.670 20 0 JJADMO C[C@H](c1ccco1)N(C)c1nnc(-c2ccc(Br)s2)n1CC[N@H+]1CCOCC1(C)C ZINC001360454127 1065349930 /nfs/dbraw/zinc/34/99/30/1065349930.db2.gz DFSYQRPKEARKJA-OAHLLOKOSA-N 1 1 494.459 4.670 20 0 JJADMO C[C@H](c1ccco1)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC[N@@H+]1CCOCC1(C)C ZINC001360454073 1065350071 /nfs/dbraw/zinc/35/00/71/1065350071.db2.gz BZSHFJYZHVMSTE-MRXNPFEDSA-N 1 1 461.969 4.639 20 0 JJADMO C[C@H](c1ccco1)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC[N@H+]1CCOCC1(C)C ZINC001360454073 1065350082 /nfs/dbraw/zinc/35/00/82/1065350082.db2.gz BZSHFJYZHVMSTE-MRXNPFEDSA-N 1 1 461.969 4.639 20 0 JJADMO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cc(C)c(F)cc2C(=O)NCC(F)(F)F)cc1 ZINC001436550470 1065356217 /nfs/dbraw/zinc/35/62/17/1065356217.db2.gz SJRDWNBKHUBERZ-UHFFFAOYSA-N 1 1 453.480 4.910 20 0 JJADMO C[C@H](c1cccs1)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001360460803 1065363861 /nfs/dbraw/zinc/36/38/61/1065363861.db2.gz HRGGNDLPKXFPCY-AEFFLSMTSA-N 1 1 481.651 4.549 20 0 JJADMO C[C@@H](c1cccs1)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001360460806 1065363945 /nfs/dbraw/zinc/36/39/45/1065363945.db2.gz HRGGNDLPKXFPCY-WMZOPIPTSA-N 1 1 481.651 4.549 20 0 JJADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC001436564212 1065365924 /nfs/dbraw/zinc/36/59/24/1065365924.db2.gz HQRCZMQWMMZGNW-HXUWFJFHSA-N 1 1 455.558 4.864 20 0 JJADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(-c3ccccc3)n2CCCN(C)CC(F)(F)F)CC1 ZINC001360467739 1065382397 /nfs/dbraw/zinc/38/23/97/1065382397.db2.gz YTPCHIZBHILWSQ-LJQANCHMSA-N 1 1 492.615 4.774 20 0 JJADMO O=C(Cc1c[nH]c2cccc(Br)c12)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001436596286 1065390652 /nfs/dbraw/zinc/39/06/52/1065390652.db2.gz CBUTYXNTQHTMKI-IBGZPJMESA-N 1 1 454.412 4.891 20 0 JJADMO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)c(Br)n1 ZINC001436630596 1065407304 /nfs/dbraw/zinc/40/73/04/1065407304.db2.gz AQPKAIBFRTWOTC-FCHUYYIVSA-N 1 1 468.370 4.690 20 0 JJADMO CO[C@](C)(C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccccc1F ZINC001436630734 1065408091 /nfs/dbraw/zinc/40/80/91/1065408091.db2.gz CNPMPFDSKCTRQA-RWUBSVTLSA-N 1 1 450.529 4.611 20 0 JJADMO CC(C)(C)OC(=O)NC1(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)CCC1 ZINC001436630695 1065408318 /nfs/dbraw/zinc/40/83/18/1065408318.db2.gz CCJBQGRYWQNFFR-BJKOFHAPSA-N 1 1 481.612 4.747 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)Cc2cccs2)CC1 ZINC001360500752 1065423179 /nfs/dbraw/zinc/42/31/79/1065423179.db2.gz OITLLSMMTKMHMC-FQEVSTJZSA-N 1 1 471.646 4.857 20 0 JJADMO Cc1onc(-c2cccc(Br)c2)c1C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001436725624 1065430318 /nfs/dbraw/zinc/43/03/18/1065430318.db2.gz KGCMPPMTVIHFCY-INIZCTEOSA-N 1 1 454.368 4.759 20 0 JJADMO Cc1onc(-c2cccc(Br)c2)c1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001436725624 1065430329 /nfs/dbraw/zinc/43/03/29/1065430329.db2.gz KGCMPPMTVIHFCY-INIZCTEOSA-N 1 1 454.368 4.759 20 0 JJADMO C[C@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360504960 1065438324 /nfs/dbraw/zinc/43/83/24/1065438324.db2.gz FSGSBBVVVSGSKA-GGAORHGYSA-N 1 1 489.668 4.708 20 0 JJADMO C[C@H](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC001360505488 1065440701 /nfs/dbraw/zinc/44/07/01/1065440701.db2.gz PFXHGNLVAYPODR-QZTJIDSGSA-N 1 1 471.447 4.935 20 0 JJADMO C[C@@H](CCn1c(C2CCCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360509417 1065449784 /nfs/dbraw/zinc/44/97/84/1065449784.db2.gz RQNNSLBPIHYQJP-URXFXBBRSA-N 1 1 496.700 4.950 20 0 JJADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)/C(=C/c1ccc(OC)cc1)c1cccs1 ZINC001436843169 1065450291 /nfs/dbraw/zinc/45/02/91/1065450291.db2.gz GTHISDQZRYWNEP-CKLPJJMUSA-N 1 1 476.642 4.951 20 0 JJADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cnn(-c2ccc(C)cc2)c1C(C)C ZINC001436841628 1065450418 /nfs/dbraw/zinc/45/04/18/1065450418.db2.gz BFLDXWZPFPMPCA-ZEQKJWHPSA-N 1 1 460.622 4.571 20 0 JJADMO C[C@@H](CCn1c(C2CC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360509673 1065450557 /nfs/dbraw/zinc/45/05/57/1065450557.db2.gz WNJSITUJEVJWFM-REWPJTCUSA-N 1 1 482.673 4.560 20 0 JJADMO C[C@@H](CCn1c(Cc2ccncc2)nnc1N1CCC(C(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC001360509996 1065451480 /nfs/dbraw/zinc/45/14/80/1065451480.db2.gz BUUOOINHKRCWHW-FQEVSTJZSA-N 1 1 486.586 4.953 20 0 JJADMO CCN1CC[NH+](CC(C)(C)NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC001436843918 1065451565 /nfs/dbraw/zinc/45/15/65/1065451565.db2.gz ZCRWJUJBNBXNOR-UHFFFAOYSA-N 1 1 451.014 4.701 20 0 JJADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 ZINC001436848474 1065452485 /nfs/dbraw/zinc/45/24/85/1065452485.db2.gz UHHUGQOJVAWYSF-XNMGPUDCSA-N 1 1 471.601 4.514 20 0 JJADMO C[C@H](CCn1c(N2CCC(OC[C@H]3CCOC3)CC2)nnc1C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001360510227 1065452464 /nfs/dbraw/zinc/45/24/64/1065452464.db2.gz GQPPPDUZVFJGDQ-VWNXMTODSA-N 1 1 483.701 4.508 20 0 JJADMO C[C@H](CCn1c(Cc2ccncc2)nnc1N1CCC(OC(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001360510166 1065452530 /nfs/dbraw/zinc/45/25/30/1065452530.db2.gz FMEZLLZDRWDJEB-HSZRJFAPSA-N 1 1 490.696 4.958 20 0 JJADMO C[C@@H](CCn1c(CC2CCCC2)nnc1N1CCN(CC(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC001360510610 1065454641 /nfs/dbraw/zinc/45/46/41/1065454641.db2.gz OIPHSBFZEJSYFA-NRFANRHFSA-N 1 1 492.634 4.606 20 0 JJADMO C[C@@H](CCn1c(CC(C)(C)C)nnc1N1CCSC2(CCOCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC001360511147 1065455520 /nfs/dbraw/zinc/45/55/20/1065455520.db2.gz UFUQXQWTTAITJC-QFIPXVFZSA-N 1 1 485.742 4.880 20 0 JJADMO Cc1cc(Br)c(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)cc1Br ZINC001436935309 1065475570 /nfs/dbraw/zinc/47/55/70/1065475570.db2.gz JXWOOUPYSSHWGE-UZLBHIALSA-N 1 1 478.228 4.867 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@H](COCc3ccccc3)c3ccccc3)cc2)C[C@H](C)O1 ZINC001360522417 1065497581 /nfs/dbraw/zinc/49/75/81/1065497581.db2.gz DKRBLLOJVTXZDI-AWVRMFGXSA-N 1 1 458.602 4.984 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@H](COCc3ccccc3)c3ccccc3)cc2)C[C@H](C)O1 ZINC001360522417 1065497590 /nfs/dbraw/zinc/49/75/90/1065497590.db2.gz DKRBLLOJVTXZDI-AWVRMFGXSA-N 1 1 458.602 4.984 20 0 JJADMO C[C@@H](CN(C)c1nnc(Cc2ccsc2)n1CCC[N@H+]1CCCC[C@H]1C)c1nccs1 ZINC001360526736 1065506122 /nfs/dbraw/zinc/50/61/22/1065506122.db2.gz SCBATXKYPAZMJE-RBUKOAKNSA-N 1 1 458.701 4.891 20 0 JJADMO C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC001360535073 1065516225 /nfs/dbraw/zinc/51/62/25/1065516225.db2.gz KTZGKYGQGMPFPF-OAHLLOKOSA-N 1 1 499.379 4.565 20 0 JJADMO C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC(OC(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001360535795 1065518079 /nfs/dbraw/zinc/51/80/79/1065518079.db2.gz QWKCNAIZRULRMA-KRWDZBQOSA-N 1 1 490.490 4.974 20 0 JJADMO C[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC=C(C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001360540641 1065525520 /nfs/dbraw/zinc/52/55/20/1065525520.db2.gz HRJVEDKXAXJBLE-AWEZNQCLSA-N 1 1 490.357 4.671 20 0 JJADMO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001437278213 1065529044 /nfs/dbraw/zinc/52/90/44/1065529044.db2.gz OXTCZSYWZQOFIJ-YCRPNKLZSA-N 1 1 451.792 4.651 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2Cc2ccccc2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001545906179 1065535597 /nfs/dbraw/zinc/53/55/97/1065535597.db2.gz SOAIQWTXCATKJH-RCZVLFRGSA-N 1 1 494.728 4.919 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2Cc2ccccc2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001545906178 1065535818 /nfs/dbraw/zinc/53/58/18/1065535818.db2.gz SOAIQWTXCATKJH-DHLKQENFSA-N 1 1 494.728 4.919 20 0 JJADMO C[C@H](Cn1c(C2CCCC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC001360559841 1065549743 /nfs/dbraw/zinc/54/97/43/1065549743.db2.gz NSXUORLCQNAWBU-GOSISDBHSA-N 1 1 489.590 4.845 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)c2ccc(F)cc2)CC1 ZINC001360563984 1065554320 /nfs/dbraw/zinc/55/43/20/1065554320.db2.gz NFKSNWKZNUGYOJ-NFBKMPQASA-N 1 1 457.638 4.672 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)c2ccc(F)cc2)CC1 ZINC001360563988 1065554565 /nfs/dbraw/zinc/55/45/65/1065554565.db2.gz NFKSNWKZNUGYOJ-OFNKIYASSA-N 1 1 457.638 4.672 20 0 JJADMO C[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1ccc(Br)o1)[N@@H+](C)C1CC1 ZINC001360568542 1065560800 /nfs/dbraw/zinc/56/08/00/1065560800.db2.gz DWMXZJHUHANVHV-OAHLLOKOSA-N 1 1 492.849 4.997 20 0 JJADMO C[C@H](Cn1c(CC(C)(C)C)nnc1N(Cc1ccccc1)CC1CCOCC1)[N@@H+](C)C1CC1 ZINC001360569089 1065561261 /nfs/dbraw/zinc/56/12/61/1065561261.db2.gz GGYSXRLJQSPGFG-OAQYLSRUSA-N 1 1 453.675 4.783 20 0 JJADMO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(I)cc2F)c1 ZINC001437489167 1065561858 /nfs/dbraw/zinc/56/18/58/1065561858.db2.gz QSWCISKVBRWBPU-IBGZPJMESA-N 1 1 452.311 4.732 20 0 JJADMO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc(I)cc2F)c1 ZINC001437489167 1065561867 /nfs/dbraw/zinc/56/18/67/1065561867.db2.gz QSWCISKVBRWBPU-IBGZPJMESA-N 1 1 452.311 4.732 20 0 JJADMO CNC(=O)Oc1cccc(OC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)c1 ZINC001437502921 1065563696 /nfs/dbraw/zinc/56/36/96/1065563696.db2.gz LTWLYLTZYWTTNJ-BJKOFHAPSA-N 1 1 464.949 4.879 20 0 JJADMO CC[C@]1(C(=O)Nc2nc3ccc(C[N@@H+](C)C4CC4)cc3s2)CCN(C(=O)OC(C)(C)C)C1 ZINC001437551839 1065572099 /nfs/dbraw/zinc/57/20/99/1065572099.db2.gz HPVMNCXLMRLGTO-DEOSSOPVSA-N 1 1 458.628 4.866 20 0 JJADMO COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC001437553427 1065573020 /nfs/dbraw/zinc/57/30/20/1065573020.db2.gz KZZNYJVUMFORPI-CQSZACIVSA-N 1 1 455.605 4.796 20 0 JJADMO C[C@@H](Cn1c(COc2ccc(Br)cc2)nnc1N1CCC(C)(C)CC1)[N@@H+](C)C1CC1 ZINC001360584297 1065583617 /nfs/dbraw/zinc/58/36/17/1065583617.db2.gz UYMXUEJJQVJYEK-KRWDZBQOSA-N 1 1 476.463 4.729 20 0 JJADMO C[C@H](Cn1c(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nnc1C(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001360588355 1065592324 /nfs/dbraw/zinc/59/23/24/1065592324.db2.gz ZRIOZQPJXGOBPG-NHCUHLMSSA-N 1 1 484.689 4.542 20 0 JJADMO CC(C)[C@@H]1CN(C(=O)CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001437721177 1065595657 /nfs/dbraw/zinc/59/56/57/1065595657.db2.gz BHTMSIVBWIIIHE-RPWUZVMVSA-N 1 1 457.659 4.783 20 0 JJADMO CC(C)[C@H]1CN(C(=O)CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001437721173 1065595885 /nfs/dbraw/zinc/59/58/85/1065595885.db2.gz BHTMSIVBWIIIHE-DNQXCXABSA-N 1 1 457.659 4.783 20 0 JJADMO C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H](C)C1CCCCC1)C[NH+]1CCOCC1 ZINC001360607679 1065634404 /nfs/dbraw/zinc/63/44/04/1065634404.db2.gz ZTMCVUNTHOHZPW-UXHICEINSA-N 1 1 475.628 4.520 20 0 JJADMO CC(F)(F)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001360630752 1065678935 /nfs/dbraw/zinc/67/89/35/1065678935.db2.gz WOIGLSRCQYIARK-WOJBJXKFSA-N 1 1 453.622 4.697 20 0 JJADMO CC(F)(F)CCn1c(CCCc2ccccc2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001360630682 1065678991 /nfs/dbraw/zinc/67/89/91/1065678991.db2.gz UURKIKWUKVEYIY-UHFFFAOYSA-N 1 1 459.610 4.882 20 0 JJADMO C[C@@H](N1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[N@@H+](C)C2CCCC2)CC1)C(F)(F)F ZINC001360633021 1065686476 /nfs/dbraw/zinc/68/64/76/1065686476.db2.gz XQFUZXCFQCJWNR-QGZVFWFLSA-N 1 1 484.998 4.546 20 0 JJADMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CCc2nc3cc(Br)ccc3s2)CC1 ZINC001438200602 1065693565 /nfs/dbraw/zinc/69/35/65/1065693565.db2.gz VVEYTBCCQVODJZ-INIZCTEOSA-N 1 1 458.425 4.897 20 0 JJADMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(C3CC3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001360636878 1065695994 /nfs/dbraw/zinc/69/59/94/1065695994.db2.gz NCFLNJIYUZOLPL-CTNGQTDRSA-N 1 1 474.694 4.550 20 0 JJADMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001360636919 1065696714 /nfs/dbraw/zinc/69/67/14/1065696714.db2.gz NQPFSTVSFLXJKB-FDFHNCONSA-N 1 1 490.737 4.970 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C ZINC001438263397 1065704398 /nfs/dbraw/zinc/70/43/98/1065704398.db2.gz QRGTWFFTFDPEOC-ZYZLCCBESA-N 1 1 469.670 4.827 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(CC2CCCC2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360639001 1065706311 /nfs/dbraw/zinc/70/63/11/1065706311.db2.gz MCPMQDFFMLBBEM-GMAHTHKFSA-N 1 1 490.737 4.871 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)CSc2ccccc2OC)cc1 ZINC001438343649 1065713402 /nfs/dbraw/zinc/71/34/02/1065713402.db2.gz WMKINLDFJNXCAV-BJKOFHAPSA-N 1 1 462.615 4.580 20 0 JJADMO Cc1c(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001438347036 1065714169 /nfs/dbraw/zinc/71/41/69/1065714169.db2.gz VMLVJKMIPVVHPI-XLIONFOSSA-N 1 1 456.512 4.697 20 0 JJADMO O=C(CN(C(=O)c1ccccc1)c1ccccc1)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001438363251 1065717135 /nfs/dbraw/zinc/71/71/35/1065717135.db2.gz ZUOHEWDUZOFBOF-AREMUKBSSA-N 1 1 455.602 4.894 20 0 JJADMO Cn1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc2cc(C(F)(F)F)ccc21 ZINC001360644075 1065718347 /nfs/dbraw/zinc/71/83/47/1065718347.db2.gz NGQCBTXLEYKERK-UHFFFAOYSA-N 1 1 450.892 4.855 20 0 JJADMO C[NH+]1CCN(c2ccc(NC(=O)CSc3ccc(Br)cc3)cc2Cl)CC1 ZINC001360643984 1065718362 /nfs/dbraw/zinc/71/83/62/1065718362.db2.gz JFMHHFQMMQEMBQ-UHFFFAOYSA-N 1 1 454.821 4.585 20 0 JJADMO C[C@@H]1CCC[C@H](OCCCCCC(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@@H+](C)C3)cc2)C1 ZINC001360657828 1065727457 /nfs/dbraw/zinc/72/74/57/1065727457.db2.gz DFGKHKMJASCCMK-SDUSCBPUSA-N 1 1 457.659 4.947 20 0 JJADMO C[C@@H]1CCC[C@@H](OCCCCCC(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@@H+](C)C3)cc2)C1 ZINC001360657826 1065727717 /nfs/dbraw/zinc/72/77/17/1065727717.db2.gz DFGKHKMJASCCMK-IEZKXTBUSA-N 1 1 457.659 4.947 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)OCc3cc(F)c(Br)cc3F)cc2)C[C@H](C)O1 ZINC001438518293 1065728028 /nfs/dbraw/zinc/72/80/28/1065728028.db2.gz JTGZUDIVTXGPHF-OKILXGFUSA-N 1 1 454.311 4.694 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)OCc3cc(F)c(Br)cc3F)cc2)C[C@H](C)O1 ZINC001438518293 1065728041 /nfs/dbraw/zinc/72/80/41/1065728041.db2.gz JTGZUDIVTXGPHF-OKILXGFUSA-N 1 1 454.311 4.694 20 0 JJADMO CCc1nc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)nn1-c1c(Cl)cccc1Cl ZINC001438578098 1065733166 /nfs/dbraw/zinc/73/31/66/1065733166.db2.gz IZVVUGYIENMEKD-INIZCTEOSA-N 1 1 450.414 4.663 20 0 JJADMO COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001360678741 1065734077 /nfs/dbraw/zinc/73/40/77/1065734077.db2.gz UQICNNIXGZRYJS-IZLXSDGUSA-N 1 1 458.602 4.613 20 0 JJADMO COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001360678741 1065734088 /nfs/dbraw/zinc/73/40/88/1065734088.db2.gz UQICNNIXGZRYJS-IZLXSDGUSA-N 1 1 458.602 4.613 20 0 JJADMO C[C@H](NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360711416 1065743779 /nfs/dbraw/zinc/74/37/79/1065743779.db2.gz FYBWKOUBIKWRKQ-GAJHUEQPSA-N 1 1 458.480 4.985 20 0 JJADMO C[C@H](NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360711416 1065743788 /nfs/dbraw/zinc/74/37/88/1065743788.db2.gz FYBWKOUBIKWRKQ-GAJHUEQPSA-N 1 1 458.480 4.985 20 0 JJADMO C[C@@H]1C[C@@H](N(C)C(=O)c2cnnn2-c2cc(Cl)ccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC001360734729 1065762482 /nfs/dbraw/zinc/76/24/82/1065762482.db2.gz CRVPLJMNCZAIAZ-APWZRJJASA-N 1 1 458.393 4.699 20 0 JJADMO C[C@H]1C[C@H](N(C)C(=O)c2cnnn2-c2cc(Cl)ccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC001360734731 1065762794 /nfs/dbraw/zinc/76/27/94/1065762794.db2.gz CRVPLJMNCZAIAZ-QFBILLFUSA-N 1 1 458.393 4.699 20 0 JJADMO C[C@@H]1C[C@@H](N(C)C(=O)Cc2noc3ccc(Br)cc32)CC[N@H+]1Cc1ccccc1 ZINC001360735393 1065763866 /nfs/dbraw/zinc/76/38/66/1065763866.db2.gz RDPPSQANBKCLLE-APWZRJJASA-N 1 1 456.384 4.644 20 0 JJADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CC1(C)CCC1 ZINC001360736488 1065765334 /nfs/dbraw/zinc/76/53/34/1065765334.db2.gz BMYAVXLZIDCLKJ-FQEVSTJZSA-N 1 1 473.637 4.542 20 0 JJADMO CC(C)[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)C[C@H]1CC=CCC1)[NH+]1CCOCC1 ZINC001360738219 1065768554 /nfs/dbraw/zinc/76/85/54/1065768554.db2.gz KUHKKIFEFZVKRS-HWBMXIPRSA-N 1 1 485.648 4.707 20 0 JJADMO CC(C)[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)C[C@H]1CC=CCC1)[NH+]1CCOCC1 ZINC001360738221 1065768624 /nfs/dbraw/zinc/76/86/24/1065768624.db2.gz KUHKKIFEFZVKRS-WRALFONMSA-N 1 1 485.648 4.707 20 0 JJADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2cscn2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001360739732 1065771527 /nfs/dbraw/zinc/77/15/27/1065771527.db2.gz VWVAGBQMOXVETE-LAUBAEHRSA-N 1 1 472.634 4.771 20 0 JJADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2cscn2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001360739733 1065771555 /nfs/dbraw/zinc/77/15/55/1065771555.db2.gz VWVAGBQMOXVETE-UTKZUKDTSA-N 1 1 472.634 4.771 20 0 JJADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@@H]1CCCC1(C)C ZINC001360739837 1065772180 /nfs/dbraw/zinc/77/21/80/1065772180.db2.gz XRIHGGUGRXDVAF-RTWAWAEBSA-N 1 1 487.664 4.931 20 0 JJADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@@H]1CCCC1(C)C ZINC001360739837 1065772192 /nfs/dbraw/zinc/77/21/92/1065772192.db2.gz XRIHGGUGRXDVAF-RTWAWAEBSA-N 1 1 487.664 4.931 20 0 JJADMO Cc1ccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1Br ZINC001439066577 1065782165 /nfs/dbraw/zinc/78/21/65/1065782165.db2.gz PFCDRYJNSVLYNH-XZOQPEGZSA-N 1 1 464.407 4.685 20 0 JJADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC[C@@H]1CCCCO1 ZINC001360745751 1065786369 /nfs/dbraw/zinc/78/63/69/1065786369.db2.gz PAIOFKXOQDHUGU-UNMCSNQZSA-N 1 1 473.637 4.827 20 0 JJADMO CC(C)c1ncc(Br)c(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCCCC2)n1 ZINC001439106875 1065787322 /nfs/dbraw/zinc/78/73/22/1065787322.db2.gz QXJVPIDVGFUWOF-UHFFFAOYSA-N 1 1 459.432 4.927 20 0 JJADMO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001439110269 1065787456 /nfs/dbraw/zinc/78/74/56/1065787456.db2.gz JJKVRPMORHWBPY-PWAGRJGVSA-N 1 1 459.403 4.747 20 0 JJADMO C[N@H+]1CCC[C@H](CNC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)[C@@H]1c1cccs1 ZINC001360746957 1065788951 /nfs/dbraw/zinc/78/89/51/1065788951.db2.gz INBUSPGQZNHFSH-AFPVUDKHSA-N 1 1 461.672 4.817 20 0 JJADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001360749994 1065793634 /nfs/dbraw/zinc/79/36/34/1065793634.db2.gz RWZSAKZMHVTKEF-CUVVAGTFSA-N 1 1 473.637 4.683 20 0 JJADMO CC(C)C(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001360750289 1065794647 /nfs/dbraw/zinc/79/46/47/1065794647.db2.gz VQCZJZKHJBTSDC-NFBKMPQASA-N 1 1 473.637 4.540 20 0 JJADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1CC[N@@H+](C)C1CCCC1 ZINC001360750851 1065796307 /nfs/dbraw/zinc/79/63/07/1065796307.db2.gz QUOVUYSRLLNEKZ-GBESFXJTSA-N 1 1 461.651 4.762 20 0 JJADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC(F)F)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001360754152 1065802802 /nfs/dbraw/zinc/80/28/02/1065802802.db2.gz OXWJCXOAPHAEPY-HOTGVXAUSA-N 1 1 464.948 4.622 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001439275507 1065809656 /nfs/dbraw/zinc/80/96/56/1065809656.db2.gz QYNJVPIPCPKXGM-WJNCPCKPSA-N 1 1 471.686 4.790 20 0 JJADMO C[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC(C)(C)OC[C@@H]1C)[N@@H+](C)C1CC1 ZINC001360756035 1065812140 /nfs/dbraw/zinc/81/21/40/1065812140.db2.gz NHRTYFJMLRSXMW-BZSNNMDCSA-N 1 1 462.038 4.558 20 0 JJADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@]1(O)CCC[C@H]1C ZINC001360757639 1065820213 /nfs/dbraw/zinc/82/02/13/1065820213.db2.gz FLGZRBRISQYNBR-BVFVYWQFSA-N 1 1 490.092 4.933 20 0 JJADMO O=C(c1cc(Cl)c(Br)cc1F)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001439360047 1065820018 /nfs/dbraw/zinc/82/00/18/1065820018.db2.gz SXLISXDGKQYKPI-CVEARBPZSA-N 1 1 451.767 4.836 20 0 JJADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CO)CC2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001360758075 1065822118 /nfs/dbraw/zinc/82/21/18/1065822118.db2.gz MKMYKAAVMQYATJ-FQEVSTJZSA-N 1 1 490.092 4.935 20 0 JJADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@H]2C)n1CC[N@H+]1CCC[C@@H]1C ZINC001360760710 1065834115 /nfs/dbraw/zinc/83/41/15/1065834115.db2.gz ROWGSMUCONFMNS-GBESFXJTSA-N 1 1 462.038 4.560 20 0 JJADMO C[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001360760857 1065834802 /nfs/dbraw/zinc/83/48/02/1065834802.db2.gz UKUUIZWFBSSMPV-SPEDKVCISA-N 1 1 476.065 4.806 20 0 JJADMO CC(C)[C@@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1ccsc1)[NH+]1CCOCC1 ZINC001360764431 1065845024 /nfs/dbraw/zinc/84/50/24/1065845024.db2.gz AKGWOICULJRSDM-DENIHFKCSA-N 1 1 487.645 4.612 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)C[C@@H]2CCCCO2)C1 ZINC001360765302 1065848944 /nfs/dbraw/zinc/84/89/44/1065848944.db2.gz OYGIJGAJAVVGBK-BDTNDASRSA-N 1 1 473.637 4.683 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C[C@@H](C)c1cccc(C)c1 ZINC001545924127 1065856355 /nfs/dbraw/zinc/85/63/55/1065856355.db2.gz QDNCENDHEZRGIO-OAQYLSRUSA-N 1 1 494.709 4.692 20 0 JJADMO C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC1CC(C)(C)C1 ZINC001360767496 1065856896 /nfs/dbraw/zinc/85/68/96/1065856896.db2.gz PVXFOBLIKNXXEZ-HSALFYBXSA-N 1 1 473.637 4.539 20 0 JJADMO C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC1CC(C)(C)C1 ZINC001360767496 1065856907 /nfs/dbraw/zinc/85/69/07/1065856907.db2.gz PVXFOBLIKNXXEZ-HSALFYBXSA-N 1 1 473.637 4.539 20 0 JJADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCC(Cl)=C(Cl)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001360769426 1065861853 /nfs/dbraw/zinc/86/18/53/1065861853.db2.gz IJFZLWJBZFLTMO-INIZCTEOSA-N 1 1 498.430 4.567 20 0 JJADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCC(Cl)=C(Cl)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001360769426 1065861875 /nfs/dbraw/zinc/86/18/75/1065861875.db2.gz IJFZLWJBZFLTMO-INIZCTEOSA-N 1 1 498.430 4.567 20 0 JJADMO C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCCC(C)(C)C ZINC001360769647 1065862556 /nfs/dbraw/zinc/86/25/56/1065862556.db2.gz LNMYJONHCUKTKB-SFTDATJTSA-N 1 1 473.637 4.542 20 0 JJADMO C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCCC(C)(C)C ZINC001360769644 1065862588 /nfs/dbraw/zinc/86/25/88/1065862588.db2.gz LNMYJONHCUKTKB-LEWJYISDSA-N 1 1 473.637 4.542 20 0 JJADMO CC(C)[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C)C(C)(C)C1)[NH+]1CCOCC1 ZINC001360769699 1065863293 /nfs/dbraw/zinc/86/32/93/1065863293.db2.gz MAVOCOUPDQQENP-QNWVGRARSA-N 1 1 487.664 4.786 20 0 JJADMO C[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC001545927623 1065908817 /nfs/dbraw/zinc/90/88/17/1065908817.db2.gz ANOIJTGPJUJESB-RFLWCCGPSA-N 1 1 461.005 4.872 20 0 JJADMO CC1(C)CCC[N@@H+](CCn2c(Cc3ccsc3)nnc2N2CC=C(C(F)(F)F)CC2)C1 ZINC001360808768 1065922093 /nfs/dbraw/zinc/92/20/93/1065922093.db2.gz UHEKADNVIGWBRK-UHFFFAOYSA-N 1 1 453.578 4.751 20 0 JJADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2OCCC2(C)C)CC1 ZINC001360817839 1065931013 /nfs/dbraw/zinc/93/10/13/1065931013.db2.gz YGAOGTLVSQVSFH-KRWDZBQOSA-N 1 1 496.519 4.895 20 0 JJADMO COc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCc1ccccc1Cl ZINC001440559234 1065948955 /nfs/dbraw/zinc/94/89/55/1065948955.db2.gz NLSQXOWHORVXQO-UHFFFAOYSA-N 1 1 450.966 4.886 20 0 JJADMO O=C(NN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)s1 ZINC001440679874 1065964343 /nfs/dbraw/zinc/96/43/43/1065964343.db2.gz MIYHRZZDCOXAIF-UHFFFAOYSA-N 1 1 456.409 4.563 20 0 JJADMO CCn1c2ccccc2c2cc(NC(=O)CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)ccc21 ZINC001440679879 1065964448 /nfs/dbraw/zinc/96/44/48/1065964448.db2.gz GXIMESPLXNTKPD-UHFFFAOYSA-N 1 1 450.583 4.696 20 0 JJADMO CCCN(CC)c1ccc(C(=O)NN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC001440681308 1065964918 /nfs/dbraw/zinc/96/49/18/1065964918.db2.gz REIGFGQGUNGVAD-UHFFFAOYSA-N 1 1 456.634 4.975 20 0 JJADMO CC1=C(Br)CN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC[N@H+](C)C(C)C)CC1 ZINC001360853042 1065968431 /nfs/dbraw/zinc/96/84/31/1065968431.db2.gz AZOGAKUXCXEDHS-UHFFFAOYSA-N 1 1 485.430 4.819 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(Cc2ccccc2C)nnc1N1CCC(C)=C(Br)C1 ZINC001360853717 1065970288 /nfs/dbraw/zinc/97/02/88/1065970288.db2.gz IPGRJTYTIXKBJG-UHFFFAOYSA-N 1 1 469.431 4.652 20 0 JJADMO CC(C)(C)OC(=O)N1CCC(CCCCC(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001440764175 1065977535 /nfs/dbraw/zinc/97/75/35/1065977535.db2.gz PIIYNJGCELTUFA-UHFFFAOYSA-N 1 1 457.659 4.581 20 0 JJADMO CCC(CC)[C@@H](CNC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)[NH+]1CCOCC1 ZINC001440792907 1065979863 /nfs/dbraw/zinc/97/98/63/1065979863.db2.gz BFOXYQNLARYXCE-LJQANCHMSA-N 1 1 456.439 4.984 20 0 JJADMO CCC(CC)[C@H](CNC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)[NH+]1CCOCC1 ZINC001440792898 1065979939 /nfs/dbraw/zinc/97/99/39/1065979939.db2.gz BFOXYQNLARYXCE-IBGZPJMESA-N 1 1 456.439 4.984 20 0 JJADMO Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)c1C ZINC001360862604 1065981401 /nfs/dbraw/zinc/98/14/01/1065981401.db2.gz UBXYYTCEIXAHPZ-IBGZPJMESA-N 1 1 468.690 4.778 20 0 JJADMO Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c1C ZINC001360864882 1065983077 /nfs/dbraw/zinc/98/30/77/1065983077.db2.gz KVBXRKDNMMHHQH-HSZRJFAPSA-N 1 1 494.709 4.743 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@H]2[N@@H+](C)CCCC2(C)C)c1C ZINC001360865381 1065984370 /nfs/dbraw/zinc/98/43/70/1065984370.db2.gz ANEVLCGKQRKMGL-FYYLOGMGSA-N 1 1 498.716 4.506 20 0 JJADMO Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCCCC[C@@H]3NC(=O)OC(C)(C)C)CC2)cc1 ZINC001440865555 1065985459 /nfs/dbraw/zinc/98/54/59/1065985459.db2.gz PXIOVQXZFNMKIA-RPWUZVMVSA-N 1 1 457.659 4.893 20 0 JJADMO Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001440886473 1065990342 /nfs/dbraw/zinc/99/03/42/1065990342.db2.gz XIDUHUYTCKKOME-HXUWFJFHSA-N 1 1 455.484 4.676 20 0 JJADMO Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC001440886473 1065990348 /nfs/dbraw/zinc/99/03/48/1065990348.db2.gz XIDUHUYTCKKOME-HXUWFJFHSA-N 1 1 455.484 4.676 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccoc3)n2CC[N@H+]2CCC[C@H](C)C2)c1C ZINC001360868331 1065991538 /nfs/dbraw/zinc/99/15/38/1065991538.db2.gz BFWQRGVXFFYIPN-UGKGYDQZSA-N 1 1 451.615 4.996 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ncc(Cl)n3C)n2CC[N@H+]2CCC[C@@H]2C)c1C ZINC001360869364 1065997661 /nfs/dbraw/zinc/99/76/61/1065997661.db2.gz OHVJNGUQPXMZFY-AZUAARDMSA-N 1 1 486.064 4.543 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1C ZINC001360869538 1065997948 /nfs/dbraw/zinc/99/79/48/1065997948.db2.gz ICSINBDBAGJYOT-WIVXBSKCSA-N 1 1 483.701 4.874 20 0 JJADMO Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001441064750 1066005287 /nfs/dbraw/zinc/00/52/87/1066005287.db2.gz ZGJTVMAHHBPTMX-MRXNPFEDSA-N 1 1 458.628 4.960 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H](C)C3CCCCC3)n2C[C@]2(O)CC[N@@H+](C)C2)c1C ZINC001360871661 1066006041 /nfs/dbraw/zinc/00/60/41/1066006041.db2.gz ZAACFVGHQRIJJO-XXAUWVGASA-N 1 1 469.674 4.507 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@](C)(O)C2CC2)c1C ZINC001360872830 1066007213 /nfs/dbraw/zinc/00/72/13/1066007213.db2.gz BHLZHJKDXIENQT-DFHRPNOPSA-N 1 1 483.701 4.753 20 0 JJADMO O=C(COc1ccc(Cl)cc1C1CCCCC1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC001441102796 1066007463 /nfs/dbraw/zinc/00/74/63/1066007463.db2.gz NCBGCIKNAYLWML-UHFFFAOYSA-N 1 1 456.030 4.705 20 0 JJADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2c(F)c(F)c(Br)c(F)c2F)CC1 ZINC001441192166 1066014142 /nfs/dbraw/zinc/01/41/42/1066014142.db2.gz XEVICEDHNUAHMA-UHFFFAOYSA-N 1 1 459.281 4.662 20 0 JJADMO O=C(N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001441193295 1066014576 /nfs/dbraw/zinc/01/45/76/1066014576.db2.gz CHPOBPKWSZKRFW-YRXWBPOGSA-N 1 1 450.467 4.967 20 0 JJADMO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001441217126 1066016456 /nfs/dbraw/zinc/01/64/56/1066016456.db2.gz DWRGOZIJEHJSQT-FQEVSTJZSA-N 1 1 455.027 4.707 20 0 JJADMO CN1CC[N@@H+](CCCNC(=O)C[C@H](Cc2ccccc2)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC001441238073 1066017901 /nfs/dbraw/zinc/01/79/01/1066017901.db2.gz FPIAACWSCMEIHB-URLMMPGGSA-N 1 1 455.646 4.898 20 0 JJADMO C[N@@H+]1CCN(CCCNC(=O)C[C@H](Cc2ccccc2)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC001441238073 1066017914 /nfs/dbraw/zinc/01/79/14/1066017914.db2.gz FPIAACWSCMEIHB-URLMMPGGSA-N 1 1 455.646 4.898 20 0 JJADMO C[N@H+]1CCN(CCCNC(=O)C[C@H](Cc2ccccc2)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC001441238073 1066017926 /nfs/dbraw/zinc/01/79/26/1066017926.db2.gz FPIAACWSCMEIHB-URLMMPGGSA-N 1 1 455.646 4.898 20 0 JJADMO CCOc1ccccc1-c1cccc(C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC001441252552 1066021433 /nfs/dbraw/zinc/02/14/33/1066021433.db2.gz ZUBGBZQTQRLNLM-HHHXNRCGSA-N 1 1 457.618 4.861 20 0 JJADMO CCOc1ccccc1-c1cccc(C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC001441252552 1066021446 /nfs/dbraw/zinc/02/14/46/1066021446.db2.gz ZUBGBZQTQRLNLM-HHHXNRCGSA-N 1 1 457.618 4.861 20 0 JJADMO CCOc1ccccc1-c1cccc(C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC001441252552 1066021461 /nfs/dbraw/zinc/02/14/61/1066021461.db2.gz ZUBGBZQTQRLNLM-HHHXNRCGSA-N 1 1 457.618 4.861 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CC[N@H+](C4CCC4)C[C@@H](C)C3)n2CC(F)(F)F)c1C ZINC001360877678 1066023918 /nfs/dbraw/zinc/02/39/18/1066023918.db2.gz NNSLTELOCNOOIJ-VQIMIIECSA-N 1 1 465.564 4.908 20 0 JJADMO CO[C@@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccccc1Br ZINC001441323626 1066028537 /nfs/dbraw/zinc/02/85/37/1066028537.db2.gz DFBAMWFNEFJXBE-WOJBJXKFSA-N 1 1 451.792 4.743 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCOC4(CCCCC4)C3)n2CC[N@H+](C)C(C)C)c1C ZINC001360879133 1066029154 /nfs/dbraw/zinc/02/91/54/1066029154.db2.gz GXHDSCOVPWSFLO-HSZRJFAPSA-N 1 1 469.674 4.915 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCOC[C@H]3C)n2CCC[N@@H+](C)C2CCCCC2)c1C ZINC001360879954 1066031955 /nfs/dbraw/zinc/03/19/55/1066031955.db2.gz SNRPGJHDMWNXMO-GGAORHGYSA-N 1 1 469.674 4.915 20 0 JJADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@]2(C)CC(c3cccc(Cl)c3F)=NO2)C1 ZINC001441355469 1066033140 /nfs/dbraw/zinc/03/31/40/1066033140.db2.gz NKLOJKCQADBFLU-CRICUBBOSA-N 1 1 457.977 4.911 20 0 JJADMO CC1=C(C)CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001360882823 1066036059 /nfs/dbraw/zinc/03/60/59/1066036059.db2.gz AIHQAHAZGMMSNA-AREMUKBSSA-N 1 1 459.679 4.520 20 0 JJADMO CC1=C(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001360884763 1066038876 /nfs/dbraw/zinc/03/88/76/1066038876.db2.gz GHFRCSYPKSKMBW-UHFFFAOYSA-N 1 1 461.452 4.847 20 0 JJADMO C[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)c1ccc(NC(N)=O)cc1 ZINC001441424646 1066040185 /nfs/dbraw/zinc/04/01/85/1066040185.db2.gz RPHIFUZCJBYTSH-AYCKEJKLSA-N 1 1 477.008 4.924 20 0 JJADMO Cc1cc(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)nn1-c1ccccc1Br ZINC001441446329 1066041589 /nfs/dbraw/zinc/04/15/89/1066041589.db2.gz NINUSHYZAYFEIB-UHFFFAOYSA-N 1 1 455.400 4.713 20 0 JJADMO CC(C)c1ccc([C@H](CNC(=O)c2cnn(C(C)C)c2N)[N@@H+]2CCc3sccc3C2)cc1 ZINC001441460068 1066042439 /nfs/dbraw/zinc/04/24/39/1066042439.db2.gz CDNSPGCIKJPEIW-QFIPXVFZSA-N 1 1 451.640 4.761 20 0 JJADMO CC(C)c1ccc([C@H](CNC(=O)c2cnn(C(C)C)c2N)[N@H+]2CCc3sccc3C2)cc1 ZINC001441460068 1066042452 /nfs/dbraw/zinc/04/24/52/1066042452.db2.gz CDNSPGCIKJPEIW-QFIPXVFZSA-N 1 1 451.640 4.761 20 0 JJADMO CC1=C(C)CN(c2nnc(CCCc3ccccc3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001360892264 1066044035 /nfs/dbraw/zinc/04/40/35/1066044035.db2.gz RAAGOEVZSMNGJO-XMMPIXPASA-N 1 1 451.659 4.501 20 0 JJADMO CCCCNc1nc(CC(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)cs1 ZINC001441476138 1066044933 /nfs/dbraw/zinc/04/49/33/1066044933.db2.gz TZSZPQPTACPUFJ-NRFANRHFSA-N 1 1 454.665 4.875 20 0 JJADMO CCCCNc1nc(CC(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)cs1 ZINC001441476138 1066044943 /nfs/dbraw/zinc/04/49/43/1066044943.db2.gz TZSZPQPTACPUFJ-NRFANRHFSA-N 1 1 454.665 4.875 20 0 JJADMO CCn1cc(Br)cc1C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001441476838 1066045020 /nfs/dbraw/zinc/04/50/20/1066045020.db2.gz VEWHQUAIWIEUNA-FQEVSTJZSA-N 1 1 458.425 4.861 20 0 JJADMO CCn1cc(Br)cc1C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001441476838 1066045026 /nfs/dbraw/zinc/04/50/26/1066045026.db2.gz VEWHQUAIWIEUNA-FQEVSTJZSA-N 1 1 458.425 4.861 20 0 JJADMO Cc1nc([C@H]2CCCN(c3nnc(COc4ccc(F)cc4)n3CC[N@H+](C)C(C)C)C2)sc1C ZINC001360896282 1066050224 /nfs/dbraw/zinc/05/02/24/1066050224.db2.gz ZWAMBDOBSULPON-FQEVSTJZSA-N 1 1 486.661 4.794 20 0 JJADMO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC(C)C)n1CC[N@@H+]1CCOCC1(C)C ZINC001360908401 1066063759 /nfs/dbraw/zinc/06/37/59/1066063759.db2.gz JROKRVYKXPQLAE-UHFFFAOYSA-N 1 1 468.671 4.580 20 0 JJADMO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC(C)C)n1CC[N@H+]1CCOCC1(C)C ZINC001360908401 1066063772 /nfs/dbraw/zinc/06/37/72/1066063772.db2.gz JROKRVYKXPQLAE-UHFFFAOYSA-N 1 1 468.671 4.580 20 0 JJADMO Cc1ccc(N2CCC(C(=O)NCc3cccc(NC(=O)Nc4cccc(C)c4)c3)CC2)[nH+]c1 ZINC001441863641 1066075360 /nfs/dbraw/zinc/07/53/60/1066075360.db2.gz FLDOATWLZXQFCZ-UHFFFAOYSA-N 1 1 457.578 4.875 20 0 JJADMO Cc1ncsc1CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCCn1cc[nH+]c1C ZINC001360930008 1066086696 /nfs/dbraw/zinc/08/66/96/1066086696.db2.gz PFERRLAEWXYROU-KRWDZBQOSA-N 1 1 469.590 4.554 20 0 JJADMO Cc1ncsc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360932098 1066089395 /nfs/dbraw/zinc/08/93/95/1066089395.db2.gz FGUYRSUIEWIQIZ-UHFFFAOYSA-N 1 1 492.491 4.559 20 0 JJADMO CCN(C(=O)c1cnc2ncc(Br)cc2c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001442068971 1066089595 /nfs/dbraw/zinc/08/95/95/1066089595.db2.gz FOXFMOCLOOOSPJ-IIBYNOLFSA-N 1 1 453.384 4.690 20 0 JJADMO C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]1C[C@]12CCN(C(=O)OC(C)(C)C)C2)C1CCCCC1 ZINC001442082195 1066091417 /nfs/dbraw/zinc/09/14/17/1066091417.db2.gz XZNNNVASIJAVBR-HOFKKMOUSA-N 1 1 455.643 4.714 20 0 JJADMO Cc1c(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@@H+](C)C2CCCC2)cnn1C ZINC001360935209 1066094871 /nfs/dbraw/zinc/09/48/71/1066094871.db2.gz XDIOJHVRTKHECL-UHFFFAOYSA-N 1 1 476.456 4.805 20 0 JJADMO Cc1cc(C(C)(C)C)ccc1OCCCC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001442112637 1066095487 /nfs/dbraw/zinc/09/54/87/1066095487.db2.gz OHWNLQGSVVLCMJ-JOCHJYFZSA-N 1 1 452.639 4.989 20 0 JJADMO Cc1cc(C(C)(C)C)ccc1OCCCC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001442112637 1066095497 /nfs/dbraw/zinc/09/54/97/1066095497.db2.gz OHWNLQGSVVLCMJ-JOCHJYFZSA-N 1 1 452.639 4.989 20 0 JJADMO Cc1cc(C(C)(C)C)ccc1OCCCC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001442112641 1066095570 /nfs/dbraw/zinc/09/55/70/1066095570.db2.gz OHWNLQGSVVLCMJ-QFIPXVFZSA-N 1 1 452.639 4.989 20 0 JJADMO Cc1cc(C(C)(C)C)ccc1OCCCC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001442112641 1066095580 /nfs/dbraw/zinc/09/55/80/1066095580.db2.gz OHWNLQGSVVLCMJ-QFIPXVFZSA-N 1 1 452.639 4.989 20 0 JJADMO Cc1occc1CN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001360944678 1066099449 /nfs/dbraw/zinc/09/94/49/1066099449.db2.gz FKLCZJGGYSDKRL-QZTJIDSGSA-N 1 1 457.569 4.805 20 0 JJADMO Cc1ncsc1CN(C)c1nnc(Cc2ccsc2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001360946439 1066101353 /nfs/dbraw/zinc/10/13/53/1066101353.db2.gz JKYCGSCCVSHTFW-UHFFFAOYSA-N 1 1 458.701 4.986 20 0 JJADMO Cc1occc1CN(C)c1nnc(CCOc2ccccc2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001360947347 1066102452 /nfs/dbraw/zinc/10/24/52/1066102452.db2.gz IQQMWXFLPWJCGZ-QHCPKHFHSA-N 1 1 451.615 4.558 20 0 JJADMO Cc1ncsc1CN(C)c1nnc(COc2ccccc2F)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001360949430 1066104204 /nfs/dbraw/zinc/10/42/04/1066104204.db2.gz GOERZEPGUVDSQE-ZWKOTPCHSA-N 1 1 472.634 4.518 20 0 JJADMO CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC001442225973 1066104286 /nfs/dbraw/zinc/10/42/86/1066104286.db2.gz QLWVGGQLXPKCDP-UHFFFAOYSA-N 1 1 451.571 4.953 20 0 JJADMO Cc1cc(C(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)ccc1-n1cccn1 ZINC001360951592 1066108545 /nfs/dbraw/zinc/10/85/45/1066108545.db2.gz CUBAPZZYKNRLOI-NRFANRHFSA-N 1 1 456.512 4.707 20 0 JJADMO O=C([C@@H]1C[C@H]1c1cccc(F)c1F)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001360951826 1066108664 /nfs/dbraw/zinc/10/86/64/1066108664.db2.gz KNTKIOXLTHVYRE-YZGWKJHDSA-N 1 1 452.467 4.981 20 0 JJADMO CCc1c(C(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)cnn1CC(C)C ZINC001360951918 1066109128 /nfs/dbraw/zinc/10/91/28/1066109128.db2.gz NHZIYDGLWNIMLX-HXUWFJFHSA-N 1 1 450.549 4.628 20 0 JJADMO COc1cc(C(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)cc(OC)c1C ZINC001360951987 1066109214 /nfs/dbraw/zinc/10/92/14/1066109214.db2.gz QNIXFVRTJFYOAO-LJQANCHMSA-N 1 1 450.501 4.539 20 0 JJADMO CCOc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)cc1OCC ZINC001442284129 1066111332 /nfs/dbraw/zinc/11/13/32/1066111332.db2.gz ALINOZDXIUJNSP-VQTJNVASSA-N 1 1 452.595 4.565 20 0 JJADMO CC(C)c1cc(C(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)c2ccccc2n1 ZINC001442292410 1066112482 /nfs/dbraw/zinc/11/24/82/1066112482.db2.gz AIQIGKZLVQLSCK-UHFFFAOYSA-N 1 1 451.014 4.954 20 0 JJADMO Cc1c(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cnn1C ZINC001360959402 1066116805 /nfs/dbraw/zinc/11/68/05/1066116805.db2.gz AVCNXABPENSXMI-UHFFFAOYSA-N 1 1 463.674 4.643 20 0 JJADMO Cc1c(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3cccc(F)c3)CC2)cnn1CC(C)C ZINC001360971364 1066127533 /nfs/dbraw/zinc/12/75/33/1066127533.db2.gz AADYTTZPABTULV-UHFFFAOYSA-N 1 1 481.664 4.537 20 0 JJADMO Cc1ccc(NC(=O)[C@H](C)CC(=O)c2ccc(Cl)cc2)cc1NC(=O)C[NH+]1CCCCC1 ZINC001442494407 1066131442 /nfs/dbraw/zinc/13/14/42/1066131442.db2.gz UZYDMQYHOBWEES-GOSISDBHSA-N 1 1 455.986 4.920 20 0 JJADMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)Cn1nc(C)c2c1nc(C(C)C)cc2C(F)(F)F ZINC001442527707 1066133680 /nfs/dbraw/zinc/13/36/80/1066133680.db2.gz NJHOFBKQXRLVJI-KRWDZBQOSA-N 1 1 453.553 4.653 20 0 JJADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001360985588 1066148561 /nfs/dbraw/zinc/14/85/61/1066148561.db2.gz GLFXUHRTBUDESC-OFNKIYASSA-N 1 1 496.700 4.722 20 0 JJADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)Cc2cccc(OCCCOc3ccccc3)c2)C1 ZINC001442672274 1066150716 /nfs/dbraw/zinc/15/07/16/1066150716.db2.gz VWWRXAFXZGSFLZ-ARNLJNQMSA-N 1 1 450.623 4.941 20 0 JJADMO CC[C@H](Cn1c(C(C)C)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC001545950960 1066153088 /nfs/dbraw/zinc/15/30/88/1066153088.db2.gz ZGFMDXFJAAFRJB-NQHRYMMQSA-N 1 1 453.675 4.880 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CC(C)C ZINC001360989482 1066161342 /nfs/dbraw/zinc/16/13/42/1066161342.db2.gz FUNHTHXQZOBKSN-SFTDATJTSA-N 1 1 476.065 4.503 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C(C)C)C2)n1CCC[NH+]1CCOCC1 ZINC001360989666 1066162835 /nfs/dbraw/zinc/16/28/35/1066162835.db2.gz IWKCNQHRHLDLDR-YADHBBJMSA-N 1 1 490.092 4.893 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCCCCCO ZINC001360991643 1066170279 /nfs/dbraw/zinc/17/02/79/1066170279.db2.gz DQCMFKMDFMBOLS-GGAORHGYSA-N 1 1 490.092 4.916 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCOC[C@H]2C)n1CC[N@@H+](C)C1CCCC1 ZINC001360992132 1066171018 /nfs/dbraw/zinc/17/10/18/1066171018.db2.gz JAGHPTVXSFIGJB-WOJBJXKFSA-N 1 1 476.065 4.788 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCSCC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001360992688 1066172329 /nfs/dbraw/zinc/17/23/29/1066172329.db2.gz RBQKWVKBZOQSKK-PXNSSMCTSA-N 1 1 478.106 4.973 20 0 JJADMO COc1cccc(COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)c1OC(F)F ZINC001360993371 1066173373 /nfs/dbraw/zinc/17/33/73/1066173373.db2.gz GAQGVBHDEGDFJB-FCHUYYIVSA-N 1 1 468.500 4.651 20 0 JJADMO Cc1cc([C@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c2ccccc2Cl)ccc1F ZINC001360995804 1066174833 /nfs/dbraw/zinc/17/48/33/1066174833.db2.gz POQJOQVALFIJFO-RPBOFIJWSA-N 1 1 452.957 4.894 20 0 JJADMO Cc1cc([C@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c2ccccc2Cl)ccc1F ZINC001360995804 1066174835 /nfs/dbraw/zinc/17/48/35/1066174835.db2.gz POQJOQVALFIJFO-RPBOFIJWSA-N 1 1 452.957 4.894 20 0 JJADMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)[C@H]1c1cccs1 ZINC001360996178 1066174848 /nfs/dbraw/zinc/17/48/48/1066174848.db2.gz CXIOWDBBGCJGNY-UGKGYDQZSA-N 1 1 455.624 4.859 20 0 JJADMO C[N@H+]1CCC[C@H](CNC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)[C@@H]1c1cccs1 ZINC001360996943 1066175494 /nfs/dbraw/zinc/17/54/94/1066175494.db2.gz XAWVZZCJAPIKLU-CEMLEFRQSA-N 1 1 457.640 4.588 20 0 JJADMO C[N@H+]1CCC[C@H](CNC(=O)c2ccn(-c3ccc(Br)cc3)n2)[C@H]1c1cccs1 ZINC001360996851 1066175511 /nfs/dbraw/zinc/17/55/11/1066175511.db2.gz VDEKASGRTOSNGT-QRWLVFNGSA-N 1 1 459.413 4.509 20 0 JJADMO Cc1cc(C)c(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC[N@@H+](C)C2CCCCC2)c(C)c1 ZINC001361014581 1066201239 /nfs/dbraw/zinc/20/12/39/1066201239.db2.gz QPLSPEDFHVEBLM-UHFFFAOYSA-N 1 1 491.684 4.548 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N(C)[C@H]3CCSC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001361018318 1066208020 /nfs/dbraw/zinc/20/80/20/1066208020.db2.gz LCJBXSIIKPMETQ-VXKWHMMOSA-N 1 1 457.688 4.536 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001361021130 1066213239 /nfs/dbraw/zinc/21/32/39/1066213239.db2.gz QTGKUHZFMDPJFB-QFIPXVFZSA-N 1 1 477.657 4.508 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N(C)C[C@H]3CCCCO3)n2C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001361022625 1066218760 /nfs/dbraw/zinc/21/87/60/1066218760.db2.gz WURKNOBPJYNDAN-BJKOFHAPSA-N 1 1 469.674 4.600 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](CC(C)C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001361026832 1066227699 /nfs/dbraw/zinc/22/76/99/1066227699.db2.gz IANPXHDRDNRNMK-AZGAKELHSA-N 1 1 483.701 4.703 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC(F)(F)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361027250 1066228908 /nfs/dbraw/zinc/22/89/08/1066228908.db2.gz MYTCFHFGHAJCAA-GOSISDBHSA-N 1 1 461.601 4.830 20 0 JJADMO CSc1nc(-c2ccco2)nc(C)c1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC001442842284 1066229736 /nfs/dbraw/zinc/22/97/36/1066229736.db2.gz NUXCNEJJCUPPBG-UHFFFAOYSA-N 1 1 450.608 4.548 20 0 JJADMO Cc1cnc(C2CCN(c3nnc(COc4cc(C)cc(C)c4)n3CC[N@H+](C)C(C)C)CC2)s1 ZINC001361027549 1066230518 /nfs/dbraw/zinc/23/05/18/1066230518.db2.gz PJJLAMQFQUOCAK-UHFFFAOYSA-N 1 1 482.698 4.963 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC001361031279 1066240956 /nfs/dbraw/zinc/24/09/56/1066240956.db2.gz MYJWAEMQMCBJCB-UKILVPOCSA-N 1 1 483.701 4.846 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361031512 1066242154 /nfs/dbraw/zinc/24/21/54/1066242154.db2.gz UBZWYJFUUJLLES-WIYYLYMNSA-N 1 1 479.591 4.985 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC001361031949 1066243544 /nfs/dbraw/zinc/24/35/44/1066243544.db2.gz GKWCKJODEQDMMO-CTNGQTDRSA-N 1 1 495.590 4.504 20 0 JJADMO COc1ccc(C(=O)CCC(=O)N2CC(C)(C)[N@@H+](Cc3ccccc3)CC2(C)C)cc1OC ZINC001454123820 1066248541 /nfs/dbraw/zinc/24/85/41/1066248541.db2.gz YJTQHZOAKVQVMG-UHFFFAOYSA-N 1 1 452.595 4.568 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCCOC(F)(F)F)c1 ZINC001361035429 1066253577 /nfs/dbraw/zinc/25/35/77/1066253577.db2.gz XDCKNHIOOYUBIE-UHFFFAOYSA-N 1 1 483.579 4.711 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2Cc2ccsc2)c1 ZINC001361035465 1066253806 /nfs/dbraw/zinc/25/38/06/1066253806.db2.gz XRPZAQZRPBTERL-UHFFFAOYSA-N 1 1 453.656 4.894 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[N@H+](C)C2CCCCC2)c1 ZINC001361038838 1066258419 /nfs/dbraw/zinc/25/84/19/1066258419.db2.gz QPCRWDRDLSBLEF-JOCHJYFZSA-N 1 1 495.590 4.506 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CC[N@H+](C)C2CCCC2)c1 ZINC001361038802 1066258580 /nfs/dbraw/zinc/25/85/80/1066258580.db2.gz PKLVDGTVGYXLQP-MUUNZHRXSA-N 1 1 483.701 4.990 20 0 JJADMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(F)c1Sc1ccccc1 ZINC001454269984 1066261299 /nfs/dbraw/zinc/26/12/99/1066261299.db2.gz OMFHLTGHCOQPRD-AREMUKBSSA-N 1 1 450.579 4.686 20 0 JJADMO CC[C@]1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546059133 1066261401 /nfs/dbraw/zinc/26/14/01/1066261401.db2.gz FNUHZCJYZCUIEZ-RZIGYZOXSA-N 1 1 496.700 4.661 20 0 JJADMO CC[C@]1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546059133 1066261414 /nfs/dbraw/zinc/26/14/14/1066261414.db2.gz FNUHZCJYZCUIEZ-RZIGYZOXSA-N 1 1 496.700 4.661 20 0 JJADMO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001443103182 1066268966 /nfs/dbraw/zinc/26/89/66/1066268966.db2.gz LYFGYGGUZPRWDB-QGZVFWFLSA-N 1 1 450.549 4.536 20 0 JJADMO COc1cc(OC)cc(C2(C(=O)N3CCC(C[N@@H+](C)Cc4ccccc4)CC3)CCCC2)c1 ZINC001443105978 1066269429 /nfs/dbraw/zinc/26/94/29/1066269429.db2.gz QEJFTSMFHOBRIF-UHFFFAOYSA-N 1 1 450.623 4.886 20 0 JJADMO CC[C@]1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001546060286 1066274055 /nfs/dbraw/zinc/27/40/55/1066274055.db2.gz XTFRVYJQNDJDDY-RAKYAITLSA-N 1 1 466.674 4.894 20 0 JJADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC001454396568 1066277368 /nfs/dbraw/zinc/27/73/68/1066277368.db2.gz BSUDSPQPZUDIIJ-VGSWGCGISA-N 1 1 457.496 4.816 20 0 JJADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001454399274 1066277523 /nfs/dbraw/zinc/27/75/23/1066277523.db2.gz FENDNXJOOBGAEV-AGILITTLSA-N 1 1 451.611 4.669 20 0 JJADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001454399277 1066277608 /nfs/dbraw/zinc/27/76/08/1066277608.db2.gz FENDNXJOOBGAEV-FGCOXFRFSA-N 1 1 451.611 4.669 20 0 JJADMO CCCc1c(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)nnn1-c1cccc(Cl)c1 ZINC001454406826 1066279462 /nfs/dbraw/zinc/27/94/62/1066279462.db2.gz POSJULCROYNULV-GCJKJVERSA-N 1 1 452.002 4.514 20 0 JJADMO Cc1sc2ncnc(SCCC(=O)N[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C)c2c1C ZINC001454408326 1066280134 /nfs/dbraw/zinc/28/01/34/1066280134.db2.gz SSXLOACOJXZLET-UZLBHIALSA-N 1 1 454.665 4.817 20 0 JJADMO CC[C@@H](Cn1c(C)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1)[N@H+]1CCc2ccccc2C1 ZINC001545955574 1066280363 /nfs/dbraw/zinc/28/03/63/1066280363.db2.gz XTMPZQLBTQKXRU-VWLOTQADSA-N 1 1 496.700 4.507 20 0 JJADMO Cc1cc(-c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCC[N@H+](C)C(C)C)c2ccccc2n1 ZINC001361049789 1066283140 /nfs/dbraw/zinc/28/31/40/1066283140.db2.gz OSIHQCOQJQEYNX-XMMPIXPASA-N 1 1 464.658 4.783 20 0 JJADMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@@H]2CCOc3c(F)cccc32)CC1 ZINC001443265284 1066287001 /nfs/dbraw/zinc/28/70/01/1066287001.db2.gz LJDSVEUUULCCIU-HXUWFJFHSA-N 1 1 450.476 4.834 20 0 JJADMO Cc1cc(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@H+]2CCC[C@@H](C)C2)no1 ZINC001361053192 1066288309 /nfs/dbraw/zinc/28/83/09/1066288309.db2.gz BMPCIWHXMGPBOS-MJGOQNOKSA-N 1 1 473.021 4.736 20 0 JJADMO Cc1cc(CN(C)c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)no1 ZINC001361054859 1066291387 /nfs/dbraw/zinc/29/13/87/1066291387.db2.gz IXNTUQCDPOJECY-HUUCEWRRSA-N 1 1 493.475 4.822 20 0 JJADMO Cc1cc(CN(C)c2nnc(-c3ccc(Br)cc3)n2CC[N@@H+](C)C2CCCC2)no1 ZINC001361055596 1066294460 /nfs/dbraw/zinc/29/44/60/1066294460.db2.gz ZHPBTDSTNZMPRD-UHFFFAOYSA-N 1 1 473.419 4.515 20 0 JJADMO CC[C@H]1Oc2cc([C@H](C)NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3CC(C)C)ccc2NC1=O ZINC001361056715 1066297073 /nfs/dbraw/zinc/29/70/73/1066297073.db2.gz AEOSHHQPFPHXHK-JWMZNBFRSA-N 1 1 463.622 4.768 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)C1CCC1 ZINC001443357455 1066300675 /nfs/dbraw/zinc/30/06/75/1066300675.db2.gz OJTDKHSNFRZRKG-RTWAWAEBSA-N 1 1 450.023 4.504 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)C1CCC1 ZINC001443357455 1066300694 /nfs/dbraw/zinc/30/06/94/1066300694.db2.gz OJTDKHSNFRZRKG-RTWAWAEBSA-N 1 1 450.023 4.504 20 0 JJADMO Cc1cc(CN(C)c2nnc(CCCc3ccccc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)no1 ZINC001361064813 1066304297 /nfs/dbraw/zinc/30/42/97/1066304297.db2.gz SMUJEISCMBSQDJ-HSZRJFAPSA-N 1 1 450.631 4.507 20 0 JJADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)c3c[nH]cc3-c3ccc(F)cc3)CC2)c1C ZINC001443414916 1066307888 /nfs/dbraw/zinc/30/78/88/1066307888.db2.gz VXJLJRRVSXXQOJ-UHFFFAOYSA-N 1 1 450.558 4.578 20 0 JJADMO CC[C@]1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001546063753 1066309336 /nfs/dbraw/zinc/30/93/36/1066309336.db2.gz BUBJZUCSMBQIMJ-JOCHJYFZSA-N 1 1 463.468 4.927 20 0 JJADMO C[NH+]1CCN([C@@H](CNC(=O)c2ccc(SCc3ccccc3)cc2)c2cccs2)CC1 ZINC001443437510 1066311259 /nfs/dbraw/zinc/31/12/59/1066311259.db2.gz YTQYBIDKNLOQOL-QHCPKHFHSA-N 1 1 451.661 4.759 20 0 JJADMO Cc1ccc(N2CCC(C(=O)Nc3nc4ccc(OCC(F)(F)F)cc4s3)CC2)[nH+]c1 ZINC001443505398 1066320927 /nfs/dbraw/zinc/32/09/27/1066320927.db2.gz VPJWXFDOVXIYEU-UHFFFAOYSA-N 1 1 450.486 4.796 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N(C)[C@H]2CCOC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001361088666 1066332302 /nfs/dbraw/zinc/33/23/02/1066332302.db2.gz XUWQHHAPYBBXJD-QFIPXVFZSA-N 1 1 490.092 4.599 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H](C)[C@H]2C)n1CC[N@@H+]1CCOCC1(C)C ZINC001361088637 1066332345 /nfs/dbraw/zinc/33/23/45/1066332345.db2.gz KMUVYIHIOBTSLV-TZIWHRDSSA-N 1 1 490.092 4.597 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H](C)[C@H]2C)n1CC[N@H+]1CCOCC1(C)C ZINC001361088637 1066332365 /nfs/dbraw/zinc/33/23/65/1066332365.db2.gz KMUVYIHIOBTSLV-TZIWHRDSSA-N 1 1 490.092 4.597 20 0 JJADMO CC[C@@]1(C)CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001546065921 1066337597 /nfs/dbraw/zinc/33/75/97/1066337597.db2.gz CFJSBPDYUKDZDQ-GIGWZHCTSA-N 1 1 494.728 4.812 20 0 JJADMO O=C(Cc1csc(-c2sccc2Br)n1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001361089753 1066337737 /nfs/dbraw/zinc/33/77/37/1066337737.db2.gz BOXKSTROFHLEQQ-CQSZACIVSA-N 1 1 454.459 4.557 20 0 JJADMO COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)cc1 ZINC001454886069 1066338457 /nfs/dbraw/zinc/33/84/57/1066338457.db2.gz XSJYXNFKJFYYHS-OAQYLSRUSA-N 1 1 453.558 4.614 20 0 JJADMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C2(CNC(=O)OCc3ccccc3)CCCC2)c1 ZINC001443644871 1066344177 /nfs/dbraw/zinc/34/41/77/1066344177.db2.gz POXHIISEHAYNIN-UHFFFAOYSA-N 1 1 451.611 4.630 20 0 JJADMO Cc1cccc(N(C)c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+](C)C2CCCC2)c1 ZINC001361101484 1066351202 /nfs/dbraw/zinc/35/12/02/1066351202.db2.gz LZZRHPZDTJGDEI-HSZRJFAPSA-N 1 1 498.672 4.537 20 0 JJADMO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C2)cc1 ZINC001455012596 1066353765 /nfs/dbraw/zinc/35/37/65/1066353765.db2.gz PVHASTWWMYLSJM-NKKJXINNSA-N 1 1 451.611 4.588 20 0 JJADMO COc1cccc(O[C@H](C)CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)c1 ZINC001361107188 1066356544 /nfs/dbraw/zinc/35/65/44/1066356544.db2.gz PPBFXXZJEGTERG-CTUHWIOQSA-N 1 1 450.604 4.556 20 0 JJADMO CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1 ZINC001455070362 1066357306 /nfs/dbraw/zinc/35/73/06/1066357306.db2.gz GZSKTDNVXACXLA-BMBTXRBNSA-N 1 1 457.574 4.564 20 0 JJADMO Cc1cccc(O[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC([NH+]3CCN(C(C)C)CC3)CC2)c1 ZINC001361111222 1066361406 /nfs/dbraw/zinc/36/14/06/1066361406.db2.gz XXBZZZABQZIFIB-DEOSSOPVSA-N 1 1 496.744 4.637 20 0 JJADMO Cc1cccc(O[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC([NH+]3CCN(C(C)C)CC3)CC2)c1 ZINC001361111223 1066361524 /nfs/dbraw/zinc/36/15/24/1066361524.db2.gz XXBZZZABQZIFIB-XMMPIXPASA-N 1 1 496.744 4.637 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCOc3cccc(C)c3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)o1 ZINC001361112160 1066363079 /nfs/dbraw/zinc/36/30/79/1066363079.db2.gz NIBKZPDMJGAYEY-JOCHJYFZSA-N 1 1 451.615 4.791 20 0 JJADMO Cc1ccccc1[C@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCC[C@@H](C)C1 ZINC001443761902 1066363546 /nfs/dbraw/zinc/36/35/46/1066363546.db2.gz REZIVFXKHJBBMZ-JLRUASKGSA-N 1 1 457.659 4.921 20 0 JJADMO C[N@H+]1CCC[C@H](CNC(=O)CCc2c3cc(Br)ccc3[nH]c2-c2ccccc2)C1 ZINC001443771444 1066366055 /nfs/dbraw/zinc/36/60/55/1066366055.db2.gz PICGROBCOMSJOG-QGZVFWFLSA-N 1 1 454.412 4.988 20 0 JJADMO COC(=O)Nc1cc(C(=O)NCc2ccccc2OCCC[N@@H+](C)C2CCCC2)ccc1F ZINC001361119304 1066370356 /nfs/dbraw/zinc/37/03/56/1066370356.db2.gz VXVTWRATQVFSIJ-UHFFFAOYSA-N 1 1 457.546 4.577 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@H]3CCOC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001361124062 1066376571 /nfs/dbraw/zinc/37/65/71/1066376571.db2.gz VUBOOABLBCWTOT-DNQXCXABSA-N 1 1 483.701 4.882 20 0 JJADMO CN(Cc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)C(=O)CCCC[NH+]1CCOCC1 ZINC001455282329 1066379855 /nfs/dbraw/zinc/37/98/55/1066379855.db2.gz LLZLSNGLZOVTRZ-UHFFFAOYSA-N 1 1 452.929 4.871 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](C)[C@H](C)C3)n2C[C@H]2CCC[N@H+]2CCCO)c1 ZINC001361125917 1066380712 /nfs/dbraw/zinc/38/07/12/1066380712.db2.gz HHDIWYPWJYQCKM-RBZQAINGSA-N 1 1 483.701 4.618 20 0 JJADMO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC(Cc3nc(C(=O)OCC)cs3)CC2)cc1 ZINC001455294364 1066381601 /nfs/dbraw/zinc/38/16/01/1066381601.db2.gz WNXGEISTJQQFHI-UHFFFAOYSA-N 1 1 457.640 4.647 20 0 JJADMO O=C(c1ccc(Oc2cccc(Cl)c2Cl)c(Cl)c1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001455309798 1066382694 /nfs/dbraw/zinc/38/26/94/1066382694.db2.gz ZVWJEGTUNXEAKR-LSDHHAIUSA-N 1 1 455.769 4.720 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@@](C)(O)C2CC2)c1 ZINC001361128335 1066391646 /nfs/dbraw/zinc/39/16/46/1066391646.db2.gz WRDQKYDQJZAVJS-MUUNZHRXSA-N 1 1 483.701 4.761 20 0 JJADMO CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC001455456007 1066392614 /nfs/dbraw/zinc/39/26/14/1066392614.db2.gz MXPNIBSDIOBXKJ-RPWUZVMVSA-N 1 1 459.556 4.578 20 0 JJADMO CCN(Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1)C(=O)CC[NH+]1CCN(CC)CC1 ZINC001443997362 1066392662 /nfs/dbraw/zinc/39/26/62/1066392662.db2.gz VXQPAAKPUFQIFG-UHFFFAOYSA-N 1 1 451.655 4.567 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC(C)(C)C3)n2CC[N@@H+](C)C2CCCC2)c1 ZINC001361130444 1066395784 /nfs/dbraw/zinc/39/57/84/1066395784.db2.gz MPYWLHQNZZOYBB-UHFFFAOYSA-N 1 1 469.674 4.779 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C)C3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361130804 1066396582 /nfs/dbraw/zinc/39/65/82/1066396582.db2.gz ROCRHPQDNMXUIF-DNVJHFABSA-N 1 1 469.674 4.634 20 0 JJADMO CCc1nc(C[NH+]2CCC(CNC(=O)/C=C\c3ccccc3OC(F)(F)F)CC2)cs1 ZINC001444042185 1066397428 /nfs/dbraw/zinc/39/74/28/1066397428.db2.gz XNHIJKZBAANHKM-FPLPWBNLSA-N 1 1 453.530 4.646 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2CC[N@@H+]2CC=CCC2)c1 ZINC001361131133 1066397846 /nfs/dbraw/zinc/39/78/46/1066397846.db2.gz YZDKROSWMZPWLZ-JOCHJYFZSA-N 1 1 467.658 4.555 20 0 JJADMO CC[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(C)C)CC1)[NH+]1CCCC1 ZINC001545965329 1066420849 /nfs/dbraw/zinc/42/08/49/1066420849.db2.gz VPXAUIZDKVFRFO-LJQANCHMSA-N 1 1 465.473 4.657 20 0 JJADMO Cc1cc(C)c(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1I ZINC001444163048 1066422471 /nfs/dbraw/zinc/42/24/71/1066422471.db2.gz FJCFOLPSMUNKMO-QZTJIDSGSA-N 1 1 454.396 4.635 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)Cc3nccs3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001361148786 1066437441 /nfs/dbraw/zinc/43/74/41/1066437441.db2.gz WHYWSUODNKAAQH-OAQYLSRUSA-N 1 1 468.671 4.687 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001361148840 1066437466 /nfs/dbraw/zinc/43/74/66/1066437466.db2.gz ZAIQCEOJXLMPRX-DQEYMECFSA-N 1 1 483.701 4.847 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)OC3CCCC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361149037 1066438052 /nfs/dbraw/zinc/43/80/52/1066438052.db2.gz GDIXGQANKFBRPC-SZPZYZBQSA-N 1 1 485.673 4.672 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)OC3CCCC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361149037 1066438064 /nfs/dbraw/zinc/43/80/64/1066438064.db2.gz GDIXGQANKFBRPC-SZPZYZBQSA-N 1 1 485.673 4.672 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001361151936 1066444778 /nfs/dbraw/zinc/44/47/78/1066444778.db2.gz GLDWRUZDJGKJDG-RPWUZVMVSA-N 1 1 483.701 4.703 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C)[C@@H](C)C3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361152045 1066445376 /nfs/dbraw/zinc/44/53/76/1066445376.db2.gz HMCFZRJTVYVSKL-TWDDROGUSA-N 1 1 483.701 4.844 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCC(C)CC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361152496 1066446594 /nfs/dbraw/zinc/44/65/94/1066446594.db2.gz MMYUDDGRUIOJFZ-ZRZAMGCNSA-N 1 1 469.674 4.598 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCCO[C@@H](C)C3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361158717 1066461796 /nfs/dbraw/zinc/46/17/96/1066461796.db2.gz FJAKLYROSVTILG-ARNLJNQMSA-N 1 1 483.701 4.847 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCCO[C@@H](C)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001361158979 1066462609 /nfs/dbraw/zinc/46/26/09/1066462609.db2.gz KUILTYIKZQVUGB-GMAHTHKFSA-N 1 1 469.674 4.600 20 0 JJADMO Cc1nc(CCn2c(COc3cc(C)ccc3C)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cs1 ZINC001361159234 1066463803 /nfs/dbraw/zinc/46/38/03/1066463803.db2.gz SYVULZMSACOGAA-UHFFFAOYSA-N 1 1 482.698 4.792 20 0 JJADMO CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC001444506538 1066469408 /nfs/dbraw/zinc/46/94/08/1066469408.db2.gz URLCOXAZMVIALY-HSZRJFAPSA-N 1 1 455.643 4.823 20 0 JJADMO C[NH+]1CCN(c2nc3ccc(NC(=O)c4cc(Cl)ccc4OC(F)F)cc3s2)CC1 ZINC001455995761 1066469773 /nfs/dbraw/zinc/46/97/73/1066469773.db2.gz ZXLMJFUGXCNDTQ-UHFFFAOYSA-N 1 1 452.914 4.555 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCS[C@H](C)C3)n2CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361162401 1066470196 /nfs/dbraw/zinc/47/01/96/1066470196.db2.gz BFKXXJGWWMNVBC-JTHBVZDNSA-N 1 1 471.715 4.928 20 0 JJADMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2CCNC(=O)OC(C)(C)C)[C@H]1c1cccs1 ZINC001444566670 1066477217 /nfs/dbraw/zinc/47/72/17/1066477217.db2.gz LSRBPZSPCNIPJF-UGKGYDQZSA-N 1 1 457.640 4.628 20 0 JJADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)COc1ccc(C2SCCCS2)cc1 ZINC001361166583 1066477624 /nfs/dbraw/zinc/47/76/24/1066477624.db2.gz YKSNPGDOYWQMOY-NRFANRHFSA-N 1 1 456.677 4.915 20 0 JJADMO Cc1ccc(C2(C)CCN(c3nnc(C(C)C)n3C[C@@H]3C[N@@H+](CC(C)C)CCO3)CC2)cc1 ZINC001361166737 1066478557 /nfs/dbraw/zinc/47/85/57/1066478557.db2.gz ZZGWLCBRBWIKLN-DEOSSOPVSA-N 1 1 453.675 4.625 20 0 JJADMO Cc1ccc([C@@]2(O)CCN(c3nnc(CC(C)(C)C)n3CCC[N@@H+]3C[C@H](C)C[C@H](C)C3)C2)cc1 ZINC001361166820 1066478592 /nfs/dbraw/zinc/47/85/92/1066478592.db2.gz AJAWKEIRQWJOOS-AWVRMFGXSA-N 1 1 467.702 4.641 20 0 JJADMO COc1cc(Br)cc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1 ZINC001456026371 1066480559 /nfs/dbraw/zinc/48/05/59/1066480559.db2.gz CCFBXGQXXYPTLU-IBGZPJMESA-N 1 1 451.792 4.896 20 0 JJADMO COc1cc(Br)cc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1 ZINC001456026371 1066480566 /nfs/dbraw/zinc/48/05/66/1066480566.db2.gz CCFBXGQXXYPTLU-IBGZPJMESA-N 1 1 451.792 4.896 20 0 JJADMO O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1cc(Cl)ncc1Br ZINC001456030622 1066482957 /nfs/dbraw/zinc/48/29/57/1066482957.db2.gz OXALOOHBLQVHSN-OAHLLOKOSA-N 1 1 457.199 4.935 20 0 JJADMO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1cc(Cl)ncc1Br ZINC001456030622 1066482965 /nfs/dbraw/zinc/48/29/65/1066482965.db2.gz OXALOOHBLQVHSN-OAHLLOKOSA-N 1 1 457.199 4.935 20 0 JJADMO O=C(CCCc1nnc(-c2ccccc2)o1)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001456033965 1066484386 /nfs/dbraw/zinc/48/43/86/1066484386.db2.gz WZZGDOXEPVFDNV-QFIPXVFZSA-N 1 1 452.986 4.884 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3ccc(F)c(C(F)(F)F)c3)n2CCn2cc[nH+]c2C)o1 ZINC001361178582 1066499609 /nfs/dbraw/zinc/49/96/09/1066499609.db2.gz OZGKWSJXFKNXDH-UHFFFAOYSA-N 1 1 462.451 4.846 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CCC[N@H+]2CCCC[C@@H]2C)o1 ZINC001361181128 1066502105 /nfs/dbraw/zinc/50/21/05/1066502105.db2.gz DTMNGXYBPWALCR-IBGZPJMESA-N 1 1 451.619 4.661 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3ccccc3F)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001361181081 1066502514 /nfs/dbraw/zinc/50/25/14/1066502514.db2.gz PKXUROZZJFNDCR-KDURUIRLSA-N 1 1 455.578 4.510 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCCc3ccccn3)n2CC[N@H+](C)C(C)C)cc1Br ZINC001361187260 1066511564 /nfs/dbraw/zinc/51/15/64/1066511564.db2.gz KPOSZAJRZUHBQU-UHFFFAOYSA-N 1 1 485.474 4.820 20 0 JJADMO O=C(c1c(Cl)nc2ccccn21)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001444868947 1066514844 /nfs/dbraw/zinc/51/48/44/1066514844.db2.gz UHFONFPBBXSRTG-KRWDZBQOSA-N 1 1 450.892 4.514 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCOC(C)(C)C)n2C[C@@H]2CCC[N@H+]2Cc2ccccc2)o1 ZINC001361190769 1066516178 /nfs/dbraw/zinc/51/61/78/1066516178.db2.gz RULYCNLMPDJIQM-QFIPXVFZSA-N 1 1 451.615 4.762 20 0 JJADMO C[C@]1(c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCc1sncc1Br ZINC001456151634 1066523978 /nfs/dbraw/zinc/52/39/78/1066523978.db2.gz JKTYJXVOWSVJAH-AUSIDOKSSA-N 1 1 470.436 4.612 20 0 JJADMO Cc1ccc(-c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1Br ZINC001361196231 1066524035 /nfs/dbraw/zinc/52/40/35/1066524035.db2.gz MESZAINUYBGGSS-ZHALLVOQSA-N 1 1 460.464 4.983 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)o1 ZINC001361200459 1066530534 /nfs/dbraw/zinc/53/05/34/1066530534.db2.gz WZIXTIIKCLDRFW-KOSHJBKYSA-N 1 1 497.606 4.888 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc(Br)sc2Br)C1 ZINC001445025041 1066530586 /nfs/dbraw/zinc/53/05/86/1066530586.db2.gz GMZPDKWOJNDYQL-CYBMUJFWSA-N 1 1 458.219 4.620 20 0 JJADMO C[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001445038745 1066531871 /nfs/dbraw/zinc/53/18/71/1066531871.db2.gz XQKNYOSEGCUDMF-TUACAJSNSA-N 1 1 451.611 4.621 20 0 JJADMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3N(C(=O)OC(C)(C)C)CCCC3(C)C)cc2)C1 ZINC001445040954 1066532057 /nfs/dbraw/zinc/53/20/57/1066532057.db2.gz AOHWQGNMQCTOGD-UGKGYDQZSA-N 1 1 459.631 4.771 20 0 JJADMO C[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001445038744 1066532116 /nfs/dbraw/zinc/53/21/16/1066532116.db2.gz XQKNYOSEGCUDMF-OYDLWJJNSA-N 1 1 451.611 4.621 20 0 JJADMO Cc1ccc(NCCCNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)[nH+]c1 ZINC001445083735 1066537467 /nfs/dbraw/zinc/53/74/67/1066537467.db2.gz BOHLDVABJKSMOL-RTWAWAEBSA-N 1 1 473.017 4.612 20 0 JJADMO CC(C)C[C@H](CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)NC(=O)OC(C)(C)C ZINC001445091272 1066538517 /nfs/dbraw/zinc/53/85/17/1066538517.db2.gz PVBTWAJHMAPTQK-KCWPFWIISA-N 1 1 457.659 4.831 20 0 JJADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3cccc(CSC4CCOCC4)c3)cc2)C[C@@H](C)O1 ZINC001456245614 1066544626 /nfs/dbraw/zinc/54/46/26/1066544626.db2.gz ACRNYKVHCCEXQL-WOJBJXKFSA-N 1 1 454.636 4.960 20 0 JJADMO C[C@H]1C[C@@H](NC(=O)c2ccc(CCNC(=O)OC(C)(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC001445229562 1066547730 /nfs/dbraw/zinc/54/77/30/1066547730.db2.gz ZZJMMEPVZUBMNQ-RDPSFJRHSA-N 1 1 451.611 4.537 20 0 JJADMO Cc1ccc(-c2nnc(N3CCCCCC3)n2CCCC[N@H+]2CCC[C@@H]2CO)cc1Br ZINC001361217516 1066553028 /nfs/dbraw/zinc/55/30/28/1066553028.db2.gz DRKSLFGPSCWPFV-OAQYLSRUSA-N 1 1 490.490 4.633 20 0 JJADMO Cc1ccc(-c2nnc(N3CCCCCC3)n2CCCC[N@H+]2CCC[C@H]2CO)cc1Br ZINC001361217515 1066553107 /nfs/dbraw/zinc/55/31/07/1066553107.db2.gz DRKSLFGPSCWPFV-NRFANRHFSA-N 1 1 490.490 4.633 20 0 JJADMO Cc1ccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2CCC[N@H+](C)C2CCCCC2)o1 ZINC001361217755 1066553439 /nfs/dbraw/zinc/55/34/39/1066553439.db2.gz MABQGSUDYITHLF-UHFFFAOYSA-N 1 1 482.595 4.576 20 0 JJADMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(COc3ccccc3Br)cc2)C1 ZINC001445296256 1066555943 /nfs/dbraw/zinc/55/59/43/1066555943.db2.gz JBOCIELWBKGRRP-HXUWFJFHSA-N 1 1 457.412 4.832 20 0 JJADMO O=C(c1cccc2c1OC(F)(F)O2)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001361220482 1066557539 /nfs/dbraw/zinc/55/75/39/1066557539.db2.gz RTNDMGJVZIOJLE-MRXNPFEDSA-N 1 1 456.411 4.535 20 0 JJADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)[C@H](C)C1 ZINC001456300289 1066558106 /nfs/dbraw/zinc/55/81/06/1066558106.db2.gz JTHGLMOOMOVXQC-PBHICJAKSA-N 1 1 456.439 4.984 20 0 JJADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)[C@H](C)C1 ZINC001456302705 1066558896 /nfs/dbraw/zinc/55/88/96/1066558896.db2.gz NGAZPYHHXOVBSH-KDOFPFPSSA-N 1 1 456.439 4.984 20 0 JJADMO Cc1ccc2nc(COc3ccc(C(=O)NCC[C@H](C)[N@@H+](C)Cc4ccccc4)cc3)cn2c1 ZINC001445356349 1066561676 /nfs/dbraw/zinc/56/16/76/1066561676.db2.gz HRJGKWHYVXZSDT-QFIPXVFZSA-N 1 1 456.590 4.862 20 0 JJADMO Cc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1Br ZINC001361226970 1066565475 /nfs/dbraw/zinc/56/54/75/1066565475.db2.gz DEWIVBJEVIACGD-IBGZPJMESA-N 1 1 490.490 4.896 20 0 JJADMO Cc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2CCC[N@H+]2CCCC[C@H]2C)cc1Br ZINC001361227638 1066566447 /nfs/dbraw/zinc/56/64/47/1066566447.db2.gz RVOWEVTXCRNUDX-RTBURBONSA-N 1 1 476.463 4.506 20 0 JJADMO O=C(Nc1ccc(I)cn1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001456364137 1066571676 /nfs/dbraw/zinc/57/16/76/1066571676.db2.gz WZACXGABXNKFPB-VQTJNVASSA-N 1 1 475.374 4.563 20 0 JJADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCCNc2ccc(-c3ccccc3)nn2)c1 ZINC001445481598 1066575980 /nfs/dbraw/zinc/57/59/80/1066575980.db2.gz YPCKYYLSKLZXCI-UHFFFAOYSA-N 1 1 451.574 4.618 20 0 JJADMO CC[C@H](NC(=O)c1cc(CCc2ccccc2)ccc1O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001445491208 1066577385 /nfs/dbraw/zinc/57/73/85/1066577385.db2.gz NIKSPTVASGDQFT-XTEPFMGCSA-N 1 1 458.602 4.587 20 0 JJADMO CC[C@H](NC(=O)c1cc(CCc2ccccc2)ccc1O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001445491208 1066577390 /nfs/dbraw/zinc/57/73/90/1066577390.db2.gz NIKSPTVASGDQFT-XTEPFMGCSA-N 1 1 458.602 4.587 20 0 JJADMO CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC001445522336 1066580930 /nfs/dbraw/zinc/58/09/30/1066580930.db2.gz GEEMAFBCPQQRQA-XQUALCHDSA-N 1 1 455.643 4.583 20 0 JJADMO CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC001445522332 1066581000 /nfs/dbraw/zinc/58/10/00/1066581000.db2.gz GEEMAFBCPQQRQA-LWSSLDFYSA-N 1 1 455.643 4.583 20 0 JJADMO C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC001445524618 1066582211 /nfs/dbraw/zinc/58/22/11/1066582211.db2.gz GWSGHKZFKOFUGI-WZONZLPQSA-N 1 1 455.574 4.692 20 0 JJADMO C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC001445524618 1066582220 /nfs/dbraw/zinc/58/22/20/1066582220.db2.gz GWSGHKZFKOFUGI-WZONZLPQSA-N 1 1 455.574 4.692 20 0 JJADMO O=C(CSCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001445527777 1066583134 /nfs/dbraw/zinc/58/31/34/1066583134.db2.gz URMNZMUBNQLDQX-GMAHTHKFSA-N 1 1 457.039 4.769 20 0 JJADMO CC(C)n1cc(Br)cc1C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001545976579 1066587416 /nfs/dbraw/zinc/58/74/16/1066587416.db2.gz RZACUAXQDVZNFL-LJQANCHMSA-N 1 1 456.388 4.727 20 0 JJADMO CCCc1nc(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)nn1-c1ccccc1Cl ZINC001445566973 1066588477 /nfs/dbraw/zinc/58/84/77/1066588477.db2.gz KWNWHYAZFYMOTB-LJQANCHMSA-N 1 1 458.050 4.990 20 0 JJADMO Cc1ccc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1I ZINC001445569173 1066589194 /nfs/dbraw/zinc/58/91/94/1066589194.db2.gz RAMYOXXWXLAPSG-KRWDZBQOSA-N 1 1 454.396 4.716 20 0 JJADMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C3(Cc4cccc(Cl)c4)CCCC3)C2)cc(OC)c1 ZINC001445610029 1066594702 /nfs/dbraw/zinc/59/47/02/1066594702.db2.gz DCLVVPAVYZWNTD-JOCHJYFZSA-N 1 1 457.014 4.851 20 0 JJADMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)C3(Cc4cccc(Cl)c4)CCCC3)C2)cc(OC)c1 ZINC001445610029 1066594714 /nfs/dbraw/zinc/59/47/14/1066594714.db2.gz DCLVVPAVYZWNTD-JOCHJYFZSA-N 1 1 457.014 4.851 20 0 JJADMO COc1ccc(C[C@H](C)NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1OC ZINC001361253479 1066601085 /nfs/dbraw/zinc/60/10/85/1066601085.db2.gz WCBBYVSLIWLCIU-ODTCIBSJSA-N 1 1 472.629 4.841 20 0 JJADMO Cc1ccc(CN(C)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCn2cc[nH+]c2C)s1 ZINC001361256102 1066604200 /nfs/dbraw/zinc/60/42/00/1066604200.db2.gz XXTRAWSDVLBXHJ-UHFFFAOYSA-N 1 1 499.685 4.604 20 0 JJADMO Cc1ccc(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)o1 ZINC001361258268 1066607521 /nfs/dbraw/zinc/60/75/21/1066607521.db2.gz QXOHKUNNFGORCZ-FQEVSTJZSA-N 1 1 472.033 4.561 20 0 JJADMO CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC001445705294 1066607654 /nfs/dbraw/zinc/60/76/54/1066607654.db2.gz UNMWRCPGSIKTSM-UGKGYDQZSA-N 1 1 454.590 4.789 20 0 JJADMO Cc1ccc(CN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](C)C[NH+]2CCOCC2)o1 ZINC001361261849 1066614986 /nfs/dbraw/zinc/61/49/86/1066614986.db2.gz YUXIYRYYXZFLEO-NRFANRHFSA-N 1 1 495.668 4.661 20 0 JJADMO Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c(C)c1 ZINC001361263618 1066616700 /nfs/dbraw/zinc/61/67/00/1066616700.db2.gz GXOYRJOFHGWLSK-QHCPKHFHSA-N 1 1 480.701 4.562 20 0 JJADMO Cc1cccc(-n2ncc(C(=O)N3CCC[N@H+](Cc4ccccc4)C[C@H]3C)c2C(F)(F)F)c1 ZINC001456544604 1066620682 /nfs/dbraw/zinc/62/06/82/1066620682.db2.gz CFZZPOZEOYNEGB-LJQANCHMSA-N 1 1 456.512 4.936 20 0 JJADMO C[C@H](C(=O)N1CCC[C@]1(C)Cc1ccc(Cl)s1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001456568135 1066627930 /nfs/dbraw/zinc/62/79/30/1066627930.db2.gz OXOOTNVJQRZCTK-UZUQRXQVSA-N 1 1 450.023 4.675 20 0 JJADMO Cc1ccc(Cn2c(CC(C)(C)C)nnc2N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)s1 ZINC001361285188 1066643832 /nfs/dbraw/zinc/64/38/32/1066643832.db2.gz SCUBTYFVCCJYHV-WMZHIEFXSA-N 1 1 469.703 4.538 20 0 JJADMO O=C(C[C@@H](c1ccc(O)cc1)C1CC1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001446003188 1066644134 /nfs/dbraw/zinc/64/41/34/1066644134.db2.gz RKNXVQJAAVGXQL-HSZRJFAPSA-N 1 1 457.412 4.819 20 0 JJADMO CC(C)[N@H+]1CC[C@H](C(=O)O[C@H]2CCOc3cc(Cl)cc(Cl)c32)[C@@H](c2cnn(C)c2)C1 ZINC001361288026 1066646311 /nfs/dbraw/zinc/64/63/11/1066646311.db2.gz GFBGXGGEVNALJX-SCTDSRPQSA-N 1 1 452.382 4.608 20 0 JJADMO Cc1ccccc1OCCCN(C)c1nnc(-c2cccn2C)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001492598945 1066649083 /nfs/dbraw/zinc/64/90/83/1066649083.db2.gz RXDRDBWNTBJAFB-XMMPIXPASA-N 1 1 464.658 4.618 20 0 JJADMO Cc1ccccc1OCCN(C)c1nnc(CC(C)(C)C)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001492601768 1066656347 /nfs/dbraw/zinc/65/63/47/1066656347.db2.gz JDNWZIDRQOAASE-SZPZYZBQSA-N 1 1 471.690 4.578 20 0 JJADMO Cc1ccccc1OCCN(C)c1nnc(Cc2ccsc2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001492601866 1066657065 /nfs/dbraw/zinc/65/70/65/1066657065.db2.gz JFUKEZCWUVWFTN-RBBKRZOGSA-N 1 1 467.683 4.874 20 0 JJADMO CC1=CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001492608417 1066668953 /nfs/dbraw/zinc/66/89/53/1066668953.db2.gz BTQFZFRVVCQQMY-SFHVURJKSA-N 1 1 469.431 4.713 20 0 JJADMO CC1=CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001492609867 1066671820 /nfs/dbraw/zinc/67/18/20/1066671820.db2.gz ZBNMBQBUIWQSQC-FQEVSTJZSA-N 1 1 458.448 4.984 20 0 JJADMO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001446193756 1066673354 /nfs/dbraw/zinc/67/33/54/1066673354.db2.gz NKGVDDDKHQJFOV-DWJNZPNVSA-N 1 1 455.574 4.589 20 0 JJADMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001446193756 1066673361 /nfs/dbraw/zinc/67/33/61/1066673361.db2.gz NKGVDDDKHQJFOV-DWJNZPNVSA-N 1 1 455.574 4.589 20 0 JJADMO C[N@H+]1CC[C@H](NC(=O)C[C@H]2c3ccccc3CN2C(=O)OC(C)(C)C)[C@H]1c1ccc(F)cc1 ZINC001446193864 1066674116 /nfs/dbraw/zinc/67/41/16/1066674116.db2.gz IUXMFSNIOPPFHT-WPFOTENUSA-N 1 1 453.558 4.569 20 0 JJADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(F)(F)c1ccc(Br)cc1 ZINC001456732375 1066676794 /nfs/dbraw/zinc/67/67/94/1066676794.db2.gz FDYNJWXXIFNEFB-SFHVURJKSA-N 1 1 451.355 4.912 20 0 JJADMO CC1=CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001492614153 1066678470 /nfs/dbraw/zinc/67/84/70/1066678470.db2.gz WFNJUHVDTNEJOU-IBGZPJMESA-N 1 1 494.467 4.821 20 0 JJADMO CC1=CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001492615219 1066680382 /nfs/dbraw/zinc/68/03/82/1066680382.db2.gz DVIAVQPTNPMTFX-MOPGFXCFSA-N 1 1 458.448 4.984 20 0 JJADMO CC1=CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001492615277 1066680593 /nfs/dbraw/zinc/68/05/93/1066680593.db2.gz HPKBETRNDYZITK-GOSISDBHSA-N 1 1 492.437 4.504 20 0 JJADMO COc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)ccc1OCc1cscn1 ZINC001456771729 1066686179 /nfs/dbraw/zinc/68/61/79/1066686179.db2.gz OHCQZPKORCJOAR-JTSKRJEESA-N 1 1 457.621 4.605 20 0 JJADMO CC[N@@H+](Cc1ccc(C(=O)Nc2cc(C(=O)OC)c(F)cc2Br)cc1)C(C)C ZINC001456771414 1066686303 /nfs/dbraw/zinc/68/63/03/1066686303.db2.gz BYJOLHBXZQLUQH-UHFFFAOYSA-N 1 1 451.336 4.857 20 0 JJADMO O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001446293214 1066686937 /nfs/dbraw/zinc/68/69/37/1066686937.db2.gz ZQVMDFZPHVFTAA-YHWJFPNBSA-N 1 1 450.579 4.567 20 0 JJADMO Cc1cnn([C@@H]2CCCN(c3nnc(-c4cccc(Cl)c4)n3CCC[N@H+](C)C(C)C)C2)c1 ZINC001492620628 1066690709 /nfs/dbraw/zinc/69/07/09/1066690709.db2.gz IRFLUNLQPCCEDR-JOCHJYFZSA-N 1 1 456.038 4.675 20 0 JJADMO Cc1cnn([C@H]2CCCN(c3nnc([C@@H](C)Oc4cccc(C)c4C)n3CC[N@H+](C)C(C)C)C2)c1 ZINC001492620483 1066690841 /nfs/dbraw/zinc/69/08/41/1066690841.db2.gz GSSFVEWRPFKZRL-RPWUZVMVSA-N 1 1 479.673 4.722 20 0 JJADMO O=C(NCc1cc2cccnc2cc1Br)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001446435551 1066705717 /nfs/dbraw/zinc/70/57/17/1066705717.db2.gz SDTUVXCUGNXGIG-JOCHJYFZSA-N 1 1 456.359 4.807 20 0 JJADMO O=C(NCc1cc2cccnc2cc1Br)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001446435551 1066705726 /nfs/dbraw/zinc/70/57/26/1066705726.db2.gz SDTUVXCUGNXGIG-JOCHJYFZSA-N 1 1 456.359 4.807 20 0 JJADMO CC(C)[C@H](NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC001446499387 1066711319 /nfs/dbraw/zinc/71/13/19/1066711319.db2.gz VFVIHJZKHDJRGD-FQEVSTJZSA-N 1 1 457.537 4.508 20 0 JJADMO Cc1cnc(C2CCN(c3nnc(C(C)C)n3CC[N@@H+](C)Cc3ccc(F)cc3)CC2)s1 ZINC001492632686 1066711457 /nfs/dbraw/zinc/71/14/57/1066711457.db2.gz KITOESKKOYQMGU-UHFFFAOYSA-N 1 1 456.635 4.822 20 0 JJADMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001446516488 1066713382 /nfs/dbraw/zinc/71/33/82/1066713382.db2.gz SMNVOMPBBKETEZ-SJROBZAFSA-N 1 1 472.674 4.532 20 0 JJADMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001446516488 1066713393 /nfs/dbraw/zinc/71/33/93/1066713393.db2.gz SMNVOMPBBKETEZ-SJROBZAFSA-N 1 1 472.674 4.532 20 0 JJADMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2ccccc2)c(C)[nH]c1=O ZINC001446515639 1066713433 /nfs/dbraw/zinc/71/34/33/1066713433.db2.gz MRSIAQVUTQZFIW-BCHFMIIMSA-N 1 1 458.606 4.839 20 0 JJADMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2ccccc2)c(C)[nH]c1=O ZINC001446515639 1066713441 /nfs/dbraw/zinc/71/34/41/1066713441.db2.gz MRSIAQVUTQZFIW-BCHFMIIMSA-N 1 1 458.606 4.839 20 0 JJADMO C[N@H+]1CCN(C(=O)Cc2csc(-c3cc(Br)cs3)n2)C2(CCCCC2)C1 ZINC001456911279 1066719506 /nfs/dbraw/zinc/71/95/06/1066719506.db2.gz KLLPMCGROOBYBT-UHFFFAOYSA-N 1 1 454.459 4.654 20 0 JJADMO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001456914828 1066720145 /nfs/dbraw/zinc/72/01/45/1066720145.db2.gz OVAIHPJDQLOPJR-KKUQBAQOSA-N 1 1 477.649 4.678 20 0 JJADMO Cc1ccc([C@H](Cn2ccnc2)NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)c(C)c1 ZINC001446585798 1066724146 /nfs/dbraw/zinc/72/41/46/1066724146.db2.gz RABJHFIPOAHHLX-ZEQRLZLVSA-N 1 1 452.549 4.515 20 0 JJADMO Cc1csc([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CC(C)(C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)n1 ZINC001492641605 1066734795 /nfs/dbraw/zinc/73/47/95/1066734795.db2.gz HOGVRQFIJKDWMR-QHAWAJNXSA-N 1 1 488.746 4.903 20 0 JJADMO Cc1csc([C@@H]2CN(c3nnc(-c4cccc(Cl)c4)n3CCC[N@H+](C)C(C)C)CCO2)n1 ZINC001492641580 1066735017 /nfs/dbraw/zinc/73/50/17/1066735017.db2.gz MMAIAYLYORRWBV-FQEVSTJZSA-N 1 1 475.062 4.672 20 0 JJADMO O=C(COc1ccc(F)c(Cl)c1)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456981423 1066735386 /nfs/dbraw/zinc/73/53/86/1066735386.db2.gz GJNCYLWPZYRFEN-KRWDZBQOSA-N 1 1 458.883 4.771 20 0 JJADMO CC[C@]1(C)CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+](C)C2CCCCC2)CCO1 ZINC001546085993 1066737541 /nfs/dbraw/zinc/73/75/41/1066737541.db2.gz WUZCTVIBZKZLEG-RUZDIDTESA-N 1 1 477.600 4.816 20 0 JJADMO CC(C)[N@H+](Cc1ccc(NC(=O)c2ncc(Br)s2)cc1)C[C@@H]1CCCCO1 ZINC001446841218 1066746717 /nfs/dbraw/zinc/74/67/17/1066746717.db2.gz XWYISIFDAKFKJV-KRWDZBQOSA-N 1 1 452.418 4.937 20 0 JJADMO CC(C)[N@H+](Cc1ccc(NC(=O)[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)cc1)C[C@@H]1CCCCO1 ZINC001446840614 1066746823 /nfs/dbraw/zinc/74/68/23/1066746823.db2.gz WANXPCHISPTKLK-PMVMPFDFSA-N 1 1 459.631 4.565 20 0 JJADMO Cc1csc(CN(C)c2nnc(Cc3ccc(F)cc3)n2CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC001492647419 1066751525 /nfs/dbraw/zinc/75/15/25/1066751525.db2.gz LLVSDMYFVAIBJV-HXUWFJFHSA-N 1 1 471.646 4.515 20 0 JJADMO Cc1cc(N2CCC(NC(=O)[C@@H](Sc3ccc(F)cc3)c3ccccc3)CC2)nc(C)[nH+]1 ZINC001457054518 1066751578 /nfs/dbraw/zinc/75/15/78/1066751578.db2.gz SNHXSNNAABWVEN-DEOSSOPVSA-N 1 1 450.583 4.851 20 0 JJADMO Cc1csc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCC[N@H+](C(C)C)CC2)n1 ZINC001492649362 1066756489 /nfs/dbraw/zinc/75/64/89/1066756489.db2.gz ZHVHKALFRJIDJH-GOSISDBHSA-N 1 1 475.062 4.805 20 0 JJADMO Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001457094937 1066760193 /nfs/dbraw/zinc/76/01/93/1066760193.db2.gz LCZZHECKPAPKGO-KOSHJBKYSA-N 1 1 451.014 4.842 20 0 JJADMO O=C(Cc1csc(-c2cc(Br)cs2)n1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001457117836 1066766516 /nfs/dbraw/zinc/76/65/16/1066766516.db2.gz CRIDQAQGJKQIAJ-OAHLLOKOSA-N 1 1 454.459 4.557 20 0 JJADMO Cc1nc(C)c(CCn2c(N3CCC[N@@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)s1 ZINC001492657274 1066770540 /nfs/dbraw/zinc/77/05/40/1066770540.db2.gz QLBBRENABDZGFC-UHFFFAOYSA-N 1 1 452.672 4.604 20 0 JJADMO C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001447103037 1066773306 /nfs/dbraw/zinc/77/33/06/1066773306.db2.gz LJQZJJUCOGLUBJ-NEYJZJCJSA-N 1 1 468.013 4.672 20 0 JJADMO C[N@@H+](CCC(=O)NCCOc1c(Cl)cc(Br)cc1Cl)C1CCCCC1 ZINC001447113048 1066775529 /nfs/dbraw/zinc/77/55/29/1066775529.db2.gz ZJPDAKFRTUKYEV-UHFFFAOYSA-N 1 1 452.220 4.906 20 0 JJADMO Cc1nc(Cc2nnc(N(C)[C@@H](C)c3ccc(F)c(F)c3)n2CC[N@H+]2CCC[C@H]2C)cs1 ZINC001492661646 1066780807 /nfs/dbraw/zinc/78/08/07/1066780807.db2.gz KQQAFSNDTUPFDX-CVEARBPZSA-N 1 1 460.598 4.594 20 0 JJADMO Cc1nc(Cc2nnc(N(C)[C@@H](C)c3ccc(F)cc3)n2CC[N@@H+](C)C2CCCC2)cs1 ZINC001492662671 1066782863 /nfs/dbraw/zinc/78/28/63/1066782863.db2.gz WUXHIMGZFSMDOD-KRWDZBQOSA-N 1 1 456.635 4.845 20 0 JJADMO Cc1nc(Cc2nnc(N(C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)n2CC(C)C)cs1 ZINC001492663767 1066784091 /nfs/dbraw/zinc/78/40/91/1066784091.db2.gz JFZRTJIIRNLVKQ-XXBNENTESA-N 1 1 452.672 4.779 20 0 JJADMO Cc1nc(Cc2nnc(N(C)C[C@@H](C)c3nccs3)n2CCC[N@H+]2CCCC[C@H]2C)cs1 ZINC001492664486 1066785110 /nfs/dbraw/zinc/78/51/10/1066785110.db2.gz LEVYFRDEJKTVJM-QZTJIDSGSA-N 1 1 473.716 4.595 20 0 JJADMO Cc1nc(Cc2nnc(N(C)Cc3cccc(F)c3)n2CCCC[N@@H+]2CCC[C@H](C)C2)cs1 ZINC001492665625 1066787378 /nfs/dbraw/zinc/78/73/78/1066787378.db2.gz PLXHVIVYCYTKKZ-IBGZPJMESA-N 1 1 470.662 4.921 20 0 JJADMO Cc1nc(Cc2nnc(N(C)Cc3ccoc3C)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001492665838 1066788473 /nfs/dbraw/zinc/78/84/73/1066788473.db2.gz BGIXBSKOSIRGAZ-QGZVFWFLSA-N 1 1 456.660 4.682 20 0 JJADMO C[C@H](Cc1ccccc1)n1cccc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001447304897 1066790096 /nfs/dbraw/zinc/79/00/96/1066790096.db2.gz GSUACKMUXNPNPG-DNRSQYFGSA-N 1 1 450.671 4.701 20 0 JJADMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2cc(Br)ccc2OCc2ccccc2)C1 ZINC001447331991 1066794538 /nfs/dbraw/zinc/79/45/38/1066794538.db2.gz XMAIIHLOEXFPOZ-JOCHJYFZSA-N 1 1 451.364 4.945 20 0 JJADMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2cc(Br)ccc2OCc2ccccc2)C1 ZINC001447331991 1066794551 /nfs/dbraw/zinc/79/45/51/1066794551.db2.gz XMAIIHLOEXFPOZ-JOCHJYFZSA-N 1 1 451.364 4.945 20 0 JJADMO CC(C)c1ncc(OCc2ccccc2)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001457231287 1066795341 /nfs/dbraw/zinc/79/53/41/1066795341.db2.gz STFCERQGXVIEQJ-URXFXBBRSA-N 1 1 458.606 4.962 20 0 JJADMO C[C@H]1C[C@@H](NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001457237556 1066796387 /nfs/dbraw/zinc/79/63/87/1066796387.db2.gz JDKAPOBMRYAYCB-ASSXEAPQSA-N 1 1 453.671 4.801 20 0 JJADMO Cc1nc(Cc2nnc(N3CC=C(C(F)(F)F)CC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC001492671636 1066802560 /nfs/dbraw/zinc/80/25/60/1066802560.db2.gz AOQIEDKOWHVMAF-QGZVFWFLSA-N 1 1 482.620 4.845 20 0 JJADMO Cc1nc(Cc2nnc(N3CC[C@H]([N@@H+](C)Cc4ccccc4)C3)n2CCSC(F)(F)F)cs1 ZINC001492674638 1066809758 /nfs/dbraw/zinc/80/97/58/1066809758.db2.gz FCRGEDPUEYBUEX-IBGZPJMESA-N 1 1 496.628 4.598 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CCO[C@@H]2CCCC[C@@H]2C)cs1 ZINC001492674658 1066809824 /nfs/dbraw/zinc/80/98/24/1066809824.db2.gz FRNKFPHPPYELGM-GBXCKJPGSA-N 1 1 488.746 4.786 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CCO[C@H]2CCCC[C@@H]2C)cs1 ZINC001492674660 1066809867 /nfs/dbraw/zinc/80/98/67/1066809867.db2.gz FRNKFPHPPYELGM-RDPSFJRHSA-N 1 1 488.746 4.786 20 0 JJADMO C[C@H]1CCCN(C(=O)[C@@H](C[N@@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)c2ccccc21 ZINC001447469686 1066812689 /nfs/dbraw/zinc/81/26/89/1066812689.db2.gz APSPBCFTANJEGW-NZQKXSOJSA-N 1 1 451.611 4.942 20 0 JJADMO CC[C@H]1CN(C(=O)C[C@H](O)c2ccc(OCc3ccccc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001447501687 1066815850 /nfs/dbraw/zinc/81/58/50/1066815850.db2.gz SIVRHMLCMUPOFE-XCZPVHLTSA-N 1 1 458.602 4.812 20 0 JJADMO Cc1nc(Cc2nnc(N3CCCC3(C)C)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)cs1 ZINC001492677362 1066816019 /nfs/dbraw/zinc/81/60/19/1066816019.db2.gz DBPMRBJISVRZDF-FQEVSTJZSA-N 1 1 459.063 4.969 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@@H](C)COCc2ccccc2)cs1 ZINC001492677964 1066817217 /nfs/dbraw/zinc/81/72/17/1066817217.db2.gz OUPXZCHHCOGHGQ-OAQYLSRUSA-N 1 1 496.725 4.797 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)cs1 ZINC001492679488 1066821785 /nfs/dbraw/zinc/82/17/85/1066821785.db2.gz FFNFAAAYKIKHKU-NZQKXSOJSA-N 1 1 488.746 4.786 20 0 JJADMO CN(CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)Cc1ccc(F)cc1 ZINC001457395943 1066822085 /nfs/dbraw/zinc/82/20/85/1066822085.db2.gz SVRZNRVUWHMREH-RRPNLBNLSA-N 1 1 480.027 4.943 20 0 JJADMO CN(CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)Cc1ccc(F)cc1 ZINC001457395943 1066822092 /nfs/dbraw/zinc/82/20/92/1066822092.db2.gz SVRZNRVUWHMREH-RRPNLBNLSA-N 1 1 480.027 4.943 20 0 JJADMO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)/C(=C/c1cccc(Cl)c1)c1cccs1 ZINC001447580853 1066825512 /nfs/dbraw/zinc/82/55/12/1066825512.db2.gz DSLFHYOOIQJWMD-DHNIJCFSSA-N 1 1 453.007 4.825 20 0 JJADMO C[C@@H](CCNC(=O)c1ccc(I)cc1Cl)[N@@H+](C)Cc1ccccc1 ZINC001457420070 1066827366 /nfs/dbraw/zinc/82/73/66/1066827366.db2.gz AFWHXTIZFJYZIA-AWEZNQCLSA-N 1 1 456.755 4.585 20 0 JJADMO C[C@@H](CCNC(=O)c1ccc(Cl)c(I)c1)[N@@H+](C)Cc1ccccc1 ZINC001457420154 1066827459 /nfs/dbraw/zinc/82/74/59/1066827459.db2.gz AQNHDEUVEKIJOW-AWEZNQCLSA-N 1 1 456.755 4.585 20 0 JJADMO Cc1nc(Cc2nnc(N3CCS[C@H](C(C)C)C3)n2CCCC[N@H+]2CCCC[C@H]2C)cs1 ZINC001492684140 1066828021 /nfs/dbraw/zinc/82/80/21/1066828021.db2.gz RYMPHNPYLNONTH-KNQAVFIVSA-N 1 1 476.760 4.866 20 0 JJADMO C[C@H](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001457421995 1066828076 /nfs/dbraw/zinc/82/80/76/1066828076.db2.gz MKGKLPBJDDJLGW-KAMZKSLDSA-N 1 1 457.659 4.972 20 0 JJADMO C[C@H](CCNC(=O)[C@@H]1[C@@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001457424996 1066829212 /nfs/dbraw/zinc/82/92/12/1066829212.db2.gz VVSZPRHFEGNZSM-ONTLXTELSA-N 1 1 457.659 4.829 20 0 JJADMO C[C@H](CCNC(=O)[C@@H]1[C@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001457424993 1066829231 /nfs/dbraw/zinc/82/92/31/1066829231.db2.gz VVSZPRHFEGNZSM-KAMZKSLDSA-N 1 1 457.659 4.829 20 0 JJADMO C[C@H](CCNC(=O)[C@@H]1[C@@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001457424990 1066829317 /nfs/dbraw/zinc/82/93/17/1066829317.db2.gz VVSZPRHFEGNZSM-BUZMGHMJSA-N 1 1 457.659 4.829 20 0 JJADMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cc2cc(Br)ccc2s1 ZINC001447622069 1066830459 /nfs/dbraw/zinc/83/04/59/1066830459.db2.gz UQRBBOOHFQQIEA-LJQANCHMSA-N 1 1 459.409 4.551 20 0 JJADMO Cc1nc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cs1 ZINC001492692375 1066837985 /nfs/dbraw/zinc/83/79/85/1066837985.db2.gz RXFNCOQARZCZEL-NHCUHLMSSA-N 1 1 474.719 4.515 20 0 JJADMO Cc1ncc(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@@H+]2CCOCC2(C)C)s1 ZINC001492695691 1066843435 /nfs/dbraw/zinc/84/34/35/1066843435.db2.gz LFMJDBZMMTXMRQ-UHFFFAOYSA-N 1 1 495.480 4.764 20 0 JJADMO Cc1ncc(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@H+]2CCOCC2(C)C)s1 ZINC001492695691 1066843442 /nfs/dbraw/zinc/84/34/42/1066843442.db2.gz LFMJDBZMMTXMRQ-UHFFFAOYSA-N 1 1 495.480 4.764 20 0 JJADMO Cc1ncc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC001492695890 1066844097 /nfs/dbraw/zinc/84/40/97/1066844097.db2.gz CNEYKGSFAASITO-HNNXBMFYSA-N 1 1 492.491 4.702 20 0 JJADMO Cc1ncc(CN(C)c2nnc(-c3ccc(Br)s3)n2CCC[N@H+](C)C(C)C)s1 ZINC001492696208 1066845802 /nfs/dbraw/zinc/84/58/02/1066845802.db2.gz XWKUNXFBQGFGJN-UHFFFAOYSA-N 1 1 483.505 4.901 20 0 JJADMO Cc1ncc(CN(C)c2nnc(Cc3ccccc3F)n2CC[N@@H+](C)C2CCCCC2)s1 ZINC001492697695 1066849584 /nfs/dbraw/zinc/84/95/84/1066849584.db2.gz BRIITJWSWRSHSV-UHFFFAOYSA-N 1 1 456.635 4.674 20 0 JJADMO Cc1ncc(CN(C)c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)s1 ZINC001492698406 1066850991 /nfs/dbraw/zinc/85/09/91/1066850991.db2.gz WOADXCFZBGCJBS-MSOLQXFVSA-N 1 1 456.635 4.530 20 0 JJADMO Cc1ncc(CN(C)c2nnc(Cc3ccccc3F)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)s1 ZINC001492698460 1066851565 /nfs/dbraw/zinc/85/15/65/1066851565.db2.gz YEEUBFWMGDYRSU-GOSISDBHSA-N 1 1 470.662 4.920 20 0 JJADMO Cc1ncc(CN(C)c2nnc(Cc3ccsc3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)s1 ZINC001492698585 1066852362 /nfs/dbraw/zinc/85/23/62/1066852362.db2.gz CLNYKKJKAROVOT-GOSISDBHSA-N 1 1 458.701 4.844 20 0 JJADMO Cc1ncc(CN(C)c2nnc(COc3ccc(F)cc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)s1 ZINC001492698614 1066852410 /nfs/dbraw/zinc/85/24/10/1066852410.db2.gz DYEXTZNIMQARNA-OAQYLSRUSA-N 1 1 472.634 4.518 20 0 JJADMO CC(C)[C@H]1CN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCN1C(=O)OC(C)(C)C ZINC001447753378 1066853725 /nfs/dbraw/zinc/85/37/25/1066853725.db2.gz CFZNXZDMJBMVFT-RBBKRZOGSA-N 1 1 458.647 4.597 20 0 JJADMO CC[C@@H](NC(=O)CCCOc1ccc(C(C)(C)C)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001457548476 1066858647 /nfs/dbraw/zinc/85/86/47/1066858647.db2.gz UXPZWLIOIMVPRS-FTJBHMTQSA-N 1 1 452.639 4.939 20 0 JJADMO CC[C@@H](NC(=O)CCCOc1ccc(C(C)(C)C)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001457548476 1066858653 /nfs/dbraw/zinc/85/86/53/1066858653.db2.gz UXPZWLIOIMVPRS-FTJBHMTQSA-N 1 1 452.639 4.939 20 0 JJADMO CCn1cc(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c(=O)c2cc(Cl)ccc21 ZINC001457557015 1066860665 /nfs/dbraw/zinc/86/06/65/1066860665.db2.gz PXIQDNCVPOSLMU-GOSISDBHSA-N 1 1 451.998 4.837 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c(CC(C)(C)C)nnc2N(C)CCOC(C)(C)C)cc1F ZINC001492703711 1066861913 /nfs/dbraw/zinc/86/19/13/1066861913.db2.gz FGKVQOAZRIDIRG-UHFFFAOYSA-N 1 1 456.610 4.800 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c(CC(C)C)nnc2N(C)[C@H](C)CCc2ccc(O)cc2)cn1 ZINC001492704147 1066862477 /nfs/dbraw/zinc/86/24/77/1066862477.db2.gz RNIDJOBJMFGTDA-HXUWFJFHSA-N 1 1 473.625 4.577 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)CCC(F)F)cn1 ZINC001492703779 1066862505 /nfs/dbraw/zinc/86/25/05/1066862505.db2.gz GANNSSFWPYCWGP-INIZCTEOSA-N 1 1 485.514 4.586 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c(C(C)C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1F ZINC001492703857 1066862527 /nfs/dbraw/zinc/86/25/27/1066862527.db2.gz HMPXATUYESRWOV-SFHVURJKSA-N 1 1 497.619 4.529 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c(C(C)C)nnc2N(C)Cc2cccc(Br)c2)cn1 ZINC001492704208 1066862539 /nfs/dbraw/zinc/86/25/39/1066862539.db2.gz UKUOFWKUCQSGFE-UHFFFAOYSA-N 1 1 480.414 4.738 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(C2CCCC2)nnc1N(C)Cc1ccc(Br)o1 ZINC001492704466 1066863418 /nfs/dbraw/zinc/86/34/18/1066863418.db2.gz DCPQISXUVUEEQO-UHFFFAOYSA-N 1 1 461.408 4.913 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001492705351 1066864735 /nfs/dbraw/zinc/86/47/35/1066864735.db2.gz CUWXTDAYWRWXQP-GBESFXJTSA-N 1 1 472.634 4.873 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001492705545 1066865528 /nfs/dbraw/zinc/86/55/28/1066865528.db2.gz JKZGHCLHHORSPW-UHFFFAOYSA-N 1 1 473.412 4.607 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(C(C)C)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001492705594 1066865580 /nfs/dbraw/zinc/86/55/80/1066865580.db2.gz LFVZWKFIPHSITH-UHFFFAOYSA-N 1 1 487.693 4.860 20 0 JJADMO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001457569033 1066865865 /nfs/dbraw/zinc/86/58/65/1066865865.db2.gz YYRBOHXMQSXGSJ-HROJSSOGSA-N 1 1 451.014 4.780 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2cccc(Cl)c2)nnc1N(C)CCC1CCOCC1 ZINC001492705649 1066866292 /nfs/dbraw/zinc/86/62/92/1066866292.db2.gz NAPSUYLCVFVPLZ-UHFFFAOYSA-N 1 1 457.022 4.837 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H](C)C1 ZINC001492705191 1066866341 /nfs/dbraw/zinc/86/63/41/1066866341.db2.gz YILPKEMUAHNHMZ-HXUWFJFHSA-N 1 1 485.677 4.614 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001492705961 1066866878 /nfs/dbraw/zinc/86/68/78/1066866878.db2.gz YASOCMIEFOBJQG-OTWHNJEPSA-N 1 1 472.634 4.873 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCSC(C)(C)C1 ZINC001492706159 1066867344 /nfs/dbraw/zinc/86/73/44/1066867344.db2.gz FBSKRGJLWDRBGU-WOJBJXKFSA-N 1 1 460.692 4.514 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC001492706241 1066867465 /nfs/dbraw/zinc/86/74/65/1066867465.db2.gz HQHAMKCHANLKQF-IAGOWNOFSA-N 1 1 493.439 4.763 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(COc2ccc(F)cc2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001492706273 1066867508 /nfs/dbraw/zinc/86/75/08/1066867508.db2.gz ICCPAEIBKJEZTP-UHFFFAOYSA-N 1 1 478.494 4.680 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001492706240 1066867654 /nfs/dbraw/zinc/86/76/54/1066867654.db2.gz HQHAMKCHANLKQF-CALCHBBNSA-N 1 1 493.439 4.763 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(Cc2cccnc2)nnc1N(C)[C@H](C)c1cc(F)ccc1F ZINC001492706326 1066868567 /nfs/dbraw/zinc/86/85/67/1066868567.db2.gz JMLKHVYJYVPILL-GOSISDBHSA-N 1 1 465.552 4.725 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)(C)CC1 ZINC001492706656 1066869283 /nfs/dbraw/zinc/86/92/83/1066869283.db2.gz VHWSTENDYABRFV-NRFANRHFSA-N 1 1 485.677 4.962 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccccc1Br ZINC001492708288 1066871778 /nfs/dbraw/zinc/87/17/78/1066871778.db2.gz VSVCLWDKVRWWKV-HXUWFJFHSA-N 1 1 473.419 4.514 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(Cc2ccsc2)nnc1N(C)CCc1ccc(Br)cc1 ZINC001492708875 1066873169 /nfs/dbraw/zinc/87/31/69/1066873169.db2.gz OEFIVNONJYGKNM-UHFFFAOYSA-N 1 1 499.482 4.967 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCCCCC1 ZINC001492710117 1066874606 /nfs/dbraw/zinc/87/46/06/1066874606.db2.gz DRTLDJRWDHQUKQ-UHFFFAOYSA-N 1 1 463.811 4.947 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2cc(F)ccc2Br)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001492710273 1066875058 /nfs/dbraw/zinc/87/50/58/1066875058.db2.gz JNXTZOPRUNQJEX-LJQANCHMSA-N 1 1 493.450 4.630 20 0 JJADMO Cc1ccccc1-c1cc(NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)n(CCO)n1 ZINC001457597603 1066875334 /nfs/dbraw/zinc/87/53/34/1066875334.db2.gz ZUHAFDLXQTZLGE-UHFFFAOYSA-N 1 1 454.574 4.735 20 0 JJADMO Cc1[nH+]ccn1CCn1c(CC(C)(C)C)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 ZINC001492710797 1066876691 /nfs/dbraw/zinc/87/66/91/1066876691.db2.gz CBAJVRGTOKLHIZ-INIZCTEOSA-N 1 1 471.447 4.958 20 0 JJADMO Cc1[nH+]ccn1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 ZINC001492711378 1066876992 /nfs/dbraw/zinc/87/69/92/1066876992.db2.gz SGVXYFOZUKFHCY-KNQAVFIVSA-N 1 1 485.677 4.613 20 0 JJADMO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1cnn(-c2ncccc2Cl)c1C(F)F ZINC001457608634 1066877436 /nfs/dbraw/zinc/87/74/36/1066877436.db2.gz FZADYJWENIBCSL-INIZCTEOSA-N 1 1 451.949 4.633 20 0 JJADMO Cc1[nH+]ccn1CCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001492711894 1066877527 /nfs/dbraw/zinc/87/75/27/1066877527.db2.gz KIAAOMIXTRIRCD-KRWDZBQOSA-N 1 1 487.446 4.697 20 0 JJADMO C[NH+]1CCN([C@H](C(=O)NCc2ccc(-c3ccc(Cl)cc3)cc2F)c2ccccc2)CC1 ZINC001457637138 1066888508 /nfs/dbraw/zinc/88/85/08/1066888508.db2.gz WMGOVGMIVLWLNK-VWLOTQADSA-N 1 1 451.973 4.751 20 0 JJADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCC(C)C)CC1 ZINC001492723631 1066895030 /nfs/dbraw/zinc/89/50/30/1066895030.db2.gz VWDXCAKFQOHDDD-UHFFFAOYSA-N 1 1 484.092 4.631 20 0 JJADMO Cc1nc(SCC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)[nH]c1Cc1ccccc1 ZINC001457684412 1066897198 /nfs/dbraw/zinc/89/71/98/1066897198.db2.gz JCATWGISFGCYDA-HXUWFJFHSA-N 1 1 454.684 4.904 20 0 JJADMO Cc1[nH]c(SCC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)nc1Cc1ccccc1 ZINC001457684412 1066897206 /nfs/dbraw/zinc/89/72/06/1066897206.db2.gz JCATWGISFGCYDA-HXUWFJFHSA-N 1 1 454.684 4.904 20 0 JJADMO Cc1[nH]c(SCC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)nc1Cc1ccccc1 ZINC001457684412 1066897211 /nfs/dbraw/zinc/89/72/11/1066897211.db2.gz JCATWGISFGCYDA-HXUWFJFHSA-N 1 1 454.684 4.904 20 0 JJADMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001448126875 1066902581 /nfs/dbraw/zinc/90/25/81/1066902581.db2.gz UOJZRFHVDWDOAD-DHIUTWEWSA-N 1 1 451.611 4.798 20 0 JJADMO Cc1c(Br)c2ccccc2n1CC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001448128703 1066902919 /nfs/dbraw/zinc/90/29/19/1066902919.db2.gz VKBJDAKYMDHPCZ-JOCHJYFZSA-N 1 1 454.412 4.739 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cccc(O)c3)n2CCCC[N@H+]2CCCC[C@H]2C)n1 ZINC001492732422 1066905175 /nfs/dbraw/zinc/90/51/75/1066905175.db2.gz OODIPPBAWGYRKJ-GGAORHGYSA-N 1 1 479.673 4.697 20 0 JJADMO CCn1c2cc(Br)ccc2nc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001457734315 1066906594 /nfs/dbraw/zinc/90/65/94/1066906594.db2.gz YLFIZVQJPDPJGG-MRXNPFEDSA-N 1 1 459.363 4.809 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)c(Cl)c3)n2CCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC001492735970 1066909807 /nfs/dbraw/zinc/90/98/07/1066909807.db2.gz PJMAGUQFNDKASD-IBGZPJMESA-N 1 1 488.055 4.833 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)c(Cl)c3)n2CCC[N@@H+]2CCCC[C@H]2C)n1 ZINC001492735971 1066909936 /nfs/dbraw/zinc/90/99/36/1066909936.db2.gz PJMAGUQFNDKASD-LJQANCHMSA-N 1 1 488.055 4.833 20 0 JJADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1c[nH]c2ccc(Br)cc12 ZINC001448238429 1066913959 /nfs/dbraw/zinc/91/39/59/1066913959.db2.gz ZXOIYHAPLAMBJR-JOCHJYFZSA-N 1 1 454.412 4.890 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)C3CCCCC3)n2CC[N@@H+](C)Cc2ccccc2)n1 ZINC001492740231 1066915227 /nfs/dbraw/zinc/91/52/27/1066915227.db2.gz MZZNPDRUKONWRW-QHCPKHFHSA-N 1 1 463.674 4.677 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(CC(C)C)C(C)C)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC001492740174 1066915292 /nfs/dbraw/zinc/91/52/92/1066915292.db2.gz KKODFUYYMHRTTP-QHCPKHFHSA-N 1 1 472.081 4.967 20 0 JJADMO CN(C(=O)COc1ccc2cc(Br)ccc2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001457798247 1066923156 /nfs/dbraw/zinc/92/31/56/1066923156.db2.gz SYRBCBHMVCRWRS-QFIPXVFZSA-N 1 1 453.380 4.714 20 0 JJADMO O=C([C@H](c1ccccc1)[NH+]1CCSCC1)N1CCC(c2cccc(Br)c2)CC1 ZINC001448401150 1066923260 /nfs/dbraw/zinc/92/32/60/1066923260.db2.gz VYTIPSCDJXLQHB-QFIPXVFZSA-N 1 1 459.453 4.945 20 0 JJADMO O=C([C@@H](c1ccccc1)[NH+]1CCSCC1)N1CCC(c2cccc(Br)c2)CC1 ZINC001448401138 1066923313 /nfs/dbraw/zinc/92/33/13/1066923313.db2.gz VYTIPSCDJXLQHB-JOCHJYFZSA-N 1 1 459.453 4.945 20 0 JJADMO Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(C(C)(C)C)n3C[C@@H](c3ccccc3Cl)[NH+](C)C)C2)n1 ZINC001492757497 1066928796 /nfs/dbraw/zinc/92/87/96/1066928796.db2.gz ZHIGXARUSCTYDF-OFNKIYASSA-N 1 1 499.107 4.657 20 0 JJADMO CCc1ccc([C@H]2CN(C(=O)c3sc(NC(=O)c4cccc(F)c4)cc3C)CC[NH2+]2)cc1 ZINC001448449093 1066928960 /nfs/dbraw/zinc/92/89/60/1066928960.db2.gz JQDMCMOORFRQOX-OAQYLSRUSA-N 1 1 451.567 4.797 20 0 JJADMO Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(C(C)(C)C)n3C[C@H](c3ccccc3Cl)[NH+](C)C)C2)n1 ZINC001492757493 1066928913 /nfs/dbraw/zinc/92/89/13/1066928913.db2.gz ZHIGXARUSCTYDF-NFBKMPQASA-N 1 1 499.107 4.657 20 0 JJADMO C[N@H+]1CCC[C@@H](c2cccc(C(=O)N3C[C@@H](c4ccccc4F)[C@H](NC(=O)OC(C)(C)C)C3)c2)C1 ZINC001457869128 1066933613 /nfs/dbraw/zinc/93/36/13/1066933613.db2.gz XKOWFXASSLHYHL-NMVJMZGASA-N 1 1 481.612 4.768 20 0 JJADMO Cc1nnc(N(C)[C@H](CF)c2ccc(Br)cc2)n1CC[N@@H+](C)C1CCCCC1 ZINC001492775572 1066946134 /nfs/dbraw/zinc/94/61/34/1066946134.db2.gz CFBGOYIGWVFRFC-HXUWFJFHSA-N 1 1 452.416 4.761 20 0 JJADMO Cc1nnc(N(C)Cc2ccc(Br)s2)n1C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001492780254 1066947510 /nfs/dbraw/zinc/94/75/10/1066947510.db2.gz HNJGXDVCQQSRLX-FQEVSTJZSA-N 1 1 474.472 4.958 20 0 JJADMO Cc1nnc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001492800911 1066953096 /nfs/dbraw/zinc/95/30/96/1066953096.db2.gz NWHKYZBVNDYUIV-AGILITTLSA-N 1 1 453.675 4.917 20 0 JJADMO C[C@H](CC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001448724626 1066953910 /nfs/dbraw/zinc/95/39/10/1066953910.db2.gz VVTLBYDCKSCCRP-WHCXKFMVSA-N 1 1 457.659 4.688 20 0 JJADMO Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001492804595 1066953969 /nfs/dbraw/zinc/95/39/69/1066953969.db2.gz LHHOSXIDCKOFAH-NRFANRHFSA-N 1 1 486.705 4.635 20 0 JJADMO C[C@@H]1CN(C(=O)c2cc(Br)ccc2OC(F)F)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001458000103 1066955111 /nfs/dbraw/zinc/95/51/11/1066955111.db2.gz LNVGJCHQWXVXQX-CABCVRRESA-N 1 1 453.327 4.786 20 0 JJADMO C[C@@H]1CN(C(=O)c2cc(Br)ccc2OC(F)F)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001458000103 1066955117 /nfs/dbraw/zinc/95/51/17/1066955117.db2.gz LNVGJCHQWXVXQX-CABCVRRESA-N 1 1 453.327 4.786 20 0 JJADMO Cc1nnc(N2CCc3cc(OCC(C)(C)F)ccc3C2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001492834361 1066955224 /nfs/dbraw/zinc/95/52/24/1066955224.db2.gz LEEPUPLIQKGDRJ-HXUWFJFHSA-N 1 1 457.638 4.931 20 0 JJADMO C[C@@H]1CN(C(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001458005124 1066955662 /nfs/dbraw/zinc/95/56/62/1066955662.db2.gz QDDIFQAICKIOKF-JSRBNTPPSA-N 1 1 457.659 4.972 20 0 JJADMO C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1)c1ccc(Br)cn1 ZINC001448758589 1066955743 /nfs/dbraw/zinc/95/57/43/1066955743.db2.gz UWSIOQPVBIUURB-PWIZWCRZSA-N 1 1 470.436 4.999 20 0 JJADMO Cc1ccc(OCCC(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c(Br)c1 ZINC001458058214 1066963439 /nfs/dbraw/zinc/96/34/39/1066963439.db2.gz IQXABMZHWSKUHG-TZIWHRDSSA-N 1 1 459.428 4.943 20 0 JJADMO C[C@@H]1C[C@H](CCNC(=O)c2cnnn2-c2c(Cl)cccc2Cl)C[N@H+]1Cc1ccccc1 ZINC001458057817 1066963519 /nfs/dbraw/zinc/96/35/19/1066963519.db2.gz IEDRPVYBBFCUBC-AEFFLSMTSA-N 1 1 458.393 4.605 20 0 JJADMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)Cc1cccc(Br)c1 ZINC001458091571 1066971938 /nfs/dbraw/zinc/97/19/38/1066971938.db2.gz ANHPPPUINZGMDF-NRFANRHFSA-N 1 1 453.384 4.582 20 0 JJADMO CC[C@@H](c1nnc(N(C)[C@@H](C)CCSC)n1C[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC001545717195 1066972160 /nfs/dbraw/zinc/97/21/60/1066972160.db2.gz HLHIJJBZCLSJAY-TUNNFDKTSA-N 1 1 452.672 4.857 20 0 JJADMO CC[C@H](c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CC1CCCC1)c1ccccc1 ZINC001545719172 1066973053 /nfs/dbraw/zinc/97/30/53/1066973053.db2.gz BWFQCFFKWWQMIA-DEOSSOPVSA-N 1 1 453.675 4.805 20 0 JJADMO CC[C@@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001545719748 1066973525 /nfs/dbraw/zinc/97/35/25/1066973525.db2.gz LMGLQOYFJSRTIP-YHIKYWKLSA-N 1 1 494.728 4.824 20 0 JJADMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1cccc(C)c1Br ZINC001458094653 1066973745 /nfs/dbraw/zinc/97/37/45/1066973745.db2.gz QAUWVIIQJQXWNG-LJQANCHMSA-N 1 1 453.384 4.962 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(CNc3ncnc4cc(F)c(Br)cc43)cc2)C[C@H](C)O1 ZINC001458102418 1066976158 /nfs/dbraw/zinc/97/61/58/1066976158.db2.gz XEWSXWSGRQLTLJ-GASCZTMLSA-N 1 1 459.363 4.753 20 0 JJADMO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)NC[C@@](C)(Cc2ccccc2)[C@H](C)O)c1 ZINC001449048556 1066979463 /nfs/dbraw/zinc/97/94/63/1066979463.db2.gz QKRSSLOYYYAANC-PJVKZBBJSA-N 1 1 470.657 4.957 20 0 JJADMO CC[C@@H](c1nnc(N(C)C[C@@H]2CCCOC2)n1CCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC001545724781 1066981570 /nfs/dbraw/zinc/98/15/70/1066981570.db2.gz WYAJOYMAFQGAFB-SONWIMMPSA-N 1 1 453.675 4.947 20 0 JJADMO Cc1ccc(-c2noc([C@H](C)NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)n2)cc1F ZINC001545725579 1066982448 /nfs/dbraw/zinc/98/24/48/1066982448.db2.gz YTBKYFSUPJLLHT-LPHOPBHVSA-N 1 1 458.484 4.519 20 0 JJADMO Cc1cc(NC(=O)COc2c(Cl)cccc2Cl)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC001458125291 1066983156 /nfs/dbraw/zinc/98/31/56/1066983156.db2.gz OUEVUKZNTXNYPC-GOSISDBHSA-N 1 1 459.377 4.963 20 0 JJADMO CCCCc1nc(C)c(CC(=O)Nc2cc(C)nn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC001458127069 1066983586 /nfs/dbraw/zinc/98/35/86/1066983586.db2.gz ZMKBNMAZRQOREO-NRFANRHFSA-N 1 1 451.640 4.927 20 0 JJADMO CC[C@@H](c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC001545726619 1066983898 /nfs/dbraw/zinc/98/38/98/1066983898.db2.gz UGYSZTITMQAGQZ-FWJYYSRWSA-N 1 1 483.701 4.569 20 0 JJADMO CC[C@@H](c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC001545726619 1066983907 /nfs/dbraw/zinc/98/39/07/1066983907.db2.gz UGYSZTITMQAGQZ-FWJYYSRWSA-N 1 1 483.701 4.569 20 0 JJADMO CC[C@H](c1nnc(N(CC)[C@H](C)C2CCC2)n1CC[N@@H+]1CCOCC1(C)C)c1ccccc1 ZINC001545727865 1066984646 /nfs/dbraw/zinc/98/46/46/1066984646.db2.gz AVDFCEFUEAVZAR-QPPBQGQZSA-N 1 1 453.675 4.946 20 0 JJADMO CC[C@H](c1nnc(N(CC)[C@H](C)C2CCC2)n1CC[N@H+]1CCOCC1(C)C)c1ccccc1 ZINC001545727865 1066984660 /nfs/dbraw/zinc/98/46/60/1066984660.db2.gz AVDFCEFUEAVZAR-QPPBQGQZSA-N 1 1 453.675 4.946 20 0 JJADMO CC(C)(C)OC(=O)NCC[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001449175402 1066987494 /nfs/dbraw/zinc/98/74/94/1066987494.db2.gz OUPMJWLGPNZMKB-DHIUTWEWSA-N 1 1 455.643 4.585 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC001545730937 1066989132 /nfs/dbraw/zinc/98/91/32/1066989132.db2.gz IAUBKQNVCRCDLI-ICDZXHCJSA-N 1 1 467.702 4.929 20 0 JJADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001545731335 1066990481 /nfs/dbraw/zinc/99/04/81/1066990481.db2.gz MVXHLOYAQAANLV-XWVZOOPGSA-N 1 1 498.716 4.900 20 0 JJADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001545731334 1066990544 /nfs/dbraw/zinc/99/05/44/1066990544.db2.gz MVXHLOYAQAANLV-SCDRESIJSA-N 1 1 498.716 4.900 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)n1CCCC(F)(F)F)c1ccccc1 ZINC001545731300 1066990660 /nfs/dbraw/zinc/99/06/60/1066990660.db2.gz MPNISWYTMLSFKA-NNWRFLSQSA-N 1 1 479.591 4.710 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC001449252409 1066993014 /nfs/dbraw/zinc/99/30/14/1066993014.db2.gz SGAJLTMXFUNVJS-BDTNDASRSA-N 1 1 455.599 4.700 20 0 JJADMO CCC(CC)(C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccc(Cl)cc1 ZINC001449291255 1066995779 /nfs/dbraw/zinc/99/57/79/1066995779.db2.gz VGPJBZUEMRTAPY-VWLOTQADSA-N 1 1 454.058 4.817 20 0 JJADMO CC[C@@H](c1nnc(N2CC[C@H](C(C)C)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC001545734427 1066997531 /nfs/dbraw/zinc/99/75/31/1066997531.db2.gz SGWXPMXMCGPLQG-ZKMPZPQNSA-N 1 1 453.675 4.803 20 0 JJADMO CC[C@@H](c1nnc(N2CC[C@H](C)[C@H]2CC)n1C[C@@H](C(C)C)[NH+]1CCOCC1)c1ccccc1 ZINC001545735521 1066998417 /nfs/dbraw/zinc/99/84/17/1066998417.db2.gz CKOPNFXMLWOEIT-QVQNZMNRSA-N 1 1 453.675 4.802 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC001449321750 1066999293 /nfs/dbraw/zinc/99/92/93/1066999293.db2.gz GDKZXQUJVQJHED-OZNIXHKMSA-N 1 1 475.677 4.665 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(C)(COC)CC2)n1CC[N@@H+](C)C1CCCC1)c1ccccc1 ZINC001545736849 1067000986 /nfs/dbraw/zinc/00/09/86/1067000986.db2.gz WCTCLCNQCXSBHX-XMMPIXPASA-N 1 1 453.675 4.947 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(CO)CC2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545738853 1067004082 /nfs/dbraw/zinc/00/40/82/1067004082.db2.gz PGTHTMOEYCBDAL-MVERNJQCSA-N 1 1 467.702 4.787 20 0 JJADMO CC[C@H](c1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC001545739058 1067004502 /nfs/dbraw/zinc/00/45/02/1067004502.db2.gz SDQGSZYFTYCJCZ-REWPJTCUSA-N 1 1 493.618 4.957 20 0 JJADMO CC[C@H](c1nnc(N2CCC(CNC(C)=O)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1)c1ccccc1 ZINC001545739402 1067004993 /nfs/dbraw/zinc/00/49/93/1067004993.db2.gz ZMHFIRKGXLKRHC-BDYUSTAISA-N 1 1 494.728 4.541 20 0 JJADMO CC[C@H](c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1CC(C)(C)C(C)C)c1ccccc1 ZINC001545740633 1067005964 /nfs/dbraw/zinc/00/59/64/1067005964.db2.gz AZKUDMWSLANADR-DQEYMECFSA-N 1 1 466.718 4.718 20 0 JJADMO CC[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(C)C)CC1)[NH+]1CCCC1 ZINC001546014517 1067010546 /nfs/dbraw/zinc/01/05/46/1067010546.db2.gz JUWJSHDITVTXMB-NRFANRHFSA-N 1 1 477.122 4.629 20 0 JJADMO CC[C@H](c1nnc(N2CCCC(C)(C)C2)n1C[C@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001545745610 1067012414 /nfs/dbraw/zinc/01/24/14/1067012414.db2.gz DDYUXIGARRGOJL-NOZRDPDXSA-N 1 1 466.718 4.720 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@H](C)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545746911 1067016341 /nfs/dbraw/zinc/01/63/41/1067016341.db2.gz XAERNCJXOSUNPX-LYGMZBLVSA-N 1 1 453.675 4.946 20 0 JJADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001545748501 1067017373 /nfs/dbraw/zinc/01/73/73/1067017373.db2.gz BHHVCAWXHVIMTN-GMKZXUHWSA-N 1 1 482.717 4.681 20 0 JJADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001545748504 1067017432 /nfs/dbraw/zinc/01/74/32/1067017432.db2.gz BHHVCAWXHVIMTN-YFNKSVMNSA-N 1 1 482.717 4.681 20 0 JJADMO CC[C@H](c1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)C(C)C)c1ccccc1 ZINC001545749342 1067019685 /nfs/dbraw/zinc/01/96/85/1067019685.db2.gz MZHRYJBXIPJRQH-ZEQRLZLVSA-N 1 1 498.716 4.996 20 0 JJADMO CC[C@H](c1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)C(C)C)c1ccccc1 ZINC001545749341 1067019841 /nfs/dbraw/zinc/01/98/41/1067019841.db2.gz MZHRYJBXIPJRQH-RPWUZVMVSA-N 1 1 498.716 4.996 20 0 JJADMO O=S(=O)(c1cc(F)ccc1N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(F)(F)F ZINC001458283237 1067021048 /nfs/dbraw/zinc/02/10/48/1067021048.db2.gz JVBINHKRCJLCQO-BHIYHBOVSA-N 1 1 456.505 4.832 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1C[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC001545750052 1067021977 /nfs/dbraw/zinc/02/19/77/1067021977.db2.gz XMJBRCSFSJWYPW-PZUNEJSGSA-N 1 1 483.701 4.572 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H]1CCCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC001449740065 1067024082 /nfs/dbraw/zinc/02/40/82/1067024082.db2.gz GRRPCFMRRUYKAY-LEWJYISDSA-N 1 1 458.647 4.789 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC[C@@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC001545751508 1067024431 /nfs/dbraw/zinc/02/44/31/1067024431.db2.gz GXIWFWCYJXFALU-JBRSBNLGSA-N 1 1 453.675 4.946 20 0 JJADMO CC[C@@H](c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CC[N@H+]1CCCC[C@@H]1CC)c1ccccc1 ZINC001545751629 1067024558 /nfs/dbraw/zinc/02/45/58/1067024558.db2.gz JDVCETDRQKGMLC-IZZNHLLZSA-N 1 1 494.728 4.779 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001449742485 1067024828 /nfs/dbraw/zinc/02/48/28/1067024828.db2.gz LBKIEANMFCVKCC-SFTDATJTSA-N 1 1 450.023 4.600 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001449742485 1067024841 /nfs/dbraw/zinc/02/48/41/1067024841.db2.gz LBKIEANMFCVKCC-SFTDATJTSA-N 1 1 450.023 4.600 20 0 JJADMO CC[C@H](c1nnc(N2CCCCCCC2)n1CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC001545751707 1067024968 /nfs/dbraw/zinc/02/49/68/1067024968.db2.gz KEYGWIYMXXFZJX-DQEYMECFSA-N 1 1 453.675 4.827 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@](C)(OC)C1CC1)c1ccccc1 ZINC001545751812 1067025424 /nfs/dbraw/zinc/02/54/24/1067025424.db2.gz LRQGQLWIHOANID-YIXXDRMTSA-N 1 1 453.675 4.946 20 0 JJADMO CC[C@H](c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC1CCC(OC)CC1)c1ccccc1 ZINC001545752259 1067027830 /nfs/dbraw/zinc/02/78/30/1067027830.db2.gz UBSATDCFDLCREN-DWJCEPTDSA-N 1 1 453.675 4.946 20 0 JJADMO CC[C@@H](c1nnc(N2CCCC[C@H](SC)C2)n1CC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC001545752424 1067028223 /nfs/dbraw/zinc/02/82/23/1067028223.db2.gz XHZCBSVKLXYUBA-XZOQPEGZSA-N 1 1 471.715 4.653 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCN(C)CC(F)(F)F)c1ccccc1 ZINC001545752582 1067028631 /nfs/dbraw/zinc/02/86/31/1067028631.db2.gz ZPTJNKIVHHQXFM-OAQYLSRUSA-N 1 1 480.623 4.625 20 0 JJADMO CC[C@@H](c1nnc(N2CCCC[C@H](C)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1)c1ccccc1 ZINC001545752525 1067028816 /nfs/dbraw/zinc/02/88/16/1067028816.db2.gz YRRMKIHUSBKBKD-ICDZXHCJSA-N 1 1 453.675 4.803 20 0 JJADMO CC[C@@H](c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545756481 1067033954 /nfs/dbraw/zinc/03/39/54/1067033954.db2.gz IPRFAQNZFMVXPP-XUZZJYLKSA-N 1 1 496.700 4.655 20 0 JJADMO CC[C@@H](c1nnc(N2CCN(C(C)C)CC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545756599 1067034195 /nfs/dbraw/zinc/03/41/95/1067034195.db2.gz KQWPZBJDUNRHMS-KYPHJKQUSA-N 1 1 466.718 4.718 20 0 JJADMO CC1(C)CN(C(=O)c2cccc(Br)c2O)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001449907936 1067036987 /nfs/dbraw/zinc/03/69/87/1067036987.db2.gz DOFRDKOTJNFWLX-JOCHJYFZSA-N 1 1 457.412 4.918 20 0 JJADMO CC[C@@H](c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@H]1CCCSC1)c1ccccc1 ZINC001545758566 1067038239 /nfs/dbraw/zinc/03/82/39/1067038239.db2.gz JCSMXEAOBSRBDW-ISKFKSNPSA-N 1 1 471.715 4.510 20 0 JJADMO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N3C[C@H](c4ccc(C)cc4)C[C@@H]3C)c2c1C ZINC001458349754 1067039305 /nfs/dbraw/zinc/03/93/05/1067039305.db2.gz UAQWYMSIHONWLA-QFBILLFUSA-N 1 1 452.624 4.929 20 0 JJADMO Cc1sc2ncnc(SCCC(=O)NCC3([N@@H+](C)Cc4ccccc4)CCC3)c2c1C ZINC001450000486 1067040809 /nfs/dbraw/zinc/04/08/09/1067040809.db2.gz WDFSXUPPQZIJBC-UHFFFAOYSA-N 1 1 454.665 4.961 20 0 JJADMO CC[C@@H](c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@@H]1CC[C@@H](F)C1)c1ccccc1 ZINC001545759304 1067041986 /nfs/dbraw/zinc/04/19/86/1067041986.db2.gz WDMRSBPCKAORRT-GMKZXUHWSA-N 1 1 457.638 4.505 20 0 JJADMO CC[C@H](c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@@H](C)SC)c1ccccc1 ZINC001545759445 1067042563 /nfs/dbraw/zinc/04/25/63/1067042563.db2.gz XZSWSBPCESOKQB-KNQAVFIVSA-N 1 1 455.697 4.955 20 0 JJADMO O=C([C@H](c1ccccc1)[NH+]1CCSCC1)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC001450027774 1067043014 /nfs/dbraw/zinc/04/30/14/1067043014.db2.gz LCPVDZVMBOMIEW-SFHVURJKSA-N 1 1 455.571 4.658 20 0 JJADMO CC[C@H](c1nnc(N2CCN3CCCC[C@H]3C2)n1CC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC001545761435 1067045088 /nfs/dbraw/zinc/04/50/88/1067045088.db2.gz RLHAATUZAPCWPI-DQEYMECFSA-N 1 1 452.691 4.613 20 0 JJADMO C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)c3cc(Cl)nc4ccccc43)cc2)C[C@H]1C ZINC001458389071 1067048723 /nfs/dbraw/zinc/04/87/23/1067048723.db2.gz ACIFQNUPNRXQMB-KDURUIRLSA-N 1 1 451.998 4.827 20 0 JJADMO CC[C@@H](c1nnc(N2CCO[C@@H](COC(C)C)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC001545764322 1067048911 /nfs/dbraw/zinc/04/89/11/1067048911.db2.gz UFFQBBYJCRKQNF-UBFVSLLYSA-N 1 1 483.701 4.571 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001450114020 1067050476 /nfs/dbraw/zinc/05/04/76/1067050476.db2.gz KCTRZBKLUAEELJ-ISKFKSNPSA-N 1 1 459.675 4.681 20 0 JJADMO CC[C@@H](c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001545765450 1067050495 /nfs/dbraw/zinc/05/04/95/1067050495.db2.gz BEEALFRHTABMRR-MFYODDQASA-N 1 1 453.675 4.539 20 0 JJADMO CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001450114031 1067050613 /nfs/dbraw/zinc/05/06/13/1067050613.db2.gz KCTRZBKLUAEELJ-UPVQGACJSA-N 1 1 459.675 4.681 20 0 JJADMO C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)c3ccc(C(F)(F)F)c(F)c3)cc2)C[C@H]1C ZINC001458396264 1067050783 /nfs/dbraw/zinc/05/07/83/1067050783.db2.gz NVHWQMCJHXLPQV-CALCHBBNSA-N 1 1 452.492 4.784 20 0 JJADMO CC[C@@H](c1nnc(N2CCS[C@H](C(C)C)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1)c1ccccc1 ZINC001545766597 1067051864 /nfs/dbraw/zinc/05/18/64/1067051864.db2.gz WIUVXPXGNXJWMA-SDHSZQHLSA-N 1 1 485.742 4.755 20 0 JJADMO CC[C@@H](c1nnc(N2CCS[C@@H](C(C)C)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1)c1ccccc1 ZINC001545766598 1067051982 /nfs/dbraw/zinc/05/19/82/1067051982.db2.gz WIUVXPXGNXJWMA-UBFVSLLYSA-N 1 1 485.742 4.755 20 0 JJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H](C(F)(F)F)OC(C)(C)C2)n1 ZINC001458399644 1067052499 /nfs/dbraw/zinc/05/24/99/1067052499.db2.gz MXCYPVSMVDCAHK-INIZCTEOSA-N 1 1 450.530 4.966 20 0 JJADMO CC(=O)Nc1cc(C(=O)N(Cc2ccncc2)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1C ZINC001450160464 1067056628 /nfs/dbraw/zinc/05/66/28/1067056628.db2.gz ZIPUWEXCFOHNET-SANMLTNESA-N 1 1 456.590 4.655 20 0 JJADMO CCC(CC)(Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C)SC ZINC001545770941 1067056820 /nfs/dbraw/zinc/05/68/20/1067056820.db2.gz AISSJLZQGXLTRD-FUHWJXTLSA-N 1 1 495.535 4.641 20 0 JJADMO CCC(CC)(Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C)SC ZINC001545771583 1067059247 /nfs/dbraw/zinc/05/92/47/1067059247.db2.gz TYDAGBIQOPPJME-WBVHZDCISA-N 1 1 481.508 4.630 20 0 JJADMO C[N@H+]1CC[C@@H](CNC(=O)c2cnc(OCC3CC3)c(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458448991 1067063861 /nfs/dbraw/zinc/06/38/61/1067063861.db2.gz QVPFNPVUFCDQPL-MGPUTAFESA-N 1 1 452.357 4.739 20 0 JJADMO CN1CC[C@@H](CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458448341 1067063910 /nfs/dbraw/zinc/06/39/10/1067063910.db2.gz ODMMGAXLFGRGBB-URXFXBBRSA-N 1 1 458.021 4.890 20 0 JJADMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(OCc3ccccc3)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458449544 1067064159 /nfs/dbraw/zinc/06/41/59/1067064159.db2.gz RWOOYYVEURBXCW-DVECYGJZSA-N 1 1 453.945 4.876 20 0 JJADMO CCC(CC)(Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)OC ZINC001545774018 1067064363 /nfs/dbraw/zinc/06/43/63/1067064363.db2.gz BFGIMWAREFNRIS-UTKZUKDTSA-N 1 1 496.483 4.614 20 0 JJADMO C[N@H+]1CC[C@H](CNC(=O)c2cc(Cl)c3c(c2)OCCCO3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458449860 1067064512 /nfs/dbraw/zinc/06/45/12/1067064512.db2.gz UCKINDYNAFWLBH-VLIAUNLRSA-N 1 1 453.341 4.717 20 0 JJADMO C[N@H+]1CC[C@@H](CNC(=O)c2cc(Cl)c3c(c2)OCCCO3)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458449857 1067064652 /nfs/dbraw/zinc/06/46/52/1067064652.db2.gz UCKINDYNAFWLBH-VBKZILBWSA-N 1 1 453.341 4.717 20 0 JJADMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(OCc3ccccc3)nc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458450715 1067064944 /nfs/dbraw/zinc/06/49/44/1067064944.db2.gz WBBPYORGLVESAE-DVECYGJZSA-N 1 1 453.945 4.876 20 0 JJADMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(OCc3ccccc3)nc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458450739 1067065344 /nfs/dbraw/zinc/06/53/44/1067065344.db2.gz WBBPYORGLVESAE-YADARESESA-N 1 1 453.945 4.876 20 0 JJADMO CCC(CC)(Cn1c(-c2ccccc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545775754 1067069513 /nfs/dbraw/zinc/06/95/13/1067069513.db2.gz JPEVKESPCHRZFL-RBBKRZOGSA-N 1 1 482.673 4.702 20 0 JJADMO Cc1cc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2Br)cn2cc[nH+]c12 ZINC001450352730 1067072716 /nfs/dbraw/zinc/07/27/16/1067072716.db2.gz OMQZDGWYIZRSEZ-QGZVFWFLSA-N 1 1 459.344 4.610 20 0 JJADMO COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)C1 ZINC001458484142 1067073009 /nfs/dbraw/zinc/07/30/09/1067073009.db2.gz KNAVQALHLFJSRN-JKSUJKDBSA-N 1 1 478.540 4.598 20 0 JJADMO CCC(O)(CC)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001546022333 1067074574 /nfs/dbraw/zinc/07/45/74/1067074574.db2.gz CHNNXVKAIRCMEX-HXUWFJFHSA-N 1 1 473.637 4.563 20 0 JJADMO CCC(CC)(Cn1c(CC(C)C)nnc1N1CCC[C@@]2(C1)C[N@H+](Cc1ccccc1)CCO2)OC ZINC001545788164 1067083854 /nfs/dbraw/zinc/08/38/54/1067083854.db2.gz LGKXUENXMOUJDU-NDEPHWFRSA-N 1 1 483.701 4.553 20 0 JJADMO CCC(CC)(Cn1c(CC(C)C)nnc1N1CCC[C@@]2(C1)C[N@@H+](Cc1ccccc1)CCO2)OC ZINC001545788164 1067083869 /nfs/dbraw/zinc/08/38/69/1067083869.db2.gz LGKXUENXMOUJDU-NDEPHWFRSA-N 1 1 483.701 4.553 20 0 JJADMO CCc1nnc(N2CCC[C@H]2c2ccc(OC)c(OC)c2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001546510639 1067085718 /nfs/dbraw/zinc/08/57/18/1067085718.db2.gz JMJHWPAVNLOPBJ-QFIPXVFZSA-N 1 1 455.647 4.854 20 0 JJADMO CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@H]3N(C(=O)OC(C)(C)C)CCCC3(C)C)CC2)cc1 ZINC001450523106 1067086204 /nfs/dbraw/zinc/08/62/04/1067086204.db2.gz MSDJNAUFHMVYPW-HSZRJFAPSA-N 1 1 457.659 4.880 20 0 JJADMO CC[C@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001546102121 1067087890 /nfs/dbraw/zinc/08/78/90/1067087890.db2.gz RQJWIWHYDDHWBS-KPPZHTEDSA-N 1 1 489.749 4.959 20 0 JJADMO CCC(CC)(Cn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1)OC ZINC001545791161 1067088328 /nfs/dbraw/zinc/08/83/28/1067088328.db2.gz JGAKPHXOTFOTNY-UHFFFAOYSA-N 1 1 467.683 4.848 20 0 JJADMO O=C(NCc1ccc(Br)cc1C(F)(F)F)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001458612539 1067095365 /nfs/dbraw/zinc/09/53/65/1067095365.db2.gz DOMYEESZWGFBLH-QGZVFWFLSA-N 1 1 455.318 4.996 20 0 JJADMO CCOc1ccc(C(=O)CCC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)cc1OCC ZINC001545795377 1067095394 /nfs/dbraw/zinc/09/53/94/1067095394.db2.gz FQUPJUHOAARJQY-LEWJYISDSA-N 1 1 452.595 4.568 20 0 JJADMO CCOc1ccc(C(=O)CCC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)cc1OCC ZINC001545795377 1067095411 /nfs/dbraw/zinc/09/54/11/1067095411.db2.gz FQUPJUHOAARJQY-LEWJYISDSA-N 1 1 452.595 4.568 20 0 JJADMO CCOc1ccc(C(=O)CCC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)cc1OCC ZINC001545795378 1067095496 /nfs/dbraw/zinc/09/54/96/1067095496.db2.gz FQUPJUHOAARJQY-NHCUHLMSSA-N 1 1 452.595 4.568 20 0 JJADMO CCOc1ccc(C(=O)CCC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)cc1OCC ZINC001545795378 1067095503 /nfs/dbraw/zinc/09/55/03/1067095503.db2.gz FQUPJUHOAARJQY-NHCUHLMSSA-N 1 1 452.595 4.568 20 0 JJADMO CCC(CC)[C@H](CCn1c(Cc2ccccc2F)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)OC ZINC001545803002 1067111176 /nfs/dbraw/zinc/11/11/76/1067111176.db2.gz GFKSUQUZXYSDAN-APTRMMRNSA-N 1 1 457.638 4.522 20 0 JJADMO CCC(CC)[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCN(CC)[C@@H](C)C1)[NH+](C)C ZINC001545805013 1067117466 /nfs/dbraw/zinc/11/74/66/1067117466.db2.gz GKVOLMLBPARXRG-AVRDEDQJSA-N 1 1 491.522 4.604 20 0 JJADMO C=C1[NH+]=C(SCC(=O)C2(Cl)CC2)N[C@@H](c2ccc(SC)cc2)C1C(=O)OC(C)C ZINC001458728601 1067120981 /nfs/dbraw/zinc/12/09/81/1067120981.db2.gz JNMSLMPEUJWSDK-SFHVURJKSA-N 1 1 453.029 4.708 20 0 JJADMO C=C1[NH+]=C(SCC(=O)C2(Cl)CC2)N[C@H](c2ccc(SC)cc2)C1C(=O)OC(C)C ZINC001458728594 1067121085 /nfs/dbraw/zinc/12/10/85/1067121085.db2.gz JNMSLMPEUJWSDK-GOSISDBHSA-N 1 1 453.029 4.708 20 0 JJADMO C[C@@H]1[C@H](NC(=O)[C@H](F)CN(Cc2ccccc2)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001450801352 1067123318 /nfs/dbraw/zinc/12/33/18/1067123318.db2.gz SDIBCVDOYWYHJD-XTBZXYEFSA-N 1 1 459.609 4.806 20 0 JJADMO CCC(O)(CC)Cn1c(-c2ccc(C)o2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001546026297 1067124057 /nfs/dbraw/zinc/12/40/57/1067124057.db2.gz KKDVLLFVZLINQI-OFNKIYASSA-N 1 1 465.642 4.887 20 0 JJADMO COc1ccc(-c2nc(C)c(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C)s2)cc1OC ZINC001450807645 1067124979 /nfs/dbraw/zinc/12/49/79/1067124979.db2.gz XHFYANGYVIISPI-YLJYHZDGSA-N 1 1 451.592 4.529 20 0 JJADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N(CCCc2ccccc2)c2ccccc2)CC1 ZINC001450834129 1067128364 /nfs/dbraw/zinc/12/83/64/1067128364.db2.gz HOIGLNLPPPNJMH-UHFFFAOYSA-N 1 1 451.611 4.595 20 0 JJADMO Cc1c(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)n(C)nc1C(F)(F)F ZINC001458768393 1067136063 /nfs/dbraw/zinc/13/60/63/1067136063.db2.gz GUCPMZAGBGQSOJ-LEWJYISDSA-N 1 1 456.512 4.910 20 0 JJADMO CC[N@H+]1CCCN(C(=O)c2ccc(C)c(OCc3csc(Br)c3)c2)[C@@H](C)C1 ZINC001450973962 1067137474 /nfs/dbraw/zinc/13/74/74/1067137474.db2.gz GIOPHUJTCVSLEN-INIZCTEOSA-N 1 1 451.430 4.954 20 0 JJADMO CCC(CC)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2ccccc2C)CC1)[NH+](C)C ZINC001545814537 1067142442 /nfs/dbraw/zinc/14/24/42/1067142442.db2.gz CKQLZEGGBDYADJ-FTJBHMTQSA-N 1 1 482.717 4.517 20 0 JJADMO C[N@H+]1CCC[C@@H](CCNC(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)C1 ZINC001451087450 1067145286 /nfs/dbraw/zinc/14/52/86/1067145286.db2.gz LRXRSPOGYDKFMW-INIZCTEOSA-N 1 1 453.384 4.521 20 0 JJADMO CCC(CC)[C@H](Cn1c(C2CCCC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)N1CCOCC1 ZINC001545815741 1067145283 /nfs/dbraw/zinc/14/52/83/1067145283.db2.gz UVYNZRXXDNDUIL-VWLOTQADSA-N 1 1 488.765 4.631 20 0 JJADMO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1 ZINC001451212470 1067154646 /nfs/dbraw/zinc/15/46/46/1067154646.db2.gz VSNKHXZSJXKZLH-UHFFFAOYSA-N 1 1 457.983 4.763 20 0 JJADMO CCC(O)(CC)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001546029631 1067155206 /nfs/dbraw/zinc/15/52/06/1067155206.db2.gz LMWGQZLOUWFLRC-RTWAWAEBSA-N 1 1 457.638 4.726 20 0 JJADMO CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001451254699 1067156209 /nfs/dbraw/zinc/15/62/09/1067156209.db2.gz OGUPICGBQPOFOB-REWPJTCUSA-N 1 1 453.602 4.920 20 0 JJADMO CCC(CC)[C@@H](Cn1c(N2CCC(C(=O)c3ccccc3)CC2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001545819927 1067156642 /nfs/dbraw/zinc/15/66/42/1067156642.db2.gz OWJTVKRPSXSHMH-RUZDIDTESA-N 1 1 495.712 4.812 20 0 JJADMO O=C(NC1CC[NH+](Cc2cccc(Br)c2)CC1)c1c[nH]cc1-c1ccccc1F ZINC001451389912 1067162915 /nfs/dbraw/zinc/16/29/15/1067162915.db2.gz CXBDPOPSVDBADX-UHFFFAOYSA-N 1 1 456.359 4.978 20 0 JJADMO CCC(CC)c1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)on1 ZINC001545823386 1067166365 /nfs/dbraw/zinc/16/63/65/1067166365.db2.gz KWBUCECIWZYSGR-IAGOWNOFSA-N 1 1 472.037 4.852 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2cccs2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001545825931 1067172216 /nfs/dbraw/zinc/17/22/16/1067172216.db2.gz AMXVSQNSTNCMQD-IBGZPJMESA-N 1 1 480.682 4.514 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2C)n1CC[N@@H+]1CCc2sccc2C1 ZINC001545826405 1067173876 /nfs/dbraw/zinc/17/38/76/1067173876.db2.gz MEKRWNHVCACPDW-HXUWFJFHSA-N 1 1 494.709 4.822 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2C)n1CC[N@H+]1CCc2sccc2C1 ZINC001545826405 1067173878 /nfs/dbraw/zinc/17/38/78/1067173878.db2.gz MEKRWNHVCACPDW-HXUWFJFHSA-N 1 1 494.709 4.822 20 0 JJADMO CCCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)c(OCCC)c1 ZINC001458879138 1067184395 /nfs/dbraw/zinc/18/43/95/1067184395.db2.gz RGBDSCLDWTVIAK-DQEYMECFSA-N 1 1 459.675 4.673 20 0 JJADMO CN(C(=O)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001458881058 1067184937 /nfs/dbraw/zinc/18/49/37/1067184937.db2.gz UUCAJXTWYBJUHE-VSYWRSJOSA-N 1 1 450.042 4.768 20 0 JJADMO CCC1(CC)CCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001546104562 1067189794 /nfs/dbraw/zinc/18/97/94/1067189794.db2.gz BENAXMLUYCGBAF-SFHVURJKSA-N 1 1 477.495 4.795 20 0 JJADMO CC(=O)CCc1ccc2oc(C(=O)NC[C@H]3CSCC[N@@H+]3Cc3ccccc3)c(C)c2c1 ZINC001458912611 1067194851 /nfs/dbraw/zinc/19/48/51/1067194851.db2.gz JIUZAVAKAZUEMQ-QFIPXVFZSA-N 1 1 450.604 4.610 20 0 JJADMO CC(=O)CCc1ccc2oc(C(=O)NC[C@H]3CSCC[N@H+]3Cc3ccccc3)c(C)c2c1 ZINC001458912611 1067194856 /nfs/dbraw/zinc/19/48/56/1067194856.db2.gz JIUZAVAKAZUEMQ-QFIPXVFZSA-N 1 1 450.604 4.610 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001545849429 1067203163 /nfs/dbraw/zinc/20/31/63/1067203163.db2.gz OLDBDTHSDOWWAU-RTWAWAEBSA-N 1 1 468.690 4.710 20 0 JJADMO CC(C)N(C(=O)/C=C/[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001452138259 1067208964 /nfs/dbraw/zinc/20/89/64/1067208964.db2.gz QZAXZIKAGWMQGU-SILAICFJSA-N 1 1 455.643 4.701 20 0 JJADMO Cn1c(C(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001452180128 1067212809 /nfs/dbraw/zinc/21/28/09/1067212809.db2.gz RSBBEPUONRGVNW-GPXNEJASSA-N 1 1 480.653 4.562 20 0 JJADMO Cc1cc(F)ccc1-c1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1F ZINC001458974595 1067214307 /nfs/dbraw/zinc/21/43/07/1067214307.db2.gz PDSKRWJJEZGOMH-QHCPKHFHSA-N 1 1 450.529 4.961 20 0 JJADMO CCc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001458973148 1067214379 /nfs/dbraw/zinc/21/43/79/1067214379.db2.gz KNTDTAOREZKRLE-LJQANCHMSA-N 1 1 453.970 4.578 20 0 JJADMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC001458976041 1067214652 /nfs/dbraw/zinc/21/46/52/1067214652.db2.gz WCNCXBVUSVHKGU-NRFANRHFSA-N 1 1 458.480 4.986 20 0 JJADMO CCC(O)(CC)Cn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001546038352 1067221874 /nfs/dbraw/zinc/22/18/74/1067221874.db2.gz KBQMWHYBLLMFQK-HSZRJFAPSA-N 1 1 467.683 4.582 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(CN(C)C(=O)c3ccc(C(=O)OC(C)(C)C)cc3)cc2)C[C@H](C)O1 ZINC001452689872 1067244523 /nfs/dbraw/zinc/24/45/23/1067244523.db2.gz IIMYXGJPNSMQAK-BGYRXZFFSA-N 1 1 452.595 4.523 20 0 JJADMO CCC(O)(CC)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001546042870 1067247999 /nfs/dbraw/zinc/24/79/99/1067247999.db2.gz AHHOWBMABZWQAY-ICDZXHCJSA-N 1 1 497.728 4.849 20 0 JJADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)COc2ccc(Cl)c(Br)c2)CC1 ZINC001459090094 1067249337 /nfs/dbraw/zinc/24/93/37/1067249337.db2.gz UDZCPAASSBDTRF-UHFFFAOYSA-N 1 1 451.792 4.524 20 0 JJADMO C[C@@H]1Cc2[nH+]cn(CC(=O)Nc3ccc(Oc4ccc(Br)cc4)nc3)c2C[C@H]1C ZINC001459102273 1067251111 /nfs/dbraw/zinc/25/11/11/1067251111.db2.gz CNPZFOWQZIYPQQ-HUUCEWRRSA-N 1 1 455.356 4.842 20 0 JJADMO C[N@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1NC1CCC1 ZINC001452818866 1067255764 /nfs/dbraw/zinc/25/57/64/1067255764.db2.gz OHGGUNKXYLVBHJ-HSZRJFAPSA-N 1 1 452.599 4.615 20 0 JJADMO Cc1cc(Br)c2c(c1)CN(C(=O)c1ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc1)CC2 ZINC001459238843 1067276089 /nfs/dbraw/zinc/27/60/89/1067276089.db2.gz AJRHEIMAWOJLOK-QZTJIDSGSA-N 1 1 457.412 4.565 20 0 JJADMO CC(C)(C)OC(=O)N1Cc2cccc(NC(=O)[C@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)c2C1 ZINC001453162609 1067284964 /nfs/dbraw/zinc/28/49/64/1067284964.db2.gz IDBNBAOCVXNIKP-FQEVSTJZSA-N 1 1 453.558 4.927 20 0 JJADMO CCN(C(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1)[C@@H]1CC[N@@H+](CC)C1 ZINC001453178800 1067287511 /nfs/dbraw/zinc/28/75/11/1067287511.db2.gz PEXUVBZFEYLUMM-HXUWFJFHSA-N 1 1 457.500 4.509 20 0 JJADMO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C[N@H+]1CCC[C@H]1c1cccc(Br)c1)O2 ZINC001459316665 1067292224 /nfs/dbraw/zinc/29/22/24/1067292224.db2.gz BKUWTBAYIPROHA-MOPGFXCFSA-N 1 1 451.405 4.755 20 0 JJADMO Cc1ccc(S(=O)(=O)N[C@@H](C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)c2ccccc2)cc1 ZINC001459350427 1067300530 /nfs/dbraw/zinc/30/05/30/1067300530.db2.gz XQGGRMHTCNVDBP-AHWVRZQESA-N 1 1 452.595 4.861 20 0 JJADMO COc1cccc(C[N@@H+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C[C@@H]2CCCO2)c1 ZINC001459355754 1067302289 /nfs/dbraw/zinc/30/22/89/1067302289.db2.gz RBMQVGBRCXMHTC-JXFKEZNVSA-N 1 1 451.394 4.860 20 0 JJADMO COc1cccc(C[N@H+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C[C@@H]2CCCO2)c1 ZINC001459355754 1067302299 /nfs/dbraw/zinc/30/22/99/1067302299.db2.gz RBMQVGBRCXMHTC-JXFKEZNVSA-N 1 1 451.394 4.860 20 0 JJADMO COCC[N@H+](CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)Cc1ccc(C)cc1C ZINC001459360983 1067302663 /nfs/dbraw/zinc/30/26/63/1067302663.db2.gz FUEFSXOKOGKSFI-UHFFFAOYSA-N 1 1 451.592 4.704 20 0 JJADMO COCC[N@@H+](CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)Cc1ccc(C)cc1C ZINC001459360983 1067302675 /nfs/dbraw/zinc/30/26/75/1067302675.db2.gz FUEFSXOKOGKSFI-UHFFFAOYSA-N 1 1 451.592 4.704 20 0 JJADMO CC(C)(C)c1nc(CN2CC[NH+](CCOc3cc(F)cc(Br)c3)CC2)cs1 ZINC001459364948 1067304005 /nfs/dbraw/zinc/30/40/05/1067304005.db2.gz XAOWGMHGVQQGMA-UHFFFAOYSA-N 1 1 456.425 4.539 20 0 JJADMO Cc1ccccc1C[N@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccccc1 ZINC001459378890 1067307811 /nfs/dbraw/zinc/30/78/11/1067307811.db2.gz ZOOYYRDRVVVVCJ-UHFFFAOYSA-N 1 1 459.546 4.507 20 0 JJADMO Cc1ccccc1C[N@@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccccc1 ZINC001459378890 1067307824 /nfs/dbraw/zinc/30/78/24/1067307824.db2.gz ZOOYYRDRVVVVCJ-UHFFFAOYSA-N 1 1 459.546 4.507 20 0 JJADMO COc1cccc(S(=O)(=O)CC[N@@H+](Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@H](C)[C@@H]2C)c1 ZINC001459388301 1067310664 /nfs/dbraw/zinc/31/06/64/1067310664.db2.gz AWLMZMQYLQIKED-SFYKDHMMSA-N 1 1 459.608 4.525 20 0 JJADMO COCc1ccccc1CNC(=O)C[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@H](C)[C@@H]1C ZINC001459392050 1067311254 /nfs/dbraw/zinc/31/12/54/1067311254.db2.gz LBRVZVJNASGKDB-MZLICYQSSA-N 1 1 452.595 4.505 20 0 JJADMO C[N@@H+](C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001459401934 1067313934 /nfs/dbraw/zinc/31/39/34/1067313934.db2.gz WFCHGTPUFQRLNA-HJOGWXRNSA-N 1 1 458.643 4.892 20 0 JJADMO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cc1cc(C)c(I)cc1C ZINC001459422534 1067320995 /nfs/dbraw/zinc/32/09/95/1067320995.db2.gz VWYYRVQNEYTASO-QGZVFWFLSA-N 1 1 451.348 4.719 20 0 JJADMO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1 ZINC001459439687 1067325689 /nfs/dbraw/zinc/32/56/89/1067325689.db2.gz IIIUTQFPLDDHHE-WZONZLPQSA-N 1 1 450.501 4.862 20 0 JJADMO Cc1ccc(NC(=O)C[N@H+](Cc2ccccc2)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1F ZINC001459460745 1067329616 /nfs/dbraw/zinc/32/96/16/1067329616.db2.gz WVRIZDVYVCFFRW-JOCHJYFZSA-N 1 1 455.574 4.974 20 0 JJADMO Cc1ccc(NC(=O)C[N@@H+](Cc2ccccc2)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1F ZINC001459460745 1067329634 /nfs/dbraw/zinc/32/96/34/1067329634.db2.gz WVRIZDVYVCFFRW-JOCHJYFZSA-N 1 1 455.574 4.974 20 0 JJADMO C[N@@H+](C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001459484898 1067336606 /nfs/dbraw/zinc/33/66/06/1067336606.db2.gz JKFGXYFCFAVWGO-XAUMDUMWSA-N 1 1 463.418 4.559 20 0 JJADMO C[C@@H]1C[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001459489207 1067336983 /nfs/dbraw/zinc/33/69/83/1067336983.db2.gz OTEIUNMTSRLEGU-SELNLUPBSA-N 1 1 457.640 4.674 20 0 JJADMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2cc(F)ccc2C)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001459508425 1067341132 /nfs/dbraw/zinc/34/11/32/1067341132.db2.gz BDNUZTDKUIYKTP-DHIUTWEWSA-N 1 1 455.574 4.974 20 0 JJADMO CCc1ccc(C[NH+]2CCN([C@H](C)C(=O)Nc3ccc(Br)c(C)c3)CC2)s1 ZINC001459510540 1067341611 /nfs/dbraw/zinc/34/16/11/1067341611.db2.gz CVUDAXPJNPGXSH-MRXNPFEDSA-N 1 1 450.446 4.526 20 0 JJADMO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC001459529085 1067345479 /nfs/dbraw/zinc/34/54/79/1067345479.db2.gz RUMGXVXVFHPEAI-KRWDZBQOSA-N 1 1 454.412 4.641 20 0 JJADMO Cc1cccc(OC[C@H](O)C[N@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C(C)C)c1 ZINC001459548011 1067349006 /nfs/dbraw/zinc/34/90/06/1067349006.db2.gz GPRDGRVSKCMZGY-RUZDIDTESA-N 1 1 458.602 4.909 20 0 JJADMO Cc1cccc(OC[C@H](O)C[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C(C)C)c1 ZINC001459548011 1067349020 /nfs/dbraw/zinc/34/90/20/1067349020.db2.gz GPRDGRVSKCMZGY-RUZDIDTESA-N 1 1 458.602 4.909 20 0 JJADMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]([C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC001459582209 1067356377 /nfs/dbraw/zinc/35/63/77/1067356377.db2.gz MPJCRVJWIWUVOX-NVXWUHKLSA-N 1 1 456.484 4.758 20 0 JJADMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]([C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC001459582213 1067357102 /nfs/dbraw/zinc/35/71/02/1067357102.db2.gz MPJCRVJWIWUVOX-WBVHZDCISA-N 1 1 456.484 4.758 20 0 JJADMO CS(=O)(=O)c1ccc(F)c(NC(=O)C[N@H+](C2CC2)[C@@H]2CCCC[C@@H]2C2CCCCC2)c1 ZINC001459594276 1067359346 /nfs/dbraw/zinc/35/93/46/1067359346.db2.gz MENAIZXGTBZKHY-NFBKMPQASA-N 1 1 450.620 4.771 20 0 JJADMO CS(=O)(=O)c1ccc(F)c(NC(=O)C[N@@H+](C2CC2)[C@@H]2CCCC[C@@H]2C2CCCCC2)c1 ZINC001459594276 1067359354 /nfs/dbraw/zinc/35/93/54/1067359354.db2.gz MENAIZXGTBZKHY-NFBKMPQASA-N 1 1 450.620 4.771 20 0 JJADMO Cc1ccc(CNC(=O)C2CC[NH+](Cc3nnc(-c4ccc(Cl)cc4Cl)o3)CC2)cc1 ZINC001459603633 1067360649 /nfs/dbraw/zinc/36/06/49/1067360649.db2.gz TXBHERLMOLJYCI-UHFFFAOYSA-N 1 1 459.377 4.880 20 0 JJADMO O=C(C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1)NCc1ccc(OC(F)(F)F)cc1 ZINC001459604570 1067361384 /nfs/dbraw/zinc/36/13/84/1067361384.db2.gz AJWBHFHNGVZOQO-PKOBYXMFSA-N 1 1 456.530 4.631 20 0 JJADMO C[C@H]1CCC[N@H+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@H]1CNC(=O)OC(C)(C)C ZINC001459607303 1067362081 /nfs/dbraw/zinc/36/20/81/1067362081.db2.gz HZPPHOQPSZQQQQ-KXBFYZLASA-N 1 1 458.430 4.577 20 0 JJADMO C[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@H]1CNC(=O)OC(C)(C)C ZINC001459607303 1067362093 /nfs/dbraw/zinc/36/20/93/1067362093.db2.gz HZPPHOQPSZQQQQ-KXBFYZLASA-N 1 1 458.430 4.577 20 0 JJADMO O=C(C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1)NCc1ccc(F)cc1C(F)(F)F ZINC001459611807 1067363627 /nfs/dbraw/zinc/36/36/27/1067363627.db2.gz YHYUYFBBTVGMRJ-PKOBYXMFSA-N 1 1 458.521 4.891 20 0 JJADMO CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2cc(-c3cc(C)ccc3C)nn2-c2ccccc2)C[C@H]1C ZINC001459613026 1067364222 /nfs/dbraw/zinc/36/42/22/1067364222.db2.gz JJBCXRGUPHPFFY-ISKFKSNPSA-N 1 1 459.638 4.899 20 0 JJADMO COC(=O)CCC1CC[NH+](CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)CC1 ZINC001459622330 1067366900 /nfs/dbraw/zinc/36/69/00/1067366900.db2.gz RQIBTAOEPZUPRZ-UHFFFAOYSA-N 1 1 451.592 4.875 20 0 JJADMO CCN(C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2nc(-c3ccc(C)cc3)cs2)C1)CC(F)(F)F ZINC001459631158 1067369032 /nfs/dbraw/zinc/36/90/32/1067369032.db2.gz KSFIVNGDKSIZQT-IRXDYDNUSA-N 1 1 454.562 4.652 20 0 JJADMO CCN(C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2nc(-c3ccc(C)cc3)cs2)C1)CC(F)(F)F ZINC001459631158 1067369043 /nfs/dbraw/zinc/36/90/43/1067369043.db2.gz KSFIVNGDKSIZQT-IRXDYDNUSA-N 1 1 454.562 4.652 20 0 JJADMO CCOC(=O)c1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](c3ccccc3OC)C2)sc2c1CCCC2 ZINC001459647998 1067371615 /nfs/dbraw/zinc/37/16/15/1067371615.db2.gz XJOIGFDKSPTZQB-IRXDYDNUSA-N 1 1 456.608 4.629 20 0 JJADMO CCOC(=O)c1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3ccccc3OC)C2)sc2c1CCCC2 ZINC001459647998 1067371625 /nfs/dbraw/zinc/37/16/25/1067371625.db2.gz XJOIGFDKSPTZQB-IRXDYDNUSA-N 1 1 456.608 4.629 20 0 JJADMO O=C(NC[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1)c1ccccc1 ZINC001459651315 1067372013 /nfs/dbraw/zinc/37/20/13/1067372013.db2.gz HOMOBUFADGPOLS-QGZVFWFLSA-N 1 1 454.368 4.746 20 0 JJADMO O=C(NC[C@H]1CCC[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1)c1ccccc1 ZINC001459651315 1067372023 /nfs/dbraw/zinc/37/20/23/1067372023.db2.gz HOMOBUFADGPOLS-QGZVFWFLSA-N 1 1 454.368 4.746 20 0 JJADMO COc1ccc(C[C@H]2CC[N@H+]2[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)cc1 ZINC001459660622 1067374171 /nfs/dbraw/zinc/37/41/71/1067374171.db2.gz ZJUPVYDXSFJFLZ-IRLDBZIGSA-N 1 1 457.412 4.887 20 0 JJADMO COc1ccc(C[C@@H]2CC[N@H+]2[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)cc1 ZINC001459660623 1067374214 /nfs/dbraw/zinc/37/42/14/1067374214.db2.gz ZJUPVYDXSFJFLZ-RBBKRZOGSA-N 1 1 457.412 4.887 20 0 JJADMO CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2cc(-c3cc(C)cc(C)c3)nn2-c2ccccc2)[C@@H](C)C1 ZINC001459671960 1067379264 /nfs/dbraw/zinc/37/92/64/1067379264.db2.gz WTZCSELQTGIOOS-NVQXNPDNSA-N 1 1 459.638 4.757 20 0 JJADMO Cc1cccc(Oc2ccc(NC(=O)C[N@@H+]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)cc2)c1 ZINC001459672217 1067379349 /nfs/dbraw/zinc/37/93/49/1067379349.db2.gz OVVHAAOKMLQBQG-CVDCTZTESA-N 1 1 453.583 4.961 20 0 JJADMO Cc1cccc(Oc2ccc(NC(=O)C[N@H+]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)cc2)c1 ZINC001459672217 1067379363 /nfs/dbraw/zinc/37/93/63/1067379363.db2.gz OVVHAAOKMLQBQG-CVDCTZTESA-N 1 1 453.583 4.961 20 0 JJADMO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC001459672249 1067379402 /nfs/dbraw/zinc/37/94/02/1067379402.db2.gz YMZZXSOWUCBSDG-IBGZPJMESA-N 1 1 454.014 4.879 20 0 JJADMO CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C[N@H+](CC)CCc1ccccn1 ZINC001459678896 1067381479 /nfs/dbraw/zinc/38/14/79/1067381479.db2.gz XNXCQESQMUXVDQ-UHFFFAOYSA-N 1 1 451.592 4.798 20 0 JJADMO CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C[N@@H+](CC)CCc1ccccn1 ZINC001459678896 1067381488 /nfs/dbraw/zinc/38/14/88/1067381488.db2.gz XNXCQESQMUXVDQ-UHFFFAOYSA-N 1 1 451.592 4.798 20 0 JJADMO Cc1cc(C)c(CCNC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)c(C)c1 ZINC001459684498 1067382547 /nfs/dbraw/zinc/38/25/47/1067382547.db2.gz IMGMEOMMHCYFRB-DNQXCXABSA-N 1 1 457.659 4.525 20 0 JJADMO Cc1cc(C)c(CCNC(=O)C[N@H+]2CCCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)c(C)c1 ZINC001459684504 1067382592 /nfs/dbraw/zinc/38/25/92/1067382592.db2.gz IMGMEOMMHCYFRB-ZEQRLZLVSA-N 1 1 457.659 4.525 20 0 JJADMO Cc1cc(=O)oc2cc(OCC[N@H+]3CCCC[C@@H]3[C@@H]3CCCN3C(=O)OC(C)(C)C)ccc12 ZINC001459686321 1067383527 /nfs/dbraw/zinc/38/35/27/1067383527.db2.gz NJXPOHIPFDFFQH-YADHBBJMSA-N 1 1 456.583 4.734 20 0 JJADMO CC(C)(C)OC(=O)N1CC[N@@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C2(CCCCC2)C1 ZINC001459696986 1067387074 /nfs/dbraw/zinc/38/70/74/1067387074.db2.gz JRGIWSDPDVGUBG-IBGZPJMESA-N 1 1 456.549 4.864 20 0 JJADMO CC[C@H](C)[N@@H+](CCC(=O)Nc1ccc(Br)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC001459698257 1067387367 /nfs/dbraw/zinc/38/73/67/1067387367.db2.gz YGJNPHSYVSQJBG-HNNXBMFYSA-N 1 1 457.372 4.727 20 0 JJADMO Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001459709421 1067390670 /nfs/dbraw/zinc/39/06/70/1067390670.db2.gz UDQZEJXEKLVBRB-LJAQVGFWSA-N 1 1 458.650 4.818 20 0 JJADMO Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001459709420 1067390692 /nfs/dbraw/zinc/39/06/92/1067390692.db2.gz UDQZEJXEKLVBRB-GDLZYMKVSA-N 1 1 458.650 4.818 20 0 JJADMO CCOC(=O)C[C@H](c1ccccc1)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)CC1 ZINC001459716505 1067394365 /nfs/dbraw/zinc/39/43/65/1067394365.db2.gz LUSUSCVJXQXCMQ-UQBPGWFLSA-N 1 1 450.579 4.665 20 0 JJADMO COc1ccc([C@H](CNC(=O)C[N@H+](C)[C@H](C)c2cccc(O)c2)c2c[nH]c3ccccc32)cc1 ZINC001459718412 1067394688 /nfs/dbraw/zinc/39/46/88/1067394688.db2.gz KJTUVVZXMGSCJW-CLOONOSVSA-N 1 1 457.574 4.823 20 0 JJADMO COc1ccc([C@H](CNC(=O)C[N@@H+](C)[C@H](C)c2cccc(O)c2)c2c[nH]c3ccccc32)cc1 ZINC001459718412 1067394694 /nfs/dbraw/zinc/39/46/94/1067394694.db2.gz KJTUVVZXMGSCJW-CLOONOSVSA-N 1 1 457.574 4.823 20 0 JJADMO C[C@H](c1ccccc1)[N@H+](CC(N)=O)C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001459719421 1067395189 /nfs/dbraw/zinc/39/51/89/1067395189.db2.gz KFGRKDNRTUGMFN-HXOBKFHXSA-N 1 1 453.380 4.698 20 0 JJADMO CCCCn1c(C[N@H+]2CCCC[C@H]2CC(C)C)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC001459724093 1067396407 /nfs/dbraw/zinc/39/64/07/1067396407.db2.gz VEUSTJVTTNXWPZ-NRFANRHFSA-N 1 1 451.615 4.548 20 0 JJADMO CCCCn1c(C[N@H+]2CCCC[C@@H]2CC(C)C)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC001459724095 1067396434 /nfs/dbraw/zinc/39/64/34/1067396434.db2.gz VEUSTJVTTNXWPZ-OAQYLSRUSA-N 1 1 451.615 4.548 20 0 JJADMO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001459744264 1067403357 /nfs/dbraw/zinc/40/33/57/1067403357.db2.gz WJAAAPRVBUWSIR-STQMWFEESA-N 1 1 455.773 4.720 20 0 JJADMO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001459744264 1067403360 /nfs/dbraw/zinc/40/33/60/1067403360.db2.gz WJAAAPRVBUWSIR-STQMWFEESA-N 1 1 455.773 4.720 20 0 JJADMO COc1ccc([C@H]([NH2+]CC(=O)N(C)Cc2ccccc2)c2ccccc2)cc1Br ZINC001459755198 1067408523 /nfs/dbraw/zinc/40/85/23/1067408523.db2.gz SSAZWZRLHNOYDZ-XMMPIXPASA-N 1 1 453.380 4.795 20 0 JJADMO Cc1ccc(CN2CCCN(C(=O)C[N@H+](CCc3ccc(F)cc3)C3CCCC3)CC2)cc1 ZINC001459771291 1067415430 /nfs/dbraw/zinc/41/54/30/1067415430.db2.gz XEOLXISXVSXTRK-UHFFFAOYSA-N 1 1 451.630 4.656 20 0 JJADMO Cc1ccc(CN2CCCN(C(=O)C[N@@H+](CCc3ccc(F)cc3)C3CCCC3)CC2)cc1 ZINC001459771291 1067415434 /nfs/dbraw/zinc/41/54/34/1067415434.db2.gz XEOLXISXVSXTRK-UHFFFAOYSA-N 1 1 451.630 4.656 20 0 JJADMO CCOc1ccc(C2=CC[N@H+](CC(=O)N3CCC[C@@H]3c3ccc(OC)c(OC)c3)CC2)cc1 ZINC001459779427 1067417841 /nfs/dbraw/zinc/41/78/41/1067417841.db2.gz MTRSKQDXWQQPNL-XMMPIXPASA-N 1 1 450.579 4.555 20 0 JJADMO CCOc1ccc(C2=CC[N@@H+](CC(=O)N3CCC[C@@H]3c3ccc(OC)c(OC)c3)CC2)cc1 ZINC001459779427 1067417844 /nfs/dbraw/zinc/41/78/44/1067417844.db2.gz MTRSKQDXWQQPNL-XMMPIXPASA-N 1 1 450.579 4.555 20 0 JJADMO O=C(C[N@H+]([C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCC[C@@H](C(F)(F)F)C1)Nc1cnccn1 ZINC001459781049 1067418224 /nfs/dbraw/zinc/41/82/24/1067418224.db2.gz YZUYRTWCKQVMBV-SYMSYNOKSA-N 1 1 452.443 4.959 20 0 JJADMO C[N@H+](Cc1ccccc1)C[C@@H](CN1CCN(C(=O)OCc2ccccc2)CC1)c1ccccc1 ZINC001459783214 1067419933 /nfs/dbraw/zinc/41/99/33/1067419933.db2.gz CJPABLSKPWFAMC-NDEPHWFRSA-N 1 1 457.618 4.857 20 0 JJADMO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](Cc2ccc(OC)c(OC)c2)C2CCCCC2)c1C ZINC001459783472 1067419966 /nfs/dbraw/zinc/41/99/66/1067419966.db2.gz BONUFCNGYCJOGQ-UHFFFAOYSA-N 1 1 456.583 4.843 20 0 JJADMO C[C@@H](c1ccccc1)[N@H+](CCO)CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC001459794311 1067426655 /nfs/dbraw/zinc/42/66/55/1067426655.db2.gz XCIZOZXBOPGJBF-SFHVURJKSA-N 1 1 451.954 4.586 20 0 JJADMO C[C@@H](c1ccccc1)[N@@H+](CCO)CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC001459794311 1067426657 /nfs/dbraw/zinc/42/66/57/1067426657.db2.gz XCIZOZXBOPGJBF-SFHVURJKSA-N 1 1 451.954 4.586 20 0 JJADMO Cn1ccc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2cccc(OCc3ccccc3)c2)cc1=O ZINC001459795820 1067427693 /nfs/dbraw/zinc/42/76/93/1067427693.db2.gz AKVBOZZVSKUIGU-MUUNZHRXSA-N 1 1 454.570 4.700 20 0 JJADMO C[N@H+](CC(=O)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1)CC1(O)CCCC1 ZINC001459796563 1067427710 /nfs/dbraw/zinc/42/77/10/1067427710.db2.gz JHFPKCAFMONMKR-UHFFFAOYSA-N 1 1 453.583 4.719 20 0 JJADMO C[N@@H+](CC(=O)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1)CC1(O)CCCC1 ZINC001459796563 1067427714 /nfs/dbraw/zinc/42/77/14/1067427714.db2.gz JHFPKCAFMONMKR-UHFFFAOYSA-N 1 1 453.583 4.719 20 0 JJADMO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001459807342 1067432303 /nfs/dbraw/zinc/43/23/03/1067432303.db2.gz ZNDZSJBLNJDISZ-JYYAWHABSA-N 1 1 456.414 4.946 20 0 JJADMO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001459807342 1067432309 /nfs/dbraw/zinc/43/23/09/1067432309.db2.gz ZNDZSJBLNJDISZ-JYYAWHABSA-N 1 1 456.414 4.946 20 0 JJADMO CCC[C@@H]1CN([C@H]2CCc3cc(Br)ccc3NC2=O)CC[N@H+]1Cc1ccccc1 ZINC001459812188 1067433960 /nfs/dbraw/zinc/43/39/60/1067433960.db2.gz CIFYAVPNKFMTTF-GGAORHGYSA-N 1 1 456.428 4.689 20 0 JJADMO COc1cccc([C@H]2[C@H](c3ccccc3)CC[N@@H+]2Cc2cc(Cl)cc(S(N)(=O)=O)c2)c1 ZINC001459812381 1067434371 /nfs/dbraw/zinc/43/43/71/1067434371.db2.gz GSNPXTQRSOBZOH-ZEQRLZLVSA-N 1 1 456.995 4.727 20 0 JJADMO COc1cccc([C@H]2[C@H](c3ccccc3)CC[N@H+]2Cc2cc(Cl)cc(S(N)(=O)=O)c2)c1 ZINC001459812381 1067434374 /nfs/dbraw/zinc/43/43/74/1067434374.db2.gz GSNPXTQRSOBZOH-ZEQRLZLVSA-N 1 1 456.995 4.727 20 0 JJADMO CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CC[N@H+]1C[C@@H](O)c1cc(OC)ccc1OC ZINC001459819654 1067437637 /nfs/dbraw/zinc/43/76/37/1067437637.db2.gz IMZBUSQOPPUMEZ-DENIHFKCSA-N 1 1 452.517 4.747 20 0 JJADMO COc1ccc(NC(=O)C[N@@H+](Cc2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@@H]2C)c(OC)c1 ZINC001459831392 1067444372 /nfs/dbraw/zinc/44/43/72/1067444372.db2.gz CRRDNYPFJXCVGQ-PGRDOPGGSA-N 1 1 456.583 4.740 20 0 JJADMO CC(C)(C)OC(=O)N1C[C@H]([N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)[C@@H](O)c2ccccc21 ZINC001459835237 1067445957 /nfs/dbraw/zinc/44/59/57/1067445957.db2.gz LCHULOQLVJESPS-DLTYFMDKSA-N 1 1 456.558 4.571 20 0 JJADMO Cc1ccc(CN2CCCN(C(=O)C[NH2+][C@@H](CCc3ccccc3)c3ccccc3)CC2)cc1 ZINC001459839819 1067448218 /nfs/dbraw/zinc/44/82/18/1067448218.db2.gz CVUNXWLWBWCSLJ-LJAQVGFWSA-N 1 1 455.646 4.993 20 0 JJADMO Cc1ccc2sc(N(Cc3ccccc3)C(=O)C[N@H+](C)C[C@@H]3CCCC[C@H]3O)nc2c1C ZINC001459842641 1067449609 /nfs/dbraw/zinc/44/96/09/1067449609.db2.gz UMZCAYZUARZHNA-FCHUYYIVSA-N 1 1 451.636 4.929 20 0 JJADMO Cc1ccc2sc(N(Cc3ccccc3)C(=O)C[N@@H+](C)C[C@@H]3CCCC[C@H]3O)nc2c1C ZINC001459842641 1067449612 /nfs/dbraw/zinc/44/96/12/1067449612.db2.gz UMZCAYZUARZHNA-FCHUYYIVSA-N 1 1 451.636 4.929 20 0 JJADMO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1Cl)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC001459847383 1067452455 /nfs/dbraw/zinc/45/24/55/1067452455.db2.gz BNJVCOHLZOUWMV-MELADBBJSA-N 1 1 457.785 4.984 20 0 JJADMO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1Cl)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC001459847381 1067452528 /nfs/dbraw/zinc/45/25/28/1067452528.db2.gz BNJVCOHLZOUWMV-IHRRRGAJSA-N 1 1 457.785 4.984 20 0 JJADMO Cc1ccsc1CNC(=O)C[NH2+][C@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC001459847596 1067453088 /nfs/dbraw/zinc/45/30/88/1067453088.db2.gz DJVGWBVEGWOEJK-OAQYLSRUSA-N 1 1 453.608 4.682 20 0 JJADMO CCOC(=O)C1C(C[NH2+][C@H](c2ccccc2C)C(C)C)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001459850088 1067455117 /nfs/dbraw/zinc/45/51/17/1067455117.db2.gz NASRGFJXJXYMMQ-XZOQPEGZSA-N 1 1 455.986 4.806 20 0 JJADMO Cc1ccc(-c2csc(NC(=O)[C@H](C)[N@@H+]3CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2)cc1 ZINC001459863102 1067462488 /nfs/dbraw/zinc/46/24/88/1067462488.db2.gz PACDZLHSASNJGW-AOIWGVFYSA-N 1 1 458.628 4.681 20 0 JJADMO Cc1ccc(-c2csc(NC(=O)[C@H](C)[N@H+]3CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2)cc1 ZINC001459863102 1067462493 /nfs/dbraw/zinc/46/24/93/1067462493.db2.gz PACDZLHSASNJGW-AOIWGVFYSA-N 1 1 458.628 4.681 20 0 JJADMO CC(C)c1sc(NC(=O)C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)nc1-c1ccccc1 ZINC001459866953 1067464764 /nfs/dbraw/zinc/46/47/64/1067464764.db2.gz YYJKALPZVFVQEL-INIZCTEOSA-N 1 1 457.621 4.626 20 0 JJADMO C[C@H]([NH2+]Cc1cc(Cl)ccc1I)c1cccc(N2CCCC2=O)c1 ZINC001459870291 1067466812 /nfs/dbraw/zinc/46/68/12/1067466812.db2.gz ZPZVVALDRNSIFI-ZDUSSCGKSA-N 1 1 454.739 4.922 20 0 JJADMO C[N@@H+](Cc1ccc(S(=O)(=O)NC2CC2)cc1)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001459870062 1067466935 /nfs/dbraw/zinc/46/69/35/1067466935.db2.gz NMFVYFZNKJULBX-FCHUYYIVSA-N 1 1 452.542 4.914 20 0 JJADMO COc1cccc(OC)c1OC[C@H](O)C[N@@H+](C)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001459871313 1067467240 /nfs/dbraw/zinc/46/72/40/1067467240.db2.gz REVYSOUHTAZJPY-AABGKKOBSA-N 1 1 453.501 4.730 20 0 JJADMO CCC1(CC)CCN(c2nnc(COc3ccc(C)cc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546112602 1067481422 /nfs/dbraw/zinc/48/14/22/1067481422.db2.gz XPWPSXOZAUJNQE-ZRZAMGCNSA-N 1 1 469.674 4.681 20 0 JJADMO O=C(C[N@@H+](CCCOc1ccccc1)C1CCOCC1)Nc1nc(-c2cccs2)cs1 ZINC001459905119 1067482505 /nfs/dbraw/zinc/48/25/05/1067482505.db2.gz JJJORPQIWZBTFA-UHFFFAOYSA-N 1 1 457.621 4.760 20 0 JJADMO Cc1ccccc1C([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccccc1C ZINC001459910168 1067485854 /nfs/dbraw/zinc/48/58/54/1067485854.db2.gz VMOSKNPEFYRUKZ-UHFFFAOYSA-N 1 1 456.995 4.678 20 0 JJADMO CC(C)(C)OC(=O)c1cccc(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 ZINC001459931887 1067496381 /nfs/dbraw/zinc/49/63/81/1067496381.db2.gz HNPGMEBBAQQFRI-NRFANRHFSA-N 1 1 452.599 4.873 20 0 JJADMO COc1ccccc1-c1nc(C2CC[NH+]([C@H](C)C(=O)Nc3ccc(Cl)cc3C)CC2)no1 ZINC001459931332 1067496446 /nfs/dbraw/zinc/49/64/46/1067496446.db2.gz MQKWBSSWSGQYGU-MRXNPFEDSA-N 1 1 454.958 4.914 20 0 JJADMO COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)[NH2+][C@H](c1ncc(C)s1)C1CC1 ZINC001459931962 1067496962 /nfs/dbraw/zinc/49/69/62/1067496962.db2.gz IYHKKSPHCPHEJZ-UGSOOPFHSA-N 1 1 457.518 4.563 20 0 JJADMO Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCC[N@@H+]1C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001459937010 1067499188 /nfs/dbraw/zinc/49/91/88/1067499188.db2.gz ZVICPGNEEXHAIC-VXNXHJTFSA-N 1 1 468.642 4.615 20 0 JJADMO Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCC[N@H+]1C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001459937010 1067499192 /nfs/dbraw/zinc/49/91/92/1067499192.db2.gz ZVICPGNEEXHAIC-VXNXHJTFSA-N 1 1 468.642 4.615 20 0 JJADMO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1)C1CCCC1 ZINC001459938946 1067499637 /nfs/dbraw/zinc/49/96/37/1067499637.db2.gz WOZYEANPRJOWJP-QGZVFWFLSA-N 1 1 450.505 4.816 20 0 JJADMO CCC[N@H+](C)[C@@H](CNC(=O)[C@H](C(C)C)S(=O)(=O)C1CCCCC1)c1ccc(Cl)cc1 ZINC001459942987 1067500913 /nfs/dbraw/zinc/50/09/13/1067500913.db2.gz BCWGFSLWFBDXLW-VXKWHMMOSA-N 1 1 457.080 4.611 20 0 JJADMO CCC[N@@H+](C)[C@@H](CNC(=O)[C@H](C(C)C)S(=O)(=O)C1CCCCC1)c1ccc(Cl)cc1 ZINC001459942987 1067500922 /nfs/dbraw/zinc/50/09/22/1067500922.db2.gz BCWGFSLWFBDXLW-VXKWHMMOSA-N 1 1 457.080 4.611 20 0 JJADMO CCC[N@@H+](C)[C@@H](CNC(=O)CCc1c(C)nc2c(c(C)nn2C)c1C)c1ccc(Cl)cc1 ZINC001459943094 1067501122 /nfs/dbraw/zinc/50/11/22/1067501122.db2.gz BPAOZOBRRIUZCS-QFIPXVFZSA-N 1 1 456.034 4.679 20 0 JJADMO CCC[N@H+](C)[C@H](CNC(=O)[C@@H](C(C)C)S(=O)(=O)C1CCCCC1)c1ccc(Cl)cc1 ZINC001459942979 1067501150 /nfs/dbraw/zinc/50/11/50/1067501150.db2.gz BCWGFSLWFBDXLW-FGZHOGPDSA-N 1 1 457.080 4.611 20 0 JJADMO CCC[N@@H+](C)[C@H](CNC(=O)[C@@H](C(C)C)S(=O)(=O)C1CCCCC1)c1ccc(Cl)cc1 ZINC001459942979 1067501158 /nfs/dbraw/zinc/50/11/58/1067501158.db2.gz BCWGFSLWFBDXLW-FGZHOGPDSA-N 1 1 457.080 4.611 20 0 JJADMO CCC[N@@H+](C)[C@H](CNC(=O)CCc1c(C)nc2c(c(C)nn2C)c1C)c1ccc(Cl)cc1 ZINC001459943083 1067501175 /nfs/dbraw/zinc/50/11/75/1067501175.db2.gz BPAOZOBRRIUZCS-JOCHJYFZSA-N 1 1 456.034 4.679 20 0 JJADMO CCC[N@@H+](C)[C@H](CNC(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001459944946 1067502000 /nfs/dbraw/zinc/50/20/00/1067502000.db2.gz YGTKUBMAPVWTGB-AKIFATBCSA-N 1 1 458.002 4.544 20 0 JJADMO CCn1cc([C@@H](O)C[N@@H+](Cc2ccccc2)Cc2ccc(C(=O)Nc3ccccc3)cc2)cn1 ZINC001459945706 1067502341 /nfs/dbraw/zinc/50/23/41/1067502341.db2.gz SSQRRCRVSSIWHD-MHZLTWQESA-N 1 1 454.574 4.891 20 0 JJADMO CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)C[N@@H+]1CCCC(C)(C)C1 ZINC001459948328 1067502950 /nfs/dbraw/zinc/50/29/50/1067502950.db2.gz DGCLVWGCMWKSCZ-UHFFFAOYSA-N 1 1 453.583 4.797 20 0 JJADMO CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)C[N@H+]1CCCC(C)(C)C1 ZINC001459948328 1067502956 /nfs/dbraw/zinc/50/29/56/1067502956.db2.gz DGCLVWGCMWKSCZ-UHFFFAOYSA-N 1 1 453.583 4.797 20 0 JJADMO O=C(C[NH+]1CCC(Oc2ccc(F)nc2)CC1)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC001459951608 1067504866 /nfs/dbraw/zinc/50/48/66/1067504866.db2.gz GPVZAAGTGUUYCC-RUZDIDTESA-N 1 1 453.945 4.623 20 0 JJADMO Cc1ccc(F)c(N2CCC[C@H]([N@H+]3CCCC4(CCN(C(=O)OC(C)(C)C)CC4)C3)C2=O)c1 ZINC001459953026 1067505400 /nfs/dbraw/zinc/50/54/00/1067505400.db2.gz NZCWMWVWDDWROH-NRFANRHFSA-N 1 1 459.606 4.743 20 0 JJADMO FC(F)(F)c1nnc(N2CC[NH+](CCCCOc3ccccc3C(F)(F)F)CC2)s1 ZINC001459962033 1067508818 /nfs/dbraw/zinc/50/88/18/1067508818.db2.gz IUKAXEZHYGGTRE-UHFFFAOYSA-N 1 1 454.440 4.557 20 0 JJADMO CC(C)([NH2+]CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)c1cccc(Cl)c1F ZINC001459993911 1067518429 /nfs/dbraw/zinc/51/84/29/1067518429.db2.gz GWDXPLYRXNCPAO-UHFFFAOYSA-N 1 1 453.945 4.873 20 0 JJADMO CCOC(=O)c1c(C)[nH]c(C(=O)C[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)c1C ZINC001459999027 1067520633 /nfs/dbraw/zinc/52/06/33/1067520633.db2.gz QYBKHMRHEBMWTL-FQEVSTJZSA-N 1 1 451.336 4.633 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC001460010093 1067525964 /nfs/dbraw/zinc/52/59/64/1067525964.db2.gz ZIAWJOHPFRYZGV-OAQYLSRUSA-N 1 1 450.377 4.841 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC001460010093 1067525972 /nfs/dbraw/zinc/52/59/72/1067525972.db2.gz ZIAWJOHPFRYZGV-OAQYLSRUSA-N 1 1 450.377 4.841 20 0 JJADMO Cn1nc(Cl)c(C(=O)NC[C@@H](c2ccc(Cl)cc2)[N@H+](C)CCC(F)(F)F)c1Cl ZINC001460013255 1067527124 /nfs/dbraw/zinc/52/71/24/1067527124.db2.gz HAMISVFKRAYFOM-LBPRGKRZSA-N 1 1 457.711 4.736 20 0 JJADMO Cn1nc(Cl)c(C(=O)NC[C@@H](c2ccc(Cl)cc2)[N@@H+](C)CCC(F)(F)F)c1Cl ZINC001460013255 1067527133 /nfs/dbraw/zinc/52/71/33/1067527133.db2.gz HAMISVFKRAYFOM-LBPRGKRZSA-N 1 1 457.711 4.736 20 0 JJADMO CC(=O)Nc1ccc(CC(=O)NC[C@H](c2ccc(Cl)cc2)[N@H+](C)CCC(F)(F)F)cc1 ZINC001460013099 1067527251 /nfs/dbraw/zinc/52/72/51/1067527251.db2.gz DVMCJIBODATPSE-HXUWFJFHSA-N 1 1 455.908 4.583 20 0 JJADMO CC(=O)Nc1ccc(CC(=O)NC[C@H](c2ccc(Cl)cc2)[N@@H+](C)CCC(F)(F)F)cc1 ZINC001460013099 1067527258 /nfs/dbraw/zinc/52/72/58/1067527258.db2.gz DVMCJIBODATPSE-HXUWFJFHSA-N 1 1 455.908 4.583 20 0 JJADMO C[N@H+](CCC(F)(F)F)[C@@H](CNC(=O)c1ccncc1N1CCCC1)c1ccc(Cl)cc1 ZINC001460017362 1067529278 /nfs/dbraw/zinc/52/92/78/1067529278.db2.gz WUXYXSONPUIAFD-IBGZPJMESA-N 1 1 454.924 4.691 20 0 JJADMO C[N@@H+](CCC(F)(F)F)[C@@H](CNC(=O)c1ccncc1N1CCCC1)c1ccc(Cl)cc1 ZINC001460017362 1067529285 /nfs/dbraw/zinc/52/92/85/1067529285.db2.gz WUXYXSONPUIAFD-IBGZPJMESA-N 1 1 454.924 4.691 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C[C@H]1c1ccccc1 ZINC001460019973 1067530603 /nfs/dbraw/zinc/53/06/03/1067530603.db2.gz VQBHFMCXRMQIGV-QNWVGRARSA-N 1 1 455.986 4.826 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C[C@H]1c1ccccc1 ZINC001460019973 1067530609 /nfs/dbraw/zinc/53/06/09/1067530609.db2.gz VQBHFMCXRMQIGV-QNWVGRARSA-N 1 1 455.986 4.826 20 0 JJADMO C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC001460030157 1067533953 /nfs/dbraw/zinc/53/39/53/1067533953.db2.gz VPJUKHPUBVZNAE-GOSISDBHSA-N 1 1 453.583 4.593 20 0 JJADMO COc1ccc([C@H]2CCCCCN2C(=O)C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC001460033688 1067535347 /nfs/dbraw/zinc/53/53/47/1067535347.db2.gz YSVDNHVQVKKZPH-RUZDIDTESA-N 1 1 452.570 4.873 20 0 JJADMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC001460039516 1067536384 /nfs/dbraw/zinc/53/63/84/1067536384.db2.gz LKZBYZCQXZOWOY-CIQXWFTPSA-N 1 1 455.624 4.591 20 0 JJADMO CC(C)(C)OC(=O)NCCC[N@@H+](Cc1ccccc1)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC001460051805 1067539673 /nfs/dbraw/zinc/53/96/73/1067539673.db2.gz OXFUWAIIERAULZ-DEOSSOPVSA-N 1 1 451.611 4.595 20 0 JJADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC001460062788 1067542799 /nfs/dbraw/zinc/54/27/99/1067542799.db2.gz GHAYVKXXPVKTET-UHFFFAOYSA-N 1 1 450.558 4.638 20 0 JJADMO C[C@@H](NC(=O)C[N@@H+](Cc1ccc(F)cc1)C1CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC001460063487 1067543358 /nfs/dbraw/zinc/54/33/58/1067543358.db2.gz HTHGVOXOYYDOQR-MRXNPFEDSA-N 1 1 454.464 4.583 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC001460067283 1067544555 /nfs/dbraw/zinc/54/45/55/1067544555.db2.gz DJAHFDKKTCCROK-RTJMFUJLSA-N 1 1 450.623 4.751 20 0 JJADMO Cn1c(C[N@@H+]2CCCC[C@H]2CCNC(=O)OC(C)(C)C)nc2ccc(Br)cc21 ZINC001460067054 1067544634 /nfs/dbraw/zinc/54/46/34/1067544634.db2.gz CZLCFGDIZJGXFB-INIZCTEOSA-N 1 1 451.409 4.605 20 0 JJADMO Cn1c(C[N@H+]2CCCC[C@H]2CCNC(=O)OC(C)(C)C)nc2ccc(Br)cc21 ZINC001460067054 1067544643 /nfs/dbraw/zinc/54/46/43/1067544643.db2.gz CZLCFGDIZJGXFB-INIZCTEOSA-N 1 1 451.409 4.605 20 0 JJADMO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC001460069107 1067545119 /nfs/dbraw/zinc/54/51/19/1067545119.db2.gz JEMXMSMZNHGBLV-JOCHJYFZSA-N 1 1 458.647 4.775 20 0 JJADMO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC001460069107 1067545125 /nfs/dbraw/zinc/54/51/25/1067545125.db2.gz JEMXMSMZNHGBLV-JOCHJYFZSA-N 1 1 458.647 4.775 20 0 JJADMO CCOC(=O)c1ccc2c(c1)nc(C[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1)n2CC ZINC001460079615 1067548593 /nfs/dbraw/zinc/54/85/93/1067548593.db2.gz BYTPGPTZIDTWOX-GOSISDBHSA-N 1 1 450.366 4.753 20 0 JJADMO COC(=O)c1cccc(-c2nc(C[N@@H+]3CCC34CCN(C(=O)OC(C)(C)C)CC4)cs2)c1 ZINC001460083171 1067549308 /nfs/dbraw/zinc/54/93/08/1067549308.db2.gz UPHDKSGJGXEHNN-UHFFFAOYSA-N 1 1 457.596 4.572 20 0 JJADMO COC(=O)c1cccc(-c2nc(C[N@H+]3CCC34CCN(C(=O)OC(C)(C)C)CC4)cs2)c1 ZINC001460083171 1067549316 /nfs/dbraw/zinc/54/93/16/1067549316.db2.gz UPHDKSGJGXEHNN-UHFFFAOYSA-N 1 1 457.596 4.572 20 0 JJADMO CC(C)C[N@H+](CC(=O)NCc1ccccc1CN1CCCC1=O)[C@@H](C)c1ccccc1Cl ZINC001460087725 1067550694 /nfs/dbraw/zinc/55/06/94/1067550694.db2.gz CHXIZDKJQBFABI-FQEVSTJZSA-N 1 1 456.030 4.798 20 0 JJADMO CC(C)C[N@@H+](CC(=O)NCc1ccccc1CN1CCCC1=O)[C@@H](C)c1ccccc1Cl ZINC001460087725 1067550700 /nfs/dbraw/zinc/55/07/00/1067550700.db2.gz CHXIZDKJQBFABI-FQEVSTJZSA-N 1 1 456.030 4.798 20 0 JJADMO CN(C(=O)C[N@H+](C)CCc1nc(-c2ccccc2)no1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC001460089048 1067551471 /nfs/dbraw/zinc/55/14/71/1067551471.db2.gz JADZQNSXUHIESF-SANMLTNESA-N 1 1 458.537 4.598 20 0 JJADMO CN(C(=O)C[N@@H+](C)CCc1nc(-c2ccccc2)no1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC001460089048 1067551477 /nfs/dbraw/zinc/55/14/77/1067551477.db2.gz JADZQNSXUHIESF-SANMLTNESA-N 1 1 458.537 4.598 20 0 JJADMO Cc1oc2ccccc2c1CC(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC001460092170 1067552267 /nfs/dbraw/zinc/55/22/67/1067552267.db2.gz GUVFKNLNEZCYDL-HNNXBMFYSA-N 1 1 456.384 4.825 20 0 JJADMO CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cc(Br)ccc1N1CC[N@@H+](C)C[C@H]1C ZINC001460097447 1067554501 /nfs/dbraw/zinc/55/45/01/1067554501.db2.gz VKIWODPGJPLRHJ-TYCQWZJGSA-N 1 1 456.428 4.894 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CC[NH+](Cc2cccc(Cl)c2Br)CC1 ZINC001460113381 1067557615 /nfs/dbraw/zinc/55/76/15/1067557615.db2.gz IXJQIDPTQRBVSX-MJGOQNOKSA-N 1 1 473.839 4.997 20 0 JJADMO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cs1)c1ccc(C(F)(F)F)cc1 ZINC001460135161 1067561981 /nfs/dbraw/zinc/56/19/81/1067561981.db2.gz MPSVURDGCROPFU-AQNXPRMDSA-N 1 1 453.530 4.972 20 0 JJADMO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cs1)c1ccc(C(F)(F)F)cc1 ZINC001460135161 1067561988 /nfs/dbraw/zinc/56/19/88/1067561988.db2.gz MPSVURDGCROPFU-AQNXPRMDSA-N 1 1 453.530 4.972 20 0 JJADMO CCOC(=O)c1c(NC(=O)[C@H](c2ccccc2)[N@H+](CC)C[C@H](C)OC)sc2c1CCCC2 ZINC001460137199 1067562308 /nfs/dbraw/zinc/56/23/08/1067562308.db2.gz GFLCURKXHBFSKJ-JTSKRJEESA-N 1 1 458.624 4.840 20 0 JJADMO CCOC(=O)c1c(NC(=O)[C@H](c2ccccc2)[N@@H+](CC)C[C@H](C)OC)sc2c1CCCC2 ZINC001460137199 1067562312 /nfs/dbraw/zinc/56/23/12/1067562312.db2.gz GFLCURKXHBFSKJ-JTSKRJEESA-N 1 1 458.624 4.840 20 0 JJADMO CC(C)n1cc(C2=CCC[N@@H+](Cc3ccnc(-c4ccc(Br)cc4)n3)CC2)nn1 ZINC001460147324 1067564943 /nfs/dbraw/zinc/56/49/43/1067564943.db2.gz DLMWFSZNZBGKQA-UHFFFAOYSA-N 1 1 453.388 4.758 20 0 JJADMO Cc1ccc(CN2CCCN(C(=O)C[NH2+][C@](C)(Cc3ccc(Cl)cc3)C(C)C)CC2)cc1 ZINC001460149308 1067565222 /nfs/dbraw/zinc/56/52/22/1067565222.db2.gz IKLDTNPFSLSZNP-HHHXNRCGSA-N 1 1 456.074 4.930 20 0 JJADMO COc1cccc(NC(=O)CCN(Cc2ccncc2)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001460149663 1067565370 /nfs/dbraw/zinc/56/53/70/1067565370.db2.gz FUAVUXBALLSAMH-AREMUKBSSA-N 1 1 458.606 4.586 20 0 JJADMO COc1cccc(NC(=O)CC[N@H+](Cc2ccncc2)[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC001460149663 1067565375 /nfs/dbraw/zinc/56/53/75/1067565375.db2.gz FUAVUXBALLSAMH-AREMUKBSSA-N 1 1 458.606 4.586 20 0 JJADMO COc1cccc(NC(=O)CC[N@@H+](Cc2ccncc2)[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC001460149663 1067565377 /nfs/dbraw/zinc/56/53/77/1067565377.db2.gz FUAVUXBALLSAMH-AREMUKBSSA-N 1 1 458.606 4.586 20 0 JJADMO COc1cccc(NC(=O)CCN(Cc2ccncc2)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001460149669 1067565666 /nfs/dbraw/zinc/56/56/66/1067565666.db2.gz FUAVUXBALLSAMH-SANMLTNESA-N 1 1 458.606 4.586 20 0 JJADMO COc1cccc(NC(=O)CC[N@H+](Cc2ccncc2)[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC001460149669 1067565673 /nfs/dbraw/zinc/56/56/73/1067565673.db2.gz FUAVUXBALLSAMH-SANMLTNESA-N 1 1 458.606 4.586 20 0 JJADMO COc1cccc(NC(=O)CC[N@@H+](Cc2ccncc2)[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC001460149669 1067565681 /nfs/dbraw/zinc/56/56/81/1067565681.db2.gz FUAVUXBALLSAMH-SANMLTNESA-N 1 1 458.606 4.586 20 0 JJADMO CC(C)(CO)[C@@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)c1cccnc1 ZINC001460158013 1067566843 /nfs/dbraw/zinc/56/68/43/1067566843.db2.gz BDQXVVXJEUOMKF-FQEVSTJZSA-N 1 1 454.983 4.962 20 0 JJADMO CCOC(=O)[C@H](CCc1ccccc1)[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460160034 1067567682 /nfs/dbraw/zinc/56/76/82/1067567682.db2.gz UJEPXXQBQNGEBZ-VXNXHJTFSA-N 1 1 458.643 4.910 20 0 JJADMO C[C@@H]([NH2+]CC(=O)Nc1ccc2ccccc2c1)c1ccc(Br)cc1OCCCO ZINC001460169549 1067569178 /nfs/dbraw/zinc/56/91/78/1067569178.db2.gz AKVCUSMERFTIPR-MRXNPFEDSA-N 1 1 457.368 4.653 20 0 JJADMO CCc1cc2c(C[N@H+]3CCCC[C@@H]3[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc(=O)oc2cc1O ZINC001460171031 1067569610 /nfs/dbraw/zinc/56/96/10/1067569610.db2.gz ABQAWVZDGHZYRI-WIYYLYMNSA-N 1 1 456.583 4.673 20 0 JJADMO C[C@@H]([NH2+][C@H](CO)c1ccc(Br)cc1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC001460174323 1067570477 /nfs/dbraw/zinc/57/04/77/1067570477.db2.gz WJKWTDBXKWYJCZ-IIBYNOLFSA-N 1 1 455.352 4.892 20 0 JJADMO C[C@H]([NH2+]Cc1cc2c(cc1Br)OCCCO2)c1ccc(N2CCCCC2=O)cc1 ZINC001460175179 1067571066 /nfs/dbraw/zinc/57/10/66/1067571066.db2.gz YUBGHWBMRAXTIU-INIZCTEOSA-N 1 1 459.384 4.978 20 0 JJADMO O=C(CC[N@@H+]1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1)Nc1cc(F)cc(F)c1 ZINC001460181174 1067572668 /nfs/dbraw/zinc/57/26/68/1067572668.db2.gz RLIHWGZFGTWXOZ-BTYIYWSLSA-N 1 1 453.327 4.502 20 0 JJADMO C[N@@H+](C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001460192930 1067576182 /nfs/dbraw/zinc/57/61/82/1067576182.db2.gz AXKVHWRMFBXXDH-YTFSRNRJSA-N 1 1 458.643 4.971 20 0 JJADMO COC(=O)C[C@](C)([NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1cccc(OC)c1 ZINC001460199969 1067577580 /nfs/dbraw/zinc/57/75/80/1067577580.db2.gz UEWQSNSUUDUHON-FQEVSTJZSA-N 1 1 459.757 4.662 20 0 JJADMO COC(=O)C[C@@](C)([NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1cccc(OC)c1 ZINC001460199971 1067577666 /nfs/dbraw/zinc/57/76/66/1067577666.db2.gz UEWQSNSUUDUHON-HXUWFJFHSA-N 1 1 459.757 4.662 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)C1 ZINC001460207305 1067579353 /nfs/dbraw/zinc/57/93/53/1067579353.db2.gz DRTXLNFPAFVLNI-IFMALSPDSA-N 1 1 459.631 4.928 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H](C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)C1 ZINC001460207305 1067579354 /nfs/dbraw/zinc/57/93/54/1067579354.db2.gz DRTXLNFPAFVLNI-IFMALSPDSA-N 1 1 459.631 4.928 20 0 JJADMO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001460211212 1067580469 /nfs/dbraw/zinc/58/04/69/1067580469.db2.gz YHHTXFVGOSIXFM-MRXNPFEDSA-N 1 1 453.986 4.919 20 0 JJADMO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC001460223587 1067583432 /nfs/dbraw/zinc/58/34/32/1067583432.db2.gz CVOPPAIPVQNUHW-INIZCTEOSA-N 1 1 453.421 4.979 20 0 JJADMO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC001460223587 1067583437 /nfs/dbraw/zinc/58/34/37/1067583437.db2.gz CVOPPAIPVQNUHW-INIZCTEOSA-N 1 1 453.421 4.979 20 0 JJADMO Cc1c(F)cccc1NC(=O)CC[N@@H+]1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460237355 1067587355 /nfs/dbraw/zinc/58/73/55/1067587355.db2.gz ADHLTSJKLQLMDC-PGRDOPGGSA-N 1 1 459.537 4.595 20 0 JJADMO COc1ccc([C@@H](O)C[N@@H+](CC(=O)Nc2cccc(Cl)c2)[C@@H](C)Cc2ccccc2)cc1 ZINC001460238401 1067587637 /nfs/dbraw/zinc/58/76/37/1067587637.db2.gz DGZVLDSVZACTKP-DFBJGRDBSA-N 1 1 452.982 4.954 20 0 JJADMO CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1cccc(C(=O)N2CCCCC2)c1)C(C)C ZINC001460239913 1067588807 /nfs/dbraw/zinc/58/88/07/1067588807.db2.gz HQBMOVGSNUDFEB-QHCPKHFHSA-N 1 1 456.652 4.685 20 0 JJADMO C[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001460240528 1067589203 /nfs/dbraw/zinc/58/92/03/1067589203.db2.gz LTMXLYJYNHGKRD-DLBZAZTESA-N 1 1 456.562 4.622 20 0 JJADMO CCC1(CC)CN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)[N@@H+](C)C2CC2)CCS1 ZINC001546115018 1067589574 /nfs/dbraw/zinc/58/95/74/1067589574.db2.gz OUCIADUBZPGENV-GOSISDBHSA-N 1 1 473.687 4.557 20 0 JJADMO CC(C)(C)OC(=O)CC[C@H]1CCC[N@H+]([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC001460260978 1067593005 /nfs/dbraw/zinc/59/30/05/1067593005.db2.gz XLIBBJODNADTBE-APWZRJJASA-N 1 1 456.505 4.524 20 0 JJADMO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C ZINC001460274266 1067595428 /nfs/dbraw/zinc/59/54/28/1067595428.db2.gz XCNRRTJEVQRXPP-HDAAZOAOSA-N 1 1 457.615 4.823 20 0 JJADMO Cc1ccccc1NC(=O)Cc1nc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)cs1 ZINC001460279365 1067596497 /nfs/dbraw/zinc/59/64/97/1067596497.db2.gz IQWXTTIYMUZVHE-WOJBJXKFSA-N 1 1 458.628 4.558 20 0 JJADMO C[C@@H]1CC2(C[N@H+]1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001460279601 1067597118 /nfs/dbraw/zinc/59/71/18/1067597118.db2.gz ZUCBDFQYRLMBMU-UXHICEINSA-N 1 1 451.652 4.745 20 0 JJADMO CCC1(CC)CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCC[C@@H](C)C2)CCS1 ZINC001546115263 1067598652 /nfs/dbraw/zinc/59/86/52/1067598652.db2.gz YGRZVYGZUKBYEA-QGZVFWFLSA-N 1 1 495.535 4.880 20 0 JJADMO CCC1(CC)CN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCC[N@H+]2CCCO)CCS1 ZINC001546115264 1067598836 /nfs/dbraw/zinc/59/88/36/1067598836.db2.gz YGWVDOGZDFSXJG-NRFANRHFSA-N 1 1 478.106 4.557 20 0 JJADMO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001460300052 1067601350 /nfs/dbraw/zinc/60/13/50/1067601350.db2.gz CDXSACSGCZICMU-ORYQWCPZSA-N 1 1 473.411 4.833 20 0 JJADMO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001460300052 1067601355 /nfs/dbraw/zinc/60/13/55/1067601355.db2.gz CDXSACSGCZICMU-ORYQWCPZSA-N 1 1 473.411 4.833 20 0 JJADMO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c3cccnc3)C1)C[C@H](C)CC2 ZINC001460301151 1067601744 /nfs/dbraw/zinc/60/17/44/1067601744.db2.gz BRAKJHKMFHXETQ-AOIWGVFYSA-N 1 1 455.624 4.651 20 0 JJADMO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c3cccnc3)C1)C[C@H](C)CC2 ZINC001460301151 1067601749 /nfs/dbraw/zinc/60/17/49/1067601749.db2.gz BRAKJHKMFHXETQ-AOIWGVFYSA-N 1 1 455.624 4.651 20 0 JJADMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C[C@H]1c1ccccc1 ZINC001460302204 1067602413 /nfs/dbraw/zinc/60/24/13/1067602413.db2.gz OUEVLZMUHDLAAV-LEWJYISDSA-N 1 1 453.970 4.990 20 0 JJADMO CC(C)(C)[C@H](NC(=O)C[N@@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1)c1cccs1 ZINC001460302937 1067602823 /nfs/dbraw/zinc/60/28/23/1067602823.db2.gz UNOPBZNRVYAJAZ-NTKDMRAZSA-N 1 1 459.631 4.509 20 0 JJADMO CC(C)(C)[C@H](NC(=O)C[N@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1)c1cccs1 ZINC001460302937 1067602831 /nfs/dbraw/zinc/60/28/31/1067602831.db2.gz UNOPBZNRVYAJAZ-NTKDMRAZSA-N 1 1 459.631 4.509 20 0 JJADMO COC(=O)c1cc(C[N@@H+](Cc2ccccn2)C2CCN(C(=O)OC(C)(C)C)CC2)ccc1C ZINC001460305364 1067603359 /nfs/dbraw/zinc/60/33/59/1067603359.db2.gz QRDMKORKQLDSTF-UHFFFAOYSA-N 1 1 453.583 4.578 20 0 JJADMO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+]1[C@H](C)[C@H](C)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001460309918 1067605048 /nfs/dbraw/zinc/60/50/48/1067605048.db2.gz YQZVVGLJQVWOKL-UZKOGDIHSA-N 1 1 458.647 4.547 20 0 JJADMO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+]1[C@H](C)[C@H](C)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001460309918 1067605051 /nfs/dbraw/zinc/60/50/51/1067605051.db2.gz YQZVVGLJQVWOKL-UZKOGDIHSA-N 1 1 458.647 4.547 20 0 JJADMO COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C[C@H]1c1ccc(Cl)cc1 ZINC001460314428 1067605384 /nfs/dbraw/zinc/60/53/84/1067605384.db2.gz SWOCRAFIIMLLCZ-BJKOFHAPSA-N 1 1 464.949 4.959 20 0 JJADMO COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C[C@H]1c1ccc(Cl)cc1 ZINC001460314428 1067605391 /nfs/dbraw/zinc/60/53/91/1067605391.db2.gz SWOCRAFIIMLLCZ-BJKOFHAPSA-N 1 1 464.949 4.959 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C[C@H](O)c2cccc3ccccc32)C1 ZINC001460318649 1067606758 /nfs/dbraw/zinc/60/67/58/1067606758.db2.gz SHJVHSKHKIABPR-OCFYOKIWSA-N 1 1 454.611 4.800 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC001460318558 1067606801 /nfs/dbraw/zinc/60/68/01/1067606801.db2.gz RMYAQTVBQAPBBI-RLLQIKCJSA-N 1 1 458.521 4.838 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC001460318558 1067606802 /nfs/dbraw/zinc/60/68/02/1067606802.db2.gz RMYAQTVBQAPBBI-RLLQIKCJSA-N 1 1 458.521 4.838 20 0 JJADMO Cc1ccc(C(=O)N2CC[N@H+](CCCc3ccccc3)C[C@H]2CC(C)C)c(Br)n1 ZINC001460324261 1067607987 /nfs/dbraw/zinc/60/79/87/1067607987.db2.gz IQOJRXLFKUMVDM-OAQYLSRUSA-N 1 1 458.444 4.958 20 0 JJADMO CCCC[N@@H+](CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)[C@H]1CCc2ncsc2C1 ZINC001460339845 1067611545 /nfs/dbraw/zinc/61/15/45/1067611545.db2.gz QLRIERPELRGFDW-NRFANRHFSA-N 1 1 451.640 4.852 20 0 JJADMO CC[C@@H](C)Oc1cc(C(=O)N(Cc2ccncc2)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC001460346066 1067613431 /nfs/dbraw/zinc/61/34/31/1067613431.db2.gz HYJCFXRKXNEHLC-ATIYNZHBSA-N 1 1 458.606 4.961 20 0 JJADMO Cc1ccc(S(=O)(=O)N[C@H](C[N@H+]2CCS[C@H](c3ccccc3)C2)c2ccccc2)cc1 ZINC001460362418 1067618554 /nfs/dbraw/zinc/61/85/54/1067618554.db2.gz OWSONFACWFNPFA-RPBOFIJWSA-N 1 1 452.645 4.805 20 0 JJADMO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(CNC(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001460366430 1067619378 /nfs/dbraw/zinc/61/93/78/1067619378.db2.gz XFEXCHNRZSAZJM-XFAGBWLFSA-N 1 1 450.023 4.911 20 0 JJADMO Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@]3(CNC(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001460366430 1067619383 /nfs/dbraw/zinc/61/93/83/1067619383.db2.gz XFEXCHNRZSAZJM-XFAGBWLFSA-N 1 1 450.023 4.911 20 0 JJADMO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(CNC(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001460366432 1067619486 /nfs/dbraw/zinc/61/94/86/1067619486.db2.gz XFEXCHNRZSAZJM-YTZAWJCFSA-N 1 1 450.023 4.911 20 0 JJADMO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2C[C@@H]3CCC[C@]3(CNC(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001460366432 1067619487 /nfs/dbraw/zinc/61/94/87/1067619487.db2.gz XFEXCHNRZSAZJM-YTZAWJCFSA-N 1 1 450.023 4.911 20 0 JJADMO CC[NH+](CC)[C@@H](C(=O)Nc1cc(COC)cc(C(=O)OC)c1)c1cccc(C(F)(F)F)c1 ZINC001460367566 1067619950 /nfs/dbraw/zinc/61/99/50/1067619950.db2.gz SEECFTOSPQDLKS-HXUWFJFHSA-N 1 1 452.473 4.660 20 0 JJADMO C[C@@H]1CN(c2ccc(NC(=O)C[N@H+]3CCC[C@]3(C)Cc3ccccc3Cl)cc2)C[C@H](C)O1 ZINC001460404139 1067627791 /nfs/dbraw/zinc/62/77/91/1067627791.db2.gz NEGRECBEWPAIFM-BVFVYWQFSA-N 1 1 456.030 4.989 20 0 JJADMO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001460409510 1067629237 /nfs/dbraw/zinc/62/92/37/1067629237.db2.gz KOUJVBWMTHCXQC-LJQANCHMSA-N 1 1 450.023 4.946 20 0 JJADMO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c1C ZINC001460411259 1067629791 /nfs/dbraw/zinc/62/97/91/1067629791.db2.gz QRAKKLSQHKXAGQ-WIYYLYMNSA-N 1 1 459.631 4.764 20 0 JJADMO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c1C ZINC001460411259 1067629794 /nfs/dbraw/zinc/62/97/94/1067629794.db2.gz QRAKKLSQHKXAGQ-WIYYLYMNSA-N 1 1 459.631 4.764 20 0 JJADMO O=C(C[NH+]1CCC([C@@H]2CCCCO2)CC1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC001460441933 1067635648 /nfs/dbraw/zinc/63/56/48/1067635648.db2.gz DFSCRQKYFMHZEC-QHCPKHFHSA-N 1 1 455.986 4.812 20 0 JJADMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001460454739 1067637566 /nfs/dbraw/zinc/63/75/66/1067637566.db2.gz IZPRMXPDNKUEND-IRLDBZIGSA-N 1 1 479.621 4.871 20 0 JJADMO COc1ccc(N=c2scc(C[N@H+]3CC[C@H](C)[C@@H](CO)C3)n2[C@@H](C)c2ccccc2)cc1 ZINC001460501891 1067645786 /nfs/dbraw/zinc/64/57/86/1067645786.db2.gz FCOXTJAQTFUPRP-JAXLGGSGSA-N 1 1 451.636 4.850 20 0 JJADMO CC[C@H](CO)[N@@H+](CC(=O)NCc1ccc(OC(F)(F)F)cc1)C1CCC(C(C)(C)C)CC1 ZINC001460508711 1067646701 /nfs/dbraw/zinc/64/67/01/1067646701.db2.gz WRGAPCZAAKVLIL-IOJLRTSASA-N 1 1 458.565 4.879 20 0 JJADMO COC(=O)c1cnc([C@@H]2CCC[N@@H+](CCCC3CCN(C(=O)OC(C)(C)C)CC3)C2)s1 ZINC001460525773 1067650264 /nfs/dbraw/zinc/65/02/64/1067650264.db2.gz LNJKGEAQQMKXNA-GOSISDBHSA-N 1 1 451.633 4.536 20 0 JJADMO CC[N@H+](CC(=O)Nc1nc(-c2ccccc2)c(C(C)C)s1)[C@H]1CCN(CC(F)(F)F)C1 ZINC001460532597 1067652246 /nfs/dbraw/zinc/65/22/46/1067652246.db2.gz DQFKZGLIMIMQAS-KRWDZBQOSA-N 1 1 454.562 4.831 20 0 JJADMO CC[N@@H+](CC(=O)Nc1nc(-c2ccccc2)c(C(C)C)s1)[C@H]1CCN(CC(F)(F)F)C1 ZINC001460532597 1067652248 /nfs/dbraw/zinc/65/22/48/1067652248.db2.gz DQFKZGLIMIMQAS-KRWDZBQOSA-N 1 1 454.562 4.831 20 0 JJADMO CCOc1ccc([C@@H](C)NC(=O)C[NH2+][C@@H](C)c2ccc(C(F)(F)F)nc2Cl)cc1OC ZINC001460534860 1067652621 /nfs/dbraw/zinc/65/26/21/1067652621.db2.gz SSFSUSASBCPJDF-OLZOCXBDSA-N 1 1 459.896 4.689 20 0 JJADMO Cc1cccc(C[C@@]2(C)CCC[N@H+]2CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)c1 ZINC001460563724 1067656512 /nfs/dbraw/zinc/65/65/12/1067656512.db2.gz ZHQSTQHKTUIJCX-XUZZJYLKSA-N 1 1 459.512 4.698 20 0 JJADMO Cc1cccc(C[C@]2(C)CCC[N@H+]2CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)c1 ZINC001460563723 1067656564 /nfs/dbraw/zinc/65/65/64/1067656564.db2.gz ZHQSTQHKTUIJCX-URXFXBBRSA-N 1 1 459.512 4.698 20 0 JJADMO CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)C[N@H+](C)CC(O)(CC)CC ZINC001460569121 1067657652 /nfs/dbraw/zinc/65/76/52/1067657652.db2.gz XNIBZEXGYLFYFZ-UHFFFAOYSA-N 1 1 453.004 4.667 20 0 JJADMO CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)C[N@@H+](C)CC(O)(CC)CC ZINC001460569121 1067657655 /nfs/dbraw/zinc/65/76/55/1067657655.db2.gz XNIBZEXGYLFYFZ-UHFFFAOYSA-N 1 1 453.004 4.667 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H](CC[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)C1 ZINC001460566629 1067657698 /nfs/dbraw/zinc/65/76/98/1067657698.db2.gz LAEQQGHVYSJMTI-PWIZWCRZSA-N 1 1 453.421 4.594 20 0 JJADMO CC1(C)[C@@H](c2cccc(F)c2)CC[N@H+]1CC(=O)Nc1cccc(I)c1 ZINC001460602769 1067667515 /nfs/dbraw/zinc/66/75/15/1067667515.db2.gz JKTLQGHPDAXTQJ-GOSISDBHSA-N 1 1 452.311 4.637 20 0 JJADMO CCC[N@H+](CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2)Cc1ccc(OC)cc1 ZINC001460615254 1067673569 /nfs/dbraw/zinc/67/35/69/1067673569.db2.gz GIRFHCAITMMYFL-QGZVFWFLSA-N 1 1 458.624 4.909 20 0 JJADMO CCC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2)Cc1ccc(OC)cc1 ZINC001460615254 1067673575 /nfs/dbraw/zinc/67/35/75/1067673575.db2.gz GIRFHCAITMMYFL-QGZVFWFLSA-N 1 1 458.624 4.909 20 0 JJADMO Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001460641530 1067682672 /nfs/dbraw/zinc/68/26/72/1067682672.db2.gz GOZYNJLJDNUOOL-UHFFFAOYSA-N 1 1 452.555 4.682 20 0 JJADMO CCOC(=O)c1sc2nc(C[NH+]3CCC(Cc4ccccc4Cl)CC3)nc(N)c2c1C ZINC001460644984 1067684107 /nfs/dbraw/zinc/68/41/07/1067684107.db2.gz VSVJPGPIUXAJCH-UHFFFAOYSA-N 1 1 459.015 4.867 20 0 JJADMO COc1cc(-c2noc(C[N@H+]3CCC[C@]3(C)Cc3ccc(F)c(F)c3)n2)cc(OC)c1OC ZINC001460646777 1067684629 /nfs/dbraw/zinc/68/46/29/1067684629.db2.gz RRULBWVTOGIERB-XMMPIXPASA-N 1 1 459.493 4.638 20 0 JJADMO CN(C)C(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H]2Cc2cccc(Oc3ccccc3)c2)c1 ZINC001460660378 1067691821 /nfs/dbraw/zinc/69/18/21/1067691821.db2.gz OBEOREKKOYVINF-XMMPIXPASA-N 1 1 457.574 4.826 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC001460664405 1067693074 /nfs/dbraw/zinc/69/30/74/1067693074.db2.gz IJVODHIMIXNREA-APWZRJJASA-N 1 1 455.521 4.755 20 0 JJADMO O=C(Cc1csc(Cc2ccc(F)cc2)n1)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001460678212 1067698108 /nfs/dbraw/zinc/69/81/08/1067698108.db2.gz AWMRMJHOALKKED-QFIPXVFZSA-N 1 1 451.611 4.834 20 0 JJADMO CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CC[N@@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC001460680165 1067699201 /nfs/dbraw/zinc/69/92/01/1067699201.db2.gz SIHYISLNOKNDKJ-JOCHJYFZSA-N 1 1 457.537 4.907 20 0 JJADMO CC(C)(C)OC(=O)N1c2ccccc2[C@@H]([NH2+]CC(=O)Nc2ccnn2C2CCCC2)C1(C)C ZINC001460682288 1067700353 /nfs/dbraw/zinc/70/03/53/1067700353.db2.gz CKWFMMQTLISJAW-JOCHJYFZSA-N 1 1 453.587 4.801 20 0 JJADMO CCc1ccc(C[NH+]2CCN(Cc3csc(N(C(C)=O)c4ccc(F)cc4)n3)CC2)cc1 ZINC001460702580 1067704952 /nfs/dbraw/zinc/70/49/52/1067704952.db2.gz VBQJEOHMOFIPOD-UHFFFAOYSA-N 1 1 452.599 4.847 20 0 JJADMO COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C[C@@H](O)c2cc3ccccc3o2)cc1 ZINC001460704788 1067705414 /nfs/dbraw/zinc/70/54/14/1067705414.db2.gz KBWNRAIVXGYIDI-FGZHOGPDSA-N 1 1 452.551 4.769 20 0 JJADMO COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C[C@@H](O)c2cc3ccccc3o2)cc1 ZINC001460704788 1067705423 /nfs/dbraw/zinc/70/54/23/1067705423.db2.gz KBWNRAIVXGYIDI-FGZHOGPDSA-N 1 1 452.551 4.769 20 0 JJADMO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC001460704912 1067705441 /nfs/dbraw/zinc/70/54/41/1067705441.db2.gz LPUSJNMSGSOLPS-LJQANCHMSA-N 1 1 458.430 4.673 20 0 JJADMO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CCCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC001460704912 1067705442 /nfs/dbraw/zinc/70/54/42/1067705442.db2.gz LPUSJNMSGSOLPS-LJQANCHMSA-N 1 1 458.430 4.673 20 0 JJADMO COC(=O)c1scc(C)c1NC(=O)[C@@H](C)[N@@H+](C[C@@H](OC)c1ccc(Cl)cc1)C(C)C ZINC001460713938 1067707199 /nfs/dbraw/zinc/70/71/99/1067707199.db2.gz USFFNROARTWBHV-CRAIPNDOSA-N 1 1 453.004 4.922 20 0 JJADMO COc1cccc([C@H]2CC[N@@H+](Cc3nc(-c4cc(OC)c(OC)c(OC)c4)no3)C2(C)C)c1 ZINC001460721421 1067709459 /nfs/dbraw/zinc/70/94/59/1067709459.db2.gz VEFGVOHSCUAEKN-LJQANCHMSA-N 1 1 453.539 4.539 20 0 JJADMO CN(C[C@H](O)C[N@@H+](C)Cc1ccccc1)[C@@H](c1ccccc1)c1ccccc1Br ZINC001460732394 1067711720 /nfs/dbraw/zinc/71/17/20/1067711720.db2.gz RYRNJHUNXVBZGH-RDGATRHJSA-N 1 1 453.424 4.963 20 0 JJADMO COc1ccc2nc(C[N@@H+]3CCC[C@H](C[C@@H](NC(=O)OC(C)(C)C)C4CCCC4)C3)[nH]c2n1 ZINC001460750788 1067715654 /nfs/dbraw/zinc/71/56/54/1067715654.db2.gz VASYKSNRVXQPKO-YLJYHZDGSA-N 1 1 457.619 4.652 20 0 JJADMO COc1ccc2nc(C[N@H+]3CCC[C@H](C[C@@H](NC(=O)OC(C)(C)C)C4CCCC4)C3)[nH]c2n1 ZINC001460750788 1067715671 /nfs/dbraw/zinc/71/56/71/1067715671.db2.gz VASYKSNRVXQPKO-YLJYHZDGSA-N 1 1 457.619 4.652 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](C[C@H]1CCC[N@@H+](C[C@H]2CCC3(CCOCC3)O2)C1)C1CCCC1 ZINC001460751864 1067716105 /nfs/dbraw/zinc/71/61/05/1067716105.db2.gz RCGKFXVNWYLYBY-YMPZKCBVSA-N 1 1 450.664 4.900 20 0 JJADMO COC(=O)CNC(=O)CC[N@@H+](C)Cc1ccc(Cl)cc1Oc1cc(Cl)ccc1Cl ZINC001460751908 1067716500 /nfs/dbraw/zinc/71/65/00/1067716500.db2.gz WEBDMNWUOGYGQW-UHFFFAOYSA-N 1 1 459.757 4.550 20 0 JJADMO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC001460752382 1067716545 /nfs/dbraw/zinc/71/65/45/1067716545.db2.gz ZOSLQMJXFNHQDU-SJCJKPOMSA-N 1 1 457.324 4.838 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2I)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001460775660 1067721048 /nfs/dbraw/zinc/72/10/48/1067721048.db2.gz RBDFWNUWEUFIKQ-ZIAGYGMSSA-N 1 1 478.802 4.927 20 0 JJADMO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[N@H+](C)[C@@H](CO)c1ccccc1C ZINC001460779360 1067722055 /nfs/dbraw/zinc/72/20/55/1067722055.db2.gz RYCGAQBFNSWQJP-NRFANRHFSA-N 1 1 452.576 4.504 20 0 JJADMO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[N@@H+](C)[C@@H](CO)c1ccccc1C ZINC001460779360 1067722060 /nfs/dbraw/zinc/72/20/60/1067722060.db2.gz RYCGAQBFNSWQJP-NRFANRHFSA-N 1 1 452.576 4.504 20 0 JJADMO Cc1cc(C)c(NC(=O)CCC[N@@H+]2C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)c(C)c1 ZINC001460783558 1067723014 /nfs/dbraw/zinc/72/30/14/1067723014.db2.gz CFXSSUDNPWGKKZ-QZTJIDSGSA-N 1 1 457.537 4.718 20 0 JJADMO COC[C@H]([NH2+]Cc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1)[C@H]1CCCOC1 ZINC001460794141 1067724994 /nfs/dbraw/zinc/72/49/94/1067724994.db2.gz YRNYGVLWAGLQAO-LIRRHRJNSA-N 1 1 458.411 4.666 20 0 JJADMO Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C3)cc2)n1 ZINC001460798591 1067725739 /nfs/dbraw/zinc/72/57/39/1067725739.db2.gz YNKBLNWQYIGYBS-PMACEKPBSA-N 1 1 452.521 4.767 20 0 JJADMO Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C3)cc2)n1 ZINC001460798591 1067725743 /nfs/dbraw/zinc/72/57/43/1067725743.db2.gz YNKBLNWQYIGYBS-PMACEKPBSA-N 1 1 452.521 4.767 20 0 JJADMO C[N@H+](Cc1cc(F)ccc1Oc1ccc(Br)cc1)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC001460800027 1067726561 /nfs/dbraw/zinc/72/65/61/1067726561.db2.gz HEXYYFSZPSVWMR-SIKLNZKXSA-N 1 1 452.364 4.724 20 0 JJADMO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001460822563 1067729424 /nfs/dbraw/zinc/72/94/24/1067729424.db2.gz VJHBNAGPAHNQKK-ZHRRBRCNSA-N 1 1 455.521 4.898 20 0 JJADMO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001460822563 1067729432 /nfs/dbraw/zinc/72/94/32/1067729432.db2.gz VJHBNAGPAHNQKK-ZHRRBRCNSA-N 1 1 455.521 4.898 20 0 JJADMO CC(C)(C)OC(=O)NC1CCC2(CC1)C[N@@H+](CCc1cccc(OC(F)(F)F)c1)CCO2 ZINC001460840336 1067732706 /nfs/dbraw/zinc/73/27/06/1067732706.db2.gz FBQNXPUHCHZWQW-UHFFFAOYSA-N 1 1 458.521 4.666 20 0 JJADMO COc1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)c(Cl)c(OC)c1 ZINC001460843995 1067733065 /nfs/dbraw/zinc/73/30/65/1067733065.db2.gz ZCERVRUWJGYXHD-LEWJYISDSA-N 1 1 451.954 4.607 20 0 JJADMO CCC1(CC)CN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CCS1 ZINC001546119564 1067734825 /nfs/dbraw/zinc/73/48/25/1067734825.db2.gz HWFCSIQGPWVMSR-JOCHJYFZSA-N 1 1 470.731 4.744 20 0 JJADMO Cc1noc(C[C@H]2CCC[N@@H+](C[C@H](O)c3ccc(-c4ccc(Br)cc4)cc3)C2)n1 ZINC001460857086 1067735516 /nfs/dbraw/zinc/73/55/16/1067735516.db2.gz MBVZJRNNSAKGNY-VGSWGCGISA-N 1 1 456.384 4.796 20 0 JJADMO COC(=O)c1cnc([C@@H]2CC[N@@H+]([C@@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)s1 ZINC001460867655 1067738048 /nfs/dbraw/zinc/73/80/48/1067738048.db2.gz OGPVZSSOFOQFEO-WCQYABFASA-N 1 1 452.458 4.549 20 0 JJADMO COC(=O)c1cnc([C@@H]2CC[N@H+]([C@@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)s1 ZINC001460867655 1067738057 /nfs/dbraw/zinc/73/80/57/1067738057.db2.gz OGPVZSSOFOQFEO-WCQYABFASA-N 1 1 452.458 4.549 20 0 JJADMO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@@H+](CC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC001460871519 1067739524 /nfs/dbraw/zinc/73/95/24/1067739524.db2.gz PEXXLDXAUULOTN-ZHRRBRCNSA-N 1 1 458.521 4.596 20 0 JJADMO CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C1 ZINC001460872403 1067739592 /nfs/dbraw/zinc/73/95/92/1067739592.db2.gz SMHDDCUPNVJADW-RUZDIDTESA-N 1 1 458.599 4.891 20 0 JJADMO CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C1 ZINC001460872403 1067739603 /nfs/dbraw/zinc/73/96/03/1067739603.db2.gz SMHDDCUPNVJADW-RUZDIDTESA-N 1 1 458.599 4.891 20 0 JJADMO O[C@H](COc1cccc(C(F)(F)F)c1)C[N@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001460874668 1067739904 /nfs/dbraw/zinc/73/99/04/1067739904.db2.gz RPLKNGNHLQCGBA-OALUTQOASA-N 1 1 458.318 4.915 20 0 JJADMO CC1(C)C[C@@H](C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)c2ccccc2O1 ZINC001460874425 1067739960 /nfs/dbraw/zinc/73/99/60/1067739960.db2.gz XNTSAWSECVQNKI-OAQYLSRUSA-N 1 1 457.412 4.875 20 0 JJADMO O=C(COc1cccc2ccccc21)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC001460875251 1067740365 /nfs/dbraw/zinc/74/03/65/1067740365.db2.gz VPAWCPQASROSHT-UHFFFAOYSA-N 1 1 453.380 4.762 20 0 JJADMO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2I)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460881224 1067741319 /nfs/dbraw/zinc/74/13/19/1067741319.db2.gz OJNUHCHQTSZLLO-TZMCWYRMSA-N 1 1 464.775 4.537 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2I)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460881224 1067741327 /nfs/dbraw/zinc/74/13/27/1067741327.db2.gz OJNUHCHQTSZLLO-TZMCWYRMSA-N 1 1 464.775 4.537 20 0 JJADMO CC(C)(C)OC(=O)N1CCC2(CC1)C[N@H+](Cc1ccccc1OCc1ccccc1)CCO2 ZINC001460891185 1067744207 /nfs/dbraw/zinc/74/42/07/1067744207.db2.gz VPCRBKCBEJVQHF-UHFFFAOYSA-N 1 1 452.595 4.868 20 0 JJADMO CC(C)(C)OC(=O)N1CCC2(CC1)C[N@@H+](Cc1ccccc1OCc1ccccc1)CCO2 ZINC001460891185 1067744215 /nfs/dbraw/zinc/74/42/15/1067744215.db2.gz VPCRBKCBEJVQHF-UHFFFAOYSA-N 1 1 452.595 4.868 20 0 JJADMO CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001460892411 1067744729 /nfs/dbraw/zinc/74/47/29/1067744729.db2.gz XGHDLISIJOQMHP-KRWDZBQOSA-N 1 1 450.583 4.660 20 0 JJADMO CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001460892411 1067744734 /nfs/dbraw/zinc/74/47/34/1067744734.db2.gz XGHDLISIJOQMHP-KRWDZBQOSA-N 1 1 450.583 4.660 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@@]2(CCC[N@@H+]2CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC001460914763 1067747430 /nfs/dbraw/zinc/74/74/30/1067747430.db2.gz BDPABMQCSMOSCM-SANMLTNESA-N 1 1 451.567 4.893 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@@]2(CCC[N@H+]2CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC001460914763 1067747437 /nfs/dbraw/zinc/74/74/37/1067747437.db2.gz BDPABMQCSMOSCM-SANMLTNESA-N 1 1 451.567 4.893 20 0 JJADMO COc1ccccc1N1CCC[N@@H+](Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001460931012 1067750047 /nfs/dbraw/zinc/75/00/47/1067750047.db2.gz PYUDNYRHZCJBIE-UHFFFAOYSA-N 1 1 451.611 4.701 20 0 JJADMO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)[C@@H]1C ZINC001460936910 1067750780 /nfs/dbraw/zinc/75/07/80/1067750780.db2.gz HTWIYIBXTSPYQT-XHYPOGGOSA-N 1 1 454.636 4.520 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@]12C[N@@H+](CC3CCN(C(=O)OC(C)(C)C)CC3)C[C@H]1CCCC2 ZINC001460978822 1067756050 /nfs/dbraw/zinc/75/60/50/1067756050.db2.gz VNWPFBSNMWDKGM-NLFFAJNJSA-N 1 1 451.652 4.650 20 0 JJADMO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC3(CCC[C@H]3CNC(=O)OC(C)(C)C)CC2)c1 ZINC001460982892 1067756888 /nfs/dbraw/zinc/75/68/88/1067756888.db2.gz SCNFWOZDKZANEZ-NQIIRXRSSA-N 1 1 457.615 4.623 20 0 JJADMO CN1CCN(c2ccc(C[NH2+]Cc3ccc(-c4ccccc4Br)cc3)cn2)CC1 ZINC001461020682 1067763417 /nfs/dbraw/zinc/76/34/17/1067763417.db2.gz IQNODQWSNWNINS-UHFFFAOYSA-N 1 1 451.412 4.553 20 0 JJADMO CCCC(=O)Nc1cccc(C[NH2+]Cc2ccc(N3CCC[C@@H](C(=O)OC(C)(C)C)C3)o2)c1 ZINC001461051308 1067769899 /nfs/dbraw/zinc/76/98/99/1067769899.db2.gz QAODMPSJBXQZBL-HXUWFJFHSA-N 1 1 455.599 4.866 20 0 JJADMO COc1ccc(CCC(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)cc1Br ZINC001461056994 1067771813 /nfs/dbraw/zinc/77/18/13/1067771813.db2.gz BIHNTCWVHJJFDZ-UHFFFAOYSA-N 1 1 452.418 4.642 20 0 JJADMO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]Cc2oc3ccccc3c2Br)cc1 ZINC001461100434 1067782012 /nfs/dbraw/zinc/78/20/12/1067782012.db2.gz VYMKSKDTJGTTLV-UHFFFAOYSA-N 1 1 451.386 4.514 20 0 JJADMO O=C(Nc1ccc(C[NH2+]Cc2cccc(F)c2I)cc1)c1ccco1 ZINC001461124507 1067786033 /nfs/dbraw/zinc/78/60/33/1067786033.db2.gz YARIRMBEUUBYRQ-UHFFFAOYSA-N 1 1 450.251 4.565 20 0 JJADMO Cc1ccc(-c2ncc(CNCc3cccc(OCC[N@@H+](C)C4CCOCC4)c3)s2)cc1 ZINC001461138232 1067787767 /nfs/dbraw/zinc/78/77/67/1067787767.db2.gz LYSGOWHLXYNODZ-UHFFFAOYSA-N 1 1 451.636 4.898 20 0 JJADMO Cc1ccc(-c2ncc(CNCc3cccc(OCC[N@H+](C)C4CCOCC4)c3)s2)cc1 ZINC001461138232 1067787772 /nfs/dbraw/zinc/78/77/72/1067787772.db2.gz LYSGOWHLXYNODZ-UHFFFAOYSA-N 1 1 451.636 4.898 20 0 JJADMO COc1ccc(Br)c(C[NH2+]Cc2ccc(OCCn3ccnc3)c(Cl)c2)c1 ZINC001461181923 1067794275 /nfs/dbraw/zinc/79/42/75/1067794275.db2.gz ALFXQRZKHURLTD-UHFFFAOYSA-N 1 1 450.764 4.676 20 0 JJADMO C[N@H+]1CCC[C@@H](CNCc2c(Br)cncc2Br)[C@@H]1c1cccs1 ZINC001461235173 1067806523 /nfs/dbraw/zinc/80/65/23/1067806523.db2.gz YOTLQMOUGUEUIB-YVEFUNNKSA-N 1 1 459.251 4.841 20 0 JJADMO CC1(C)Cc2cc(C[NH2+][C@@H](c3cccc(S(C)(=O)=O)c3)c3ccc(F)c(F)c3)ccc2O1 ZINC001461259990 1067812521 /nfs/dbraw/zinc/81/25/21/1067812521.db2.gz PZODTLYXMYIAGE-DEOSSOPVSA-N 1 1 457.542 4.961 20 0 JJADMO Clc1ccc2c(c1Cl)OC[C@H]2[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC001461265342 1067813909 /nfs/dbraw/zinc/81/39/09/1067813909.db2.gz OGWCIMKRNGHZSY-GOSISDBHSA-N 1 1 457.785 4.581 20 0 JJADMO C[C@@]1(NC(=O)c2ccc(OC(F)(F)F)cc2Br)CC[N@@H+](Cc2ccccc2)C1 ZINC001461270963 1067815166 /nfs/dbraw/zinc/81/51/66/1067815166.db2.gz GPHBHEJGUIRFTG-LJQANCHMSA-N 1 1 457.290 4.742 20 0 JJADMO C[C@]1(NC(=O)c2cnc(-c3ccccc3Br)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC001461276300 1067816223 /nfs/dbraw/zinc/81/62/23/1067816223.db2.gz ZWYWKAOFLSYRKV-QFIPXVFZSA-N 1 1 456.409 4.967 20 0 JJADMO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC001461307002 1067824548 /nfs/dbraw/zinc/82/45/48/1067824548.db2.gz HJSNQINRAHZXMH-DKKFBQAASA-N 1 1 450.549 4.676 20 0 JJADMO COC(=O)[C@]1(NC(=O)[C@H](CC(C)C)c2ccc(Cl)cc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001461308346 1067825282 /nfs/dbraw/zinc/82/52/82/1067825282.db2.gz XFKJWNIJKSKHET-BVAGGSTKSA-N 1 1 457.014 4.794 20 0 JJADMO COc1ccc2nc(C[NH2+]Cc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)sc2c1 ZINC001461347988 1067835559 /nfs/dbraw/zinc/83/55/59/1067835559.db2.gz UZVDYRVMCJUDRZ-UHFFFAOYSA-N 1 1 457.552 4.535 20 0 JJADMO CC[N@@H+](CCCNC(=O)[C@@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C)C1CCCCC1 ZINC001461358882 1067838225 /nfs/dbraw/zinc/83/82/25/1067838225.db2.gz JIGLEHNYVARIPK-QHCPKHFHSA-N 1 1 459.631 4.518 20 0 JJADMO C[C@@H](Cc1cc(Br)ccc1F)[NH2+]Cc1c(Cl)cccc1N1CCN(C)CC1 ZINC001461365682 1067839502 /nfs/dbraw/zinc/83/95/02/1067839502.db2.gz SWTXRMPNCSPLEZ-HNNXBMFYSA-N 1 1 454.815 4.714 20 0 JJADMO CCOc1cc(CNc2ccc3c(c2)[nH+]c(C(C)(C)C)n3C)ccc1O[C@@H](C)C(=O)N(C)C ZINC001461413697 1067850054 /nfs/dbraw/zinc/85/00/54/1067850054.db2.gz XCEGEYMRTJDVSU-KRWDZBQOSA-N 1 1 452.599 4.737 20 0 JJADMO CC(C)(O)C[N@H+]1CCc2c(cccc2NCc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC001461426258 1067853625 /nfs/dbraw/zinc/85/36/25/1067853625.db2.gz NJUDLHKEMRRPNQ-UHFFFAOYSA-N 1 1 455.400 4.580 20 0 JJADMO CC(C)(C)OC(=O)Nc1cnc(C[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)cn1 ZINC001461457978 1067861198 /nfs/dbraw/zinc/86/11/98/1067861198.db2.gz UIQQKMOAUQFXEX-GOSISDBHSA-N 1 1 451.340 4.966 20 0 JJADMO CCOc1c(Br)cc(CNc2ccc(Cl)c(C[N@@H+](C)CCO)c2)cc1OC ZINC001461460467 1067862166 /nfs/dbraw/zinc/86/21/66/1067862166.db2.gz PQKRQOAYXKNWAP-UHFFFAOYSA-N 1 1 457.796 4.546 20 0 JJADMO Cc1cc(C[NH2+]Cc2c(F)ccc(Br)c2F)ccc1I ZINC001461469147 1067864913 /nfs/dbraw/zinc/86/49/13/1067864913.db2.gz AKNJDOQNAFAYSO-UHFFFAOYSA-N 1 1 452.080 4.930 20 0 JJADMO CCOc1cc(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)ccc1OCC(F)(F)F ZINC001461482803 1067871766 /nfs/dbraw/zinc/87/17/66/1067871766.db2.gz GWLJLITZSRBPTL-HNNXBMFYSA-N 1 1 453.379 4.748 20 0 JJADMO CCOc1cc(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)ccc1OCC(F)(F)F ZINC001461482809 1067871865 /nfs/dbraw/zinc/87/18/65/1067871865.db2.gz GWLJLITZSRBPTL-OAHLLOKOSA-N 1 1 453.379 4.748 20 0 JJADMO Cc1c(Br)cc(CNc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)cc1Br ZINC001461534649 1067883829 /nfs/dbraw/zinc/88/38/29/1067883829.db2.gz XDQRPLUAVSWVHU-QGZVFWFLSA-N 1 1 454.206 4.699 20 0 JJADMO CCc1ccccc1[C@@H](C[NH2+]Cc1c(F)cncc1Br)NC(=O)OC(C)(C)C ZINC001461548952 1067886298 /nfs/dbraw/zinc/88/62/98/1067886298.db2.gz JFWVXGSZLKZXRB-LJQANCHMSA-N 1 1 452.368 4.901 20 0 JJADMO Cc1ccc(O[C@H](C)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C(C)C)C2)c(Br)c1 ZINC001461593366 1067896285 /nfs/dbraw/zinc/89/62/85/1067896285.db2.gz AHGXZHKOMQEPHU-KNQAVFIVSA-N 1 1 459.428 4.894 20 0 JJADMO CC(C)[C@H]1CN(C(=O)[C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001461597252 1067897584 /nfs/dbraw/zinc/89/75/84/1067897584.db2.gz IXLXOAHFVIDEBN-RBZQAINGSA-N 1 1 457.659 4.829 20 0 JJADMO CC(C)[C@@H]1CN(C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC001461598885 1067898434 /nfs/dbraw/zinc/89/84/34/1067898434.db2.gz NGQUHMAQUUGESN-DEOSSOPVSA-N 1 1 451.611 4.945 20 0 JJADMO COc1cc(C[NH2+]Cc2cc(Cl)ccc2I)ccc1OC(F)F ZINC001461628610 1067905340 /nfs/dbraw/zinc/90/53/40/1067905340.db2.gz HDIYZTUDAOTMDI-UHFFFAOYSA-N 1 1 453.654 4.844 20 0 JJADMO CC(C)(C)OC(=O)N1CCc2nc(C[NH2+]C[C@@H](O)c3ccc(Cl)c(Cl)c3)sc2C1 ZINC001461647512 1067908913 /nfs/dbraw/zinc/90/89/13/1067908913.db2.gz IUEKQRKOJPCDMY-MRXNPFEDSA-N 1 1 458.411 4.566 20 0 JJADMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)CCN1C(=O)OC(C)(C)C ZINC001461660048 1067912495 /nfs/dbraw/zinc/91/24/95/1067912495.db2.gz TZSUFKNQCBETJE-BXXSPATCSA-N 1 1 483.678 4.868 20 0 JJADMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)cc1 ZINC001461676365 1067915918 /nfs/dbraw/zinc/91/59/18/1067915918.db2.gz FBRXCDINPCLFPS-OAQYLSRUSA-N 1 1 452.986 4.662 20 0 JJADMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)cc1 ZINC001461676365 1067915923 /nfs/dbraw/zinc/91/59/23/1067915923.db2.gz FBRXCDINPCLFPS-OAQYLSRUSA-N 1 1 452.986 4.662 20 0 JJADMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)cc1 ZINC001461676359 1067916018 /nfs/dbraw/zinc/91/60/18/1067916018.db2.gz FBRXCDINPCLFPS-NRFANRHFSA-N 1 1 452.986 4.662 20 0 JJADMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)cc1 ZINC001461676359 1067916026 /nfs/dbraw/zinc/91/60/26/1067916026.db2.gz FBRXCDINPCLFPS-NRFANRHFSA-N 1 1 452.986 4.662 20 0 JJADMO O=C(CCc1cc(C(F)(F)F)ccc1Br)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001461719720 1067924851 /nfs/dbraw/zinc/92/48/51/1067924851.db2.gz STTZQSGBUIUHHG-GOSISDBHSA-N 1 1 455.318 4.791 20 0 JJADMO CC(C)(C)OC(=O)N1CCN(c2ccc(C[N@H+]3CC[C@@H](CSc4ccccc4)C3)o2)CC1 ZINC001461845374 1067945816 /nfs/dbraw/zinc/94/58/16/1067945816.db2.gz PWWBVKIYWWVTKR-HXUWFJFHSA-N 1 1 457.640 4.951 20 0 JJADMO COCC[N@@H+](Cc1cc(I)c(Br)cc1F)C1CCCC1 ZINC001461846943 1067945840 /nfs/dbraw/zinc/94/58/40/1067945840.db2.gz QDHHQMPKDJJBDC-UHFFFAOYSA-N 1 1 456.137 4.584 20 0 JJADMO COc1cccc(C[N@@H+](Cc2cc(OC)c(Br)cc2F)C2CCC(O)CC2)c1 ZINC001461856026 1067948589 /nfs/dbraw/zinc/94/85/89/1067948589.db2.gz WYUFNDJCQQGMDW-UHFFFAOYSA-N 1 1 452.364 4.911 20 0 JJADMO Brc1cc(Br)cc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC001461864786 1067950108 /nfs/dbraw/zinc/95/01/08/1067950108.db2.gz HZZPXJOFXLROMT-CQSZACIVSA-N 1 1 450.178 4.634 20 0 JJADMO Brc1cc(Br)cc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC001461864786 1067950109 /nfs/dbraw/zinc/95/01/09/1067950109.db2.gz HZZPXJOFXLROMT-CQSZACIVSA-N 1 1 450.178 4.634 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@](C)(C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)C1 ZINC001461898391 1067957051 /nfs/dbraw/zinc/95/70/51/1067957051.db2.gz MFSWBCLMYZTPFJ-DEOSSOPVSA-N 1 1 450.023 4.525 20 0 JJADMO Cc1ccccc1-c1ccccc1C[N@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC001461897982 1067957088 /nfs/dbraw/zinc/95/70/88/1067957088.db2.gz FCFXUIQFYXCEMK-JOCHJYFZSA-N 1 1 451.611 4.515 20 0 JJADMO CCOC(=O)Cn1cc(C[N@H+](Cc2ccccc2)Cc2ccccc2F)c(-c2cccnc2)n1 ZINC001461901341 1067957987 /nfs/dbraw/zinc/95/79/87/1067957987.db2.gz WROXVPBQXLVGGP-UHFFFAOYSA-N 1 1 458.537 4.850 20 0 JJADMO CCOC(=O)Cn1cc(C[N@@H+](Cc2ccccc2)Cc2ccccc2F)c(-c2cccnc2)n1 ZINC001461901341 1067957994 /nfs/dbraw/zinc/95/79/94/1067957994.db2.gz WROXVPBQXLVGGP-UHFFFAOYSA-N 1 1 458.537 4.850 20 0 JJADMO C[N@@H+](Cc1cccc(I)c1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001461906699 1067958779 /nfs/dbraw/zinc/95/87/79/1067958779.db2.gz LGKPHUUBMGPBGO-JWTNVVGKSA-N 1 1 456.368 4.654 20 0 JJADMO CCC[N@@H+](Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCc2ccccc2C1 ZINC001461910136 1067959678 /nfs/dbraw/zinc/95/96/78/1067959678.db2.gz FNALFKTUYYIKBG-PKTZIBPZSA-N 1 1 453.631 4.620 20 0 JJADMO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+](C)Cc2cccc(Cl)c2Cl)cnn1C ZINC001461930764 1067963197 /nfs/dbraw/zinc/96/31/97/1067963197.db2.gz YCGZUHVGNXHADQ-INIZCTEOSA-N 1 1 455.430 4.851 20 0 JJADMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001461955293 1067968286 /nfs/dbraw/zinc/96/82/86/1067968286.db2.gz NAZPFOFRVQYLKM-JOCHJYFZSA-N 1 1 453.583 4.631 20 0 JJADMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001461955293 1067968289 /nfs/dbraw/zinc/96/82/89/1067968289.db2.gz NAZPFOFRVQYLKM-JOCHJYFZSA-N 1 1 453.583 4.631 20 0 JJADMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001462037836 1067986009 /nfs/dbraw/zinc/98/60/09/1067986009.db2.gz UUPCBRSWXSQTKN-SFHVURJKSA-N 1 1 458.624 4.576 20 0 JJADMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001462037836 1067986015 /nfs/dbraw/zinc/98/60/15/1067986015.db2.gz UUPCBRSWXSQTKN-SFHVURJKSA-N 1 1 458.624 4.576 20 0 JJADMO COc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4ccc(Cl)cc4)cc3)CC2)cc1OC ZINC001462037714 1067986190 /nfs/dbraw/zinc/98/61/90/1067986190.db2.gz UKFWHVALXJUOGC-UHFFFAOYSA-N 1 1 450.966 4.982 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)c2c(Cl)n(C)nc2C(C)C)cc1 ZINC001462103994 1068003160 /nfs/dbraw/zinc/00/31/60/1068003160.db2.gz CTBIWBWRRZHGRX-FCHUYYIVSA-N 1 1 467.013 4.604 20 0 JJADMO CCCOc1nc(C)ccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001462106006 1068004312 /nfs/dbraw/zinc/00/43/12/1068004312.db2.gz HYGXEHHWSITYDY-IZZNHLLZSA-N 1 1 459.590 4.585 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)c2nc(Cl)ccc2Cl)cc1 ZINC001462108310 1068005330 /nfs/dbraw/zinc/00/53/30/1068005330.db2.gz MZMYMQOLGOHTHS-PZJWPPBQSA-N 1 1 456.373 4.795 20 0 JJADMO Cc1ccc(-c2noc(CCC(=O)N[C@H]3CCCCC[N@@H+](Cc4ccccc4)C3)n2)cc1F ZINC001462109255 1068005702 /nfs/dbraw/zinc/00/57/02/1068005702.db2.gz BNQNSEWDTWQPDS-QFIPXVFZSA-N 1 1 450.558 4.678 20 0 JJADMO CC[NH+]1CCN(c2cccc(NC3CCN(Cc4ccccc4Br)CC3)c2)CC1 ZINC001462131299 1068011929 /nfs/dbraw/zinc/01/19/29/1068011929.db2.gz WLISUSVYCKLLGD-UHFFFAOYSA-N 1 1 457.460 4.668 20 0 JJADMO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)cnn1C ZINC001462150971 1068016784 /nfs/dbraw/zinc/01/67/84/1068016784.db2.gz QRVYBMVVAQVHLB-CEYBMKEASA-N 1 1 452.643 4.823 20 0 JJADMO COC(=O)c1ccc(COc2ccc(C[NH2+]Cc3cc(F)c(Cl)cc3F)cc2OC)o1 ZINC001462167314 1068020605 /nfs/dbraw/zinc/02/06/05/1068020605.db2.gz CKCVCUQCFLDGDV-UHFFFAOYSA-N 1 1 451.853 4.875 20 0 JJADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1)OCc1ccccc1 ZINC001462178377 1068023013 /nfs/dbraw/zinc/02/30/13/1068023013.db2.gz PLPSAJUWEJKBIN-QFIPXVFZSA-N 1 1 452.986 4.723 20 0 JJADMO O=C(NC[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1)OCc1ccccc1 ZINC001462178377 1068023030 /nfs/dbraw/zinc/02/30/30/1068023030.db2.gz PLPSAJUWEJKBIN-QFIPXVFZSA-N 1 1 452.986 4.723 20 0 JJADMO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nc(-c2ccc(Br)cc2)no1 ZINC001462181497 1068023232 /nfs/dbraw/zinc/02/32/32/1068023232.db2.gz ARUHNYAGMBHERK-CZUORRHYSA-N 1 1 451.365 4.549 20 0 JJADMO C[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nc(-c2ccc(Br)cc2)no1 ZINC001462181500 1068023316 /nfs/dbraw/zinc/02/33/16/1068023316.db2.gz ARUHNYAGMBHERK-XJKSGUPXSA-N 1 1 451.365 4.549 20 0 JJADMO CCc1ccccc1Oc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)c(Cl)c1 ZINC001462180027 1068023389 /nfs/dbraw/zinc/02/33/89/1068023389.db2.gz USOQNDYCGVIUQH-UHFFFAOYSA-N 1 1 459.995 4.751 20 0 JJADMO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001462216232 1068030226 /nfs/dbraw/zinc/03/02/26/1068030226.db2.gz PHGDHCXPOMAZPV-INIZCTEOSA-N 1 1 454.402 4.843 20 0 JJADMO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001462216232 1068030242 /nfs/dbraw/zinc/03/02/42/1068030242.db2.gz PHGDHCXPOMAZPV-INIZCTEOSA-N 1 1 454.402 4.843 20 0 JJADMO C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@@H+]2Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC001462222841 1068031915 /nfs/dbraw/zinc/03/19/15/1068031915.db2.gz CTOZIYFMRLIOTG-SJORKVTESA-N 1 1 452.621 4.713 20 0 JJADMO C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@H+]2Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC001462222841 1068031926 /nfs/dbraw/zinc/03/19/26/1068031926.db2.gz CTOZIYFMRLIOTG-SJORKVTESA-N 1 1 452.621 4.713 20 0 JJADMO C[C@H]1CCCN(C(=O)OC[C@H]2CCCC[N@@H+]2Cc2ccc(C(=O)OCc3ccccc3)[nH]2)C1 ZINC001462230095 1068034025 /nfs/dbraw/zinc/03/40/25/1068034025.db2.gz UDKSONPIUIDAFF-NZQKXSOJSA-N 1 1 453.583 4.595 20 0 JJADMO C[C@H]1CCCN(C(=O)OC[C@H]2CCCC[N@H+]2Cc2ccc(C(=O)OCc3ccccc3)[nH]2)C1 ZINC001462230095 1068034040 /nfs/dbraw/zinc/03/40/40/1068034040.db2.gz UDKSONPIUIDAFF-NZQKXSOJSA-N 1 1 453.583 4.595 20 0 JJADMO C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@@H+]2Cc2ccc(C(=O)OCc3ccccc3)[nH]2)C1 ZINC001462230100 1068034080 /nfs/dbraw/zinc/03/40/80/1068034080.db2.gz UDKSONPIUIDAFF-OFNKIYASSA-N 1 1 453.583 4.595 20 0 JJADMO C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@H+]2Cc2ccc(C(=O)OCc3ccccc3)[nH]2)C1 ZINC001462230100 1068034090 /nfs/dbraw/zinc/03/40/90/1068034090.db2.gz UDKSONPIUIDAFF-OFNKIYASSA-N 1 1 453.583 4.595 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001462268898 1068041486 /nfs/dbraw/zinc/04/14/86/1068041486.db2.gz GABMIKRDYVQWFC-ZEQKJWHPSA-N 1 1 456.696 4.859 20 0 JJADMO O[C@@H](c1ccc(Br)cc1)[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC001462293090 1068045324 /nfs/dbraw/zinc/04/53/24/1068045324.db2.gz HODBWIKSXYUPTB-REWPJTCUSA-N 1 1 458.375 4.779 20 0 JJADMO COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)cc1OC1CC1 ZINC001462341526 1068055067 /nfs/dbraw/zinc/05/50/67/1068055067.db2.gz XFTYAQUKDVMHBP-RBBKRZOGSA-N 1 1 456.558 4.868 20 0 JJADMO CCOc1cc(C[N@H+]2CC3(CCOCC3)[C@@H]2C(C)C)ccc1OCc1ccc(C(=O)OC)o1 ZINC001462349137 1068056719 /nfs/dbraw/zinc/05/67/19/1068056719.db2.gz SRLHQXUMJATMCI-DEOSSOPVSA-N 1 1 457.567 4.681 20 0 JJADMO COc1ccc(OC)c2sc(NC(=O)c3ccccc3OCC[N@H+]3CCCC[C@@H]3C)nc21 ZINC001462359986 1068059391 /nfs/dbraw/zinc/05/93/91/1068059391.db2.gz GQLUGACHSUQXID-INIZCTEOSA-N 1 1 455.580 4.819 20 0 JJADMO Cc1ccc(-c2ncc(C[N@@H+]3C[C@@H](c4cnn(C)c4)[C@H](NC(=O)OC(C)(C)C)C3)s2)cc1C ZINC001462368770 1068061663 /nfs/dbraw/zinc/06/16/63/1068061663.db2.gz BQFVJRCCNMMNSI-FCHUYYIVSA-N 1 1 467.639 4.653 20 0 JJADMO COC(=O)[C@@H](C)Oc1ccc(C[NH+]2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)cc1 ZINC001462383371 1068063941 /nfs/dbraw/zinc/06/39/41/1068063941.db2.gz NWDAHXXHKPQUQI-CQSZACIVSA-N 1 1 457.785 4.909 20 0 JJADMO COCC[N@@H+](Cc1cnc(-c2ccco2)s1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001462398683 1068065529 /nfs/dbraw/zinc/06/55/29/1068065529.db2.gz YWBLZDSUDUFZIS-UHFFFAOYSA-N 1 1 455.580 4.653 20 0 JJADMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001462400342 1068066231 /nfs/dbraw/zinc/06/62/31/1068066231.db2.gz XTLPIYRMDYNXDU-XMSQKQJNSA-N 1 1 459.631 4.857 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC001462410556 1068068218 /nfs/dbraw/zinc/06/82/18/1068068218.db2.gz ZVTFQUVYSPDMRK-SQGPQFPESA-N 1 1 458.521 4.711 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)/C=C/c3ccsc3C(F)(F)F)C2)O1 ZINC001462445666 1068076178 /nfs/dbraw/zinc/07/61/78/1068076178.db2.gz QEONOPQVYJCMEN-HIHYSUTISA-N 1 1 450.526 4.672 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)/C=C/c3ccsc3C(F)(F)F)C2)O1 ZINC001462445666 1068076193 /nfs/dbraw/zinc/07/61/93/1068076193.db2.gz QEONOPQVYJCMEN-HIHYSUTISA-N 1 1 450.526 4.672 20 0 JJADMO CC(=O)Nc1cc(Br)ccc1C[N@@H+]1CCc2cc(F)cc(Br)c2C1 ZINC001462483105 1068083036 /nfs/dbraw/zinc/08/30/36/1068083036.db2.gz VNURMBXRFZHXKS-UHFFFAOYSA-N 1 1 456.153 4.867 20 0 JJADMO CC(=O)Nc1cc(Br)ccc1C[N@H+]1CCc2cc(F)cc(Br)c2C1 ZINC001462483105 1068083047 /nfs/dbraw/zinc/08/30/47/1068083047.db2.gz VNURMBXRFZHXKS-UHFFFAOYSA-N 1 1 456.153 4.867 20 0 JJADMO CN(C)C(=O)NCCc1ccc(N[C@@H]2CC[N@H+](C)[C@H](c3ccc(Br)cc3)C2)cc1 ZINC001462490907 1068084359 /nfs/dbraw/zinc/08/43/59/1068084359.db2.gz KGXSPIQAKCEEKW-YADHBBJMSA-N 1 1 459.432 4.510 20 0 JJADMO CN(C)C(=O)NCCc1ccc(N[C@@H]2CC[N@@H+](C)[C@H](c3ccc(Br)cc3)C2)cc1 ZINC001462490907 1068084375 /nfs/dbraw/zinc/08/43/75/1068084375.db2.gz KGXSPIQAKCEEKW-YADHBBJMSA-N 1 1 459.432 4.510 20 0 JJADMO CC(C)(C)OC(=O)N1CC(c2cc(CN[C@@H]3CCCCC[N@@H+](Cc4ccccc4)C3)on2)C1 ZINC001462500603 1068086725 /nfs/dbraw/zinc/08/67/25/1068086725.db2.gz CYNPRLYQNREOAO-JOCHJYFZSA-N 1 1 454.615 4.543 20 0 JJADMO CC(C)(C)OC(=O)N1CC(c2cc(C[NH2+][C@@H]3CCCCCN(Cc4ccccc4)C3)on2)C1 ZINC001462500603 1068086740 /nfs/dbraw/zinc/08/67/40/1068086740.db2.gz CYNPRLYQNREOAO-JOCHJYFZSA-N 1 1 454.615 4.543 20 0 JJADMO CN(C)c1nc(C[N@H+]2CC[C@H]3CSC[C@H]3C2)c(Cl)n1-c1ccc(Br)cc1 ZINC001462521926 1068091094 /nfs/dbraw/zinc/09/10/94/1068091094.db2.gz KEZGXWVEIPKEEB-UONOGXRCSA-N 1 1 455.853 4.539 20 0 JJADMO CCOC(=O)c1sc(CC2CC[NH+](Cc3cc(OC)c(OC)cc3Cl)CC2)nc1C ZINC001462550838 1068096568 /nfs/dbraw/zinc/09/65/68/1068096568.db2.gz QYMBAPLLJSHEFY-UHFFFAOYSA-N 1 1 453.004 4.754 20 0 JJADMO CC(=O)N(c1nc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)cs1)c1cccc(Cl)c1 ZINC001462554475 1068097619 /nfs/dbraw/zinc/09/76/19/1068097619.db2.gz NRPFAFBHTRYIEB-FQEVSTJZSA-N 1 1 450.391 4.828 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCC[N@H+]([C@H]2CCC3(C[C@@H]2F)OCCO3)C1)C1CCCC1 ZINC001462561489 1068098676 /nfs/dbraw/zinc/09/86/76/1068098676.db2.gz CMFPNQRZKUJHIR-UVUJQTEASA-N 1 1 454.627 4.806 20 0 JJADMO COc1cc(C[NH2+]CCCCCN2CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)c1 ZINC001462563656 1068099048 /nfs/dbraw/zinc/09/90/48/1068099048.db2.gz IHJGDBYVMKQFFO-UHFFFAOYSA-N 1 1 459.553 4.527 20 0 JJADMO CCOc1cc(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C2)cc(Cl)c1O ZINC001462579515 1068103138 /nfs/dbraw/zinc/10/31/38/1068103138.db2.gz VUZGPONEJIERBY-KBPBESRZSA-N 1 1 452.901 4.579 20 0 JJADMO CCOc1cc(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C2)cc(Cl)c1O ZINC001462579515 1068103141 /nfs/dbraw/zinc/10/31/41/1068103141.db2.gz VUZGPONEJIERBY-KBPBESRZSA-N 1 1 452.901 4.579 20 0 JJADMO COC(=O)c1ccc(COc2ccc(C[N@H+]3C[C@@H]4CCC[C@]4(C(F)(F)F)C3)cc2OC)o1 ZINC001462587827 1068105258 /nfs/dbraw/zinc/10/52/58/1068105258.db2.gz OFFFXHDWRPWMIF-AOMKIAJQSA-N 1 1 453.457 4.818 20 0 JJADMO CCC1(Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CCC[N@H+](C(C)C)CC2)CCOCC1 ZINC001546132663 1068107515 /nfs/dbraw/zinc/10/75/15/1068107515.db2.gz PSTNRQHYJRKIRD-UHFFFAOYSA-N 1 1 499.700 4.868 20 0 JJADMO C[C@@H]1C[C@H](C[N@H+]2CC[C@@]3(C2)CCCCN3C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC001462601883 1068109542 /nfs/dbraw/zinc/10/95/42/1068109542.db2.gz FYVBCRWFKVDGQM-UMEGOILYSA-N 1 1 451.652 4.888 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)CCOc2ccccc2-c2ccccc2)CCOCC1 ZINC001462643856 1068122569 /nfs/dbraw/zinc/12/25/69/1068122569.db2.gz ISZQUNPNIULUEM-UHFFFAOYSA-N 1 1 458.602 4.920 20 0 JJADMO CC(C)(C)OC(=O)Nc1cccc2c1C[N@H+](C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CC2 ZINC001462682888 1068131430 /nfs/dbraw/zinc/13/14/30/1068131430.db2.gz JBUIOBVHNHZQEQ-MRXNPFEDSA-N 1 1 455.546 4.940 20 0 JJADMO CC(C)(C)OC(=O)Nc1cccc2c1C[N@@H+](C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CC2 ZINC001462682888 1068131438 /nfs/dbraw/zinc/13/14/38/1068131438.db2.gz JBUIOBVHNHZQEQ-MRXNPFEDSA-N 1 1 455.546 4.940 20 0 JJADMO COC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC001462716339 1068140688 /nfs/dbraw/zinc/14/06/88/1068140688.db2.gz XBSKOGBXZAMEGP-VWLOTQADSA-N 1 1 456.542 4.579 20 0 JJADMO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC001462750024 1068154447 /nfs/dbraw/zinc/15/44/47/1068154447.db2.gz RTQLOAHLEMOTKC-VQTJNVASSA-N 1 1 451.419 4.882 20 0 JJADMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@H]12)c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC001462750024 1068154453 /nfs/dbraw/zinc/15/44/53/1068154453.db2.gz RTQLOAHLEMOTKC-VQTJNVASSA-N 1 1 451.419 4.882 20 0 JJADMO Cc1cc(CNS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)ccc1F ZINC001462771309 1068163062 /nfs/dbraw/zinc/16/30/62/1068163062.db2.gz PELZTZAJPXUHMR-UKILVPOCSA-N 1 1 473.013 4.875 20 0 JJADMO CN(Cc1ccsc1)S(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001462788915 1068167998 /nfs/dbraw/zinc/16/79/98/1068167998.db2.gz NLVSWRRSGBPKIP-XZOQPEGZSA-N 1 1 461.052 4.831 20 0 JJADMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)c1ccsc1 ZINC001462825613 1068178420 /nfs/dbraw/zinc/17/84/20/1068178420.db2.gz HYYCJGMZOAKNET-KRWDZBQOSA-N 1 1 456.058 4.886 20 0 JJADMO O=S(=O)(Cc1cc(Cl)sc1Cl)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001462825366 1068178478 /nfs/dbraw/zinc/17/84/78/1068178478.db2.gz NDAANTHCEQYQPH-OAHLLOKOSA-N 1 1 453.844 4.965 20 0 JJADMO O=C(c1cc(Br)ccc1OC(F)F)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001462834420 1068183803 /nfs/dbraw/zinc/18/38/03/1068183803.db2.gz CXAFDXCOYYHTII-SJORKVTESA-N 1 1 465.338 4.645 20 0 JJADMO C[C@H](NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1cc(Cl)cc2c1OCC2 ZINC001463003828 1068246192 /nfs/dbraw/zinc/24/61/92/1068246192.db2.gz VRSVOLLEQRQZCG-OYHNWAKOSA-N 1 1 452.904 4.907 20 0 JJADMO CC[N@@H+](CCC1CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1)CC1CC1 ZINC001546136591 1068288763 /nfs/dbraw/zinc/28/87/63/1068288763.db2.gz KQRUXCWJWDJTRY-XMMPIXPASA-N 1 1 457.659 4.656 20 0 JJADMO CC[N@@H+](CCC1CCN(C(=O)c2cccnc2SCc2c(C)noc2C)CC1)CC1CC1 ZINC001546136603 1068289032 /nfs/dbraw/zinc/28/90/32/1068289032.db2.gz KXIHIWBZBRZTCE-UHFFFAOYSA-N 1 1 456.656 4.953 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(OCC2CCCCC2)cc1 ZINC001463120239 1068293655 /nfs/dbraw/zinc/29/36/55/1068293655.db2.gz IVOSOPMCVKQMOA-QFIPXVFZSA-N 1 1 456.652 4.931 20 0 JJADMO CCCC(CCC)N(CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)S(=O)(=O)c1cnc(Cl)c(OC)c1 ZINC001463144302 1068301558 /nfs/dbraw/zinc/30/15/58/1068301558.db2.gz CGLAUPDIXKSNLJ-JLYLLQBASA-N 1 1 458.068 4.576 20 0 JJADMO O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001463226007 1068327094 /nfs/dbraw/zinc/32/70/94/1068327094.db2.gz QIARGQFRBWYLDD-NRFANRHFSA-N 1 1 456.505 4.521 20 0 JJADMO COc1cc(C)c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1C(C)C ZINC001463286657 1068344719 /nfs/dbraw/zinc/34/47/19/1068344719.db2.gz ZPLPVLPPSQAXCX-LADGPHEKSA-N 1 1 456.652 4.802 20 0 JJADMO Cc1ccc(I)cc1C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001463341378 1068363011 /nfs/dbraw/zinc/36/30/11/1068363011.db2.gz CRLJVVIIOFCMIU-DYXWJJEUSA-N 1 1 474.386 4.630 20 0 JJADMO C[NH+](C)[C@@H](C(=O)NCCSc1ncc(C(F)(F)F)cc1Cl)c1cccc(Cl)c1 ZINC001463380110 1068377975 /nfs/dbraw/zinc/37/79/75/1068377975.db2.gz KHZPIQXCLXICSF-OAHLLOKOSA-N 1 1 452.329 4.918 20 0 JJADMO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC001463434886 1068396388 /nfs/dbraw/zinc/39/63/88/1068396388.db2.gz QOTRURXYNZDZEG-KZULUSFZSA-N 1 1 451.778 4.757 20 0 JJADMO C[N@H+]1CC[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC001463434886 1068396400 /nfs/dbraw/zinc/39/64/00/1068396400.db2.gz QOTRURXYNZDZEG-KZULUSFZSA-N 1 1 451.778 4.757 20 0 JJADMO Cc1ccc(S(=O)(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1C(F)(F)F ZINC001463460848 1068406724 /nfs/dbraw/zinc/40/67/24/1068406724.db2.gz VYAHJIRHVRQNRI-UHFFFAOYSA-N 1 1 452.542 4.691 20 0 JJADMO Cc1cc(C)n(CCCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)n1 ZINC001463541945 1068435252 /nfs/dbraw/zinc/43/52/52/1068435252.db2.gz LVYGBUPQMUKMGJ-LOSJGSFVSA-N 1 1 451.014 4.575 20 0 JJADMO C[NH+](C)[C@H](CNC(=O)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1ccccc1Cl ZINC001463558722 1068442537 /nfs/dbraw/zinc/44/25/37/1068442537.db2.gz BYHYSKGJKKTALJ-IFMALSPDSA-N 1 1 454.920 4.727 20 0 JJADMO CC(C)N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C(=O)OC(C)(C)C ZINC001463654663 1068483270 /nfs/dbraw/zinc/48/32/70/1068483270.db2.gz HFMSMOGLRVNCBD-UHFFFAOYSA-N 1 1 451.611 4.566 20 0 JJADMO CCC[N@@H+](C)[C@@H](CNS(=O)(=O)c1ccc(C)c(Br)c1)c1ccc(Cl)cc1 ZINC001463678404 1068491069 /nfs/dbraw/zinc/49/10/69/1068491069.db2.gz XOZOZIRZPYUBGB-IBGZPJMESA-N 1 1 459.837 4.772 20 0 JJADMO CC(C)(C)OC(=O)N1CCCCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001463725693 1068505384 /nfs/dbraw/zinc/50/53/84/1068505384.db2.gz NNXPAUXHDCRQIM-XMMPIXPASA-N 1 1 451.611 4.664 20 0 JJADMO CCC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)c2C1 ZINC001463773223 1068520394 /nfs/dbraw/zinc/52/03/94/1068520394.db2.gz BCEBQEQJUUSGJT-NHCUHLMSSA-N 1 1 451.655 4.863 20 0 JJADMO O=C([C@H](F)CN(Cc1ccccc1)Cc1ccccc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001463825471 1068536943 /nfs/dbraw/zinc/53/69/43/1068536943.db2.gz GYHRSHMPRUSLOM-MUUNZHRXSA-N 1 1 459.609 4.761 20 0 JJADMO CC(C)c1nc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)nn1-c1cccc(F)c1 ZINC001463825423 1068537192 /nfs/dbraw/zinc/53/71/92/1068537192.db2.gz GBAWMCUGNDEHPL-NRFANRHFSA-N 1 1 455.965 4.750 20 0 JJADMO O=Cc1ccc(OCc2occc2C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC001463825651 1068537543 /nfs/dbraw/zinc/53/75/43/1068537543.db2.gz JBJZSKYSANWWPB-HSZRJFAPSA-N 1 1 452.938 4.891 20 0 JJADMO Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc(C[NH+](C)C)c2)ccc1Cl ZINC001463868477 1068551467 /nfs/dbraw/zinc/55/14/67/1068551467.db2.gz FBZOJSWGNQCINC-UHFFFAOYSA-N 1 1 457.983 4.763 20 0 JJADMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(-c4cccc(Br)c4)no3)CC2)cc1 ZINC001463908242 1068561781 /nfs/dbraw/zinc/56/17/81/1068561781.db2.gz QIRWXSGYUPNFCA-UHFFFAOYSA-N 1 1 454.368 4.761 20 0 JJADMO Cc1nc(S(=O)(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)c(-c2ccccc2)s1 ZINC001463998440 1068584141 /nfs/dbraw/zinc/58/41/41/1068584141.db2.gz DSXYHDAWAXTTMN-OTWHNJEPSA-N 1 1 455.649 4.791 20 0 JJADMO Cc1nc(S(=O)(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)c(-c2ccccc2)s1 ZINC001463998440 1068584148 /nfs/dbraw/zinc/58/41/48/1068584148.db2.gz DSXYHDAWAXTTMN-OTWHNJEPSA-N 1 1 455.649 4.791 20 0 JJADMO Cc1cc2cc(S(=O)(=O)N3C[C@H](C)[N@@H+](Cc4ccccc4)[C@H](C)[C@@H]3C)ccc2nc1Cl ZINC001464006813 1068587086 /nfs/dbraw/zinc/58/70/86/1068587086.db2.gz VLYILQXSHXYZMD-OTWHNJEPSA-N 1 1 458.027 4.869 20 0 JJADMO Cc1cc2cc(S(=O)(=O)N3C[C@H](C)[N@H+](Cc4ccccc4)[C@H](C)[C@@H]3C)ccc2nc1Cl ZINC001464006813 1068587095 /nfs/dbraw/zinc/58/70/95/1068587095.db2.gz VLYILQXSHXYZMD-OTWHNJEPSA-N 1 1 458.027 4.869 20 0 JJADMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC001464011919 1068588101 /nfs/dbraw/zinc/58/81/01/1068588101.db2.gz UUEYJVQVNYKYLZ-WBVHZDCISA-N 1 1 460.905 4.544 20 0 JJADMO Nc1c(Br)cccc1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001546143666 1068591230 /nfs/dbraw/zinc/59/12/30/1068591230.db2.gz QSURSNVCGGCWGB-UHFFFAOYSA-N 1 1 457.199 4.733 20 0 JJADMO CC[C@H](CNC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl)[N@H+]1CCc2ccccc2C1 ZINC001464099787 1068615467 /nfs/dbraw/zinc/61/54/67/1068615467.db2.gz LHRBOVVTWNZFFC-OAQYLSRUSA-N 1 1 456.030 4.569 20 0 JJADMO Cc1ccc(CCC(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(Br)c1 ZINC001464121659 1068622356 /nfs/dbraw/zinc/62/23/56/1068622356.db2.gz MVUSWLOBCBEGQO-KDURUIRLSA-N 1 1 459.428 4.616 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3cc4ccccc4n3CC(F)(F)F)cc2)C[C@H](C)O1 ZINC001464122177 1068622485 /nfs/dbraw/zinc/62/24/85/1068622485.db2.gz RCULXXQJLAKBNP-HDICACEKSA-N 1 1 459.512 4.743 20 0 JJADMO CCN1CC[NH+](Cc2ccc(NC(=O)c3cc(Cl)c(C)cc3Br)cc2)CC1 ZINC001464123078 1068623090 /nfs/dbraw/zinc/62/30/90/1068623090.db2.gz BPMJHOZSLWABKU-UHFFFAOYSA-N 1 1 450.808 4.801 20 0 JJADMO CCN1CC[NH+](Cc2ccc(NC(=O)C(C)(C)Cc3ccc(Br)cc3)cc2)CC1 ZINC001464128000 1068625421 /nfs/dbraw/zinc/62/54/21/1068625421.db2.gz ZZTWTDKDJBCWPK-UHFFFAOYSA-N 1 1 458.444 4.794 20 0 JJADMO CCc1c(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cnn1-c1ccccc1OC ZINC001464139411 1068631113 /nfs/dbraw/zinc/63/11/13/1068631113.db2.gz YSCPKIRLWPSOTQ-QHCPKHFHSA-N 1 1 452.986 4.664 20 0 JJADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)cc2)C1 ZINC001464154792 1068635788 /nfs/dbraw/zinc/63/57/88/1068635788.db2.gz QDCGYRRSWOLRJF-NZQKXSOJSA-N 1 1 455.643 4.572 20 0 JJADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC001464156576 1068636146 /nfs/dbraw/zinc/63/61/46/1068636146.db2.gz WUDOITMTGSRLSP-JOCHJYFZSA-N 1 1 455.602 4.632 20 0 JJADMO CCN1CC[NH+](Cc2ccc(CNC(=O)c3cc(C)n([C@H](C)c4ccccc4)c3C)cc2)CC1 ZINC001464157470 1068636448 /nfs/dbraw/zinc/63/64/48/1068636448.db2.gz HAHVMXPLGQSYGW-HSZRJFAPSA-N 1 1 458.650 4.782 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)C1 ZINC001464191864 1068650195 /nfs/dbraw/zinc/65/01/95/1068650195.db2.gz DZRZNDYFXWQZRP-HDICACEKSA-N 1 1 457.018 4.841 20 0 JJADMO CCn1c2ccccc2nc1SCC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001464192004 1068650344 /nfs/dbraw/zinc/65/03/44/1068650344.db2.gz GWBAQEDSEOFCIC-BGYRXZFFSA-N 1 1 450.652 4.943 20 0 JJADMO C[C@H](CNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)[N@H+]1CCCC[C@@H]1C ZINC001464199762 1068653391 /nfs/dbraw/zinc/65/33/91/1068653391.db2.gz OYMAXNOCZQQSMW-RBUKOAKNSA-N 1 1 455.002 4.648 20 0 JJADMO C[C@@H](CNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)[N@H+]1CCCC[C@@H]1C ZINC001464199757 1068653467 /nfs/dbraw/zinc/65/34/67/1068653467.db2.gz OYMAXNOCZQQSMW-OALUTQOASA-N 1 1 455.002 4.648 20 0 JJADMO COc1ccccc1-c1ccc(C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)c(=O)[nH]1 ZINC001464213371 1068659909 /nfs/dbraw/zinc/65/99/09/1068659909.db2.gz RNEREKAELWSWKH-BGYRXZFFSA-N 1 1 459.590 4.871 20 0 JJADMO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cccc(I)c2O)cc1 ZINC001464239857 1068671169 /nfs/dbraw/zinc/67/11/69/1068671169.db2.gz RTVDLIGDSWVKHE-AWEZNQCLSA-N 1 1 450.320 4.624 20 0 JJADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cccc(I)c2O)cc1 ZINC001464239857 1068671180 /nfs/dbraw/zinc/67/11/80/1068671180.db2.gz RTVDLIGDSWVKHE-AWEZNQCLSA-N 1 1 450.320 4.624 20 0 JJADMO O=C(c1c(F)c(F)c(Br)c(F)c1F)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001464376139 1068724230 /nfs/dbraw/zinc/72/42/30/1068724230.db2.gz CAJVICQTQGGQNO-UHFFFAOYSA-N 1 1 451.302 4.734 20 0 JJADMO CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001464444725 1068748366 /nfs/dbraw/zinc/74/83/66/1068748366.db2.gz VELHWFUATGRQPL-PZUNEJSGSA-N 1 1 469.670 4.688 20 0 JJADMO CCNC(=O)Nc1cccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)c1 ZINC001464539532 1068776147 /nfs/dbraw/zinc/77/61/47/1068776147.db2.gz SXGNBDWBLLGQRP-LEAFIULHSA-N 1 1 456.590 4.856 20 0 JJADMO COc1c(C)cnc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)c1C ZINC001464612164 1068798693 /nfs/dbraw/zinc/79/86/93/1068798693.db2.gz OIVNJZBVCQFXOJ-BJKOFHAPSA-N 1 1 464.009 4.892 20 0 JJADMO Cc1ccc(S(=O)(=O)N[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1Cl ZINC001464683097 1068823808 /nfs/dbraw/zinc/82/38/08/1068823808.db2.gz AKLUQSKTZIIZHA-UKILVPOCSA-N 1 1 455.023 4.985 20 0 JJADMO O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)c2cn[nH]c2-c2cccc(Cl)c2)c1 ZINC001464690793 1068826282 /nfs/dbraw/zinc/82/62/82/1068826282.db2.gz SFBAHMPHSRUJRZ-UHFFFAOYSA-N 1 1 451.958 4.797 20 0 JJADMO O=S(=O)(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1ccc(Cl)cc1Cl ZINC001464703908 1068830791 /nfs/dbraw/zinc/83/07/91/1068830791.db2.gz DQEJSNGZCNOAFC-RBBKRZOGSA-N 1 1 461.414 4.940 20 0 JJADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H](c4ccccc4)C(=O)N3CCOC)CC2)nc1 ZINC001164430695 718954397 /nfs/dbraw/zinc/95/43/97/718954397.db2.gz WGOKIACMLSLICQ-UIOOFZCWSA-N 1 1 476.665 4.630 20 0 JJADMO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164627376 719095023 /nfs/dbraw/zinc/09/50/23/719095023.db2.gz JYMFQSFXLLOTDE-VQTJNVASSA-N 1 1 455.940 4.838 20 0 JJADMO Cc1noc([C@@H]2C[C@H]3CCN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCCC6)C[C@H]3O2)n1 ZINC001164655384 719300390 /nfs/dbraw/zinc/30/03/90/719300390.db2.gz TUAWRWCEGWANOU-YZGWKJHDSA-N 1 1 494.665 4.604 20 0 JJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)CC2 ZINC001164652200 719314654 /nfs/dbraw/zinc/31/46/54/719314654.db2.gz PGWPGLREBLHXAA-UHFFFAOYSA-N 1 1 452.764 4.988 20 0 JJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncnc3cc(OCc4ccccc4)ccc31)CC2 ZINC001164651893 719317489 /nfs/dbraw/zinc/31/74/89/719317489.db2.gz IFRKEAXDWMESEZ-UHFFFAOYSA-N 1 1 456.594 4.611 20 0 JJADMO COc1ccccc1-c1cc(C(F)(F)N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c(Cl)nn1 ZINC001164654524 719317801 /nfs/dbraw/zinc/31/78/01/719317801.db2.gz QYSJODVTCJBUMP-UHFFFAOYSA-N 1 1 490.986 4.752 20 0 JJADMO COc1cccc(-c2cc(C(F)(F)N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)c(Cl)nn2)c1 ZINC001164654102 719318110 /nfs/dbraw/zinc/31/81/10/719318110.db2.gz ONTRWIBPELPUBT-UHFFFAOYSA-N 1 1 490.986 4.752 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3nc(C(=O)N(CC)CC)sc3CC2)nc1 ZINC001164663384 719359959 /nfs/dbraw/zinc/35/99/59/719359959.db2.gz DMLXHWRJAIJGAJ-OAQYLSRUSA-N 1 1 455.672 4.562 20 0 JJADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)nc1 ZINC001164679077 719531404 /nfs/dbraw/zinc/53/14/04/719531404.db2.gz RHSGBUMNEOZGPY-VWLOTQADSA-N 1 1 452.618 4.639 20 0 JJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCC(=O)N3Cc3csc(C)n3)CC2)nc1 ZINC001164682464 719594183 /nfs/dbraw/zinc/59/41/83/719594183.db2.gz BYJMKIVQWSWWMP-JOCHJYFZSA-N 1 1 453.656 4.555 20 0 JJADMO COC[C@H]1CN(c2nc(C[NH+]3CCCCC3)nc3scc(-c4cccs4)c32)Cc2cn(C)nc21 ZINC001164695770 719832911 /nfs/dbraw/zinc/83/29/11/719832911.db2.gz OMBDMSACGREMOV-GOSISDBHSA-N 1 1 494.690 4.889 20 0 JJADMO FC(F)(c1nc(Cl)c2ccccc2n1)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164695059 719887387 /nfs/dbraw/zinc/88/73/87/719887387.db2.gz JTMVREWOPUEGHX-UHFFFAOYSA-N 1 1 464.969 4.761 20 0 JJADMO Clc1cc(Cc2ccccc2)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164697115 719896040 /nfs/dbraw/zinc/89/60/40/719896040.db2.gz JWPOOUVVQSOIIJ-UHFFFAOYSA-N 1 1 455.027 4.654 20 0 JJADMO Clc1cc(Cc2ccccc2)nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164697115 719896042 /nfs/dbraw/zinc/89/60/42/719896042.db2.gz JWPOOUVVQSOIIJ-UHFFFAOYSA-N 1 1 455.027 4.654 20 0 JJADMO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164696221 719896997 /nfs/dbraw/zinc/89/69/97/719896997.db2.gz CLHRQIPWFVUYFX-UHFFFAOYSA-N 1 1 452.958 4.694 20 0 JJADMO Fc1ccc(-c2nc(Cl)cc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)n2)cc1 ZINC001164707359 719899775 /nfs/dbraw/zinc/89/97/75/719899775.db2.gz QFUYJIJYVXLQLN-UHFFFAOYSA-N 1 1 458.990 4.869 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3cc(Cl)c(Cl)cc3nc1Cl)C2 ZINC001164806391 720094213 /nfs/dbraw/zinc/09/42/13/720094213.db2.gz BXGRBSNUPCQDRA-SPLOXXLWSA-N 1 1 455.817 4.775 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc3cc(Cl)c(Cl)cc3nc1Cl)C2 ZINC001164806392 720094426 /nfs/dbraw/zinc/09/44/26/720094426.db2.gz BXGRBSNUPCQDRA-SZNDQCEHSA-N 1 1 455.817 4.775 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)nc(Cl)c1)CC2 ZINC001164711077 720096391 /nfs/dbraw/zinc/09/63/91/720096391.db2.gz NWBQKZJUOMRRLF-SFHVURJKSA-N 1 1 471.379 4.836 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)C2 ZINC001164806716 720100758 /nfs/dbraw/zinc/10/07/58/720100758.db2.gz DAZPDCKURDNZPT-KKSFZXQISA-N 1 1 471.379 4.666 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccc(Cl)cc3)nn1)CC2 ZINC001164711999 720101417 /nfs/dbraw/zinc/10/14/17/720101417.db2.gz TWGNRXHQYCNIHI-HSZRJFAPSA-N 1 1 464.013 4.700 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3cc(C(C)(C)C)sc31)CC2 ZINC001164719098 720106648 /nfs/dbraw/zinc/10/66/48/720106648.db2.gz VZIQYQORZNRDGR-FQEVSTJZSA-N 1 1 465.667 4.891 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc3ccc(F)cc31)CC2 ZINC001164714091 720107709 /nfs/dbraw/zinc/10/77/09/720107709.db2.gz AAVNKXYEVWDBDJ-NRFANRHFSA-N 1 1 454.977 4.930 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3sc(C)cc31)CC2 ZINC001164717434 720109406 /nfs/dbraw/zinc/10/94/06/720109406.db2.gz OZBLUHLJLGEMCN-SFHVURJKSA-N 1 1 458.031 4.556 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc3ncnc(Cl)c3c1)CC2 ZINC001164716884 720111091 /nfs/dbraw/zinc/11/10/91/720111091.db2.gz LEEFJXUNIXEXFT-FQEVSTJZSA-N 1 1 487.982 4.731 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)CC2 ZINC001164718992 720119521 /nfs/dbraw/zinc/11/95/21/720119521.db2.gz UOURPRCWGXWTCB-SFHVURJKSA-N 1 1 475.971 4.664 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(SC)c(Cl)n1)CC2 ZINC001164717372 720122814 /nfs/dbraw/zinc/12/28/14/720122814.db2.gz NVSHAHLDGBCWHU-SFHVURJKSA-N 1 1 483.028 4.904 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc3ccccc3nc1Cl)CC2 ZINC001164714296 720126694 /nfs/dbraw/zinc/12/66/94/720126694.db2.gz BQFPOYQPOIWBSU-LJQANCHMSA-N 1 1 487.982 4.731 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccc3F)nc3ccc(C)cc31)C2 ZINC001164806989 720130949 /nfs/dbraw/zinc/13/09/49/720130949.db2.gz ADBFZMCALFBGAM-LYZGTLIUSA-N 1 1 460.597 4.929 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(Cc3ccccc3)n1)CC2 ZINC001164713573 720132067 /nfs/dbraw/zinc/13/20/67/720132067.db2.gz SDNYYMMWQMBXKW-DEOSSOPVSA-N 1 1 478.040 4.623 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(SC)cnc1Cl)CC2 ZINC001164712528 720137064 /nfs/dbraw/zinc/13/70/64/720137064.db2.gz NDYOISPCCGQFIK-SFHVURJKSA-N 1 1 483.028 4.904 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1c(OC)ccc3c(Cl)cc(Cl)nc31)C2 ZINC001164810433 720138970 /nfs/dbraw/zinc/13/89/70/720138970.db2.gz JRPNRIXAIREPKM-HJPURHCSSA-N 1 1 450.410 4.735 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3ccccc3nc1N1CCCCC1)CC2 ZINC001164712561 720139673 /nfs/dbraw/zinc/13/96/73/720139673.db2.gz NNSCGRJAYQVCKU-DEOSSOPVSA-N 1 1 486.664 4.523 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cccc3c(Cl)ncnc31)CC2 ZINC001164711246 720144406 /nfs/dbraw/zinc/14/44/06/720144406.db2.gz GJURCYFHESXIFP-LJQANCHMSA-N 1 1 487.982 4.731 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(F)ccc1-c1ccc(Cl)nn1)CC2 ZINC001164714039 720148822 /nfs/dbraw/zinc/14/88/22/720148822.db2.gz VMVVWYYGSJWOFK-OAQYLSRUSA-N 1 1 482.003 4.839 20 0 JJADMO CCN(c1ccccc1)c1cc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)ncn1 ZINC001164713121 720150543 /nfs/dbraw/zinc/15/05/43/720150543.db2.gz RDBRXXKEPGVUPW-RUZDIDTESA-N 1 1 472.637 4.537 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc3cc(F)c(Cl)cc31)CC2 ZINC001164714770 720152145 /nfs/dbraw/zinc/15/21/45/720152145.db2.gz YRRNBBSOWOYTJJ-FQEVSTJZSA-N 1 1 454.977 4.930 20 0 JJADMO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164713088 720153315 /nfs/dbraw/zinc/15/33/15/720153315.db2.gz QOFZNHVUEHLIAW-NQIIRXRSSA-N 1 1 458.050 4.854 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nnc(-c3ccc(F)c(F)c3)c3ccccc31)C2 ZINC001164816259 720166389 /nfs/dbraw/zinc/16/63/89/720166389.db2.gz KNCBNBNKCBZRLE-HRFSGMKKSA-N 1 1 464.560 4.760 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(-c4ccccc4)cc3)nn1)C2 ZINC001164814305 720182039 /nfs/dbraw/zinc/18/20/39/720182039.db2.gz FPSZJQJCOWBPOU-LITSAYRRSA-N 1 1 454.618 4.995 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)C2 ZINC001164815078 720182193 /nfs/dbraw/zinc/18/21/93/720182193.db2.gz HWZCTTOZNNHWPE-NZQKXSOJSA-N 1 1 462.972 4.527 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(CN(C)C)nc3scc(-c4ccccc4)c31)C2 ZINC001164816896 720186969 /nfs/dbraw/zinc/18/69/69/720186969.db2.gz NOSFGRDYSLWKBA-SKCUWOTOSA-N 1 1 491.705 4.605 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)C2 ZINC001164818718 720188791 /nfs/dbraw/zinc/18/87/91/720188791.db2.gz UIOMGTIVBNYJHB-NFBKMPQASA-N 1 1 462.972 4.527 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccccc1Cl)C2 ZINC001164810309 720197837 /nfs/dbraw/zinc/19/78/37/720197837.db2.gz BVSHKPYSXOQUCR-SBUREZEXSA-N 1 1 463.409 4.760 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3ccc(C)cc3)nnc1Cl)C2 ZINC001164814585 720203009 /nfs/dbraw/zinc/20/30/09/720203009.db2.gz UUNYPCFCBZLGKL-HYBUGGRVSA-N 1 1 476.999 4.835 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3ccc(C)cc3)nnc1Cl)C2 ZINC001164814586 720203363 /nfs/dbraw/zinc/20/33/63/720203363.db2.gz UUNYPCFCBZLGKL-RDPSFJRHSA-N 1 1 476.999 4.835 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3ccc(OC)cc3)nnc1Cl)C2 ZINC001164811514 720203621 /nfs/dbraw/zinc/20/36/21/720203621.db2.gz JDHPOGCOKPGQQY-DVECYGJZSA-N 1 1 492.998 4.535 20 0 JJADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cnc(-c3ccccc3)c(-c3ccccc3)n1)CCC2 ZINC001164813543 720223023 /nfs/dbraw/zinc/22/30/23/720223023.db2.gz OERFRFCKBIIYHP-UHFFFAOYSA-N 1 1 480.616 4.618 20 0 JJADMO Cc1nc2scc(-c3cccs3)c2c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164813878 720236651 /nfs/dbraw/zinc/23/66/51/720236651.db2.gz QVDMTGPYUYGDPH-UHFFFAOYSA-N 1 1 480.663 4.535 20 0 JJADMO O=C1N(CC2CC2)CC[C@]12CCCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164817841 720280853 /nfs/dbraw/zinc/28/08/53/720280853.db2.gz GCGANKWTRKYYJP-NDEPHWFRSA-N 1 1 493.721 4.785 20 0 JJADMO Cc1nc2c(cc(-c3nc(N4CC[C@H]5[C@@H]4CC[N@H+]5Cc4cccnc4)ncc3F)cc2F)n1C(C)C ZINC001164730996 720385118 /nfs/dbraw/zinc/38/51/18/720385118.db2.gz XSHDXGOUZCBFCT-GOTSBHOMSA-N 1 1 489.574 4.909 20 0 JJADMO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723780 720391512 /nfs/dbraw/zinc/39/15/12/720391512.db2.gz HIHIYLPVDINWIL-MSOLQXFVSA-N 1 1 450.320 4.730 20 0 JJADMO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164723780 720391515 /nfs/dbraw/zinc/39/15/15/720391515.db2.gz HIHIYLPVDINWIL-MSOLQXFVSA-N 1 1 450.320 4.730 20 0 JJADMO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730891 720408812 /nfs/dbraw/zinc/40/88/12/720408812.db2.gz JNSBFXXWLAAXPI-FCHUYYIVSA-N 1 1 480.971 4.966 20 0 JJADMO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164735096 720464722 /nfs/dbraw/zinc/46/47/22/720464722.db2.gz VYEUMVXRBBRGKS-XZOQPEGZSA-N 1 1 470.646 4.668 20 0 JJADMO Fc1ccccc1-c1cc(C(F)(F)N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c(Cl)nn1 ZINC001164725309 720484386 /nfs/dbraw/zinc/48/43/86/720484386.db2.gz JLZQJFMQVWNLMR-SFTDATJTSA-N 1 1 459.903 4.729 20 0 JJADMO Fc1ccccc1-c1cc(C(F)(F)N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c(Cl)nn1 ZINC001164725309 720484396 /nfs/dbraw/zinc/48/43/96/720484396.db2.gz JLZQJFMQVWNLMR-SFTDATJTSA-N 1 1 459.903 4.729 20 0 JJADMO Fc1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c(Cl)nn1 ZINC001164725307 720484657 /nfs/dbraw/zinc/48/46/57/720484657.db2.gz JLZQJFMQVWNLMR-NHCUHLMSSA-N 1 1 459.903 4.729 20 0 JJADMO Fc1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c(Cl)nn1 ZINC001164725307 720484659 /nfs/dbraw/zinc/48/46/59/720484659.db2.gz JLZQJFMQVWNLMR-NHCUHLMSSA-N 1 1 459.903 4.729 20 0 JJADMO COc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164725794 720485211 /nfs/dbraw/zinc/48/52/11/720485211.db2.gz KLCKGIIHTIDOAG-FCHUYYIVSA-N 1 1 471.939 4.599 20 0 JJADMO COc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164725794 720485220 /nfs/dbraw/zinc/48/52/20/720485220.db2.gz KLCKGIIHTIDOAG-FCHUYYIVSA-N 1 1 471.939 4.599 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)CC[C@@H]21 ZINC001164838439 720537789 /nfs/dbraw/zinc/53/77/89/720537789.db2.gz NWAGFLIOJBYTLR-GSDHBNRESA-N 1 1 479.632 4.780 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)CC[C@@H]21 ZINC001164839212 720604612 /nfs/dbraw/zinc/60/46/12/720604612.db2.gz MFIBBNQCZLSFJU-GIWBLDEGSA-N 1 1 499.688 4.816 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(-c4ccsc4)nc4ccccc43)CC[C@@H]21 ZINC001164839760 720606467 /nfs/dbraw/zinc/60/64/67/720606467.db2.gz OLZPEDDAERCCLI-DPLHUUCSSA-N 1 1 458.635 4.933 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838316 720629559 /nfs/dbraw/zinc/62/95/59/720629559.db2.gz KTLYANVWOBVAGG-IEIRFRATSA-N 1 1 486.998 4.916 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cnc(Cl)nc3Oc3ccccc3F)CC[C@@H]21 ZINC001164839250 720640703 /nfs/dbraw/zinc/64/07/03/720640703.db2.gz MWGXDSXJKYLXOD-BJLQDIEVSA-N 1 1 470.980 4.636 20 0 JJADMO COc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164841967 720642303 /nfs/dbraw/zinc/64/23/03/720642303.db2.gz RGRSTOHZTQGOKY-WOIUINJBSA-N 1 1 483.016 4.505 20 0 JJADMO COc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164838120 720646258 /nfs/dbraw/zinc/64/62/58/720646258.db2.gz FGNROVZMEYIOBC-XUVXKRRUSA-N 1 1 483.016 4.505 20 0 JJADMO COc1cc2c(cc1F)cc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164838834 720651775 /nfs/dbraw/zinc/65/17/75/720651775.db2.gz HRMDSADDELZYQM-WAOWUJCRSA-N 1 1 457.981 4.610 20 0 JJADMO COc1cc2c(cc1F)cc(Cl)nc2N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164838821 720652817 /nfs/dbraw/zinc/65/28/17/720652817.db2.gz HRMDSADDELZYQM-DBXWQHBBSA-N 1 1 457.981 4.610 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1nc(Cl)cc(N3CCCC3)n1)CC2 ZINC001164843741 720670909 /nfs/dbraw/zinc/67/09/09/720670909.db2.gz XIUJJFHBGCIHPO-HXUWFJFHSA-N 1 1 492.014 4.535 20 0 JJADMO CCOC(=O)c1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc2ccccc21 ZINC001164844916 720689835 /nfs/dbraw/zinc/68/98/35/720689835.db2.gz WHUDDYYFBJIIHT-JOCHJYFZSA-N 1 1 459.590 4.671 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3c1ccn3Cc1cccc(F)c1)CC2 ZINC001164840416 720694846 /nfs/dbraw/zinc/69/48/46/720694846.db2.gz DMVIOVYAAMNVTN-VWLOTQADSA-N 1 1 485.607 4.879 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc(Oc3ccc(F)cc3)n1)CC2 ZINC001164845304 720699286 /nfs/dbraw/zinc/69/92/86/720699286.db2.gz XZDOTXICNIEHAO-FQEVSTJZSA-N 1 1 483.975 4.716 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(NC(=O)OC(C)(C)C)c3nc[nH]c31)CC2 ZINC001164840886 720708417 /nfs/dbraw/zinc/70/84/17/720708417.db2.gz RLASGWUXLRKFEG-FQEVSTJZSA-N 1 1 492.624 4.565 20 0 JJADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2c1 ZINC001164840944 720708427 /nfs/dbraw/zinc/70/84/27/720708427.db2.gz STKXQYRJJBACRM-OAQYLSRUSA-N 1 1 495.023 4.720 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(NC(=O)OC(C)(C)C)cn1)CC2 ZINC001164839563 720708449 /nfs/dbraw/zinc/70/84/49/720708449.db2.gz LUCLJDAITPTYSJ-QFIPXVFZSA-N 1 1 452.599 4.689 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc(-c3cccnc3)n1)CC2 ZINC001164836448 720709358 /nfs/dbraw/zinc/70/93/58/720709358.db2.gz AQVVDMUOJPRGGY-OAQYLSRUSA-N 1 1 499.993 4.997 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1nc(-c3ccc(Cl)nc3)no1)CC2 ZINC001164838396 720723662 /nfs/dbraw/zinc/72/36/62/720723662.db2.gz IXWMSWCAUSYGJM-LJQANCHMSA-N 1 1 489.954 4.590 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)CC2 ZINC001164842318 720725133 /nfs/dbraw/zinc/72/51/33/720725133.db2.gz YGFFJOYCSCNDEX-NRFANRHFSA-N 1 1 472.029 4.950 20 0 JJADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3nc(C(=O)NCc4ccccc4)sc3CC2)nc1 ZINC001164844008 720747039 /nfs/dbraw/zinc/74/70/39/720747039.db2.gz NSBWBWOURHRFOW-QHCPKHFHSA-N 1 1 475.662 4.620 20 0 JJADMO Clc1ccc(-c2nnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c3ccccc32)cc1Cl ZINC001164741738 720783066 /nfs/dbraw/zinc/78/30/66/720783066.db2.gz MWPVRWITQKHGKF-QZTJIDSGSA-N 1 1 493.398 4.736 20 0 JJADMO COC[C@@]12CCCO[C@H]1CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164852171 720827742 /nfs/dbraw/zinc/82/77/42/720827742.db2.gz ZKWINCDLFIZVNN-LVXARBLLSA-N 1 1 470.683 4.578 20 0 JJADMO Cc1ccc2nc(-c3ccccc3F)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164742458 720834623 /nfs/dbraw/zinc/83/46/23/720834623.db2.gz GNJUHEUZKAERAA-VHFRWLAGSA-N 1 1 497.622 4.715 20 0 JJADMO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742478 720845217 /nfs/dbraw/zinc/84/52/17/720845217.db2.gz GQJUUSSFIWCYPU-JKIFEVAISA-N 1 1 491.801 4.558 20 0 JJADMO COc1ccc2c(c1)nc(N1CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C1)cc2-c1ccccc1 ZINC001164740519 720847834 /nfs/dbraw/zinc/84/78/34/720847834.db2.gz CFJSUEBFZFXEPT-CTVOUCONSA-N 1 1 494.643 4.881 20 0 JJADMO Cc1nc([C@@H]2COCCN2c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)cs1 ZINC001164745479 720864504 /nfs/dbraw/zinc/86/45/04/720864504.db2.gz DSXSDMZXIYGUBM-IBGZPJMESA-N 1 1 469.680 4.899 20 0 JJADMO CSc1nc2sccc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754842 720874117 /nfs/dbraw/zinc/87/41/17/720874117.db2.gz TXHHRKBHZXESMF-NLFFAJNJSA-N 1 1 481.691 4.563 20 0 JJADMO CSc1cc(Cl)ncc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757506 720885099 /nfs/dbraw/zinc/88/50/99/720885099.db2.gz VIWLVPNFLKMKCD-YKSBVNFPSA-N 1 1 459.059 4.607 20 0 JJADMO Clc1nc2c(c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n1)CCCCC2 ZINC001164752518 720887463 /nfs/dbraw/zinc/88/74/63/720887463.db2.gz DVYLKYPPRROLML-WXVAWEFUSA-N 1 1 482.072 4.549 20 0 JJADMO Cc1ccc2c(c1)nc(Cl)nc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754478 720891151 /nfs/dbraw/zinc/89/11/51/720891151.db2.gz JAPSTBIKVZTPTN-AJTFRIOCSA-N 1 1 478.040 4.742 20 0 JJADMO CSc1nc2ccccc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755420 720893825 /nfs/dbraw/zinc/89/38/25/720893825.db2.gz MADBKXIFEYAJRS-AMGIVPHBSA-N 1 1 475.662 4.502 20 0 JJADMO CSc1ccnc(Cl)c1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757817 720896587 /nfs/dbraw/zinc/89/65/87/720896587.db2.gz VSVHVPASZHKSSM-RDPSFJRHSA-N 1 1 459.059 4.607 20 0 JJADMO COc1ccc2c(C)cc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2c1 ZINC001164757862 720896630 /nfs/dbraw/zinc/89/66/30/720896630.db2.gz VXSYVWXJFSFVSD-PWUYWRBVSA-N 1 1 472.633 4.702 20 0 JJADMO Cc1ccc(Cl)nc1C(F)(F)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752556 720896792 /nfs/dbraw/zinc/89/67/92/720896792.db2.gz FDARFBKCNOQUPD-ZJSXRUAMSA-N 1 1 476.999 4.738 20 0 JJADMO c1ccc(COc2cccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)cc1 ZINC001164753878 720899245 /nfs/dbraw/zinc/89/92/45/720899245.db2.gz HOTQATZODNNQST-BHBYDHKZSA-N 1 1 484.644 4.811 20 0 JJADMO c1ccc(COc2cccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)cc1 ZINC001164753887 720899921 /nfs/dbraw/zinc/89/99/21/720899921.db2.gz HOTQATZODNNQST-POURPWNDSA-N 1 1 484.644 4.811 20 0 JJADMO CC(C)(C)c1cc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755424 720903648 /nfs/dbraw/zinc/90/36/48/720903648.db2.gz MATNVNZNQGWEPT-LVXARBLLSA-N 1 1 470.061 4.578 20 0 JJADMO Cc1ccc(-c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)cc1 ZINC001164746518 720909428 /nfs/dbraw/zinc/90/94/28/720909428.db2.gz BGZAYQOTFREOFB-LITSAYRRSA-N 1 1 469.633 4.602 20 0 JJADMO Fc1cc2ncc(Cl)nc2cc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747974 720919311 /nfs/dbraw/zinc/91/93/11/720919311.db2.gz FADJMVVVHUDXKT-IBVKSMDESA-N 1 1 482.003 4.572 20 0 JJADMO Cc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(-c2cccs2)n1 ZINC001164748564 720920118 /nfs/dbraw/zinc/92/01/18/720920118.db2.gz GYCRJHMCLHUHRV-YIXXDRMTSA-N 1 1 475.662 4.664 20 0 JJADMO Cc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(-c2ccsc2)n1 ZINC001164750157 720921880 /nfs/dbraw/zinc/92/18/80/720921880.db2.gz JMWZPVBJDLIBAN-RPLLCQBOSA-N 1 1 475.662 4.664 20 0 JJADMO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752893 720931281 /nfs/dbraw/zinc/93/12/81/720931281.db2.gz PIGPRRHVHWCZTK-HOFKKMOUSA-N 1 1 484.088 4.787 20 0 JJADMO CC(C)(c1ccnc(Cl)c1)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754658 720938033 /nfs/dbraw/zinc/93/80/33/720938033.db2.gz WUDLPVWAPZLKEX-ZEQKJWHPSA-N 1 1 455.046 4.616 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)[C@@H]2C ZINC001164858611 720938698 /nfs/dbraw/zinc/93/86/98/720938698.db2.gz JPPBDMPQILSPBK-CYBMUJFWSA-N 1 1 452.912 4.585 20 0 JJADMO CC[C@H](C)c1nc2[nH]ccc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164749960 720940728 /nfs/dbraw/zinc/94/07/28/720940728.db2.gz IOJJOSJCTNTSEP-QHLUZPDOSA-N 1 1 474.653 4.622 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccccc3)nc(-c3ccccc3)n1)[C@@H]2C ZINC001164860005 720955319 /nfs/dbraw/zinc/95/53/19/720955319.db2.gz OZHQRBTWTCCWNY-HXUWFJFHSA-N 1 1 453.594 4.824 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)[C@@H]2C ZINC001164860577 720978340 /nfs/dbraw/zinc/97/83/40/720978340.db2.gz OUXBVXIPSQZMQH-MRXNPFEDSA-N 1 1 460.960 4.960 20 0 JJADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164857996 721001820 /nfs/dbraw/zinc/00/18/20/721001820.db2.gz GAFUBOAGJIBPOP-INIZCTEOSA-N 1 1 455.990 4.683 20 0 JJADMO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c12 ZINC001164857155 721002744 /nfs/dbraw/zinc/00/27/44/721002744.db2.gz CNCAYEOCAGGRBL-OAQYLSRUSA-N 1 1 457.626 4.714 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)[C@@H]2C ZINC001164860336 721011083 /nfs/dbraw/zinc/01/10/83/721011083.db2.gz LJTPFZAJPJQVMV-MRXNPFEDSA-N 1 1 460.960 4.960 20 0 JJADMO COc1ccc(Oc2nc(Cl)ncc2N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)cc1 ZINC001164864886 721021033 /nfs/dbraw/zinc/02/10/33/721021033.db2.gz ZXSSCGJKQUOZGA-INIZCTEOSA-N 1 1 456.978 4.549 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)n1 ZINC001164767584 721031070 /nfs/dbraw/zinc/03/10/70/721031070.db2.gz SALSSULXVKXNHX-AMGIVPHBSA-N 1 1 495.693 4.890 20 0 JJADMO CCn1nnc2c1CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)[C@@H]2COCc1ccccc1 ZINC001164774594 721048203 /nfs/dbraw/zinc/04/82/03/721048203.db2.gz XACFQMWYGQTBKF-MUUNZHRXSA-N 1 1 494.643 4.572 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccc(-c5ccnc(Cl)c5)cc4)C[C@@H]3C2)cn1 ZINC001164769470 721098069 /nfs/dbraw/zinc/09/80/69/721098069.db2.gz ORECQLRQYWQGEV-RTWAWAEBSA-N 1 1 457.956 4.639 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(-c5ccccc5F)nc5ccc(Cl)cc54)C[C@H]3C2)cn1 ZINC001164767425 721101855 /nfs/dbraw/zinc/10/18/55/721101855.db2.gz LSCFQPVYOZCCCR-RBUKOAKNSA-N 1 1 476.987 4.781 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cnc(-c5ccccc5)c(-c5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164772761 721123438 /nfs/dbraw/zinc/12/34/38/721123438.db2.gz WKWZUMQPBILBBD-RPBOFIJWSA-N 1 1 450.590 4.502 20 0 JJADMO Clc1ccc(-c2csc3ncnc(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)c23)cc1 ZINC001164872103 721139817 /nfs/dbraw/zinc/13/98/17/721139817.db2.gz GQODPWVYGUAITD-NHCUHLMSSA-N 1 1 478.021 4.886 20 0 JJADMO Clc1ccc(-c2cc3ncnc(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@H]5C4)c3s2)cc1 ZINC001164878427 721143182 /nfs/dbraw/zinc/14/31/82/721143182.db2.gz QCLLJDPUEDWNMH-LEWJYISDSA-N 1 1 478.021 4.886 20 0 JJADMO Clc1cccc(-c2nc3c(c(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@H]5C4)n2)CCCC3)c1 ZINC001164870320 721166471 /nfs/dbraw/zinc/16/64/71/721166471.db2.gz CNFHURPKLZXYDP-GOTSBHOMSA-N 1 1 476.024 4.551 20 0 JJADMO Fc1cccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164879921 721169123 /nfs/dbraw/zinc/16/91/23/721169123.db2.gz VJWBITNNGUARRD-YADHBBJMSA-N 1 1 488.941 4.961 20 0 JJADMO Fc1ccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)cnc2Cl)cc1 ZINC001164871079 721170209 /nfs/dbraw/zinc/17/02/09/721170209.db2.gz DIBUTTQHHTVRBF-VXKWHMMOSA-N 1 1 488.941 4.961 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)nc5sc(-c6ccccc6)cc54)C[C@H]3C2)cn1 ZINC001164767654 721171538 /nfs/dbraw/zinc/17/15/38/721171538.db2.gz KHMGGSPMTIGESS-RBUKOAKNSA-N 1 1 465.026 4.704 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc5ccc(Cl)cc5c(-c5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164764988 721195524 /nfs/dbraw/zinc/19/55/24/721195524.db2.gz HJYXHVHCABCTJV-RTWAWAEBSA-N 1 1 458.997 4.642 20 0 JJADMO Cc1cc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164769456 721223408 /nfs/dbraw/zinc/22/34/08/721223408.db2.gz MNOZWMXFDNPGPP-KAYWLYCHSA-N 1 1 464.617 4.811 20 0 JJADMO Fc1ccc(-c2ncnc3c2CCN(c2ccc4c(n2)CC[N@H+](Cc2ccccc2)C4)CC3)cc1 ZINC001164775483 721315427 /nfs/dbraw/zinc/31/54/27/721315427.db2.gz FNVMUIOGFAEKOC-UHFFFAOYSA-N 1 1 465.576 4.841 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)cnc3Cl)C2)C1 ZINC001164778854 721335616 /nfs/dbraw/zinc/33/56/16/721335616.db2.gz ZIMCASDOXSVVPD-FQEVSTJZSA-N 1 1 475.367 4.657 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)cnc3Cl)C2)C1 ZINC001164778854 721335617 /nfs/dbraw/zinc/33/56/17/721335617.db2.gz ZIMCASDOXSVVPD-FQEVSTJZSA-N 1 1 475.367 4.657 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)cc3Cl)C2)C1 ZINC001164776638 721337210 /nfs/dbraw/zinc/33/72/10/721337210.db2.gz HKYWTSXGFSKNDE-FQEVSTJZSA-N 1 1 475.367 4.657 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)cc3Cl)C2)C1 ZINC001164776638 721337212 /nfs/dbraw/zinc/33/72/12/721337212.db2.gz HKYWTSXGFSKNDE-FQEVSTJZSA-N 1 1 475.367 4.657 20 0 JJADMO Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3[nH+]ccc4c3ccn4Cc3ccccc3)C2)C1 ZINC001164780117 721355116 /nfs/dbraw/zinc/35/51/16/721355116.db2.gz ZUZTUMBAURDUPF-GDLZYMKVSA-N 1 1 485.632 4.808 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4[C@@H]3CC(=O)N4c3ccsc3)c2c1C ZINC001164885846 721357722 /nfs/dbraw/zinc/35/77/22/721357722.db2.gz ZVVOOLCJKKGQST-OALUTQOASA-N 1 1 467.664 4.740 20 0 JJADMO O=C1C[C@@H]2[C@H](CCN2c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)N1c1ccsc1 ZINC001164882633 721358520 /nfs/dbraw/zinc/35/85/20/721358520.db2.gz KHUQBOWBCDRPJY-RBUKOAKNSA-N 1 1 479.675 4.612 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc4cc(C)ccc43)C2)C1 ZINC001164786065 721360395 /nfs/dbraw/zinc/36/03/95/721360395.db2.gz VOCAAAAZAVHJPB-RUZDIDTESA-N 1 1 455.002 4.920 20 0 JJADMO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)nc1 ZINC001164785322 721373310 /nfs/dbraw/zinc/37/33/10/721373310.db2.gz RBZKOJGFYSIZKZ-IXCJQBJRSA-N 1 1 481.685 4.742 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)nc1 ZINC001164785322 721373313 /nfs/dbraw/zinc/37/33/13/721373313.db2.gz RBZKOJGFYSIZKZ-IXCJQBJRSA-N 1 1 481.685 4.742 20 0 JJADMO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164781161 721412679 /nfs/dbraw/zinc/41/26/79/721412679.db2.gz CEYMGXGHFCOSRU-VXGBXAGGSA-N 1 1 456.349 4.506 20 0 JJADMO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164781727 721413269 /nfs/dbraw/zinc/41/32/69/721413269.db2.gz DJQDYFBLDRYQKF-VXGBXAGGSA-N 1 1 456.349 4.506 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5sc(-c6ccccc6)cc54)C3)O2)CC1 ZINC001164893735 721425307 /nfs/dbraw/zinc/42/53/07/721425307.db2.gz KDWFFYNPHVSOCJ-IBVKSMDESA-N 1 1 498.096 4.777 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5sc(-c6ccccc6)cc54)C3)O2)CC1 ZINC001164893737 721425443 /nfs/dbraw/zinc/42/54/43/721425443.db2.gz KDWFFYNPHVSOCJ-RXFWQSSRSA-N 1 1 498.096 4.777 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc5ccc(Cl)cc5c(-c5ccccc5)n4)C3)O2)CC1 ZINC001164898365 721433404 /nfs/dbraw/zinc/43/34/04/721433404.db2.gz VUHVOYDOSRINJE-QDPGVEIFSA-N 1 1 492.067 4.716 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc5ccc(Cl)cc5c(-c5ccccc5)n4)C3)O2)CC1 ZINC001164898361 721433424 /nfs/dbraw/zinc/43/34/24/721433424.db2.gz VUHVOYDOSRINJE-NEKDWFFYSA-N 1 1 492.067 4.716 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncnc5cc(-c6ccc(Cl)cc6)sc54)C3)O2)CC1 ZINC001164896845 721433921 /nfs/dbraw/zinc/43/39/21/721433921.db2.gz SFYZLHSYWGXBAA-LVXARBLLSA-N 1 1 498.096 4.777 20 0 JJADMO COc1ccc2c(c1)nc(N1CC[C@]3(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O3)cc2-c1ccccc1 ZINC001164898352 721434744 /nfs/dbraw/zinc/43/47/44/721434744.db2.gz VTJKIZXKHANZFB-QCDSWUKFSA-N 1 1 486.660 4.676 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(-c6ccccc6)cc5)nn4)C3)O2)CC1 ZINC001164890730 721441598 /nfs/dbraw/zinc/44/15/98/721441598.db2.gz DPYQSYAUDKNMDC-OFSOJUDTSA-N 1 1 483.660 4.576 20 0 JJADMO Cc1nc(COC[C@H]2CCC[C@@]23CN(c2nc(Cl)ccc2C[NH+]2CCCC2)CCO3)cs1 ZINC001164788176 721444133 /nfs/dbraw/zinc/44/41/33/721444133.db2.gz ZGNLBOPJKURZFP-HYBUGGRVSA-N 1 1 477.074 4.688 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(-c5ccc(Oc6ccccc6)cc5)nn4)C3)O2)CC1 ZINC001164898712 721444252 /nfs/dbraw/zinc/44/42/52/721444252.db2.gz WPFDZLONRIQFBS-POURPWNDSA-N 1 1 499.659 4.701 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(-c5ccc(C6CCCCC6)cc5)nn4)C3)O2)CC1 ZINC001164892312 721444279 /nfs/dbraw/zinc/44/42/79/721444279.db2.gz ICXLXXBFDVFPSR-BHBYDHKZSA-N 1 1 489.708 4.957 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)cc1Cl)CC2 ZINC001164786020 721451952 /nfs/dbraw/zinc/45/19/52/721451952.db2.gz MFRVZMYHTFPASX-QGZVFWFLSA-N 1 1 478.411 4.667 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)nc3sccc31)CC2 ZINC001164784283 721456063 /nfs/dbraw/zinc/45/60/63/721456063.db2.gz DRNHANYNFTZGLO-SFHVURJKSA-N 1 1 450.048 4.684 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1c(Cl)ncc(Cl)c1Cl)CC2 ZINC001164787784 721460241 /nfs/dbraw/zinc/46/02/41/721460241.db2.gz SGLMQSUEPULPIK-INIZCTEOSA-N 1 1 462.849 4.776 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1ccc(SC)c(Cl)n1)CC2 ZINC001164784467 721461877 /nfs/dbraw/zinc/46/18/77/721461877.db2.gz IIGOZOAPKMMPDA-GOSISDBHSA-N 1 1 490.060 4.736 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(CCN(Cc4csc(C)n4)C3=O)C2)nc1 ZINC001164887952 721462147 /nfs/dbraw/zinc/46/21/47/721462147.db2.gz LBNMKAJFMWEOEL-ZEQKJWHPSA-N 1 1 467.683 4.803 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cc3cc(OC)ccc31)CC2 ZINC001164783716 721463214 /nfs/dbraw/zinc/46/32/14/721463214.db2.gz GABRPCJAJKZGJL-OAQYLSRUSA-N 1 1 474.045 4.631 20 0 JJADMO CC(C)C(=O)N1CC[C@H]2CN(c3nc(C[NH+](C)C)nc4scc(-c5ccccc5)c43)CC[C@H]21 ZINC001164894670 721467118 /nfs/dbraw/zinc/46/71/18/721467118.db2.gz XGFLDTDZNFNKBF-PZJWPPBQSA-N 1 1 463.651 4.503 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1c(Cl)ccc3c(Cl)ncnc31)CC2 ZINC001164791254 721473867 /nfs/dbraw/zinc/47/38/67/721473867.db2.gz WCWVTUZOAYPBJG-GOSISDBHSA-N 1 1 479.452 4.671 20 0 JJADMO CCOC[C@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CC[C@@H](C)C4)Cc2cnn(C)c21 ZINC001164789069 721477724 /nfs/dbraw/zinc/47/77/24/721477724.db2.gz ARBWJZPYIWKMPC-UYAOXDASSA-N 1 1 494.709 4.676 20 0 JJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](NC(=O)NC)c4cc(C)ccc43)CC2)nc1 ZINC001164900938 721493024 /nfs/dbraw/zinc/49/30/24/721493024.db2.gz SPWSRZSYPKUZSK-JWQCQUIFSA-N 1 1 461.654 4.849 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)[C@@H]2CCCO[C@H]12 ZINC001164801380 721538889 /nfs/dbraw/zinc/53/88/89/721538889.db2.gz FDESGBHAOIPXEO-AQNXPRMDSA-N 1 1 494.373 4.745 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)[C@@H]2CCCO[C@H]12 ZINC001164801380 721538892 /nfs/dbraw/zinc/53/88/92/721538892.db2.gz FDESGBHAOIPXEO-AQNXPRMDSA-N 1 1 494.373 4.745 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)[C@@H]2CCCO[C@@H]12 ZINC001164801382 721539304 /nfs/dbraw/zinc/53/93/04/721539304.db2.gz FDESGBHAOIPXEO-VAMGGRTRSA-N 1 1 494.373 4.745 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)[C@@H]2CCCO[C@@H]12 ZINC001164801382 721539311 /nfs/dbraw/zinc/53/93/11/721539311.db2.gz FDESGBHAOIPXEO-VAMGGRTRSA-N 1 1 494.373 4.745 20 0 JJADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ccc(-c5ccc(C6OCCCO6)cc5)cn4)CC[N@H+]3C2)c1 ZINC001164911934 721547772 /nfs/dbraw/zinc/54/77/72/721547772.db2.gz XORSCQCUODHQEA-AOYPEHQESA-N 1 1 475.564 4.665 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)[C@@H]2CCCO[C@@H]12 ZINC001164803168 721558515 /nfs/dbraw/zinc/55/85/15/721558515.db2.gz JQNAUHNWCXMKLH-VAMGGRTRSA-N 1 1 494.373 4.745 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)[C@@H]2CCCO[C@@H]12 ZINC001164803168 721558519 /nfs/dbraw/zinc/55/85/19/721558519.db2.gz JQNAUHNWCXMKLH-VAMGGRTRSA-N 1 1 494.373 4.745 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3ccnc(Cl)c32)[C@H]2CCCO[C@@H]12 ZINC001164801646 721562963 /nfs/dbraw/zinc/56/29/63/721562963.db2.gz GYYOLRVFGJYYFI-TUNNFDKTSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3ccnc(Cl)c32)[C@H]2CCCO[C@@H]12 ZINC001164801646 721562967 /nfs/dbraw/zinc/56/29/67/721562967.db2.gz GYYOLRVFGJYYFI-TUNNFDKTSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(OCc3ccccc3)cc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164801167 721572394 /nfs/dbraw/zinc/57/23/94/721572394.db2.gz GJQBIIOKPPQPMG-ISJGIBHGSA-N 1 1 464.997 4.577 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4ccc(F)cc4)c32)[C@@H]2CCCO[C@@H]12 ZINC001164800312 721576194 /nfs/dbraw/zinc/57/61/94/721576194.db2.gz DTFNPFVSJZSHIH-CQOQZXRMSA-N 1 1 475.593 4.761 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4ccc(F)cc4)c32)[C@@H]2CCCO[C@@H]12 ZINC001164800312 721576197 /nfs/dbraw/zinc/57/61/97/721576197.db2.gz DTFNPFVSJZSHIH-CQOQZXRMSA-N 1 1 475.593 4.761 20 0 JJADMO CSCc1nc2sc3c(c2c(N2C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]42)n1)CCCC3 ZINC001164810182 721578995 /nfs/dbraw/zinc/57/89/95/721578995.db2.gz UXVFAQBKOHMWMZ-SKPFHBQLSA-N 1 1 495.718 4.696 20 0 JJADMO CSCc1nc2sc3c(c2c(N2C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]42)n1)CCCC3 ZINC001164810182 721578997 /nfs/dbraw/zinc/57/89/97/721578997.db2.gz UXVFAQBKOHMWMZ-SKPFHBQLSA-N 1 1 495.718 4.696 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(-c3cccs3)nnc2Cl)[C@H]2CCCO[C@H]12 ZINC001164799263 721580261 /nfs/dbraw/zinc/58/02/61/721580261.db2.gz AFKSSLZHXKEGAP-ZVDOUQERSA-N 1 1 491.995 4.667 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(-c3cccs3)nnc2Cl)[C@H]2CCCO[C@H]12 ZINC001164799263 721580263 /nfs/dbraw/zinc/58/02/63/721580263.db2.gz AFKSSLZHXKEGAP-ZVDOUQERSA-N 1 1 491.995 4.667 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)[C@H]2CCCO[C@H]12 ZINC001164806285 721586597 /nfs/dbraw/zinc/58/65/97/721586597.db2.gz MTWYSLJPYBWZKJ-ZRBLBEILSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)[C@H]2CCCO[C@H]12 ZINC001164806285 721586598 /nfs/dbraw/zinc/58/65/98/721586598.db2.gz MTWYSLJPYBWZKJ-ZRBLBEILSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164806965 721588186 /nfs/dbraw/zinc/58/81/86/721588186.db2.gz OFKIAJCDYIZOFM-TXTKFYIRSA-N 1 1 488.394 4.853 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164806965 721588189 /nfs/dbraw/zinc/58/81/89/721588189.db2.gz OFKIAJCDYIZOFM-TXTKFYIRSA-N 1 1 488.394 4.853 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccccc2Cl)[C@H]2CCCO[C@H]12 ZINC001164808906 721589696 /nfs/dbraw/zinc/58/96/96/721589696.db2.gz ROCIHFSYCCHAMY-DWLFOUALSA-N 1 1 486.403 4.839 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccccc2Cl)[C@H]2CCCO[C@H]12 ZINC001164808906 721589699 /nfs/dbraw/zinc/58/96/99/721589699.db2.gz ROCIHFSYCCHAMY-DWLFOUALSA-N 1 1 486.403 4.839 20 0 JJADMO CCc1ccccc1Oc1nc(Cl)ncc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164801643 721589752 /nfs/dbraw/zinc/58/97/52/721589752.db2.gz FDYKQUMPJNSXLR-SFLYRZDNSA-N 1 1 480.012 4.748 20 0 JJADMO CCc1ccccc1Oc1nc(Cl)ncc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164801643 721589754 /nfs/dbraw/zinc/58/97/54/721589754.db2.gz FDYKQUMPJNSXLR-SFLYRZDNSA-N 1 1 480.012 4.748 20 0 JJADMO CCc1cccc(Oc2nc(Cl)ncc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164810830 721589873 /nfs/dbraw/zinc/58/98/73/721589873.db2.gz WIRWEWRHHMCWKG-OEMFJLHTSA-N 1 1 480.012 4.748 20 0 JJADMO CCc1cccc(Oc2nc(Cl)ncc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164810830 721589876 /nfs/dbraw/zinc/58/98/76/721589876.db2.gz WIRWEWRHHMCWKG-OEMFJLHTSA-N 1 1 480.012 4.748 20 0 JJADMO Cc1cccc(-c2cc(C(F)(F)N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c(Cl)nn2)c1 ZINC001164800886 721591857 /nfs/dbraw/zinc/59/18/57/721591857.db2.gz DAKGZPXKIHQVDA-KMDXXIMOSA-N 1 1 499.993 4.914 20 0 JJADMO Cc1cccc(-c2cc(C(F)(F)N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c(Cl)nn2)c1 ZINC001164800886 721591859 /nfs/dbraw/zinc/59/18/59/721591859.db2.gz DAKGZPXKIHQVDA-KMDXXIMOSA-N 1 1 499.993 4.914 20 0 JJADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCOC[C@@H]3COc3cccnc3)CC2)nc1 ZINC001164802029 721604183 /nfs/dbraw/zinc/60/41/83/721604183.db2.gz RSNCQIKXUNOGKO-NOZRDPDXSA-N 1 1 450.627 4.726 20 0 JJADMO FC1(F)CCN(c2cc(-c3ccnc(Cl)c3)ccn2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907490 721694770 /nfs/dbraw/zinc/69/47/70/721694770.db2.gz UKMIDLXVMSDGNG-QHCPKHFHSA-N 1 1 455.940 4.930 20 0 JJADMO FC1(F)CCN(c2nccc(-c3c[nH]c4ccccc34)n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906662 721702536 /nfs/dbraw/zinc/70/25/36/721702536.db2.gz OEHCOQOPSYPMCR-VWLOTQADSA-N 1 1 460.532 4.758 20 0 JJADMO C[C@@H]1CCc2c(sc3ncnc(N4CCC(F)(F)[C@]5(CC[N@@H+](Cc6ccccn6)C5)C4)c23)C1 ZINC001164905371 721702841 /nfs/dbraw/zinc/70/28/41/721702841.db2.gz ISUPSGDASOPVLH-OSPHWJPCSA-N 1 1 469.605 4.949 20 0 JJADMO FC1(F)CCN(c2nc3ccccc3nc2N2CCCCC2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904886 721721480 /nfs/dbraw/zinc/72/14/80/721721480.db2.gz FEGQMBKPMWHZEX-SANMLTNESA-N 1 1 478.591 4.753 20 0 JJADMO COC(=O)c1ccc(-c2ccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2C)cc1 ZINC001164904247 721721636 /nfs/dbraw/zinc/72/16/36/721721636.db2.gz AUWXUEUYWZMUQX-MHZLTWQESA-N 1 1 492.570 4.976 20 0 JJADMO FC1(F)CCN(c2nc(-c3ccccn3)nc3ccccc32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904284 721724843 /nfs/dbraw/zinc/72/48/43/721724843.db2.gz BFTLIAOSJJWYLP-SANMLTNESA-N 1 1 472.543 4.825 20 0 JJADMO COc1ccc(Cc2c(C)nc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2C)cc1 ZINC001164910769 721733837 /nfs/dbraw/zinc/73/38/37/721733837.db2.gz HRZYFEGVLACLGC-MHZLTWQESA-N 1 1 493.602 4.826 20 0 JJADMO Cc1cc(-c2cccc(F)c2)nnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164911786 721735916 /nfs/dbraw/zinc/73/59/16/721735916.db2.gz KJDUGVMXDBTXFX-XMMPIXPASA-N 1 1 453.512 4.724 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(C(=O)N3CCCCC3)cc(Cl)n1)C2 ZINC001164908840 721748615 /nfs/dbraw/zinc/74/86/15/721748615.db2.gz LOHNDUVXKQOZBM-UHFFFAOYSA-N 1 1 480.012 4.544 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(C(=O)N3CCCCC3)cc(Cl)n1)C2 ZINC001164908840 721748620 /nfs/dbraw/zinc/74/86/20/721748620.db2.gz LOHNDUVXKQOZBM-UHFFFAOYSA-N 1 1 480.012 4.544 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(Cl)nc(-c3cccnc3)n1)C2 ZINC001164909648 721759876 /nfs/dbraw/zinc/75/98/76/721759876.db2.gz FBDGJSGBWZIGBP-UHFFFAOYSA-N 1 1 496.949 4.920 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(Cl)nc(-c3cccnc3)n1)C2 ZINC001164909648 721759881 /nfs/dbraw/zinc/75/98/81/721759881.db2.gz FBDGJSGBWZIGBP-UHFFFAOYSA-N 1 1 496.949 4.920 20 0 JJADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c2c1 ZINC001164911700 721760240 /nfs/dbraw/zinc/76/02/40/721760240.db2.gz XGRBOZVRWMROBY-UHFFFAOYSA-N 1 1 491.979 4.643 20 0 JJADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c2c1 ZINC001164911700 721760245 /nfs/dbraw/zinc/76/02/45/721760245.db2.gz XGRBOZVRWMROBY-UHFFFAOYSA-N 1 1 491.979 4.643 20 0 JJADMO CC(C)n1ccc2c1nc(Cl)nc2N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164909056 721760266 /nfs/dbraw/zinc/76/02/66/721760266.db2.gz FIKDZGZLSYUREX-UHFFFAOYSA-N 1 1 450.974 4.848 20 0 JJADMO CC(C)n1ccc2c1nc(Cl)nc2N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164909056 721760267 /nfs/dbraw/zinc/76/02/67/721760267.db2.gz FIKDZGZLSYUREX-UHFFFAOYSA-N 1 1 450.974 4.848 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(Cl)nc3c1CCC3)C2 ZINC001164911644 721766134 /nfs/dbraw/zinc/76/61/34/721766134.db2.gz QMFUHPRIPFBXKM-UHFFFAOYSA-N 1 1 458.940 4.951 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(Cl)nc3c1CCC3)C2 ZINC001164911644 721766139 /nfs/dbraw/zinc/76/61/39/721766139.db2.gz QMFUHPRIPFBXKM-UHFFFAOYSA-N 1 1 458.940 4.951 20 0 JJADMO C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCc5ncnc(C6CC6)c5CC4)c23)C1 ZINC001164914801 721804122 /nfs/dbraw/zinc/80/41/22/721804122.db2.gz GPURTBBGJHSZOI-KRWDZBQOSA-N 1 1 474.678 4.685 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3ccc4c(Cl)ncnc4c3)C[C@H]21 ZINC001165017815 721804305 /nfs/dbraw/zinc/80/43/05/721804305.db2.gz ATBCJQUXQBKMSV-SAWYMBPVSA-N 1 1 457.956 4.960 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3ccc4ncc(Cl)nc4c3)C[C@@H]21 ZINC001165018820 721805513 /nfs/dbraw/zinc/80/55/13/721805513.db2.gz CKBXYFVIUIHVAN-XWFZLUIHSA-N 1 1 457.956 4.960 20 0 JJADMO CCOC(=O)c1cnc(Cl)c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1Cl ZINC001165019654 721806152 /nfs/dbraw/zinc/80/61/52/721806152.db2.gz DQKJHWTZLIKQEF-KFKAGJAMSA-N 1 1 463.409 4.697 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3ccc4ncnc(Cl)c4c3)C[C@@H]21 ZINC001165024545 721808350 /nfs/dbraw/zinc/80/83/50/721808350.db2.gz LUVBEFCGACJCKG-XUEUYAKLSA-N 1 1 457.956 4.960 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)nc1 ZINC001164915495 721811362 /nfs/dbraw/zinc/81/13/62/721811362.db2.gz BDPBZWMYDIQSEI-IYXIZZNPSA-N 1 1 456.656 4.676 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)ncc3C(=O)OC(C)(C)C)C[C@@H]21 ZINC001165027179 721816737 /nfs/dbraw/zinc/81/67/37/721816737.db2.gz SVGWXPDAIBFNIG-JRGCBEDISA-N 1 1 457.018 4.822 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc4ccccc4nc3Cl)C[C@H]21 ZINC001165022710 721817037 /nfs/dbraw/zinc/81/70/37/721817037.db2.gz GVRJTDGRGMYRQR-HGHGUNKESA-N 1 1 457.956 4.960 20 0 JJADMO COC(=O)c1ccc(-c2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nc2C)cc1 ZINC001165030539 721822118 /nfs/dbraw/zinc/82/21/18/721822118.db2.gz ZRNMBAMAHNARFF-RNJDCESWSA-N 1 1 470.617 4.976 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(-c4ccccn4)nc4ccccc43)C[C@@H]21 ZINC001165027783 721823807 /nfs/dbraw/zinc/82/38/07/721823807.db2.gz UCKWUHLCYOMPOL-AMZDPNTKSA-N 1 1 450.590 4.824 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(-c4ccccn4)nc4ccccc43)C[C@@H]21 ZINC001165027788 721823905 /nfs/dbraw/zinc/82/39/05/721823905.db2.gz UCKWUHLCYOMPOL-UVWWXKGLSA-N 1 1 450.590 4.824 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c(-c5ccccc5)nsc43)C[C@H]21 ZINC001165029065 721824716 /nfs/dbraw/zinc/82/47/16/721824716.db2.gz WURDTMLGZGSHNG-KSEOMHKRSA-N 1 1 456.619 4.885 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cccc4c(Cl)ncnc43)C[C@@H]21 ZINC001165026733 721825432 /nfs/dbraw/zinc/82/54/32/721825432.db2.gz PWLWYZKOQDORAS-NBHGPNQESA-N 1 1 457.956 4.960 20 0 JJADMO COc1ccc2nc(C(F)(F)N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nc(Cl)c2c1 ZINC001165026756 721825868 /nfs/dbraw/zinc/82/58/68/721825868.db2.gz QAUCNCRGQLDMRH-BUKVSMQUSA-N 1 1 487.982 4.969 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C(=O)OCc4ccccc4)cn3)C[C@@H]21 ZINC001165019826 721826005 /nfs/dbraw/zinc/82/60/05/721826005.db2.gz CGDJNRRBXWUJSK-AYRHNUGRSA-N 1 1 456.590 4.571 20 0 JJADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2c[nH]c3nc(Cl)ccc23)CC1 ZINC001165021324 721841172 /nfs/dbraw/zinc/84/11/72/721841172.db2.gz LMTOCKZCIXTYJY-UHFFFAOYSA-N 1 1 464.944 4.879 20 0 JJADMO COc1cc(Oc2ccnc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4CCN(C)C)c2)ccc1OCc1ccccc1 ZINC001164925964 721874506 /nfs/dbraw/zinc/87/45/06/721874506.db2.gz PHVZCFDGWSSWRJ-FTJBHMTQSA-N 1 1 488.632 4.676 20 0 JJADMO COc1cc(Oc2ccnc(N3CC[C@@H]4[C@@H]3CC[N@H+]4CCN(C)C)c2)ccc1OCc1ccccc1 ZINC001164925964 721874509 /nfs/dbraw/zinc/87/45/09/721874509.db2.gz PHVZCFDGWSSWRJ-FTJBHMTQSA-N 1 1 488.632 4.676 20 0 JJADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(-c2cccnc2)nc2sc(-c3ccccc3)cc21 ZINC001164930964 721880138 /nfs/dbraw/zinc/88/01/38/721880138.db2.gz DPOONVBQEKRUJL-DHIUTWEWSA-N 1 1 470.646 4.635 20 0 JJADMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(-c2cccnc2)nc2sc(-c3ccccc3)cc21 ZINC001164930964 721880139 /nfs/dbraw/zinc/88/01/39/721880139.db2.gz DPOONVBQEKRUJL-DHIUTWEWSA-N 1 1 470.646 4.635 20 0 JJADMO Cc1sc2nc(-c3ccccn3)nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4CCN(C)C)c2c1-c1ccccc1 ZINC001164934668 721880177 /nfs/dbraw/zinc/88/01/77/721880177.db2.gz SVZOLCMGDNUVAD-PKTZIBPZSA-N 1 1 484.673 4.943 20 0 JJADMO Cc1sc2nc(-c3ccccn3)nc(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)c2c1-c1ccccc1 ZINC001164934668 721880178 /nfs/dbraw/zinc/88/01/78/721880178.db2.gz SVZOLCMGDNUVAD-PKTZIBPZSA-N 1 1 484.673 4.943 20 0 JJADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(CN2CCCCC2)nc2scc(-c3cccs3)c21 ZINC001164932634 721880287 /nfs/dbraw/zinc/88/02/87/721880287.db2.gz JUQDQFSEHZHSPV-LEWJYISDSA-N 1 1 496.750 4.620 20 0 JJADMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(CN2CCCCC2)nc2scc(-c3cccs3)c21 ZINC001164932634 721880290 /nfs/dbraw/zinc/88/02/90/721880290.db2.gz JUQDQFSEHZHSPV-LEWJYISDSA-N 1 1 496.750 4.620 20 0 JJADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nnc(-c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC001164934425 721884384 /nfs/dbraw/zinc/88/43/84/721884384.db2.gz RPEBISLUDVGJGW-FCHUYYIVSA-N 1 1 456.421 4.818 20 0 JJADMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nnc(-c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC001164934425 721884385 /nfs/dbraw/zinc/88/43/85/721884385.db2.gz RPEBISLUDVGJGW-FCHUYYIVSA-N 1 1 456.421 4.818 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4nc(Cl)ncc4Cl)CC3)C2)cc1 ZINC001164939304 721923921 /nfs/dbraw/zinc/92/39/21/721923921.db2.gz HKQPDMZLKUBWSV-UHFFFAOYSA-N 1 1 457.352 4.508 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)nc5c4ccn5C(C)C)CC3)C2)cc1 ZINC001164938600 721930006 /nfs/dbraw/zinc/93/00/06/721930006.db2.gz AHEPNWIPBGNCPX-UHFFFAOYSA-N 1 1 454.018 4.845 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(C)nc(-c5ccc(Cl)nc5)n4)CC3)C2)cc1 ZINC001164938628 721932735 /nfs/dbraw/zinc/93/27/35/721932735.db2.gz BWAXKFZDLYKFLE-UHFFFAOYSA-N 1 1 464.013 4.680 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)n1 ZINC001164949918 721967274 /nfs/dbraw/zinc/96/72/74/721967274.db2.gz ZITIEPDWXRBJGP-NEKDWFFYSA-N 1 1 491.705 4.919 20 0 JJADMO Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001164954373 722004039 /nfs/dbraw/zinc/00/40/39/722004039.db2.gz WVDUHVHOBWLPQE-DQEYMECFSA-N 1 1 461.613 4.817 20 0 JJADMO Fc1ccc(Cn2ccc3c2ncnc3N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1 ZINC001164952170 722018772 /nfs/dbraw/zinc/01/87/72/722018772.db2.gz IMUHMWAZLKFRMW-UHFFFAOYSA-N 1 1 456.569 4.506 20 0 JJADMO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955861 722020834 /nfs/dbraw/zinc/02/08/34/722020834.db2.gz PUBRXZWUHFYTEA-UHFFFAOYSA-N 1 1 459.928 4.595 20 0 JJADMO c1csc(-c2noc(-c3ccnc(N4CCC5(CC[N@H+](Cc6cccnc6)C5)CC4)c3)n2)c1 ZINC001164957166 722023236 /nfs/dbraw/zinc/02/32/36/722023236.db2.gz AEJJDZDHKHOPKD-UHFFFAOYSA-N 1 1 458.591 4.748 20 0 JJADMO COc1ccc(Cc2c(C)nc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc2C)cc1 ZINC001164963978 722024073 /nfs/dbraw/zinc/02/40/73/722024073.db2.gz UXBLCWSVTFZULB-UHFFFAOYSA-N 1 1 457.622 4.580 20 0 JJADMO Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(c2ccc4c(n2)CC[N@H+](Cc2ccccc2)C4)C3)n1 ZINC001164959057 722026391 /nfs/dbraw/zinc/02/63/91/722026391.db2.gz HQFXISUUOSVPDQ-SMCANUKXSA-N 1 1 498.671 4.936 20 0 JJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3OCCC[C@]3(COCc3cccc(C)n3)C2)nc1 ZINC001164959023 722027357 /nfs/dbraw/zinc/02/73/57/722027357.db2.gz HMTSRXKHNWOICB-STROYTFGSA-N 1 1 464.654 4.924 20 0 JJADMO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164964016 722055088 /nfs/dbraw/zinc/05/50/88/722055088.db2.gz QWLZMEHVNXJOGT-UHFFFAOYSA-N 1 1 472.967 4.947 20 0 JJADMO c1ccc(-c2nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc3ccccc32)cc1 ZINC001164962529 722055674 /nfs/dbraw/zinc/05/56/74/722055674.db2.gz FGQQLKDJOSVRIW-UHFFFAOYSA-N 1 1 465.601 4.811 20 0 JJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCn3c(COCc4cncc(C)c4)cnc3[C@@H]2C)nc1 ZINC001164965030 722063511 /nfs/dbraw/zinc/06/35/11/722063511.db2.gz IDFHEYPJQSAJIF-SQJMNOBHSA-N 1 1 460.626 4.826 20 0 JJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC3(CC2)Cc2ccccc2CNC3=O)n1 ZINC001164967401 722078538 /nfs/dbraw/zinc/07/85/38/722078538.db2.gz DWLJRJYSXJZMJR-UHFFFAOYSA-N 1 1 497.668 4.879 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3c4ccccc4[C@@H](NC(=O)N(C)C)[C@@H]3C2)n1 ZINC001164979144 722098004 /nfs/dbraw/zinc/09/80/04/722098004.db2.gz HFLAEYVBPHHHOD-PQNGQFLHSA-N 1 1 492.693 4.696 20 0 JJADMO c1csc(-c2csc3ncnc(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@@H]5C4)c23)c1 ZINC001164979099 722107873 /nfs/dbraw/zinc/10/78/73/722107873.db2.gz HBYAMRQMWIUATM-AZUAARDMSA-N 1 1 463.632 4.542 20 0 JJADMO Fc1ccc2nc(-c3ccccc3F)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164985812 722107900 /nfs/dbraw/zinc/10/79/00/722107900.db2.gz WYSXCJSIYBEZLO-IBVKSMDESA-N 1 1 487.554 4.697 20 0 JJADMO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164982863 722108294 /nfs/dbraw/zinc/10/82/94/722108294.db2.gz PNKVMCYRRVTBTD-WXVAWEFUSA-N 1 1 499.590 4.567 20 0 JJADMO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164982861 722108313 /nfs/dbraw/zinc/10/83/13/722108313.db2.gz PNKVMCYRRVTBTD-AMGIVPHBSA-N 1 1 499.590 4.567 20 0 JJADMO c1ccc(-c2ncc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2-c2ccccc2)cc1 ZINC001164975720 722114543 /nfs/dbraw/zinc/11/45/43/722114543.db2.gz KLRYTBCMXMJADN-SXOMAYOGSA-N 1 1 477.612 4.933 20 0 JJADMO Cc1ccc2nc(-c3ccccc3F)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164980453 722125532 /nfs/dbraw/zinc/12/55/32/722125532.db2.gz REWDLKSZGNYJJL-WXVAWEFUSA-N 1 1 483.591 4.867 20 0 JJADMO FC(F)(c1cccc2c(Cl)nccc21)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984229 722133158 /nfs/dbraw/zinc/13/31/58/722133158.db2.gz WOSZHYHGVHAJTD-PGRDOPGGSA-N 1 1 458.940 4.555 20 0 JJADMO FC(F)(c1cccc2c(Cl)nccc21)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984230 722133196 /nfs/dbraw/zinc/13/31/96/722133196.db2.gz WOSZHYHGVHAJTD-XMSQKQJNSA-N 1 1 458.940 4.555 20 0 JJADMO Cc1sc2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1-c1ccccc1 ZINC001164983320 722141198 /nfs/dbraw/zinc/14/11/98/722141198.db2.gz UCNXKVHZNLULPX-GOTSBHOMSA-N 1 1 471.630 4.789 20 0 JJADMO Fc1ccc(-c2nc3ccccc3c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164980265 722141371 /nfs/dbraw/zinc/14/13/71/722141371.db2.gz MITYTUGLKATBKA-BKMJKUGQSA-N 1 1 469.564 4.558 20 0 JJADMO Cc1sc2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1-c1ccccc1 ZINC001164983321 722141729 /nfs/dbraw/zinc/14/17/29/722141729.db2.gz UCNXKVHZNLULPX-PKTZIBPZSA-N 1 1 471.630 4.789 20 0 JJADMO Fc1ccc(-c2nnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c3ccccc32)cc1 ZINC001164982792 722141974 /nfs/dbraw/zinc/14/19/74/722141974.db2.gz SRWHFFAWBRVICC-BKMJKUGQSA-N 1 1 469.564 4.558 20 0 JJADMO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976261 722153708 /nfs/dbraw/zinc/15/37/08/722153708.db2.gz WJWJSARZHBIQEH-UWJYYQICSA-N 1 1 458.940 4.597 20 0 JJADMO CCN(CC)c1ccnc([C@@H]2COCCN2c2nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c32)n1 ZINC001164998865 722227246 /nfs/dbraw/zinc/22/72/46/722227246.db2.gz FWGRLUWLBKMJOI-FQEVSTJZSA-N 1 1 495.697 4.508 20 0 JJADMO CC(C)c1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001359714128 1064262374 /nfs/dbraw/zinc/26/23/74/1064262374.db2.gz LJEXKLNXJUIJAY-HSZRJFAPSA-N 1 1 480.701 4.541 20 0 JJADMO CC(C)c1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001359714129 1064262394 /nfs/dbraw/zinc/26/23/94/1064262394.db2.gz LJEXKLNXJUIJAY-QHCPKHFHSA-N 1 1 480.701 4.541 20 0 JJADMO CC(C)c1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001359715523 1064263856 /nfs/dbraw/zinc/26/38/56/1064263856.db2.gz CUMUSNSNHPEMCI-FQEVSTJZSA-N 1 1 460.617 4.661 20 0 JJADMO CC(C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1Cc1ccnc(C(F)(F)F)c1 ZINC001359719645 1064267308 /nfs/dbraw/zinc/26/73/08/1064267308.db2.gz RUGSMJVAQOBRHV-GOSISDBHSA-N 1 1 458.532 4.574 20 0 JJADMO CC(C)[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC001359728837 1064277220 /nfs/dbraw/zinc/27/72/20/1064277220.db2.gz MHCSQUZOWDWNGP-JOCHJYFZSA-N 1 1 489.668 4.686 20 0 JJADMO CC(C)[C@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001359729347 1064279782 /nfs/dbraw/zinc/27/97/82/1064279782.db2.gz XOHONGQZVZAQKU-FQEVSTJZSA-N 1 1 490.490 4.691 20 0 JJADMO CC(C)[C@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001359729347 1064279794 /nfs/dbraw/zinc/27/97/94/1064279794.db2.gz XOHONGQZVZAQKU-FQEVSTJZSA-N 1 1 490.490 4.691 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccccc3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001545870229 1064282868 /nfs/dbraw/zinc/28/28/68/1064282868.db2.gz JHETYALOQGEZKX-FCHUYYIVSA-N 1 1 480.701 4.701 20 0 JJADMO CC(C)[C@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001359731286 1064283570 /nfs/dbraw/zinc/28/35/70/1064283570.db2.gz JWJGTGXGZUTTPQ-NRFANRHFSA-N 1 1 460.066 4.506 20 0 JJADMO CC(C)[C@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001359731286 1064283589 /nfs/dbraw/zinc/28/35/89/1064283589.db2.gz JWJGTGXGZUTTPQ-NRFANRHFSA-N 1 1 460.066 4.506 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3C)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545870858 1064286373 /nfs/dbraw/zinc/28/63/73/1064286373.db2.gz YDWRMYHGTNTHIE-ZDXQCDESSA-N 1 1 494.728 4.867 20 0 JJADMO CC(C)[C@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001359733555 1064291185 /nfs/dbraw/zinc/29/11/85/1064291185.db2.gz BGKAAWIRZNDHKH-OAQYLSRUSA-N 1 1 471.447 4.793 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1Cc1ccc(F)cc1 ZINC001545876410 1064292921 /nfs/dbraw/zinc/29/29/21/1064292921.db2.gz ZGAZNUYVAVCDDA-OAQYLSRUSA-N 1 1 498.691 4.865 20 0 JJADMO CC(C)[C@H]1CCCN1c1nnc(-c2ccc(Br)cc2Cl)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001359734681 1064294386 /nfs/dbraw/zinc/29/43/86/1064294386.db2.gz ZORJAQCDWXZFLP-OXJNMPFZSA-N 1 1 496.881 4.707 20 0 JJADMO CC(C)[C@H]1CCCN1c1nnc(-c2ccc(Br)cc2Cl)n1CC[N@H+]1CCOC[C@@H]1C ZINC001359734681 1064294395 /nfs/dbraw/zinc/29/43/95/1064294395.db2.gz ZORJAQCDWXZFLP-OXJNMPFZSA-N 1 1 496.881 4.707 20 0 JJADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC001545880033 1064295673 /nfs/dbraw/zinc/29/56/73/1064295673.db2.gz NNENBAINZCPKLM-NRFANRHFSA-N 1 1 453.583 4.705 20 0 JJADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)CS[C@H](C)c1nc2ccccc2[nH]1 ZINC001545880143 1064296282 /nfs/dbraw/zinc/29/62/82/1064296282.db2.gz RGYPCRYWPDMKMK-UYAOXDASSA-N 1 1 452.624 4.576 20 0 JJADMO CC(C)[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001359737747 1064299369 /nfs/dbraw/zinc/29/93/69/1064299369.db2.gz FHAPCRXOQIERBO-UNMCSNQZSA-N 1 1 487.092 4.608 20 0 JJADMO CC(C)[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C(C)C)C1)[NH+]1CCOCC1 ZINC001359738766 1064302950 /nfs/dbraw/zinc/30/29/50/1064302950.db2.gz CLKGPYWMPVGYKE-ZWKOTPCHSA-N 1 1 496.519 4.608 20 0 JJADMO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001434885815 1064317726 /nfs/dbraw/zinc/31/77/26/1064317726.db2.gz WWRIMZBPLZBCAW-RLFYNMQTSA-N 1 1 451.792 4.822 20 0 JJADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)C1 ZINC001434885823 1064317787 /nfs/dbraw/zinc/31/77/87/1064317787.db2.gz WWRIMZBPLZBCAW-VKJFTORMSA-N 1 1 451.792 4.822 20 0 JJADMO CC(C)[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C(C)C)C1)[NH+]1CCOCC1 ZINC001359746080 1064321945 /nfs/dbraw/zinc/32/19/45/1064321945.db2.gz YHESRZZCIOXFGX-ZEQKJWHPSA-N 1 1 497.728 4.994 20 0 JJADMO CC(C)[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C(C)C)C1)[NH+]1CCOCC1 ZINC001359746077 1064322092 /nfs/dbraw/zinc/32/20/92/1064322092.db2.gz YHESRZZCIOXFGX-BVAGGSTKSA-N 1 1 497.728 4.994 20 0 JJADMO CC(C)[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C)[NH+]2CCOCC2)CCS1 ZINC001359748606 1064335604 /nfs/dbraw/zinc/33/56/04/1064335604.db2.gz ZYFKMAKKUQHQPI-REWPJTCUSA-N 1 1 471.715 4.541 20 0 JJADMO CC(C)[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCC[N@H+]2CCCC[C@H]2C)CCO1 ZINC001359753916 1064344344 /nfs/dbraw/zinc/34/43/44/1064344344.db2.gz UOALOUVYHXIFLB-ZJSXRUAMSA-N 1 1 457.638 4.524 20 0 JJADMO CC(C)[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CCO1 ZINC001359755077 1064346455 /nfs/dbraw/zinc/34/64/55/1064346455.db2.gz RULOZAKEEOPJCM-PKTZIBPZSA-N 1 1 460.066 4.828 20 0 JJADMO CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001359756369 1064353331 /nfs/dbraw/zinc/35/33/31/1064353331.db2.gz QGNDNWBYXWYYMZ-IFMALSPDSA-N 1 1 490.490 4.689 20 0 JJADMO CC(C)[C@@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001359759736 1064365507 /nfs/dbraw/zinc/36/55/07/1064365507.db2.gz LDRUGUTUCYDRRC-RSXGOPAZSA-N 1 1 467.702 4.825 20 0 JJADMO CC(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001359760766 1064370068 /nfs/dbraw/zinc/37/00/68/1064370068.db2.gz YXKQGTRXUMQQSM-ZEQKJWHPSA-N 1 1 471.665 4.626 20 0 JJADMO CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001359762115 1064374431 /nfs/dbraw/zinc/37/44/31/1064374431.db2.gz QEBMQIGVTLUDQM-GMAHTHKFSA-N 1 1 460.066 4.970 20 0 JJADMO C[C@@H](CNC(=O)c1ccc(Br)c(OC(F)(F)F)c1)[N@H+]1CCc2ccccc2C1 ZINC001434962418 1064378042 /nfs/dbraw/zinc/37/80/42/1064378042.db2.gz OCJXBNOIQGOJER-ZDUSSCGKSA-N 1 1 457.290 4.524 20 0 JJADMO CCCN(C(=O)CSCC(=O)Nc1ccc(C)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001434974391 1064388730 /nfs/dbraw/zinc/38/87/30/1064388730.db2.gz FQOZHALKLSOBLF-DEOSSOPVSA-N 1 1 453.652 4.570 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001359775340 1064418108 /nfs/dbraw/zinc/41/81/08/1064418108.db2.gz NUPSQHSIGCFIBT-RYRBGNSGSA-N 1 1 459.704 4.532 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1C[C@](C)(O)C1CCCCC1 ZINC001359777167 1064420607 /nfs/dbraw/zinc/42/06/07/1064420607.db2.gz CGHRTFDDGMJMMQ-LSYYVWMOSA-N 1 1 467.702 4.909 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CCC[C@@H]1CCCCO1 ZINC001359777829 1064422101 /nfs/dbraw/zinc/42/21/01/1064422101.db2.gz RUWGVSJBOXEJSY-RPBOFIJWSA-N 1 1 453.675 4.927 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1C[C@@H]1CCCO[C@@H]1C(C)C ZINC001359778131 1064423087 /nfs/dbraw/zinc/42/30/87/1064423087.db2.gz ZQHCCDJWDZJDMC-BFLUCZKCSA-N 1 1 453.675 4.639 20 0 JJADMO CC(C)Cc1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1Cc1csc2ccccc12 ZINC001359778667 1064423863 /nfs/dbraw/zinc/42/38/63/1064423863.db2.gz PFLLLAVPOPSMOJ-UHFFFAOYSA-N 1 1 455.672 4.534 20 0 JJADMO CC(C)Cc1nnc(N(C)Cc2cc(Br)cs2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001359779649 1064427084 /nfs/dbraw/zinc/42/70/84/1064427084.db2.gz SUTIHEVJQRUPKR-MRXNPFEDSA-N 1 1 454.482 4.669 20 0 JJADMO CC(C)Cc1nnc(N(C)Cc2cccc(OC(F)F)c2)n1CC[N@H+]1CCc2sccc2C1 ZINC001359780607 1064430528 /nfs/dbraw/zinc/43/05/28/1064430528.db2.gz CDSKUXHMEGPQQE-UHFFFAOYSA-N 1 1 475.609 4.834 20 0 JJADMO CC(C)Cc1nnc(N(C)CCC2CCOCC2)n1C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001359785022 1064438820 /nfs/dbraw/zinc/43/88/20/1064438820.db2.gz WSRQEXXGSAQVGX-ZJSXRUAMSA-N 1 1 459.704 4.874 20 0 JJADMO CC(C)Cc1nnc(N(C)CCC2CCOCC2)n1C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001359785019 1064438957 /nfs/dbraw/zinc/43/89/57/1064438957.db2.gz WSRQEXXGSAQVGX-QPPBQGQZSA-N 1 1 459.704 4.874 20 0 JJADMO CC(C)Cc1nnc(N2Cc3ccc(Br)cc3C2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001359791856 1064449410 /nfs/dbraw/zinc/44/94/10/1064449410.db2.gz GZBLNQUOZNPONY-MSOLQXFVSA-N 1 1 460.464 4.880 20 0 JJADMO CC(C)Cc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001359794389 1064452682 /nfs/dbraw/zinc/45/26/82/1064452682.db2.gz WTWZYTFNMLCACG-MDNUFGMLSA-N 1 1 493.618 4.935 20 0 JJADMO CC(C)Cc1nnc(N2CCC(C(=O)c3ccccc3)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359796257 1064455507 /nfs/dbraw/zinc/45/55/07/1064455507.db2.gz XBFAUBMCGCLBQD-ZRZAMGCNSA-N 1 1 465.686 4.944 20 0 JJADMO CC(C)Cc1nnc(N2CCC(C(=O)c3cccs3)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001359796968 1064458105 /nfs/dbraw/zinc/45/81/05/1064458105.db2.gz QNXQPBAMQIBIHG-NRFANRHFSA-N 1 1 457.688 4.758 20 0 JJADMO CC(C)Cc1nnc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001359799160 1064465128 /nfs/dbraw/zinc/46/51/28/1064465128.db2.gz YJWWBALCBUCIHC-YADHBBJMSA-N 1 1 490.737 4.727 20 0 JJADMO CC(C)Cc1nnc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001359800896 1064467849 /nfs/dbraw/zinc/46/78/49/1064467849.db2.gz MQBTVXJXCXFEFD-HFZDXXHNSA-N 1 1 471.665 4.830 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1CCOc1ncccc1Cl ZINC001359801813 1064469612 /nfs/dbraw/zinc/46/96/12/1064469612.db2.gz BFXLWJFTVSILBS-NRFANRHFSA-N 1 1 483.060 4.705 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1Cc1cccnc1OCC(F)F ZINC001359802440 1064470574 /nfs/dbraw/zinc/47/05/74/1064470574.db2.gz OEBXCTPZBNVPLE-NRFANRHFSA-N 1 1 498.622 4.665 20 0 JJADMO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001435052896 1064471168 /nfs/dbraw/zinc/47/11/68/1064471168.db2.gz LTTWNLIIZHHKNW-KCZVDYSFSA-N 1 1 466.931 4.993 20 0 JJADMO O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001435052896 1064471177 /nfs/dbraw/zinc/47/11/77/1064471177.db2.gz LTTWNLIIZHHKNW-KCZVDYSFSA-N 1 1 466.931 4.993 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCc3ccc(Cl)cc3C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001545888433 1064471236 /nfs/dbraw/zinc/47/12/36/1064471236.db2.gz LZPUVTNXFMHQBO-UHFFFAOYSA-N 1 1 487.092 4.677 20 0 JJADMO CC(C)Cc1nnc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1C[C@]1(O)CCCC1(C)C ZINC001359807662 1064478102 /nfs/dbraw/zinc/47/81/02/1064478102.db2.gz AQGDVNLQYZUNIG-MUUNZHRXSA-N 1 1 467.702 4.766 20 0 JJADMO CC(C)Cc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@@H](C)c1ccc(F)cc1 ZINC001359809265 1064482572 /nfs/dbraw/zinc/48/25/72/1064482572.db2.gz LFYHJXKFDXCDRC-VSKRKVRLSA-N 1 1 471.665 4.745 20 0 JJADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cc(Br)cc3c2OCCO3)c1 ZINC001359817208 1064498993 /nfs/dbraw/zinc/49/89/93/1064498993.db2.gz SSHYXBOLGASBBL-UHFFFAOYSA-N 1 1 456.340 4.841 20 0 JJADMO CC(C)Cc1nnc(N2CCC(OCCc3ccccc3)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001359817516 1064500600 /nfs/dbraw/zinc/50/06/00/1064500600.db2.gz GDIBOXMEDHIRPZ-VWLOTQADSA-N 1 1 467.702 4.825 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001359833308 1064518470 /nfs/dbraw/zinc/51/84/70/1064518470.db2.gz WBVKZTLUANLQPK-VQTJNVASSA-N 1 1 481.611 4.654 20 0 JJADMO CC(C)Cc1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001359841133 1064527935 /nfs/dbraw/zinc/52/79/35/1064527935.db2.gz CNBMFRAFWSMMAB-UHFFFAOYSA-N 1 1 470.662 4.792 20 0 JJADMO CC(C)Cc1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CCc1ccc(Br)cc1 ZINC001359841315 1064528637 /nfs/dbraw/zinc/52/86/37/1064528637.db2.gz KHMVAUMQRWCIBQ-UHFFFAOYSA-N 1 1 474.491 4.937 20 0 JJADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)[C@H](C)C1 ZINC001435130565 1064535674 /nfs/dbraw/zinc/53/56/74/1064535674.db2.gz BCTWTZCGSIFLNQ-NFBKMPQASA-N 1 1 452.599 4.506 20 0 JJADMO CC(C)Cc1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1Cc1cccc(Br)n1 ZINC001359850629 1064537003 /nfs/dbraw/zinc/53/70/03/1064537003.db2.gz VDZUNLZDIVZJLL-KRWDZBQOSA-N 1 1 489.487 4.627 20 0 JJADMO CC(C)Cc1nnc(N2CCN(c3ccccc3Cl)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001359852838 1064540083 /nfs/dbraw/zinc/54/00/83/1064540083.db2.gz WTPXIHBLRMZFIX-QFIPXVFZSA-N 1 1 473.109 4.969 20 0 JJADMO CC(C)Cc1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CCOc1ccccc1C(C)C ZINC001359855208 1064542514 /nfs/dbraw/zinc/54/25/14/1064542514.db2.gz GIGIYMDXCSNISL-JOCHJYFZSA-N 1 1 453.675 4.990 20 0 JJADMO CC(C)Cc1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1Cc1sccc1Br ZINC001359855131 1064542895 /nfs/dbraw/zinc/54/28/95/1064542895.db2.gz CPKQHEHCWGNYRI-MRXNPFEDSA-N 1 1 466.493 4.660 20 0 JJADMO CC(C)Cc1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CCCO[C@@H](C)c1ccccc1 ZINC001359855800 1064543249 /nfs/dbraw/zinc/54/32/49/1064543249.db2.gz SFQGOMBVNWSXEY-GOTSBHOMSA-N 1 1 453.675 4.955 20 0 JJADMO CC(C)Cc1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1Cc1ccccc1OCC(F)(F)F ZINC001359860170 1064548562 /nfs/dbraw/zinc/54/85/62/1064548562.db2.gz FXHLFPAMYPWDRD-UHFFFAOYSA-N 1 1 493.599 4.850 20 0 JJADMO CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001359860179 1064548918 /nfs/dbraw/zinc/54/89/18/1064548918.db2.gz FZAYPIOIAOELMB-PKTZIBPZSA-N 1 1 498.716 4.690 20 0 JJADMO CC(C)Cc1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359860683 1064550045 /nfs/dbraw/zinc/55/00/45/1064550045.db2.gz KZGQOPPAUTXNMK-IBGGVINMSA-N 1 1 466.718 4.698 20 0 JJADMO CC(C)Cc1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001359864006 1064553300 /nfs/dbraw/zinc/55/33/00/1064553300.db2.gz CSLMANJWCZWQRN-FPOVZHCZSA-N 1 1 453.528 4.772 20 0 JJADMO CS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)cc1Cl ZINC001359862945 1064553347 /nfs/dbraw/zinc/55/33/47/1064553347.db2.gz AAJUEYVMFRLQNH-RTBURBONSA-N 1 1 475.035 4.659 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001359865855 1064556439 /nfs/dbraw/zinc/55/64/39/1064556439.db2.gz JVNHZNIULWXKRW-HSZRJFAPSA-N 1 1 460.066 4.972 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(Br)c3)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001359866295 1064557039 /nfs/dbraw/zinc/55/70/39/1064557039.db2.gz OUXPAZVQJXUFPD-DENIHFKCSA-N 1 1 490.490 4.549 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@](C)(c3ccccc3)C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001359866395 1064557735 /nfs/dbraw/zinc/55/77/35/1064557735.db2.gz QLECMTSTLRHRSV-HOFKKMOUSA-N 1 1 453.675 4.883 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@H](c3ccccc3F)C2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001359868929 1064561175 /nfs/dbraw/zinc/56/11/75/1064561175.db2.gz PHEQVKQATNMPFY-QPPBQGQZSA-N 1 1 457.638 4.848 20 0 JJADMO C[S@@](=O)Cc1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)ccc1Cl ZINC001435171303 1064565612 /nfs/dbraw/zinc/56/56/12/1064565612.db2.gz SGGOJPRMUQMBCD-IYZCWWITSA-N 1 1 474.051 4.529 20 0 JJADMO C[S@](=O)Cc1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)ccc1Cl ZINC001435171291 1064565802 /nfs/dbraw/zinc/56/58/02/1064565802.db2.gz SGGOJPRMUQMBCD-ISOMHIKHSA-N 1 1 474.051 4.529 20 0 JJADMO CC(C)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001359880811 1064574325 /nfs/dbraw/zinc/57/43/25/1064574325.db2.gz JLYQEOAPRZQOEA-ZWKOTPCHSA-N 1 1 466.457 4.845 20 0 JJADMO CC(C)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001359880811 1064574344 /nfs/dbraw/zinc/57/43/44/1064574344.db2.gz JLYQEOAPRZQOEA-ZWKOTPCHSA-N 1 1 466.457 4.845 20 0 JJADMO CC(C)C[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001359881805 1064576141 /nfs/dbraw/zinc/57/61/41/1064576141.db2.gz SKPLLBJJIDXYFX-HBMCJLEFSA-N 1 1 457.638 4.844 20 0 JJADMO CN(C(=O)c1ccc(NC(=O)c2ccccc2SC(F)(F)F)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC001435188463 1064578025 /nfs/dbraw/zinc/57/80/25/1064578025.db2.gz KEYUTSIMIPTFIO-KRWDZBQOSA-N 1 1 451.514 4.717 20 0 JJADMO CN(C(=O)c1ccc(NC(=O)C2(Sc3ccccc3)CCCC2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001435189723 1064578901 /nfs/dbraw/zinc/57/89/01/1064578901.db2.gz RPEDJIJOMIUHJC-JOCHJYFZSA-N 1 1 451.636 4.896 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001435196697 1064585275 /nfs/dbraw/zinc/58/52/75/1064585275.db2.gz UKHMPCMSIPYWCG-BOCWGRARSA-N 1 1 477.649 4.592 20 0 JJADMO COc1cc(Cl)c(Br)cc1C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001435204947 1064590936 /nfs/dbraw/zinc/59/09/36/1064590936.db2.gz BZBGGIMYWUTTTO-OAHLLOKOSA-N 1 1 451.792 4.848 20 0 JJADMO CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001359891880 1064593867 /nfs/dbraw/zinc/59/38/67/1064593867.db2.gz YQGPJQAYERELAG-YIXXDRMTSA-N 1 1 497.087 4.891 20 0 JJADMO CC(C)CC[C@@](C)(O)Cn1c(CC(C)C)nnc1N1CCC[C@@]2(C1)C[N@H+](Cc1ccccc1)CCO2 ZINC001359895647 1064597162 /nfs/dbraw/zinc/59/71/62/1064597162.db2.gz GFVFTOGBXBAYCX-WDYNHAJCSA-N 1 1 497.728 4.535 20 0 JJADMO CC(C)CC[C@@](C)(O)Cn1c(CC(C)C)nnc1N1CCC[C@@]2(C1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001359895647 1064597178 /nfs/dbraw/zinc/59/71/78/1064597178.db2.gz GFVFTOGBXBAYCX-WDYNHAJCSA-N 1 1 497.728 4.535 20 0 JJADMO CC(C)CC[C@](C)(O)Cn1c(CC(C)C)nnc1N1CCC[C@]2(C1)C[N@H+](Cc1ccccc1)CCO2 ZINC001359895645 1064597207 /nfs/dbraw/zinc/59/72/07/1064597207.db2.gz GFVFTOGBXBAYCX-URLMMPGGSA-N 1 1 497.728 4.535 20 0 JJADMO CC(C)CC[C@](C)(O)Cn1c(CC(C)C)nnc1N1CCC[C@]2(C1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001359895645 1064597226 /nfs/dbraw/zinc/59/72/26/1064597226.db2.gz GFVFTOGBXBAYCX-URLMMPGGSA-N 1 1 497.728 4.535 20 0 JJADMO CC(C)CCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001359908022 1064624707 /nfs/dbraw/zinc/62/47/07/1064624707.db2.gz RHLZBQCTQAUVJN-DEOSSOPVSA-N 1 1 455.647 4.783 20 0 JJADMO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001435259939 1064635947 /nfs/dbraw/zinc/63/59/47/1064635947.db2.gz FIKPCKBGJVJBRJ-GIWBLDEGSA-N 1 1 457.640 4.588 20 0 JJADMO CC(C)CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC[N@@H+](C)C1CCCCC1 ZINC001359915274 1064636401 /nfs/dbraw/zinc/63/64/01/1064636401.db2.gz GMEWZKQVELYYNC-UHFFFAOYSA-N 1 1 455.647 4.853 20 0 JJADMO C[N@H+]1CCC[C@@H](CNC(=O)COc2ccc(OCc3ccccc3)cc2)[C@H]1c1cccs1 ZINC001435260281 1064636578 /nfs/dbraw/zinc/63/65/78/1064636578.db2.gz IOVKKBSMQLXARI-LVXARBLLSA-N 1 1 450.604 4.905 20 0 JJADMO CC(C)CCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001359918344 1064641041 /nfs/dbraw/zinc/64/10/41/1064641041.db2.gz FNTOAJHPAHSIPD-LOSJGSFVSA-N 1 1 453.675 4.957 20 0 JJADMO COc1ccc(-c2nc(COC(=O)c3ccc(C[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)cs2)cc1 ZINC001435272804 1064650673 /nfs/dbraw/zinc/65/06/73/1064650673.db2.gz LHPYUHLMARJAOT-ROUUACIJSA-N 1 1 452.576 4.785 20 0 JJADMO CC(C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001359933112 1064672928 /nfs/dbraw/zinc/67/29/28/1064672928.db2.gz CIVIPTNKENNZIB-BGYRXZFFSA-N 1 1 477.072 4.779 20 0 JJADMO Cc1cc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2cc(Br)ccc2n1 ZINC001435303214 1064678538 /nfs/dbraw/zinc/67/85/38/1064678538.db2.gz IWQFJYTYWRZTKH-IBGZPJMESA-N 1 1 452.396 4.900 20 0 JJADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCCCOc1ccc(Br)cc1 ZINC001435305081 1064679317 /nfs/dbraw/zinc/67/93/17/1064679317.db2.gz QXEMYKNEHIYXNU-NRFANRHFSA-N 1 1 459.428 4.979 20 0 JJADMO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(OC(F)F)c(Br)c2)CC1 ZINC001435308484 1064682572 /nfs/dbraw/zinc/68/25/72/1064682572.db2.gz CDRQGTWOLKDTRA-GOSISDBHSA-N 1 1 453.327 4.960 20 0 JJADMO CC(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001359947306 1064695957 /nfs/dbraw/zinc/69/59/57/1064695957.db2.gz GVJMAYVERLWYAM-WXFUMESZSA-N 1 1 453.675 4.954 20 0 JJADMO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c2cc(Br)ccc2n1 ZINC001435337018 1064707950 /nfs/dbraw/zinc/70/79/50/1064707950.db2.gz CAHHMKLEZNABIP-OPAMFIHVSA-N 1 1 452.396 4.946 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC001435338782 1064708806 /nfs/dbraw/zinc/70/88/06/1064708806.db2.gz JQTCUZDUARLRRF-FDDCHVKYSA-N 1 1 456.030 4.643 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H](C(C)C)C3)n2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC001359952040 1064712915 /nfs/dbraw/zinc/71/29/15/1064712915.db2.gz LVCRNIBZZMUEKM-NOZRDPDXSA-N 1 1 483.701 4.963 20 0 JJADMO Cn1cc(C(=O)NCc2ccccc2OCCC[N@@H+](C)C2CCCC2)c(-c2cccs2)n1 ZINC001435351625 1064717816 /nfs/dbraw/zinc/71/78/16/1064717816.db2.gz KGQANFRUEFBBLY-UHFFFAOYSA-N 1 1 452.624 4.722 20 0 JJADMO CC(C)CCOC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001359954621 1064720635 /nfs/dbraw/zinc/72/06/35/1064720635.db2.gz NZEJXOYJVHLJDY-HSZRJFAPSA-N 1 1 497.728 4.995 20 0 JJADMO Cc1c(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)cnn1-c1ccc(F)cc1F ZINC001359957175 1064725964 /nfs/dbraw/zinc/72/59/64/1064725964.db2.gz LIYJOWHTLVFJPQ-HXUWFJFHSA-N 1 1 458.940 4.897 20 0 JJADMO Cc1c(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)cnn1-c1ccc(F)cc1F ZINC001359957175 1064725976 /nfs/dbraw/zinc/72/59/76/1064725976.db2.gz LIYJOWHTLVFJPQ-HXUWFJFHSA-N 1 1 458.940 4.897 20 0 JJADMO CC(C)CCOCCn1c(C2CCCC2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001359967229 1064742142 /nfs/dbraw/zinc/74/21/42/1064742142.db2.gz MURCNKVBPITJSF-UHFFFAOYSA-N 1 1 457.638 4.850 20 0 JJADMO CC(C)CCOCCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001359967321 1064742879 /nfs/dbraw/zinc/74/28/79/1064742879.db2.gz PNDSTVITUPUJOA-ILBGXUMGSA-N 1 1 469.674 4.683 20 0 JJADMO CC(C)CN(C)c1nnc(-c2cc(Br)cn2C)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359970729 1064746466 /nfs/dbraw/zinc/74/64/66/1064746466.db2.gz BTAJRLZUTCBWRO-HDICACEKSA-N 1 1 465.484 4.506 20 0 JJADMO C[N@@H+](CCNC(=O)c1csc(Cc2cccc(C(F)(F)F)c2)n1)Cc1ccc(F)cc1 ZINC001435415607 1064746625 /nfs/dbraw/zinc/74/66/25/1064746625.db2.gz CRFNATTVCUMHKU-UHFFFAOYSA-N 1 1 451.489 4.754 20 0 JJADMO CC(C)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001359970810 1064747034 /nfs/dbraw/zinc/74/70/34/1064747034.db2.gz FJUSFYWVVVPRDV-INIZCTEOSA-N 1 1 451.457 4.638 20 0 JJADMO C[C@@H](CCNC(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2)[N@@H+](C)Cc1ccccc1 ZINC001435421701 1064749968 /nfs/dbraw/zinc/74/99/68/1064749968.db2.gz FZIQYACEUJKNIX-FQEVSTJZSA-N 1 1 451.611 4.620 20 0 JJADMO COc1ccc(-c2nc(C)c(C(=O)NCC[C@H](C)[N@@H+](C)Cc3ccccc3)s2)cc1OC ZINC001435422960 1064750626 /nfs/dbraw/zinc/75/06/26/1064750626.db2.gz MDVTZIGJVVNLKI-KRWDZBQOSA-N 1 1 453.608 4.776 20 0 JJADMO CC(C)CN(c1nnc(C(C)(C)C)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)C1CCCC1 ZINC001359982987 1064759146 /nfs/dbraw/zinc/75/91/46/1064759146.db2.gz IWCYFQCCENRQJF-RUZDIDTESA-N 1 1 467.702 4.986 20 0 JJADMO CC(C)CN(c1nnc(-c2ccc(Cl)nc2)n1CCC[N@H+]1CCCO[C@@H](C)C1)C1CCCC1 ZINC001359985131 1064763200 /nfs/dbraw/zinc/76/32/00/1064763200.db2.gz HDZZZCYLNRZHLG-FQEVSTJZSA-N 1 1 475.081 4.899 20 0 JJADMO CC[C@@H](NC(=O)c1ccc(C(F)(F)C(F)(F)F)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435453879 1064765595 /nfs/dbraw/zinc/76/55/95/1064765595.db2.gz AILTXHBKRWVCPX-WOJBJXKFSA-N 1 1 456.455 4.750 20 0 JJADMO CC[C@@H](NC(=O)c1ccc(C(F)(F)C(F)(F)F)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435453879 1064765604 /nfs/dbraw/zinc/76/56/04/1064765604.db2.gz AILTXHBKRWVCPX-WOJBJXKFSA-N 1 1 456.455 4.750 20 0 JJADMO CC[C@@H](NC(=O)c1ccc(C2SCCCS2)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435454874 1064766474 /nfs/dbraw/zinc/76/64/74/1064766474.db2.gz FWANFQVORVXPLB-DHIUTWEWSA-N 1 1 456.677 4.965 20 0 JJADMO CC[C@@H](NC(=O)c1ccc(C2SCCCS2)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435454874 1064766481 /nfs/dbraw/zinc/76/64/81/1064766481.db2.gz FWANFQVORVXPLB-DHIUTWEWSA-N 1 1 456.677 4.965 20 0 JJADMO CC[C@H](NC(=O)c1ccc(C2SCCCS2)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435454877 1064766715 /nfs/dbraw/zinc/76/67/15/1064766715.db2.gz FWANFQVORVXPLB-XZOQPEGZSA-N 1 1 456.677 4.965 20 0 JJADMO CC[C@H](NC(=O)c1ccc(C2SCCCS2)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435454877 1064766729 /nfs/dbraw/zinc/76/67/29/1064766729.db2.gz FWANFQVORVXPLB-XZOQPEGZSA-N 1 1 456.677 4.965 20 0 JJADMO CC[C@H](NC(=O)C(F)(F)c1cccc(Cl)c1Cl)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435456399 1064767007 /nfs/dbraw/zinc/76/70/07/1064767007.db2.gz NOJMXBMCPMEONN-RBUKOAKNSA-N 1 1 457.348 4.881 20 0 JJADMO CC[C@H](NC(=O)C(F)(F)c1cccc(Cl)c1Cl)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435456399 1064767020 /nfs/dbraw/zinc/76/70/20/1064767020.db2.gz NOJMXBMCPMEONN-RBUKOAKNSA-N 1 1 457.348 4.881 20 0 JJADMO CC[C@@H](NC(=O)C1(c2ccc(C)c(OC)c2)CCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435457055 1064767617 /nfs/dbraw/zinc/76/76/17/1064767617.db2.gz WBFZEFHDORFBKO-AOYPEHQESA-N 1 1 450.623 4.611 20 0 JJADMO CC[C@@H](NC(=O)C1(c2ccc(C)c(OC)c2)CCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435457055 1064767633 /nfs/dbraw/zinc/76/76/33/1064767633.db2.gz WBFZEFHDORFBKO-AOYPEHQESA-N 1 1 450.623 4.611 20 0 JJADMO CC(C)CN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](C(C)C)[NH+]1CCOCC1)C(C)C ZINC001359991833 1064773847 /nfs/dbraw/zinc/77/38/47/1064773847.db2.gz GWFBUFVQBKSFFD-VWLOTQADSA-N 1 1 466.674 4.578 20 0 JJADMO CC(C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001360006891 1064794163 /nfs/dbraw/zinc/79/41/63/1064794163.db2.gz YUZNDDHUEKWRBD-ACESQOTJSA-N 1 1 488.721 4.796 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCOC(C)(C)C2)C1 ZINC001360007538 1064795008 /nfs/dbraw/zinc/79/50/08/1064795008.db2.gz DMMWNWQTQKOSSY-NHCUHLMSSA-N 1 1 473.637 4.540 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCOC(C)(C)C2)C1 ZINC001360007537 1064795365 /nfs/dbraw/zinc/79/53/65/1064795365.db2.gz DMMWNWQTQKOSSY-LEWJYISDSA-N 1 1 473.637 4.540 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@@H]2CCCOC2)C1 ZINC001360008110 1064796176 /nfs/dbraw/zinc/79/61/76/1064796176.db2.gz KYPHAQIUASZKDY-UXHICEINSA-N 1 1 478.056 4.968 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cc(-c4ccccc4)[nH]n3)nnc2N(C)CC(F)(F)F)C1 ZINC001360008276 1064797268 /nfs/dbraw/zinc/79/72/68/1064797268.db2.gz OIHCBWLUXKOKEN-SFHVURJKSA-N 1 1 475.563 4.702 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2cccc(OC(F)F)c2)C1 ZINC001360009566 1064798847 /nfs/dbraw/zinc/79/88/47/1064798847.db2.gz BXZXANJWXQWHQC-FQEVSTJZSA-N 1 1 472.584 4.879 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2cccc(OC(F)F)c2)C1 ZINC001360009567 1064798905 /nfs/dbraw/zinc/79/89/05/1064798905.db2.gz BXZXANJWXQWHQC-HXUWFJFHSA-N 1 1 472.584 4.879 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)[C@@H](C)c2cccs2)C1 ZINC001360009944 1064799614 /nfs/dbraw/zinc/79/96/14/1064799614.db2.gz HSLLHUYRMAZYRK-LEWJYISDSA-N 1 1 452.672 4.891 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(Cc3ccccn3)nnc2N(C)[C@H](C)c2cccs2)C1 ZINC001360009946 1064799803 /nfs/dbraw/zinc/79/98/03/1064799803.db2.gz HSLLHUYRMAZYRK-RTWAWAEBSA-N 1 1 452.672 4.891 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccccc3F)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)C1 ZINC001360010174 1064800828 /nfs/dbraw/zinc/80/08/28/1064800828.db2.gz LUXJNDUCCUGGOO-BBTUJRGHSA-N 1 1 483.554 4.608 20 0 JJADMO CN(C(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001435517527 1064800836 /nfs/dbraw/zinc/80/08/36/1064800836.db2.gz GNNSDHFGYQRSIX-HXUWFJFHSA-N 1 1 458.002 4.962 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)CCOc2ccc(Cl)cc2)C1 ZINC001360010102 1064800877 /nfs/dbraw/zinc/80/08/77/1064800877.db2.gz KNPJVEJJQMXRCJ-FCHUYYIVSA-N 1 1 490.092 4.709 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccccc3F)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)C1 ZINC001360010176 1064801016 /nfs/dbraw/zinc/80/10/16/1064801016.db2.gz LUXJNDUCCUGGOO-LVCYWYKZSA-N 1 1 483.554 4.608 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001360010368 1064801553 /nfs/dbraw/zinc/80/15/53/1064801553.db2.gz OXPQAPQFNIPMQV-FKBYEOEOSA-N 1 1 490.737 4.584 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C3CCCC3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)C1 ZINC001360010185 1064801605 /nfs/dbraw/zinc/80/16/05/1064801605.db2.gz LYZUJTWKBRJNJJ-GGAORHGYSA-N 1 1 488.721 4.749 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(COc3ccccc3F)nnc2N(C)CC2CCCC2)C1 ZINC001360011407 1064805243 /nfs/dbraw/zinc/80/52/43/1064805243.db2.gz DDOZABQWEVMKLR-JOCHJYFZSA-N 1 1 457.638 4.991 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(COc3ccccc3F)nnc2N2CCC[C@@H]2C(C)C)C1 ZINC001360011311 1064805305 /nfs/dbraw/zinc/80/53/05/1064805305.db2.gz BRPAXQZUIVEESC-FYYLOGMGSA-N 1 1 457.638 4.989 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCOC[C@H]2C)C1 ZINC001360011715 1064806364 /nfs/dbraw/zinc/80/63/64/1064806364.db2.gz HGWYAVFYCPTICU-WOJBJXKFSA-N 1 1 478.106 4.817 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(N3CCO[C@@H](c4ccc(F)c(F)c4)C3)nnc2C(C)(C)C)C1 ZINC001360011816 1064807389 /nfs/dbraw/zinc/80/73/89/1064807389.db2.gz IVIZOHDULAIXKS-WMZHIEFXSA-N 1 1 475.628 4.800 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(N3C[C@@H](c4ccsc4)O[C@@H](C)C3)nnc2C(C)(C)C)C1 ZINC001360012399 1064810061 /nfs/dbraw/zinc/81/00/61/1064810061.db2.gz REGGGRUBJVWYCP-ONTIZHBOSA-N 1 1 459.704 4.972 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)CC2CCCCC2)C1 ZINC001360012777 1064810935 /nfs/dbraw/zinc/81/09/35/1064810935.db2.gz VUAAZSZWDUVYMO-QFIPXVFZSA-N 1 1 486.730 4.654 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(Cc3ccsc3)nnc2N(C)CCC2CCOCC2)C1 ZINC001360012840 1064811106 /nfs/dbraw/zinc/81/11/06/1064811106.db2.gz XLBPFZFIELYYCQ-HSZRJFAPSA-N 1 1 459.704 4.551 20 0 JJADMO COCCSc1ccc([C@H](C)NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1 ZINC001360020229 1064823801 /nfs/dbraw/zinc/82/38/01/1064823801.db2.gz RXDJNVCTQGEXSI-WUMKDDEVSA-N 1 1 481.687 4.975 20 0 JJADMO CC(C)CN1CCN(c2nnc(C3CCCC3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)[C@@H](C)C1=O ZINC001360025871 1064828513 /nfs/dbraw/zinc/82/85/13/1064828513.db2.gz XIFJPVCXLSFQIT-CVDCTZTESA-N 1 1 487.092 4.585 20 0 JJADMO Cc1cccc(CNC(=O)c2ccc(C(=O)N3C[C@H](C)[N@@H+](Cc4ccccc4)C[C@@H]3C)cc2)c1 ZINC001435563363 1064835312 /nfs/dbraw/zinc/83/53/12/1064835312.db2.gz BKYFGJBGGSIMGA-GOTSBHOMSA-N 1 1 455.602 4.660 20 0 JJADMO Cc1cccc(CNC(=O)c2ccc(C(=O)N3C[C@H](C)[N@H+](Cc4ccccc4)C[C@@H]3C)cc2)c1 ZINC001435563363 1064835317 /nfs/dbraw/zinc/83/53/17/1064835317.db2.gz BKYFGJBGGSIMGA-GOTSBHOMSA-N 1 1 455.602 4.660 20 0 JJADMO C[C@@H]1CN(C(=O)C2(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001435565095 1064836907 /nfs/dbraw/zinc/83/69/07/1064836907.db2.gz HWQQOESYYIGCKO-RTWAWAEBSA-N 1 1 455.643 4.535 20 0 JJADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)Cc2ccsc2)C1 ZINC001360034164 1064838319 /nfs/dbraw/zinc/83/83/19/1064838319.db2.gz BUQRXCNJBQQAHW-PZJWPPBQSA-N 1 1 487.645 4.612 20 0 JJADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2C[C@@H](C)CC(C)(C)C2)C1 ZINC001360034700 1064839228 /nfs/dbraw/zinc/83/92/28/1064839228.db2.gz GXNDIZGTPWNKKF-SIKLNZKXSA-N 1 1 460.066 4.828 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@H](C(C)C)C2)C1 ZINC001360036261 1064844077 /nfs/dbraw/zinc/84/40/77/1064844077.db2.gz WXYMJDYHQPZEST-VABKMULXSA-N 1 1 487.664 4.786 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@H](C)C(C)(C)C2)C1 ZINC001360036176 1064844252 /nfs/dbraw/zinc/84/42/52/1064844252.db2.gz UWAPWJUIIFUGGW-UGKGYDQZSA-N 1 1 491.627 4.776 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(C(F)(F)F)CC2)C1 ZINC001360036177 1064844299 /nfs/dbraw/zinc/84/42/99/1064844299.db2.gz UYCWXEUIXDJGPL-FQEVSTJZSA-N 1 1 485.982 4.734 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@H](C(C)C)C2)C1 ZINC001360036262 1064844776 /nfs/dbraw/zinc/84/47/76/1064844776.db2.gz WXYMJDYHQPZEST-VJBWXMMDSA-N 1 1 487.664 4.786 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccc(Cl)cc3)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)C1 ZINC001360036359 1064845311 /nfs/dbraw/zinc/84/53/11/1064845311.db2.gz YMRZRUPTBWGCLW-PTUXOGIPSA-N 1 1 460.066 4.970 20 0 JJADMO CC(C)COC(=O)N1CCCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC001360038583 1064849546 /nfs/dbraw/zinc/84/95/46/1064849546.db2.gz HLVGFSMHOXDCDL-HSZRJFAPSA-N 1 1 488.721 4.677 20 0 JJADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(COc3ccccc3F)nnc2N(C)[C@@H](C)c2cccs2)C1 ZINC001360038210 1064849858 /nfs/dbraw/zinc/84/98/58/1064849858.db2.gz CJOZAZSWPYSSMO-VQTJNVASSA-N 1 1 487.645 4.612 20 0 JJADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(N(C)Cc3ccccc3C(F)(F)F)nnc2C(C)(C)C)C1 ZINC001360038737 1064850380 /nfs/dbraw/zinc/85/03/80/1064850380.db2.gz JFNBAOGNKODOMN-LJQANCHMSA-N 1 1 467.580 4.588 20 0 JJADMO C[C@@H]1C[C@@H](CCNC(=O)c2ccccc2CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC001435586350 1064850533 /nfs/dbraw/zinc/85/05/33/1064850533.db2.gz MIADKKYAVZNGTB-IFMALSPDSA-N 1 1 451.611 4.742 20 0 JJADMO C[C@H]1C[C@H](CCNC(=O)c2cnnn2-c2cc(Cl)ccc2Cl)C[N@H+]1Cc1ccccc1 ZINC001435586406 1064851434 /nfs/dbraw/zinc/85/14/34/1064851434.db2.gz MVIVNHBRSZXUJJ-WMZOPIPTSA-N 1 1 458.393 4.605 20 0 JJADMO C[C@H]1C[C@H](CCNC(=O)C(F)(F)c2ccccc2Br)C[N@H+]1Cc1ccccc1 ZINC001435587950 1064852886 /nfs/dbraw/zinc/85/28/86/1064852886.db2.gz TZBBFWKXOZJFDI-WMZOPIPTSA-N 1 1 451.355 4.958 20 0 JJADMO C[C@@H]1C[C@H](CCNC(=O)C2=Cc3cc(Br)ccc3OC2)C[N@H+]1Cc1ccccc1 ZINC001435588519 1064853843 /nfs/dbraw/zinc/85/38/43/1064853843.db2.gz XYAWJETXDYNVIA-MJGOQNOKSA-N 1 1 455.396 4.642 20 0 JJADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3ccc(Cl)s3)C2)C1 ZINC001360039764 1064854446 /nfs/dbraw/zinc/85/44/46/1064854446.db2.gz MXSCBNUYSCCGMU-MOPGFXCFSA-N 1 1 496.121 4.516 20 0 JJADMO CC(C)COC(=O)N1CCCN(c2nnc(-c3ccccc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001360042714 1064859018 /nfs/dbraw/zinc/85/90/18/1064859018.db2.gz ZVGNMMBKUBPUPQ-PSWAGMNNSA-N 1 1 496.700 4.618 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H](CC)[C@H](c1ccc(C)cc1)n1cncn1 ZINC001435593949 1064859910 /nfs/dbraw/zinc/85/99/10/1064859910.db2.gz RYBLFCBAIJSGCZ-CWTOASCOSA-N 1 1 459.638 4.619 20 0 JJADMO CC(C)COC(=O)N1CCCN(c2nnc(CC(C)(C)C)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001360044622 1064863475 /nfs/dbraw/zinc/86/34/75/1064863475.db2.gz YANVVOCMKFNUCP-UHFFFAOYSA-N 1 1 490.737 4.826 20 0 JJADMO CC(C)COc1cccc(Cn2c(Cc3ccsc3)nnc2N2CCC[N@H+](C(C)C)CC2)c1 ZINC001360051273 1064878116 /nfs/dbraw/zinc/87/81/16/1064878116.db2.gz AIXLSBDLWFWSOQ-UHFFFAOYSA-N 1 1 467.683 4.934 20 0 JJADMO CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001360056083 1064886246 /nfs/dbraw/zinc/88/62/46/1064886246.db2.gz AGTDEPSIZYUPLR-SIKLNZKXSA-N 1 1 477.600 4.530 20 0 JJADMO CC(C)CO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001360056082 1064886329 /nfs/dbraw/zinc/88/63/29/1064886329.db2.gz AGTDEPSIZYUPLR-KNQAVFIVSA-N 1 1 477.600 4.530 20 0 JJADMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1csc(-c2cccs2)n1 ZINC001435625272 1064886490 /nfs/dbraw/zinc/88/64/90/1064886490.db2.gz PJGKAEXYSCZDSC-UTKZUKDTSA-N 1 1 454.665 4.877 20 0 JJADMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1csc(-c2cccs2)n1 ZINC001435625272 1064886503 /nfs/dbraw/zinc/88/65/03/1064886503.db2.gz PJGKAEXYSCZDSC-UTKZUKDTSA-N 1 1 454.665 4.877 20 0 JJADMO CC(C)CO[C@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC001360061980 1064901927 /nfs/dbraw/zinc/90/19/27/1064901927.db2.gz FCMKDBSRYZMNLU-RPBOFIJWSA-N 1 1 467.702 4.683 20 0 JJADMO CC(C)COCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001360066262 1064908839 /nfs/dbraw/zinc/90/88/39/1064908839.db2.gz IBXNDHSFGGZHAV-UHFFFAOYSA-N 1 1 461.054 4.511 20 0 JJADMO CC(C)CO[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001360067533 1064912298 /nfs/dbraw/zinc/91/22/98/1064912298.db2.gz XIXOLSOEZVGOOB-OAQYLSRUSA-N 1 1 476.090 4.737 20 0 JJADMO O=C(Cn1nc(C(F)F)cc1C1CC1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001435669769 1064923141 /nfs/dbraw/zinc/92/31/41/1064923141.db2.gz RGXYNQACRYBDQP-UHFFFAOYSA-N 1 1 457.352 4.786 20 0 JJADMO CC(C)[N@H+](Cc1ccc(NC(=O)c2ncsc2Br)cc1)C[C@H]1CCCCO1 ZINC001435672489 1064925786 /nfs/dbraw/zinc/92/57/86/1064925786.db2.gz HBDDFDODDOMZSI-QGZVFWFLSA-N 1 1 452.418 4.937 20 0 JJADMO CC(=O)N[C@@H](CC(=O)Nc1ccc(C[N@H+](C[C@H]2CCCCO2)C(C)C)cc1)c1cccs1 ZINC001435672386 1064925808 /nfs/dbraw/zinc/92/58/08/1064925808.db2.gz GDWDNJBIKJYQQE-PKTZIBPZSA-N 1 1 457.640 4.734 20 0 JJADMO CC(C)[N@H+](Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)CC(C)(C)C)cc1)C[C@@H]1CCCCO1 ZINC001435675416 1064927718 /nfs/dbraw/zinc/92/77/18/1064927718.db2.gz VSQSUSANQBTIAQ-ZEQRLZLVSA-N 1 1 457.659 4.832 20 0 JJADMO COc1cc(C(=O)Nc2ccc(C[N@@H+](C[C@@H]3CCCCO3)C(C)C)cc2)cc(OC)c1OC ZINC001435675357 1064927907 /nfs/dbraw/zinc/92/79/07/1064927907.db2.gz UPHNAPSIUSVDAT-QFIPXVFZSA-N 1 1 456.583 4.744 20 0 JJADMO CC(C)CSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001360081084 1064940455 /nfs/dbraw/zinc/94/04/55/1064940455.db2.gz ZWLGSLJEYUNGCT-URXFXBBRSA-N 1 1 485.742 4.789 20 0 JJADMO COc1ccc(Br)cc1C1(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001435707793 1064949647 /nfs/dbraw/zinc/94/96/47/1064949647.db2.gz WFAQKACLBDGYTO-PKOBYXMFSA-N 1 1 457.412 4.516 20 0 JJADMO C[C@@H](NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001435708890 1064949864 /nfs/dbraw/zinc/94/98/64/1064949864.db2.gz ZGMVOMKCAPZQPH-HQMWTILSSA-N 1 1 453.671 4.659 20 0 JJADMO CC(C)CSCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001360087144 1064951522 /nfs/dbraw/zinc/95/15/22/1064951522.db2.gz MQYAFZFFBIAOQB-GOTSBHOMSA-N 1 1 470.731 4.744 20 0 JJADMO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001360089757 1064957067 /nfs/dbraw/zinc/95/70/67/1064957067.db2.gz YTLGTAPMZDVDEO-UHFFFAOYSA-N 1 1 487.092 4.556 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2Cc2csc(-c3ccco3)n2)CC1 ZINC001360092417 1064961537 /nfs/dbraw/zinc/96/15/37/1064961537.db2.gz FGZUAXKDOUOFID-UHFFFAOYSA-N 1 1 456.660 4.897 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(C2CC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001360092710 1064963171 /nfs/dbraw/zinc/96/31/71/1064963171.db2.gz PFVAOJCFWPLOSO-DEOSSOPVSA-N 1 1 496.700 4.880 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(Cc2ccccn2)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001360092841 1064964104 /nfs/dbraw/zinc/96/41/04/1064964104.db2.gz UYKVOCLOUUKESO-HSZRJFAPSA-N 1 1 458.654 4.945 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCOCC(F)F)CC1 ZINC001360092930 1064964607 /nfs/dbraw/zinc/96/46/07/1064964607.db2.gz XTUQIMDEKDZLJR-UHFFFAOYSA-N 1 1 473.971 4.576 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 ZINC001360094526 1064965678 /nfs/dbraw/zinc/96/56/78/1064965678.db2.gz CQKHEGINXPWVNC-ZEQKJWHPSA-N 1 1 490.092 4.637 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(C3CCCC3)n2CCCCNC(=O)OC(C)(C)C)CC1 ZINC001360094741 1064966672 /nfs/dbraw/zinc/96/66/72/1064966672.db2.gz KVQLOUBYRLFSIJ-UHFFFAOYSA-N 1 1 476.710 4.797 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(C3CC3)n2Cc2ccccc2OCC(F)(F)F)CC1 ZINC001360094709 1064966723 /nfs/dbraw/zinc/96/67/23/1064966723.db2.gz JVKCBVTZJSSSMQ-UHFFFAOYSA-N 1 1 465.564 4.702 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(C3CCC3)n2Cc2c(F)cc(F)c(F)c2F)CC1 ZINC001360095162 1064968348 /nfs/dbraw/zinc/96/83/48/1064968348.db2.gz YVYWPCGTMYUKDQ-UHFFFAOYSA-N 1 1 453.528 4.707 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(F)c(Cl)c2)CC1 ZINC001360095385 1064969135 /nfs/dbraw/zinc/96/91/35/1064969135.db2.gz HLQOJTOXEXBIQS-OAQYLSRUSA-N 1 1 450.002 4.527 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(Cl)cc2)CC1 ZINC001360095357 1064969206 /nfs/dbraw/zinc/96/92/06/1064969206.db2.gz GUOVAVZPPYYGBE-UHFFFAOYSA-N 1 1 453.034 4.522 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3cccnc3)n2CCc2ccccc2Cl)CC1 ZINC001360095454 1064969793 /nfs/dbraw/zinc/96/97/93/1064969793.db2.gz JFUKYPFVYVOFGB-UHFFFAOYSA-N 1 1 467.061 4.717 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(CCc3ccccc3)n2Cc2ccc(Cl)nc2)CC1 ZINC001360095673 1064970234 /nfs/dbraw/zinc/97/02/34/1064970234.db2.gz NRIVKODJUCUODT-UHFFFAOYSA-N 1 1 467.061 4.717 20 0 JJADMO CCOc1nc(C(F)(F)F)ccc1C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435746735 1064970642 /nfs/dbraw/zinc/97/06/42/1064970642.db2.gz HWBDIFWQJSPXRO-ACJLOTCBSA-N 1 1 459.871 4.714 20 0 JJADMO CCOc1nc(C(F)(F)F)ccc1C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435746735 1064970656 /nfs/dbraw/zinc/97/06/56/1064970656.db2.gz HWBDIFWQJSPXRO-ACJLOTCBSA-N 1 1 459.871 4.714 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3cccnc3)n2Cc2nc(C(C)(C)C)cs2)CC1 ZINC001360096134 1064971732 /nfs/dbraw/zinc/97/17/32/1064971732.db2.gz YONVWBJWZRSKHK-UHFFFAOYSA-N 1 1 481.714 4.623 20 0 JJADMO CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435749357 1064972052 /nfs/dbraw/zinc/97/20/52/1064972052.db2.gz MOPJGCZEYRLCQJ-LBUQITIBSA-N 1 1 457.981 4.926 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001360097260 1064973776 /nfs/dbraw/zinc/97/37/76/1064973776.db2.gz BEYRJTIIYNJSSP-FQEVSTJZSA-N 1 1 478.479 4.689 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(CC(F)F)CC1 ZINC001360097336 1064973834 /nfs/dbraw/zinc/97/38/34/1064973834.db2.gz DEJHTENTLJXXGC-UHFFFAOYSA-N 1 1 497.059 4.931 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2cc(F)ccc2Br)nnc1N(C)C[C@@H]1CCCCO1 ZINC001360097304 1064973855 /nfs/dbraw/zinc/97/38/55/1064973855.db2.gz CLIXKAVIQIUHBU-SFHVURJKSA-N 1 1 482.442 4.582 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC001360097311 1064974101 /nfs/dbraw/zinc/97/41/01/1064974101.db2.gz COHWZXDTSZNIQR-NHCUHLMSSA-N 1 1 494.453 4.725 20 0 JJADMO C[N@H+]1CC[C@H](CNC(=O)c2cccc(OCc3cscn3)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435750536 1064975209 /nfs/dbraw/zinc/97/52/09/1064975209.db2.gz RLRWGAWRVSTVGQ-VGSWGCGISA-N 1 1 459.974 4.937 20 0 JJADMO CC(C)c1c(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cnn1-c1ccccn1 ZINC001435751865 1064976051 /nfs/dbraw/zinc/97/60/51/1064976051.db2.gz ZTEOMFXGVVKNKI-GAJHUEQPSA-N 1 1 455.965 4.606 20 0 JJADMO CC(C)c1c(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cnn1-c1ccccn1 ZINC001435751865 1064976063 /nfs/dbraw/zinc/97/60/63/1064976063.db2.gz ZTEOMFXGVVKNKI-GAJHUEQPSA-N 1 1 455.965 4.606 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Br)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 ZINC001360097693 1064976657 /nfs/dbraw/zinc/97/66/57/1064976657.db2.gz QEGYLINGCPBFDK-OAQYLSRUSA-N 1 1 490.490 4.691 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001360098382 1064978017 /nfs/dbraw/zinc/97/80/17/1064978017.db2.gz PUJWHFOIIBLRSI-OAQYLSRUSA-N 1 1 476.547 4.600 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(C2CCC2)nnc1N1CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 ZINC001360100101 1064979360 /nfs/dbraw/zinc/97/93/60/1064979360.db2.gz HEIIMVGFZBOCSL-HXUWFJFHSA-N 1 1 498.663 4.747 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]2CC[C@@H]21 ZINC001360100309 1064980063 /nfs/dbraw/zinc/98/00/63/1064980063.db2.gz KBNRZHREVUQEKF-FSSWDIPSSA-N 1 1 474.694 4.502 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(c2nccs2)CC1 ZINC001360101266 1064981168 /nfs/dbraw/zinc/98/11/68/1064981168.db2.gz JMNBBAPFFMIYJK-UHFFFAOYSA-N 1 1 456.635 4.579 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001360101542 1064981867 /nfs/dbraw/zinc/98/18/67/1064981867.db2.gz SNLFJMUPEPMRGU-CALCHBBNSA-N 1 1 455.544 4.605 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(N2CC(C)(C)OC(C)(C)C2)nnc1C1(c2ccccc2)CCC1 ZINC001360103843 1064984213 /nfs/dbraw/zinc/98/42/13/1064984213.db2.gz ZPTVUNQUSPUBAT-UHFFFAOYSA-N 1 1 453.675 4.872 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC1CCCCC1 ZINC001360103721 1064984402 /nfs/dbraw/zinc/98/44/02/1064984402.db2.gz VTGSSGHIPQCXIN-SZPZYZBQSA-N 1 1 476.710 4.796 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(OCC2CC2)CC1 ZINC001360106478 1064987858 /nfs/dbraw/zinc/98/78/58/1064987858.db2.gz DOUVJFHVIMQDKD-UHFFFAOYSA-N 1 1 466.457 4.988 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C1CCC2(CC1)OCCO2 ZINC001360106442 1064988002 /nfs/dbraw/zinc/98/80/02/1064988002.db2.gz CWNLKOUUFBXRDZ-UHFFFAOYSA-N 1 1 482.456 4.714 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1cccs1 ZINC001360106571 1064988023 /nfs/dbraw/zinc/98/80/23/1064988023.db2.gz IYDJXCJMFCWYIZ-UHFFFAOYSA-N 1 1 466.424 4.885 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC001360106943 1064988617 /nfs/dbraw/zinc/98/86/17/1064988617.db2.gz XBNTVDQVDMBUTQ-JXFKEZNVSA-N 1 1 452.430 4.597 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)Cc1cnn(C)c1 ZINC001360106803 1064988735 /nfs/dbraw/zinc/98/87/35/1064988735.db2.gz RSEYISIPFOJFQU-UHFFFAOYSA-N 1 1 467.618 4.523 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(Cc2cccs2)CC1 ZINC001360107023 1064988895 /nfs/dbraw/zinc/98/88/95/1064988895.db2.gz ZKJVBFJIGRBUTR-UHFFFAOYSA-N 1 1 493.508 4.976 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 ZINC001360109843 1064991669 /nfs/dbraw/zinc/99/16/69/1064991669.db2.gz JPPVDCYVELQPKF-GMAHTHKFSA-N 1 1 488.721 4.749 20 0 JJADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 ZINC001360111110 1064992358 /nfs/dbraw/zinc/99/23/58/1064992358.db2.gz YXDMZGURSZVFTN-DNVJHFABSA-N 1 1 488.721 4.749 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)OC1CCCC1 ZINC001360112288 1064993993 /nfs/dbraw/zinc/99/39/93/1064993993.db2.gz BHCPTMQFOUVZMD-UHFFFAOYSA-N 1 1 456.418 4.815 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C2CCOCC2)C1 ZINC001360112833 1064994138 /nfs/dbraw/zinc/99/41/38/1064994138.db2.gz MJXHAFZNKDTCMO-IBGZPJMESA-N 1 1 496.483 4.757 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001360113268 1064994669 /nfs/dbraw/zinc/99/46/69/1064994669.db2.gz VIWWNYVNOBFADC-HSZRJFAPSA-N 1 1 471.690 4.746 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC001360113247 1064994861 /nfs/dbraw/zinc/99/48/61/1064994861.db2.gz UMDAYGDSCNKHLA-PXNSSMCTSA-N 1 1 482.456 4.509 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(CCOc2ccccc2)nnc1N1CCC2(C1)CCC(F)(F)CC2 ZINC001360113097 1064994975 /nfs/dbraw/zinc/99/49/75/1064994975.db2.gz RBKHXEADNZBIET-UHFFFAOYSA-N 1 1 461.601 4.646 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(Br)c(C(F)(F)F)cc1F ZINC001435805712 1065001449 /nfs/dbraw/zinc/00/14/49/1065001449.db2.gz QVKKHYLNRUCMIT-SGTLLEGYSA-N 1 1 459.281 4.857 20 0 JJADMO CC(C)[NH+](CCn1c(-c2ccc(Br)s2)nnc1N1CCN2CCCC[C@@H]2C1)C(C)C ZINC001360128377 1065022748 /nfs/dbraw/zinc/02/27/48/1065022748.db2.gz HEFNZOXPLMNLBD-GOSISDBHSA-N 1 1 495.535 4.562 20 0 JJADMO CCCN(C(=O)c1cccc(NC(=O)OC(C)(C)C)n1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001360130266 1065025742 /nfs/dbraw/zinc/02/57/42/1065025742.db2.gz XCSKXPRKHHIKIE-NRFANRHFSA-N 1 1 452.599 4.945 20 0 JJADMO Cc1ccc(-c2ncc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CCN(C)CC3)s2)c(C)c1 ZINC001435864872 1065032160 /nfs/dbraw/zinc/03/21/60/1065032160.db2.gz GWPITCHMPOMTIS-DHIUTWEWSA-N 1 1 454.684 4.836 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N(C)Cc2ncc(Cl)n2C)C1 ZINC001360138047 1065033998 /nfs/dbraw/zinc/03/39/98/1065033998.db2.gz ABTSAMHXTPOLHH-QGZVFWFLSA-N 1 1 476.456 4.742 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)C1 ZINC001360139314 1065035464 /nfs/dbraw/zinc/03/54/64/1065035464.db2.gz PXFOFMFNJYCFDV-RBUKOAKNSA-N 1 1 499.025 4.792 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cc(F)ccc3Br)nnc2N(C)C2CCC2)C1 ZINC001360138946 1065035644 /nfs/dbraw/zinc/03/56/44/1065035644.db2.gz LYLTZYAJLRPUBA-MRXNPFEDSA-N 1 1 464.427 4.956 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3ccc[nH]3)nnc2N(C)CCOc2ccccc2Cl)C1 ZINC001360139623 1065036307 /nfs/dbraw/zinc/03/63/07/1065036307.db2.gz RYFRTOGKHRDFIH-IBGZPJMESA-N 1 1 457.022 4.562 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3ccccc3F)nnc2N2CC=C(C(F)(F)F)CC2)C1 ZINC001360139855 1065036678 /nfs/dbraw/zinc/03/66/78/1065036678.db2.gz VNKAHNOAQZDHAW-KRWDZBQOSA-N 1 1 451.512 4.903 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCOC[C@@H]2C)C1 ZINC001360140178 1065036709 /nfs/dbraw/zinc/03/67/09/1065036709.db2.gz YQDQSARLRUAUIE-DLBZAZTESA-N 1 1 452.430 4.597 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)[C@H](C)c2ccccc2F)C1 ZINC001360140455 1065037422 /nfs/dbraw/zinc/03/74/22/1065037422.db2.gz DONHWWDRGZEZMA-NHCUHLMSSA-N 1 1 450.606 4.721 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(CC3CCCC3)nnc2N2CCC=C(Br)C2)C1 ZINC001360140474 1065037460 /nfs/dbraw/zinc/03/74/60/1065037460.db2.gz DYFKDZRACDKVPH-IBGZPJMESA-N 1 1 450.469 4.620 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)C1 ZINC001360140643 1065038527 /nfs/dbraw/zinc/03/85/27/1065038527.db2.gz HZIYHPQUBYZJPA-KJQYSAOYSA-N 1 1 499.750 4.986 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(CC3CC3)nnc2N(C)CCc2ccc(Br)cc2)C1 ZINC001360140663 1065038548 /nfs/dbraw/zinc/03/85/48/1065038548.db2.gz IJSPVOLXJMBKAR-OAQYLSRUSA-N 1 1 474.491 4.792 20 0 JJADMO O=C(CCCOc1ccc(Cl)cc1Cl)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC001435875724 1065039122 /nfs/dbraw/zinc/03/91/22/1065039122.db2.gz MNESJVIYQGATDA-IBGZPJMESA-N 1 1 453.435 4.886 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cccc(OC(F)F)c2)C1 ZINC001360141554 1065040276 /nfs/dbraw/zinc/04/02/76/1065040276.db2.gz QJKWQBPMKPBRQS-LEWJYISDSA-N 1 1 477.600 4.530 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2cccc(OC(F)F)c2)C1 ZINC001360141559 1065040417 /nfs/dbraw/zinc/04/04/17/1065040417.db2.gz QJKWQBPMKPBRQS-RTWAWAEBSA-N 1 1 477.600 4.530 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)[C@H]2CCOC2)C1 ZINC001360141736 1065040835 /nfs/dbraw/zinc/04/08/35/1065040835.db2.gz RRLBSJIEIFIBAT-GMAHTHKFSA-N 1 1 469.674 4.500 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCC[C@H](OC(C)(C)C)C2)C1 ZINC001360142152 1065041736 /nfs/dbraw/zinc/04/17/36/1065041736.db2.gz UKLVHZKHSMCXTJ-YADHBBJMSA-N 1 1 459.704 4.835 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001360143394 1065043970 /nfs/dbraw/zinc/04/39/70/1065043970.db2.gz GBJCPQOYVVHDTN-LJQANCHMSA-N 1 1 491.080 4.774 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001360143393 1065043999 /nfs/dbraw/zinc/04/39/99/1065043999.db2.gz GBJCPQOYVVHDTN-IBGZPJMESA-N 1 1 491.080 4.774 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(C3(c4ccccc4)CCC3)n2CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001360143623 1065044686 /nfs/dbraw/zinc/04/46/86/1065044686.db2.gz KCALFERVPAFIQL-UHFFFAOYSA-N 1 1 496.700 4.536 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cccc(Cl)c2)CC1 ZINC001360143779 1065044800 /nfs/dbraw/zinc/04/48/00/1065044800.db2.gz MCRCZEYLXQMFRE-UHFFFAOYSA-N 1 1 491.865 4.668 20 0 JJADMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cc2cc(Br)ccc2s1 ZINC001435889847 1065046960 /nfs/dbraw/zinc/04/69/60/1065046960.db2.gz MZWDGDHSCIWQNZ-LJQANCHMSA-N 1 1 459.409 4.685 20 0 JJADMO CC(C)n1nc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCCC(C)(C)C)c2ccccc2c1=O ZINC001360144668 1065047004 /nfs/dbraw/zinc/04/70/04/1065047004.db2.gz RSVTWBCFYPHGCO-UHFFFAOYSA-N 1 1 493.700 4.983 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(Cc3ccccn3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CC1 ZINC001360146294 1065048441 /nfs/dbraw/zinc/04/84/41/1065048441.db2.gz IGOOMJCXSCLEAK-HSZRJFAPSA-N 1 1 490.549 4.806 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(CC(C)(C)C)n2Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC001360146572 1065048591 /nfs/dbraw/zinc/04/85/91/1065048591.db2.gz PDTGHQVYTBGAJE-UHFFFAOYSA-N 1 1 467.580 4.777 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H]2CCCOC2)CC1 ZINC001360146931 1065049275 /nfs/dbraw/zinc/04/92/75/1065049275.db2.gz ALKWAMUKZVCEGJ-SFHVURJKSA-N 1 1 482.456 4.511 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(O)CCC[C@H]2C)CC1 ZINC001360147303 1065050146 /nfs/dbraw/zinc/05/01/46/1065050146.db2.gz PSHVFSZVPKMKJJ-KOSHJBKYSA-N 1 1 496.483 4.636 20 0 JJADMO CC(C)c1nc(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)nn1-c1ccccc1Cl ZINC001360148124 1065050558 /nfs/dbraw/zinc/05/05/58/1065050558.db2.gz BDQFLYODMMFTAN-QGZVFWFLSA-N 1 1 453.974 4.690 20 0 JJADMO C[C@@H](c1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)no2)cc1)[NH+]1CCOCC1 ZINC001360148781 1065051880 /nfs/dbraw/zinc/05/18/80/1065051880.db2.gz NQLPHRVBPSZAEW-HNNXBMFYSA-N 1 1 456.340 4.750 20 0 JJADMO CCOCCC[N@H+]1CC[C@H](NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)[C@H](C)C1 ZINC001360150600 1065054432 /nfs/dbraw/zinc/05/44/32/1065054432.db2.gz HASMUDJKJKKEIQ-WBVHZDCISA-N 1 1 457.562 4.501 20 0 JJADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)[C@H](C)C1 ZINC001360151023 1065055110 /nfs/dbraw/zinc/05/51/10/1065055110.db2.gz PSUVXLOKQQIBRT-QAPCUYQASA-N 1 1 455.546 4.696 20 0 JJADMO CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC001435923609 1065065719 /nfs/dbraw/zinc/06/57/19/1065065719.db2.gz CIMVDACKNFYGKZ-UHFFFAOYSA-N 1 1 457.372 4.738 20 0 JJADMO C[C@H](Oc1ccccc1Br)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC001435927127 1065067563 /nfs/dbraw/zinc/06/75/63/1065067563.db2.gz VPWXCFNMUXZUPD-LBPRGKRZSA-N 1 1 456.178 4.679 20 0 JJADMO C[NH+](C)[C@H](C(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)c1cccc(Cl)c1 ZINC001435935585 1065071272 /nfs/dbraw/zinc/07/12/72/1065071272.db2.gz YLNBHSSHHPMTGG-ZEQRLZLVSA-N 1 1 450.966 4.586 20 0 JJADMO CC(C)(C)c1ccccc1OCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001360207516 1065080589 /nfs/dbraw/zinc/08/05/89/1065080589.db2.gz FUUVIWWXUMXVCE-FGZHOGPDSA-N 1 1 463.647 4.851 20 0 JJADMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC001435995855 1065098918 /nfs/dbraw/zinc/09/89/18/1065098918.db2.gz WOBJSFZNGLNARQ-HSZRJFAPSA-N 1 1 458.444 4.936 20 0 JJADMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cnn(-c2ccccc2)c1Br ZINC001435994962 1065099016 /nfs/dbraw/zinc/09/90/16/1065099016.db2.gz NCIPJWBOXNILSH-OAQYLSRUSA-N 1 1 455.400 4.521 20 0 JJADMO O=C(Nc1cccc(OC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c1)c1ccco1 ZINC001360252430 1065100405 /nfs/dbraw/zinc/10/04/05/1065100405.db2.gz JTKKOPMPKIJAKA-QHCPKHFHSA-N 1 1 458.436 4.892 20 0 JJADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCCCNC(=O)OCc1ccccc1 ZINC001436018317 1065116682 /nfs/dbraw/zinc/11/66/82/1065116682.db2.gz WOSSGDHVFBZLAL-XMMPIXPASA-N 1 1 451.611 4.500 20 0 JJADMO Cc1cc(C(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)ccc1OC(F)(F)F ZINC001436065006 1065155771 /nfs/dbraw/zinc/15/57/71/1065155771.db2.gz QHODMLIFKRSVHA-UHFFFAOYSA-N 1 1 459.468 4.943 20 0 JJADMO CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)c3ccccc3)n2CC[N@H+]2CCCC(C)(C)C2)CCOC1 ZINC001360320661 1065157269 /nfs/dbraw/zinc/15/72/69/1065157269.db2.gz DFQBWLBOTBOURB-LXFBAYGMSA-N 1 1 483.701 4.681 20 0 JJADMO CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CCOC1 ZINC001360324302 1065162718 /nfs/dbraw/zinc/16/27/18/1065162718.db2.gz NKAHHGMIOCAUHT-DVECYGJZSA-N 1 1 496.121 4.790 20 0 JJADMO CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(Cl)c(F)c3)n2CC[N@@H+](C)C2CCCC2)CCOC1 ZINC001360324350 1065163752 /nfs/dbraw/zinc/16/37/52/1065163752.db2.gz OBQNIVZBSNBFDT-VWLOTQADSA-N 1 1 494.055 4.622 20 0 JJADMO Cc1ccccc1-n1ncc(C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1C(F)(F)F ZINC001436094778 1065176479 /nfs/dbraw/zinc/17/64/79/1065176479.db2.gz FGBPYFRLMMPXPJ-DEOSSOPVSA-N 1 1 456.512 4.842 20 0 JJADMO CC(C)O[C@]1(c2nnc(N3CC[C@@H](C(C)C)C3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CCOC1 ZINC001360335198 1065180669 /nfs/dbraw/zinc/18/06/69/1065180669.db2.gz ACUCZRCIXROECK-ROSOWXQZSA-N 1 1 490.092 4.757 20 0 JJADMO C[NH+](C)Cc1ccc(NC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)cc1Cl ZINC001436106095 1065183657 /nfs/dbraw/zinc/18/36/57/1065183657.db2.gz YQJHUQAGTHUJCD-HXUWFJFHSA-N 1 1 450.808 4.940 20 0 JJADMO CC(C)O[C@]1(c2nnc(N3CC[C@@H](C)[C@H](C)C3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CCOC1 ZINC001360336784 1065185656 /nfs/dbraw/zinc/18/56/56/1065185656.db2.gz YALKWIFECNMNCZ-MVOZIGHISA-N 1 1 483.701 4.690 20 0 JJADMO CC(C)O[C@]1(c2nnc(N3CCC[N@H+](C(C)C)CC3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CCOC1 ZINC001360345758 1065195070 /nfs/dbraw/zinc/19/50/70/1065195070.db2.gz NJVHIXKLOLKOLQ-ZRCGQRJVSA-N 1 1 487.611 4.533 20 0 JJADMO CC(C)OCCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001360377164 1065238106 /nfs/dbraw/zinc/23/81/06/1065238106.db2.gz ZGCMZROYYUHGTJ-DLBZAZTESA-N 1 1 482.492 4.647 20 0 JJADMO CCC[N@@H+](C)[C@H](CNC(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC001436197536 1065244929 /nfs/dbraw/zinc/24/49/29/1065244929.db2.gz JPAPDTDVNQZQLZ-FGZHOGPDSA-N 1 1 450.410 4.760 20 0 JJADMO CCC[N@@H+](C)[C@H](CNC(=O)c1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(Cl)cc1 ZINC001436197599 1065245466 /nfs/dbraw/zinc/24/54/66/1065245466.db2.gz KKLAFHWXFYJMFM-OHUGHZGNSA-N 1 1 458.046 4.762 20 0 JJADMO CN(C(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001360387116 1065250988 /nfs/dbraw/zinc/25/09/88/1065250988.db2.gz ABRMPPXVYTXXBR-QGZVFWFLSA-N 1 1 453.892 4.777 20 0 JJADMO CC(C)OCCCn1c(-c2cccnc2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001360387009 1065251235 /nfs/dbraw/zinc/25/12/35/1065251235.db2.gz WUZKCBYDHXNWPO-QFIPXVFZSA-N 1 1 454.663 4.636 20 0 JJADMO CC(C)OCCCn1c(-c2cccn2C)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001360386756 1065251303 /nfs/dbraw/zinc/25/13/03/1065251303.db2.gz NUXWKAWODZFKNO-LADGPHEKSA-N 1 1 464.658 4.588 20 0 JJADMO C/C(=C\C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001360387221 1065251827 /nfs/dbraw/zinc/25/18/27/1065251827.db2.gz DATARZNEMVHLCK-DKXPKDADSA-N 1 1 459.512 4.914 20 0 JJADMO CN(C(=O)c1ccc(NC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001360387496 1065251948 /nfs/dbraw/zinc/25/19/48/1065251948.db2.gz IXRDGNMGKCNIAE-UXHICEINSA-N 1 1 451.464 4.521 20 0 JJADMO CN(C(=O)c1ccc(NC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC001360387497 1065252147 /nfs/dbraw/zinc/25/21/47/1065252147.db2.gz IXRDGNMGKCNIAE-VQTJNVASSA-N 1 1 451.464 4.521 20 0 JJADMO CN(C(=O)c1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC001360388416 1065253157 /nfs/dbraw/zinc/25/31/57/1065253157.db2.gz TZVVLNBSJDRZDX-SANMLTNESA-N 1 1 455.602 4.890 20 0 JJADMO CC(C)OCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001360394232 1065258692 /nfs/dbraw/zinc/25/86/92/1065258692.db2.gz NGAPKNINWVHTDG-UHFFFAOYSA-N 1 1 484.472 4.900 20 0 JJADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001360413138 1065275677 /nfs/dbraw/zinc/27/56/77/1065275677.db2.gz NQOXSYKBRCIKDH-UHFFFAOYSA-N 1 1 493.599 4.545 20 0 JJADMO CC(C)OCC[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2=CCCCC2)CC1 ZINC001360413335 1065275723 /nfs/dbraw/zinc/27/57/23/1065275723.db2.gz VBTCTYQIAUQPHX-UHFFFAOYSA-N 1 1 474.049 4.558 20 0 JJADMO CCc1nc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)nn1-c1c(Cl)cccc1Cl ZINC001360412689 1065275764 /nfs/dbraw/zinc/27/57/64/1065275764.db2.gz XCYSDNALADNFIX-QGZVFWFLSA-N 1 1 458.393 4.531 20 0 JJADMO CC(C)[C@@H]1C[C@H]1n1c(-c2ccc(Br)s2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001360424847 1065293794 /nfs/dbraw/zinc/29/37/94/1065293794.db2.gz LOKPRQFSSIWJFR-JKSUJKDBSA-N 1 1 452.466 4.907 20 0 JJADMO CC(C)[C@@H]1C[C@H]1n1c(-c2ccccc2Br)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001360425345 1065294842 /nfs/dbraw/zinc/29/48/42/1065294842.db2.gz DJENNFSSCZIAPZ-PZJWPPBQSA-N 1 1 490.490 4.719 20 0 JJADMO C[C@H](c1cc(F)ccc1F)N(C)c1nnc(CC2CCCC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001360428348 1065300743 /nfs/dbraw/zinc/30/07/43/1065300743.db2.gz ICDKOMCRCRZEKE-HXUWFJFHSA-N 1 1 488.671 4.760 20 0 JJADMO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc([C@H]2CCCOC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001360429370 1065304295 /nfs/dbraw/zinc/30/42/95/1065304295.db2.gz UWXLGLWDBYDKRJ-OALUTQOASA-N 1 1 461.601 4.912 20 0 JJADMO CN(C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001436382687 1065306544 /nfs/dbraw/zinc/30/65/44/1065306544.db2.gz NYYFTRTUSGGSID-UHFFFAOYSA-N 1 1 451.611 4.838 20 0 JJADMO COC(=O)c1ccc(Cl)c(C(=O)N2CC[N@@H+](CCCc3ccccc3)C[C@H]2CC(C)C)c1 ZINC001436434444 1065317933 /nfs/dbraw/zinc/31/79/33/1065317933.db2.gz WRPLLDUIEZLFKO-JOCHJYFZSA-N 1 1 457.014 4.932 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(I)cc1OC ZINC001436481144 1065330511 /nfs/dbraw/zinc/33/05/11/1065330511.db2.gz XXKBXKJSNKQUNP-IEBWSBKVSA-N 1 1 478.374 4.787 20 0 JJADMO CCC[C@@H]1CN(C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)CC[N@H+]1CCOC ZINC001545898892 1065333237 /nfs/dbraw/zinc/33/32/37/1065333237.db2.gz DDYKFQMWNSDIQF-LJQANCHMSA-N 1 1 451.542 4.721 20 0 JJADMO C[C@H](c1ccco1)N(C)c1nnc([C@H]2CCCOC2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001360458243 1065357778 /nfs/dbraw/zinc/35/77/78/1065357778.db2.gz GLNNDWDOJMOYAG-LVCYWYKZSA-N 1 1 458.006 4.919 20 0 JJADMO CCc1nc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nn1-c1ccccc1Cl ZINC001360459515 1065361157 /nfs/dbraw/zinc/36/11/57/1065361157.db2.gz JNSFUMNJAMTYET-UYAOXDASSA-N 1 1 452.002 4.608 20 0 JJADMO COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC001436567009 1065368481 /nfs/dbraw/zinc/36/84/81/1065368481.db2.gz NGBFXJYZUIADCT-OAQYLSRUSA-N 1 1 454.574 4.798 20 0 JJADMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(-c3ccccn3)n2CCCC(F)(F)F)CC1 ZINC001360466134 1065377255 /nfs/dbraw/zinc/37/72/55/1065377255.db2.gz IWFJTAFRGRSCAL-INIZCTEOSA-N 1 1 450.534 4.627 20 0 JJADMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(C(C)(C)C)n2CCSCC(F)(F)F)CC1 ZINC001360466505 1065378613 /nfs/dbraw/zinc/37/86/13/1065378613.db2.gz MMCABEVYTCUFOU-HNNXBMFYSA-N 1 1 461.623 4.816 20 0 JJADMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC(C)(F)F)CC1 ZINC001360466744 1065379403 /nfs/dbraw/zinc/37/94/03/1065379403.db2.gz HUHZRCFUOMGTFG-KRWDZBQOSA-N 1 1 463.573 4.998 20 0 JJADMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(N(C)C)c2)CC1 ZINC001360468052 1065383208 /nfs/dbraw/zinc/38/32/08/1065383208.db2.gz XMYPXNMCLGSFMC-FQEVSTJZSA-N 1 1 466.699 4.926 20 0 JJADMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C(F)(F)c1ccc(Br)cc1 ZINC001436597148 1065390728 /nfs/dbraw/zinc/39/07/28/1065390728.db2.gz DSDCXWPLHSUAFB-SFHVURJKSA-N 1 1 451.355 4.959 20 0 JJADMO COc1cccc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)c1Cl ZINC001436632306 1065408308 /nfs/dbraw/zinc/40/83/08/1065408308.db2.gz VWFGEAJOBZIQNM-XZOQPEGZSA-N 1 1 452.957 4.815 20 0 JJADMO Cc1onc(-c2cccc(Br)c2)c1C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001436725628 1065430388 /nfs/dbraw/zinc/43/03/88/1065430388.db2.gz KGCMPPMTVIHFCY-MRXNPFEDSA-N 1 1 454.368 4.759 20 0 JJADMO Cc1onc(-c2cccc(Br)c2)c1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001436725628 1065430400 /nfs/dbraw/zinc/43/04/00/1065430400.db2.gz KGCMPPMTVIHFCY-MRXNPFEDSA-N 1 1 454.368 4.759 20 0 JJADMO C[C@H](CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC001360504622 1065435873 /nfs/dbraw/zinc/43/58/73/1065435873.db2.gz ABPSVSHFDBWMAL-OAHLLOKOSA-N 1 1 499.379 4.945 20 0 JJADMO C[C@H](c1cccs1)N(C)c1nnc(C(=O)N2CCCC2)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001360504783 1065436715 /nfs/dbraw/zinc/43/67/15/1065436715.db2.gz BXIBPDMGMRJRTK-LEWJYISDSA-N 1 1 480.682 4.684 20 0 JJADMO COCC[N@@H+](C)CCCC1CCN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC001545901425 1065438184 /nfs/dbraw/zinc/43/81/84/1065438184.db2.gz MMXNXTLFKABUIT-UHFFFAOYSA-N 1 1 451.822 4.623 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCc3cc(Cl)cc(Br)c3)cc2)C[C@H](C)O1 ZINC001436791830 1065441846 /nfs/dbraw/zinc/44/18/46/1065441846.db2.gz SPFJONMJQOOAGU-GASCZTMLSA-N 1 1 451.792 4.642 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCc3cc(Cl)cc(Br)c3)cc2)C[C@H](C)O1 ZINC001436791830 1065441856 /nfs/dbraw/zinc/44/18/56/1065441856.db2.gz SPFJONMJQOOAGU-GASCZTMLSA-N 1 1 451.792 4.642 20 0 JJADMO C[C@H](CCn1c(N2CCC(OC[C@@H]3CCOC3)CC2)nnc1C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001360510224 1065452395 /nfs/dbraw/zinc/45/23/95/1065452395.db2.gz GQPPPDUZVFJGDQ-ISKFKSNPSA-N 1 1 483.701 4.508 20 0 JJADMO C[C@@H](CCn1c(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001360510263 1065453400 /nfs/dbraw/zinc/45/34/00/1065453400.db2.gz HCJNWCUOKMRLLD-JTHBVZDNSA-N 1 1 498.716 4.837 20 0 JJADMO CC(C)c1nnc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001360513824 1065462626 /nfs/dbraw/zinc/46/26/26/1065462626.db2.gz ITYNOAPOPHIYGZ-VWNXMTODSA-N 1 1 498.716 4.863 20 0 JJADMO C[C@H](CCn1c(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001360514027 1065464423 /nfs/dbraw/zinc/46/44/23/1065464423.db2.gz MFIVEWADWCCOBD-IFMALSPDSA-N 1 1 484.689 4.590 20 0 JJADMO C[C@H](CCn1c(Nc2ccn(C)n2)nnc1[C@@H]1CCO[C@H]1C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001360514717 1065469164 /nfs/dbraw/zinc/46/91/64/1065469164.db2.gz YGSMRWZIQGTXQR-KJXAQDMKSA-N 1 1 465.646 4.584 20 0 JJADMO O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001436936420 1065476738 /nfs/dbraw/zinc/47/67/38/1065476738.db2.gz RMYRIRCUEBQAAG-BEFAXECRSA-N 1 1 464.201 4.558 20 0 JJADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3cnn(Cc4cc(F)ccc4Cl)c3)cc2)C[C@@H](C)O1 ZINC001436967045 1065482813 /nfs/dbraw/zinc/48/28/13/1065482813.db2.gz SUYBIQNYZFQZGO-IAGOWNOFSA-N 1 1 456.949 4.585 20 0 JJADMO C[C@@H](CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC[N@H+]1CCC[C@H]1C)c1nccs1 ZINC001360519285 1065485268 /nfs/dbraw/zinc/48/52/68/1065485268.db2.gz KKEYTXINBJIARR-DLBZAZTESA-N 1 1 476.597 4.727 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccsc2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001545903766 1065490990 /nfs/dbraw/zinc/49/09/90/1065490990.db2.gz HXSDVJRUQDBAFN-KNQAVFIVSA-N 1 1 472.703 4.864 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccsc2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001545903767 1065491061 /nfs/dbraw/zinc/49/10/61/1065491061.db2.gz HXSDVJRUQDBAFN-SIKLNZKXSA-N 1 1 472.703 4.864 20 0 JJADMO C[C@@H](CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC[NH+]1CCOCC1)c1nccs1 ZINC001360520605 1065493893 /nfs/dbraw/zinc/49/38/93/1065493893.db2.gz JRICMTWHWNQCSQ-INIZCTEOSA-N 1 1 495.480 4.671 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@@H](COCc3ccccc3)c3ccccc3)cc2)C[C@H](C)O1 ZINC001360522418 1065497360 /nfs/dbraw/zinc/49/73/60/1065497360.db2.gz DKRBLLOJVTXZDI-JWZKTCGFSA-N 1 1 458.602 4.984 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@@H](COCc3ccccc3)c3ccccc3)cc2)C[C@H](C)O1 ZINC001360522418 1065497366 /nfs/dbraw/zinc/49/73/66/1065497366.db2.gz DKRBLLOJVTXZDI-JWZKTCGFSA-N 1 1 458.602 4.984 20 0 JJADMO C[C@@H](CN(C)c1nnc(COc2ccccc2F)n1C[C@H]1[N@@H+](C)CCCC1(C)C)c1nccs1 ZINC001360529283 1065508965 /nfs/dbraw/zinc/50/89/65/1065508965.db2.gz FPGOSJHVPHPDHI-GHTZIAJQSA-N 1 1 486.661 4.813 20 0 JJADMO C[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC=C(C(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001360531488 1065513383 /nfs/dbraw/zinc/51/33/83/1065513383.db2.gz TYJVILJGBUBFSJ-SFHVURJKSA-N 1 1 485.076 4.527 20 0 JJADMO C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccc(Cl)s1)[N@@H+](C)C1CC1 ZINC001360535470 1065517420 /nfs/dbraw/zinc/51/74/20/1065517420.db2.gz OARYMYLUIFJTEO-CYBMUJFWSA-N 1 1 497.894 4.880 20 0 JJADMO C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001360536047 1065518123 /nfs/dbraw/zinc/51/81/23/1065518123.db2.gz KIHXOMYHEONWRS-LAUBAEHRSA-N 1 1 489.064 4.527 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001545905444 1065518547 /nfs/dbraw/zinc/51/85/47/1065518547.db2.gz BJKDOOFJQGWGHP-AMGIVPHBSA-N 1 1 470.706 4.644 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001545905445 1065518613 /nfs/dbraw/zinc/51/86/13/1065518613.db2.gz BJKDOOFJQGWGHP-CUNXSJBXSA-N 1 1 470.706 4.644 20 0 JJADMO CCC[N@@H+](Cc1ccccc1)Cc1ccc(NC(=O)c2cccc(CS(C)(=O)=O)c2)cc1 ZINC001437227741 1065522598 /nfs/dbraw/zinc/52/25/98/1065522598.db2.gz UKFLZSRDELEQKV-UHFFFAOYSA-N 1 1 450.604 4.896 20 0 JJADMO C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1ccsc1)[NH+]1CCOCC1 ZINC001360540072 1065524287 /nfs/dbraw/zinc/52/42/87/1065524287.db2.gz DEBXEYGCEUKHGO-LJQANCHMSA-N 1 1 453.656 4.661 20 0 JJADMO C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C(=O)C(F)(F)F)CC1)[N@@H+](C)C1CC1 ZINC001360541237 1065527459 /nfs/dbraw/zinc/52/74/59/1065527459.db2.gz JRQCADLQSQOUIJ-CYBMUJFWSA-N 1 1 487.929 4.568 20 0 JJADMO C[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1cc(Cl)ccn1)[NH+]1CCOCC1 ZINC001360541786 1065529682 /nfs/dbraw/zinc/52/96/82/1065529682.db2.gz TZWFNKSSDJKRRO-IBGZPJMESA-N 1 1 483.060 4.648 20 0 JJADMO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccc(OC(F)F)c1)[N@@H+](C)C1CC1 ZINC001360542149 1065530761 /nfs/dbraw/zinc/53/07/61/1065530761.db2.gz RMPILWLIYFCIJR-HNNXBMFYSA-N 1 1 476.959 4.714 20 0 JJADMO C[C@@H](Cn1c(-c2ccccc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1)[N@@H+](C)C1CC1 ZINC001360544781 1065534867 /nfs/dbraw/zinc/53/48/67/1065534867.db2.gz PTASESHDZCBIMZ-AWEZNQCLSA-N 1 1 450.534 4.540 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2Cc2ccccc2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001545906181 1065535531 /nfs/dbraw/zinc/53/55/31/1065535531.db2.gz SOAIQWTXCATKJH-WIOPSUGQSA-N 1 1 494.728 4.919 20 0 JJADMO C[C@H](Cn1c(-c2ccccc2Br)nnc1N(C)CCCc1ccccn1)[N@@H+](C)C1CC1 ZINC001360545322 1065535981 /nfs/dbraw/zinc/53/59/81/1065535981.db2.gz ZFTFOIDHWXNSTE-GOSISDBHSA-N 1 1 483.458 4.654 20 0 JJADMO C[C@@H](Cn1c(-c2cccnc2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1)[N@@H+](C)C1CC1 ZINC001360549793 1065541922 /nfs/dbraw/zinc/54/19/22/1065541922.db2.gz ZDDHFOHCMBSMEB-KKSFZXQISA-N 1 1 487.421 4.732 20 0 JJADMO C[C@@H](Cn1c(C2CC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)[N@@H+](C)Cc1ccccc1 ZINC001360555665 1065545907 /nfs/dbraw/zinc/54/59/07/1065545907.db2.gz WYTBSGJSQYGQPF-HNNXBMFYSA-N 1 1 475.481 4.997 20 0 JJADMO C[C@H](Cn1c(C2CC2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N(C)C(=O)OC(C)(C)C ZINC001360555978 1065546381 /nfs/dbraw/zinc/54/63/81/1065546381.db2.gz ZXRSRFQLOGPEDR-NFBKMPQASA-N 1 1 482.673 4.512 20 0 JJADMO C[C@H](Cn1c(C2CCCC2)nnc1N1CCC[N@H+](C2CCCC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001360559810 1065549850 /nfs/dbraw/zinc/54/98/50/1065549850.db2.gz NMBCIYRPLBFHCJ-HXUWFJFHSA-N 1 1 474.694 4.646 20 0 JJADMO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1)N(C)C(=O)OC(C)(C)C ZINC001360568694 1065560615 /nfs/dbraw/zinc/56/06/15/1065560615.db2.gz FLNGOLNALMIZRB-QFIPXVFZSA-N 1 1 498.716 4.834 20 0 JJADMO C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CC(F)(F)F)CC1)[N@@H+](C)C1CC1 ZINC001360569298 1065562058 /nfs/dbraw/zinc/56/20/58/1065562058.db2.gz JLKYDGFLLRZGOY-HNNXBMFYSA-N 1 1 471.518 4.799 20 0 JJADMO C[C@H](Cn1c(CC(C)(C)C)nnc1N(C)Cc1cc(Br)cs1)[N@@H+](C)C1CC1 ZINC001360569699 1065563308 /nfs/dbraw/zinc/56/33/08/1065563308.db2.gz JHECDIQOGRQCTF-CQSZACIVSA-N 1 1 454.482 4.810 20 0 JJADMO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2cccs2)CC1)N(C)c1ccccc1 ZINC001360570896 1065564476 /nfs/dbraw/zinc/56/44/76/1065564476.db2.gz XFHHEBNNAWNXRE-NRFANRHFSA-N 1 1 466.699 4.775 20 0 JJADMO C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC(C(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC001360574057 1065568151 /nfs/dbraw/zinc/56/81/51/1065568151.db2.gz YNVSEEQAXYAFOV-LJQANCHMSA-N 1 1 472.559 4.563 20 0 JJADMO C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360574211 1065568321 /nfs/dbraw/zinc/56/83/21/1065568321.db2.gz BJYQVKLLLVJOMU-RCZVLFRGSA-N 1 1 476.669 4.568 20 0 JJADMO C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C(F)(F)F)C1)[N@@H+](C)Cc1ccccc1 ZINC001360574930 1065570680 /nfs/dbraw/zinc/57/06/80/1065570680.db2.gz QFPPQPOHRUAQBD-DENIHFKCSA-N 1 1 472.559 4.563 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001437554723 1065573488 /nfs/dbraw/zinc/57/34/88/1065573488.db2.gz XMMUFWTVYGFMBB-TWJOJJKGSA-N 1 1 477.649 4.808 20 0 JJADMO C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H]1CCCOC1)[N@@H+](C)C1CC1 ZINC001360583620 1065581867 /nfs/dbraw/zinc/58/18/67/1065581867.db2.gz HBJLRUXETZPCKY-NHCUHLMSSA-N 1 1 469.674 4.500 20 0 JJADMO C[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001360583924 1065583044 /nfs/dbraw/zinc/58/30/44/1065583044.db2.gz NOZLTASRVNUIGF-IERDGZPVSA-N 1 1 496.483 4.898 20 0 JJADMO C[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001360583925 1065583208 /nfs/dbraw/zinc/58/32/08/1065583208.db2.gz NOZLTASRVNUIGF-IIBYNOLFSA-N 1 1 496.483 4.898 20 0 JJADMO COc1cc(OC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)ccc1Br ZINC001437601151 1065583381 /nfs/dbraw/zinc/58/33/81/1065583381.db2.gz LPKLSTGYYXASRI-IBGZPJMESA-N 1 1 458.274 4.818 20 0 JJADMO C[C@H](Cn1c(COc2ccc(Br)cc2)nnc1N1CCC(C)(C)CC1)[N@@H+](C)C1CC1 ZINC001360584298 1065583697 /nfs/dbraw/zinc/58/36/97/1065583697.db2.gz UYMXUEJJQVJYEK-QGZVFWFLSA-N 1 1 476.463 4.729 20 0 JJADMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001437651142 1065588311 /nfs/dbraw/zinc/58/83/11/1065588311.db2.gz FYTMRFXTVSCMMV-OAHLLOKOSA-N 1 1 452.780 4.892 20 0 JJADMO Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC001437728750 1065596620 /nfs/dbraw/zinc/59/66/20/1065596620.db2.gz PFOOFODLOLFQND-IBGZPJMESA-N 1 1 458.628 4.781 20 0 JJADMO Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC001437728750 1065596634 /nfs/dbraw/zinc/59/66/34/1065596634.db2.gz PFOOFODLOLFQND-IBGZPJMESA-N 1 1 458.628 4.781 20 0 JJADMO COc1cccc(C(=O)c2ccc(C(=O)N3CC[N@H+](Cc4ccccc4)[C@@H](C(C)C)C3)cc2)c1 ZINC001437731592 1065597162 /nfs/dbraw/zinc/59/71/62/1065597162.db2.gz VPOYFVBPALGHRN-HHHXNRCGSA-N 1 1 456.586 4.909 20 0 JJADMO COc1cccc(C(=O)c2ccc(C(=O)N3CC[N@@H+](Cc4ccccc4)[C@@H](C(C)C)C3)cc2)c1 ZINC001437731592 1065597175 /nfs/dbraw/zinc/59/71/75/1065597175.db2.gz VPOYFVBPALGHRN-HHHXNRCGSA-N 1 1 456.586 4.909 20 0 JJADMO C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001360591245 1065598283 /nfs/dbraw/zinc/59/82/83/1065598283.db2.gz ZNDBFFPUOCINLQ-SBHAEUEKSA-N 1 1 474.694 4.705 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001360607080 1065633582 /nfs/dbraw/zinc/63/35/82/1065633582.db2.gz HKRUPOQBBWENJT-LJQANCHMSA-N 1 1 491.080 4.680 20 0 JJADMO COC[C@@H](C)Oc1ccc(COC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001438081108 1065666314 /nfs/dbraw/zinc/66/63/14/1065666314.db2.gz YKIHHBYTBYJYKH-WZONZLPQSA-N 1 1 451.485 4.598 20 0 JJADMO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1 ZINC001360631230 1065680695 /nfs/dbraw/zinc/68/06/95/1065680695.db2.gz LXUDEJRXPOTVSB-HFZDXXHNSA-N 1 1 456.590 4.874 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(CC2CCCC2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360639003 1065706495 /nfs/dbraw/zinc/70/64/95/1065706495.db2.gz MCPMQDFFMLBBEM-JTHBVZDNSA-N 1 1 490.737 4.871 20 0 JJADMO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001438325336 1065709872 /nfs/dbraw/zinc/70/98/72/1065709872.db2.gz KVNNBLWRBNWGCU-MBSDFSHPSA-N 1 1 451.014 4.700 20 0 JJADMO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001438325333 1065709935 /nfs/dbraw/zinc/70/99/35/1065709935.db2.gz KVNNBLWRBNWGCU-JPYJTQIMSA-N 1 1 451.014 4.700 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)c2ccc(OCC(F)(F)F)o2)cc1 ZINC001438328980 1065710627 /nfs/dbraw/zinc/71/06/27/1065710627.db2.gz HKQHIYCPFPRSEV-LEWJYISDSA-N 1 1 474.479 4.627 20 0 JJADMO CCN(CC)Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)o1 ZINC001438338453 1065712187 /nfs/dbraw/zinc/71/21/87/1065712187.db2.gz QLTZYAMNIYSRNQ-IZZNHLLZSA-N 1 1 461.606 4.528 20 0 JJADMO CCN(CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)o1 ZINC001438338453 1065712197 /nfs/dbraw/zinc/71/21/97/1065712197.db2.gz QLTZYAMNIYSRNQ-IZZNHLLZSA-N 1 1 461.606 4.528 20 0 JJADMO Cc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c2cc(Br)ccc2n1 ZINC001438338423 1065712271 /nfs/dbraw/zinc/71/22/71/1065712271.db2.gz WTHWDVKFLWTPOD-QFBILLFUSA-N 1 1 452.396 4.804 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)C(F)(F)c2c(F)cccc2F)cc1 ZINC001438340447 1065712358 /nfs/dbraw/zinc/71/23/58/1065712358.db2.gz SOYVXPLUPYESCP-NZQKXSOJSA-N 1 1 472.482 4.850 20 0 JJADMO C[C@@H](Cn1c(C2CCC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360641778 1065714820 /nfs/dbraw/zinc/71/48/20/1065714820.db2.gz NDMWTCLFJAYUJT-AWRGLXIESA-N 1 1 496.700 4.806 20 0 JJADMO CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001438356823 1065715804 /nfs/dbraw/zinc/71/58/04/1065715804.db2.gz IZAUUGYFZWOKKV-DEOSSOPVSA-N 1 1 451.611 4.886 20 0 JJADMO C[NH+]1CCN(c2ccc(NC(=O)C(F)(F)c3cccc(Br)c3)cc2Cl)CC1 ZINC001360644215 1065718405 /nfs/dbraw/zinc/71/84/05/1065718405.db2.gz SBRCHTXEHPAFND-UHFFFAOYSA-N 1 1 458.734 4.585 20 0 JJADMO CN(C(=O)c1ccc(NC(=O)/C=C\c2ccsc2C(F)(F)F)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001360658704 1065727499 /nfs/dbraw/zinc/72/74/99/1065727499.db2.gz OAQRNNLEMHBARL-IEODJVTJSA-N 1 1 451.514 4.585 20 0 JJADMO CCc1cc2c(CC(=O)Nc3ccc(C(=O)N(C)[C@H]4CCC[N@@H+](C)C4)cc3)csc2s1 ZINC001360658269 1065727635 /nfs/dbraw/zinc/72/76/35/1065727635.db2.gz JRMAZWUFZACEAQ-IBGZPJMESA-N 1 1 455.649 4.873 20 0 JJADMO C[C@@H]1CCC[C@H](OCCCCCC(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@@H+](C)C3)cc2)C1 ZINC001360657829 1065727758 /nfs/dbraw/zinc/72/77/58/1065727758.db2.gz DFGKHKMJASCCMK-ZODMCCGTSA-N 1 1 457.659 4.947 20 0 JJADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)OCc3cc(F)c(Br)cc3F)cc2)C[C@@H](C)O1 ZINC001438518297 1065727801 /nfs/dbraw/zinc/72/78/01/1065727801.db2.gz JTGZUDIVTXGPHF-ZIAGYGMSSA-N 1 1 454.311 4.694 20 0 JJADMO Cc1cccc2cc(C(=O)Nc3ccc(C(=O)N(C)[C@@H]4CCC[N@@H+](C)C4)cc3)c(Cl)nc12 ZINC001360659048 1065728454 /nfs/dbraw/zinc/72/84/54/1065728454.db2.gz TZLIICVPVLMFKL-HXUWFJFHSA-N 1 1 450.970 4.615 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1CCc1cccc(F)c1 ZINC001545916914 1065734020 /nfs/dbraw/zinc/73/40/20/1065734020.db2.gz RQXNOLQLJKTONY-IBGZPJMESA-N 1 1 498.672 4.523 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1C[C@H](C)c1ccccc1 ZINC001545917173 1065735565 /nfs/dbraw/zinc/73/55/65/1065735565.db2.gz YWUZTVZCOATJHA-LEWJYISDSA-N 1 1 494.709 4.945 20 0 JJADMO Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360711431 1065743701 /nfs/dbraw/zinc/74/37/01/1065743701.db2.gz GENDDQOVMLOOAY-VGSWGCGISA-N 1 1 453.583 4.585 20 0 JJADMO Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360711431 1065743713 /nfs/dbraw/zinc/74/37/13/1065743713.db2.gz GENDDQOVMLOOAY-VGSWGCGISA-N 1 1 453.583 4.585 20 0 JJADMO C[C@H](NC(=O)c1cccc2cccc(Br)c21)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360711964 1065744320 /nfs/dbraw/zinc/74/43/20/1065744320.db2.gz RQRVUEVHGXTDAT-HTAPYJJXSA-N 1 1 453.380 4.622 20 0 JJADMO C[C@H](NC(=O)c1cccc2cccc(Br)c21)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360711964 1065744331 /nfs/dbraw/zinc/74/43/31/1065744331.db2.gz RQRVUEVHGXTDAT-HTAPYJJXSA-N 1 1 453.380 4.622 20 0 JJADMO C[C@@H](NC(=O)c1cc2ccc(Br)cc2s1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360711939 1065744399 /nfs/dbraw/zinc/74/43/99/1065744399.db2.gz RCHHJAUNXUFOGR-BEFAXECRSA-N 1 1 459.409 4.683 20 0 JJADMO C[C@@H](NC(=O)c1cc2ccc(Br)cc2s1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360711939 1065744410 /nfs/dbraw/zinc/74/44/10/1065744410.db2.gz RCHHJAUNXUFOGR-BEFAXECRSA-N 1 1 459.409 4.683 20 0 JJADMO C[C@@H](NC(=O)c1cccc2cccc(Br)c21)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360711966 1065744693 /nfs/dbraw/zinc/74/46/93/1065744693.db2.gz RQRVUEVHGXTDAT-VGOFRKELSA-N 1 1 453.380 4.622 20 0 JJADMO C[C@@H](NC(=O)c1cccc2cccc(Br)c21)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360711966 1065744705 /nfs/dbraw/zinc/74/47/05/1065744705.db2.gz RQRVUEVHGXTDAT-VGOFRKELSA-N 1 1 453.380 4.622 20 0 JJADMO CCc1ccccc1O[C@H](C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC001360712132 1065744748 /nfs/dbraw/zinc/74/47/48/1065744748.db2.gz VIBRVPQFZUPKJX-FAQZDJIUSA-N 1 1 458.602 4.775 20 0 JJADMO CCc1ccccc1O[C@H](C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC001360712132 1065744756 /nfs/dbraw/zinc/74/47/56/1065744756.db2.gz VIBRVPQFZUPKJX-FAQZDJIUSA-N 1 1 458.602 4.775 20 0 JJADMO Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CC[C@]2(C1)C[N@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC001438860485 1065759367 /nfs/dbraw/zinc/75/93/67/1065759367.db2.gz KNWSORAQQGFSTJ-MVOZIGHISA-N 1 1 450.623 4.778 20 0 JJADMO Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CC[C@]2(C1)C[N@@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC001438860485 1065759383 /nfs/dbraw/zinc/75/93/83/1065759383.db2.gz KNWSORAQQGFSTJ-MVOZIGHISA-N 1 1 450.623 4.778 20 0 JJADMO O=C(Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)c1cc(Cl)c(Br)cc1F ZINC001438881197 1065761593 /nfs/dbraw/zinc/76/15/93/1065761593.db2.gz GZWXTIKFGJPJJO-OAHLLOKOSA-N 1 1 452.755 4.778 20 0 JJADMO CCc1c(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nnn1-c1cccc(Cl)c1 ZINC001360735900 1065764066 /nfs/dbraw/zinc/76/40/66/1065764066.db2.gz ZJEQEXNOQJZVOU-WIYYLYMNSA-N 1 1 452.002 4.608 20 0 JJADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CC2CC(F)(F)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001360738552 1065769090 /nfs/dbraw/zinc/76/90/90/1065769090.db2.gz NQCGLZPRDKLMPP-DLBZAZTESA-N 1 1 451.537 4.523 20 0 JJADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CCc2nccs2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360739165 1065770346 /nfs/dbraw/zinc/77/03/46/1065770346.db2.gz QUWAKTBWNHBOHP-LJQANCHMSA-N 1 1 486.661 4.815 20 0 JJADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2cscn2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001360739734 1065771329 /nfs/dbraw/zinc/77/13/29/1065771329.db2.gz VWVAGBQMOXVETE-UWJYYQICSA-N 1 1 472.634 4.771 20 0 JJADMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)[C@@H]1c1cccs1 ZINC001360740318 1065773498 /nfs/dbraw/zinc/77/34/98/1065773498.db2.gz ADWGJUBEWTZUPF-CRAIPNDOSA-N 1 1 455.502 4.672 20 0 JJADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001360749426 1065792201 /nfs/dbraw/zinc/79/22/01/1065792201.db2.gz DPDACBIRBINWIN-CZYKHXBRSA-N 1 1 473.637 4.825 20 0 JJADMO COc1ccccc1-c1nc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)cs1 ZINC001439268333 1065806619 /nfs/dbraw/zinc/80/66/19/1065806619.db2.gz BFUBBGAEBRWVGD-QZTJIDSGSA-N 1 1 461.509 4.611 20 0 JJADMO COc1ccccc1-c1nc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)cs1 ZINC001439268333 1065806639 /nfs/dbraw/zinc/80/66/39/1065806639.db2.gz BFUBBGAEBRWVGD-QZTJIDSGSA-N 1 1 461.509 4.611 20 0 JJADMO O=C(CCc1ccccc1Br)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001439269030 1065806853 /nfs/dbraw/zinc/80/68/53/1065806853.db2.gz GFKBOEFHXHPTOT-IEBWSBKVSA-N 1 1 455.318 4.561 20 0 JJADMO O=C(CCc1ccccc1Br)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001439269030 1065806867 /nfs/dbraw/zinc/80/68/67/1065806867.db2.gz GFKBOEFHXHPTOT-IEBWSBKVSA-N 1 1 455.318 4.561 20 0 JJADMO C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001439268806 1065806891 /nfs/dbraw/zinc/80/68/91/1065806891.db2.gz DQMJTACPIJUQFG-BMGDILEWSA-N 1 1 460.418 4.652 20 0 JJADMO C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001439268806 1065806906 /nfs/dbraw/zinc/80/69/06/1065806906.db2.gz DQMJTACPIJUQFG-BMGDILEWSA-N 1 1 460.418 4.652 20 0 JJADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@H](C(F)F)C2)n1CC[N@@H+]1CC=CCC1 ZINC001360759196 1065828484 /nfs/dbraw/zinc/82/84/84/1065828484.db2.gz YWKBTFXQULIRLL-ZWKOTPCHSA-N 1 1 465.976 4.815 20 0 JJADMO CC(C)N1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001360760582 1065832654 /nfs/dbraw/zinc/83/26/54/1065832654.db2.gz PDQORXOLRIFRIK-NRFANRHFSA-N 1 1 477.097 4.721 20 0 JJADMO CC(C)[NH+](CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2CCCC[C@@H]2C1)C(C)C ZINC001360761175 1065836998 /nfs/dbraw/zinc/83/69/98/1065836998.db2.gz ZVRFWBWOIQEVAU-JTHBVZDNSA-N 1 1 489.108 4.865 20 0 JJADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2cccc(-c3cccc(Br)c3)c2)cn1 ZINC001439601968 1065846734 /nfs/dbraw/zinc/84/67/34/1065846734.db2.gz WHVBABQOCUBHMY-FCHUYYIVSA-N 1 1 453.384 4.524 20 0 JJADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCCC(C)(C)C ZINC001360769030 1065859705 /nfs/dbraw/zinc/85/97/05/1065859705.db2.gz CJRWOMCWERANPC-IBVKSMDESA-N 1 1 473.637 4.685 20 0 JJADMO CC(C)[N@@H+](C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(n2cc(Cl)cn2)CC1 ZINC001360770063 1065864854 /nfs/dbraw/zinc/86/48/54/1065864854.db2.gz SFMJACONZGYIDF-SFHVURJKSA-N 1 1 490.027 4.589 20 0 JJADMO C[C@@H]1[C@@H](C(=O)N[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001439758854 1065871754 /nfs/dbraw/zinc/87/17/54/1065871754.db2.gz VRVXSBSPHOPYTP-WCHJTNLRSA-N 1 1 477.649 4.806 20 0 JJADMO O=C(NCc1ccc(Br)cc1F)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001439944097 1065895316 /nfs/dbraw/zinc/89/53/16/1065895316.db2.gz VCQLHRQUGAVCNM-IBGZPJMESA-N 1 1 459.281 4.659 20 0 JJADMO CCOc1cc(C(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc(OCC)c1OCC ZINC001440045471 1065906537 /nfs/dbraw/zinc/90/65/37/1065906537.db2.gz LDZPMIVKXHJFCJ-NHTMILBNSA-N 1 1 466.622 4.913 20 0 JJADMO CC1(C)CCC[N@@H+](CCn2c(CCc3ccccc3)nnc2N2CCC(C(F)(F)F)CC2)C1 ZINC001360808137 1065920955 /nfs/dbraw/zinc/92/09/55/1065920955.db2.gz HSUPYQNZBQWBRC-UHFFFAOYSA-N 1 1 463.592 4.964 20 0 JJADMO CC1(C)CCC[N@@H+](CCn2c(COc3ccc(Cl)cc3)nnc2N2CCSC(C)(C)C2)C1 ZINC001360808784 1065922046 /nfs/dbraw/zinc/92/20/46/1065922046.db2.gz UODQHAQRKZIAGD-UHFFFAOYSA-N 1 1 478.106 4.964 20 0 JJADMO CC1(C)CCC[N@@H+](CCn2c(-c3ccc(Cl)cc3)nnc2N2CCCN(CC(F)(F)F)CC2)C1 ZINC001360809062 1065923260 /nfs/dbraw/zinc/92/32/60/1065923260.db2.gz ZWUUTNRYIJPBQQ-UHFFFAOYSA-N 1 1 499.025 4.795 20 0 JJADMO O=C(Nc1nn(CC(F)F)c2ccccc21)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001440205772 1065923548 /nfs/dbraw/zinc/92/35/48/1065923548.db2.gz COGVBGZTIKMLML-NRFANRHFSA-N 1 1 452.427 4.695 20 0 JJADMO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)n[nH]1)c1ccccc1Cl ZINC001440386594 1065936084 /nfs/dbraw/zinc/93/60/84/1065936084.db2.gz ZSVAIUYJKCFSOZ-IBGZPJMESA-N 1 1 452.864 4.661 20 0 JJADMO COc1ccccc1[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CC(C)C)N1CCCC1 ZINC001440386765 1065936322 /nfs/dbraw/zinc/93/63/22/1065936322.db2.gz JIIQFBAHSALKNM-ZRJLEYOISA-N 1 1 463.666 4.743 20 0 JJADMO COc1ccccc1[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CC(C)C)N1CCCC1 ZINC001440386765 1065936331 /nfs/dbraw/zinc/93/63/31/1065936331.db2.gz JIIQFBAHSALKNM-ZRJLEYOISA-N 1 1 463.666 4.743 20 0 JJADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@@]2(C)CCCO2)CC1 ZINC001360834175 1065945708 /nfs/dbraw/zinc/94/57/08/1065945708.db2.gz BEBWUOATWDEVOL-OAQYLSRUSA-N 1 1 482.492 4.649 20 0 JJADMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001440635091 1065956137 /nfs/dbraw/zinc/95/61/37/1065956137.db2.gz IAIKTTRTPRBWOE-TVTNDZMWSA-N 1 1 452.014 4.548 20 0 JJADMO Cc1ccccc1-c1nnc(N2CCC(C)=C(Br)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001360851543 1065965031 /nfs/dbraw/zinc/96/50/31/1065965031.db2.gz MPQXKHKOTWZIAB-FQEVSTJZSA-N 1 1 488.474 4.633 20 0 JJADMO Cc1ccccc1-c1nnc(N2CCC(C)=C(Br)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001360851545 1065965078 /nfs/dbraw/zinc/96/50/78/1065965078.db2.gz MPQXKHKOTWZIAB-HXUWFJFHSA-N 1 1 488.474 4.633 20 0 JJADMO O=C(NN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1 ZINC001440683322 1065965897 /nfs/dbraw/zinc/96/58/97/1065965897.db2.gz YKSNIEXZFFYIAU-UHFFFAOYSA-N 1 1 450.380 4.501 20 0 JJADMO Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001440709992 1065968962 /nfs/dbraw/zinc/96/89/62/1065968962.db2.gz ZZKLCKIHRHFLJD-FQEVSTJZSA-N 1 1 457.405 4.729 20 0 JJADMO CC(C)(C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1)[C@@H]1CCC[C@H](C(F)(F)F)N1 ZINC001440722783 1065971398 /nfs/dbraw/zinc/97/13/98/1065971398.db2.gz OGUVQCVDCKBOTD-RBUKOAKNSA-N 1 1 479.509 4.839 20 0 JJADMO CC1=C(Br)CN(c2nnc([C@@H]3CCCCO3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001360854460 1065973453 /nfs/dbraw/zinc/97/34/53/1065973453.db2.gz ZSYYBYOATUHRSV-QUCCMNQESA-N 1 1 466.468 4.663 20 0 JJADMO Cc1occc1C(=O)NC1CCN(c2nnc(CC(C)C)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001360858254 1065977359 /nfs/dbraw/zinc/97/73/59/1065977359.db2.gz DTFMFBICPIRVCD-OYRHEFFESA-N 1 1 498.716 4.533 20 0 JJADMO CCC(CC)[C@H](CNC(=O)[C@@H](C)Sc1ccnc2cc(Cl)ccc21)[NH+]1CCOCC1 ZINC001440796233 1065979748 /nfs/dbraw/zinc/97/97/48/1065979748.db2.gz INHWNXUVJJVLOA-IERDGZPVSA-N 1 1 450.048 4.622 20 0 JJADMO Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)c1C ZINC001360862953 1065981860 /nfs/dbraw/zinc/98/18/60/1065981860.db2.gz ZCGQLIPMWYTZLT-FQEVSTJZSA-N 1 1 489.668 4.542 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)c1C ZINC001360865382 1065984140 /nfs/dbraw/zinc/98/41/40/1065984140.db2.gz ANEVLCGKQRKMGL-GGAORHGYSA-N 1 1 498.716 4.506 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H](C)CC(N)=O)n2C[C@@H]2CCC[N@H+]2C2CCCCC2)c1C ZINC001360865605 1065985182 /nfs/dbraw/zinc/98/51/82/1065985182.db2.gz FKVWSTZFRLYBFK-BKULYWANSA-N 1 1 496.700 4.532 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H](C)CC(N)=O)n2C[C@H]2CCC[N@H+]2C2CCCCC2)c1C ZINC001360865604 1065985336 /nfs/dbraw/zinc/98/53/36/1065985336.db2.gz FKVWSTZFRLYBFK-BGWNEDDSSA-N 1 1 496.700 4.532 20 0 JJADMO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC001440870818 1065986435 /nfs/dbraw/zinc/98/64/35/1065986435.db2.gz KYYQBVVMLXVZTH-INIZCTEOSA-N 1 1 451.792 4.604 20 0 JJADMO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC001440870818 1065986449 /nfs/dbraw/zinc/98/64/49/1065986449.db2.gz KYYQBVVMLXVZTH-INIZCTEOSA-N 1 1 451.792 4.604 20 0 JJADMO CCCOc1nc2ccccc2cc1/C=C\C(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC001440870179 1065986499 /nfs/dbraw/zinc/98/64/99/1065986499.db2.gz FVHPCYOGWCKURH-KAMYIIQDSA-N 1 1 459.590 4.780 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2C[C@@H]2CCC[N@H+]2CCCO)c1C ZINC001360865892 1065986625 /nfs/dbraw/zinc/98/66/25/1065986625.db2.gz JYWDIPGQBVTRLT-HVHOJJEHSA-N 1 1 483.701 4.897 20 0 JJADMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cn(-c4ccc(Cl)c(Cl)c4)cn3)CC2)cc1 ZINC001440872230 1065986847 /nfs/dbraw/zinc/98/68/47/1065986847.db2.gz VQMOHBNWNBBYIN-UHFFFAOYSA-N 1 1 459.377 4.536 20 0 JJADMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cn(-c4ccc(Cl)c(Cl)c4)cn3)CC2)cc1 ZINC001440872230 1065986858 /nfs/dbraw/zinc/98/68/58/1065986858.db2.gz VQMOHBNWNBBYIN-UHFFFAOYSA-N 1 1 459.377 4.536 20 0 JJADMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(Sc3ccc(C)c(C)c3)cc2)CC1=O ZINC001440911682 1065993450 /nfs/dbraw/zinc/99/34/50/1065993450.db2.gz DAVFBJMFNDWWJB-IRLDBZIGSA-N 1 1 451.636 4.726 20 0 JJADMO Cc1c(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cnn1CCO[C@H]1CCCCO1 ZINC001440935369 1065995239 /nfs/dbraw/zinc/99/52/39/1065995239.db2.gz DXZGDMULXLVYAM-VWLOTQADSA-N 1 1 454.615 4.752 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC[N@@H+](C)C2CCCC2)c1C ZINC001360870289 1066002124 /nfs/dbraw/zinc/00/21/24/1066002124.db2.gz ODDBRMWNXJKUNQ-UNMCSNQZSA-N 1 1 469.674 4.913 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@@H](C)C3CCCCC3)n2C[C@@]2(O)CC[N@@H+](C)C2)c1C ZINC001360871658 1066005909 /nfs/dbraw/zinc/00/59/09/1066005909.db2.gz ZAACFVGHQRIJJO-BCQCSXDESA-N 1 1 469.674 4.507 20 0 JJADMO COc1ccc(C(NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)c2ccc(OC)cc2)cc1 ZINC001441186039 1066013092 /nfs/dbraw/zinc/01/30/92/1066013092.db2.gz BXSVBJBHTHEGLI-RUZDIDTESA-N 1 1 458.602 4.864 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCC[NH+]2CCOCC2)c1C ZINC001360875028 1066016027 /nfs/dbraw/zinc/01/60/27/1066016027.db2.gz WPJVCJAEEJWOCF-GMAHTHKFSA-N 1 1 469.674 4.630 20 0 JJADMO CN1CC[N@@H+](CCCNC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC001441238067 1066017834 /nfs/dbraw/zinc/01/78/34/1066017834.db2.gz FPIAACWSCMEIHB-FQLXRVMXSA-N 1 1 455.646 4.898 20 0 JJADMO C[N@@H+]1CCN(CCCNC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC001441238067 1066017853 /nfs/dbraw/zinc/01/78/53/1066017853.db2.gz FPIAACWSCMEIHB-FQLXRVMXSA-N 1 1 455.646 4.898 20 0 JJADMO C[N@H+]1CCN(CCCNC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC001441238067 1066017866 /nfs/dbraw/zinc/01/78/66/1066017866.db2.gz FPIAACWSCMEIHB-FQLXRVMXSA-N 1 1 455.646 4.898 20 0 JJADMO CN1CC[N@@H+](CCCNC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)[C@H](c2ccccc2)C1 ZINC001441238081 1066018095 /nfs/dbraw/zinc/01/80/95/1066018095.db2.gz FPIAACWSCMEIHB-WDYNHAJCSA-N 1 1 455.646 4.898 20 0 JJADMO C[N@@H+]1CCN(CCCNC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)[C@H](c2ccccc2)C1 ZINC001441238081 1066018099 /nfs/dbraw/zinc/01/80/99/1066018099.db2.gz FPIAACWSCMEIHB-WDYNHAJCSA-N 1 1 455.646 4.898 20 0 JJADMO C[N@H+]1CCN(CCCNC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)[C@H](c2ccccc2)C1 ZINC001441238081 1066018105 /nfs/dbraw/zinc/01/81/05/1066018105.db2.gz FPIAACWSCMEIHB-WDYNHAJCSA-N 1 1 455.646 4.898 20 0 JJADMO CN1CC[N@@H+](CCCNC(=O)c2cc3ccccc3cc2OC(F)F)[C@@H](c2ccccc2)C1 ZINC001441240256 1066018684 /nfs/dbraw/zinc/01/86/84/1066018684.db2.gz IJTCVEVPVOOEQW-HSZRJFAPSA-N 1 1 453.533 4.550 20 0 JJADMO C[N@@H+]1CCN(CCCNC(=O)c2cc3ccccc3cc2OC(F)F)[C@@H](c2ccccc2)C1 ZINC001441240256 1066018693 /nfs/dbraw/zinc/01/86/93/1066018693.db2.gz IJTCVEVPVOOEQW-HSZRJFAPSA-N 1 1 453.533 4.550 20 0 JJADMO C[N@H+]1CCN(CCCNC(=O)c2cc3ccccc3cc2OC(F)F)[C@@H](c2ccccc2)C1 ZINC001441240256 1066018696 /nfs/dbraw/zinc/01/86/96/1066018696.db2.gz IJTCVEVPVOOEQW-HSZRJFAPSA-N 1 1 453.533 4.550 20 0 JJADMO CCN(CC)C(=O)COc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1Cl ZINC001441292995 1066023168 /nfs/dbraw/zinc/02/31/68/1066023168.db2.gz GITCWQIUKGRGKJ-JOCHJYFZSA-N 1 1 458.002 4.580 20 0 JJADMO CCN(CC)C(=O)COc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1Cl ZINC001441292995 1066023174 /nfs/dbraw/zinc/02/31/74/1066023174.db2.gz GITCWQIUKGRGKJ-JOCHJYFZSA-N 1 1 458.002 4.580 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CC[N@H+](C4CCC4)C[C@H](C)C3)n2CC(F)(F)F)c1C ZINC001360877675 1066023999 /nfs/dbraw/zinc/02/39/99/1066023999.db2.gz NNSLTELOCNOOIJ-LPHOPBHVSA-N 1 1 465.564 4.908 20 0 JJADMO CO[C@H](C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccccc1Br ZINC001441323610 1066028489 /nfs/dbraw/zinc/02/84/89/1066028489.db2.gz DFBAMWFNEFJXBE-PMACEKPBSA-N 1 1 451.792 4.743 20 0 JJADMO Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001441336194 1066029927 /nfs/dbraw/zinc/02/99/27/1066029927.db2.gz AQDQMTDHVPSDNH-BEFAXECRSA-N 1 1 455.908 4.940 20 0 JJADMO Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001441336196 1066030048 /nfs/dbraw/zinc/03/00/48/1066030048.db2.gz AQDQMTDHVPSDNH-DNVCBOLYSA-N 1 1 455.908 4.940 20 0 JJADMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc32)C1 ZINC001441352389 1066032073 /nfs/dbraw/zinc/03/20/73/1066032073.db2.gz MJTZIFBTQDNWBU-MRXNPFEDSA-N 1 1 453.384 4.521 20 0 JJADMO C[C@H](CNC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC001441351832 1066032138 /nfs/dbraw/zinc/03/21/38/1066032138.db2.gz PLXWVCXXAAGPQL-XZOQPEGZSA-N 1 1 450.623 4.550 20 0 JJADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC12CCCC2 ZINC001441357311 1066033277 /nfs/dbraw/zinc/03/32/77/1066033277.db2.gz PZSGCGJWJSZTBC-NZQKXSOJSA-N 1 1 455.643 4.857 20 0 JJADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1(N(C(=O)OC(C)(C)C)C2CC2)CCC1 ZINC001441359035 1066034157 /nfs/dbraw/zinc/03/41/57/1066034157.db2.gz UJJGJMRKWNVXHZ-FQEVSTJZSA-N 1 1 455.643 4.999 20 0 JJADMO CC1=C(C)CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC001360883264 1066037026 /nfs/dbraw/zinc/03/70/26/1066037026.db2.gz NJAVVGWDFJPHEE-MUUNZHRXSA-N 1 1 481.685 4.754 20 0 JJADMO CC1=C(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001360893111 1066045756 /nfs/dbraw/zinc/04/57/56/1066045756.db2.gz ZDVXEZJOWSMKHC-RUZDIDTESA-N 1 1 495.712 4.938 20 0 JJADMO CC1=C(C)CN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001360893099 1066045798 /nfs/dbraw/zinc/04/57/98/1066045798.db2.gz YOXWWGYJSGTRCQ-JOCHJYFZSA-N 1 1 455.622 4.911 20 0 JJADMO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC001441556700 1066050702 /nfs/dbraw/zinc/05/07/02/1066050702.db2.gz DHRLBROVEGXKSM-IZZNHLLZSA-N 1 1 477.649 4.726 20 0 JJADMO CC1CCN(c2ccc(CNC(=O)c3ccccc3OCC[N@H+]3CCCC[C@@H]3C)cn2)CC1 ZINC001441616929 1066054754 /nfs/dbraw/zinc/05/47/54/1066054754.db2.gz ADBQOGQLJMEPKX-QFIPXVFZSA-N 1 1 450.627 4.501 20 0 JJADMO Cc1ccccc1Oc1ccc(C(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC001441691283 1066061706 /nfs/dbraw/zinc/06/17/06/1066061706.db2.gz LAGRVPBHFGLHIN-UHFFFAOYSA-N 1 1 458.606 4.510 20 0 JJADMO Cc1nc(-c2ccc(C(=O)NCCCCN3CC[NH+](Cc4ccccc4)CC3)s2)cs1 ZINC001441694427 1066061932 /nfs/dbraw/zinc/06/19/32/1066061932.db2.gz SVECRYMJKZLZQW-UHFFFAOYSA-N 1 1 454.665 4.508 20 0 JJADMO COc1cc([C@@H](C)NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)ccc1OCc1ccncc1 ZINC001441694462 1066061999 /nfs/dbraw/zinc/06/19/99/1066061999.db2.gz ZFRWDZJESMMYPZ-OSPHWJPCSA-N 1 1 453.970 4.803 20 0 JJADMO Cc1nc(N2CCN(c3nnc(CC(C)(C)C)n3CCCC[N@@H+]3CCCC[C@H]3C)CC2)sc1C ZINC001360908010 1066063243 /nfs/dbraw/zinc/06/32/43/1066063243.db2.gz XPDFTSMHLNFRRD-HXUWFJFHSA-N 1 1 487.762 4.921 20 0 JJADMO Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCS[C@@H](C)C2)n1CC[N@H+](C)C(C)C ZINC001360911117 1066067829 /nfs/dbraw/zinc/06/78/29/1066067829.db2.gz XHSRTBIFSDDHCT-KRWDZBQOSA-N 1 1 456.685 4.659 20 0 JJADMO CCCOc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)c(OCc2ccccc2)c1 ZINC001441875619 1066076333 /nfs/dbraw/zinc/07/63/33/1066076333.db2.gz MSOXQIVDEMHXRR-UHFFFAOYSA-N 1 1 456.546 4.874 20 0 JJADMO CCS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)cc1C ZINC001441887825 1066078867 /nfs/dbraw/zinc/07/88/67/1066078867.db2.gz SFGUGLBCCAXCQP-BJKOFHAPSA-N 1 1 469.651 4.634 20 0 JJADMO Cc1ncsc1CCn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001360923430 1066079025 /nfs/dbraw/zinc/07/90/25/1066079025.db2.gz STAAQSIOXORNFB-OAQYLSRUSA-N 1 1 452.672 4.585 20 0 JJADMO Cc1ncsc1CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCn1cc[nH+]c1C ZINC001360929786 1066085555 /nfs/dbraw/zinc/08/55/55/1066085555.db2.gz MGCIFEBVOAUOOQ-MRXNPFEDSA-N 1 1 472.018 4.678 20 0 JJADMO Cc1c(CN(C)c2nnc(-c3cccc(Cl)c3)n2CCCC[N@@H+]2CCC[C@H](C)C2)cnn1C ZINC001360932722 1066090228 /nfs/dbraw/zinc/09/02/28/1066090228.db2.gz QWDUMKQXKLZMHW-IBGZPJMESA-N 1 1 470.065 4.789 20 0 JJADMO CCN(C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001442078454 1066090687 /nfs/dbraw/zinc/09/06/87/1066090687.db2.gz SLMINMKPTMVHFO-XXBNENTESA-N 1 1 452.599 4.655 20 0 JJADMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)CC[N@H+]1C ZINC001360933739 1066091528 /nfs/dbraw/zinc/09/15/28/1066091528.db2.gz LAAPWZJNYHRADA-WBVHZDCISA-N 1 1 453.384 4.614 20 0 JJADMO Cc1ncsc1CN(C)c1nnc(-c2ccc(Br)s2)n1CCC[N@H+](C)C(C)C ZINC001360934835 1066093672 /nfs/dbraw/zinc/09/36/72/1066093672.db2.gz NOABZXFJNGPNKL-UHFFFAOYSA-N 1 1 483.505 4.901 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC001442109306 1066094196 /nfs/dbraw/zinc/09/41/96/1066094196.db2.gz SLZMVNMSFDCOOF-GMKZXUHWSA-N 1 1 471.439 4.897 20 0 JJADMO C[C@H](C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cccc(C(=O)c2ccccc2)c1 ZINC001442111741 1066095209 /nfs/dbraw/zinc/09/52/09/1066095209.db2.gz KWIJIHJQHAQTPA-VXKWHMMOSA-N 1 1 456.586 4.558 20 0 JJADMO C[C@H](C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cccc(C(=O)c2ccccc2)c1 ZINC001442111741 1066095219 /nfs/dbraw/zinc/09/52/19/1066095219.db2.gz KWIJIHJQHAQTPA-VXKWHMMOSA-N 1 1 456.586 4.558 20 0 JJADMO Cc1occc1CN(C)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001360944919 1066099744 /nfs/dbraw/zinc/09/97/44/1066099744.db2.gz NZSHFINQQSSHED-HDICACEKSA-N 1 1 487.595 4.573 20 0 JJADMO Cc1occc1CN(C)c1nnc(CCOc2ccccc2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001360947346 1066102419 /nfs/dbraw/zinc/10/24/19/1066102419.db2.gz IQQMWXFLPWJCGZ-HSZRJFAPSA-N 1 1 451.615 4.558 20 0 JJADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)C1 ZINC001442216956 1066103194 /nfs/dbraw/zinc/10/31/94/1066103194.db2.gz CGCIPAAQYHMNTJ-OAHLLOKOSA-N 1 1 456.940 4.844 20 0 JJADMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)C1 ZINC001442216952 1066103229 /nfs/dbraw/zinc/10/32/29/1066103229.db2.gz CGCIPAAQYHMNTJ-HNNXBMFYSA-N 1 1 456.940 4.844 20 0 JJADMO CCNc1ncc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)c(Cl)c2)s1 ZINC001442235686 1066105791 /nfs/dbraw/zinc/10/57/91/1066105791.db2.gz QSWNLAWGSCFECS-UHFFFAOYSA-N 1 1 456.015 4.803 20 0 JJADMO Cc1ncsc1CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCn1cc[nH+]c1C ZINC001360949700 1066106318 /nfs/dbraw/zinc/10/63/18/1066106318.db2.gz PQDTXGDGIMOIDC-TZIWHRDSSA-N 1 1 471.675 4.583 20 0 JJADMO Cc1occc1CN(C)c1nnc(COc2ccccc2F)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001360949863 1066107584 /nfs/dbraw/zinc/10/75/84/1066107584.db2.gz WMPUCPFRXMSFBC-JOCHJYFZSA-N 1 1 455.578 4.654 20 0 JJADMO Cc1c(Cn2c(C(C)C)nnc2N2CC[NH+]([C@H](C)c3ccsc3)CC2)cnn1CC(C)C ZINC001360953100 1066109796 /nfs/dbraw/zinc/10/97/96/1066109796.db2.gz PVPCHQXUZIHUEK-LJQANCHMSA-N 1 1 455.676 4.555 20 0 JJADMO Cc1ccsc1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001360956809 1066113513 /nfs/dbraw/zinc/11/35/13/1066113513.db2.gz QWGSKRIKFCFSDF-FQEVSTJZSA-N 1 1 487.645 4.522 20 0 JJADMO CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1 ZINC001442330373 1066117065 /nfs/dbraw/zinc/11/70/65/1066117065.db2.gz CACADUCNLWOUHE-UHFFFAOYSA-N 1 1 456.030 4.569 20 0 JJADMO C[C@@H](c1ccc2ccccc2c1)N(C(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC001442353216 1066119146 /nfs/dbraw/zinc/11/91/46/1066119146.db2.gz NWWQMFHZYVENET-IBGZPJMESA-N 1 1 451.611 4.881 20 0 JJADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN(C(=O)c1ccccc1)c1ccccc1 ZINC001360961142 1066120658 /nfs/dbraw/zinc/12/06/58/1066120658.db2.gz BHMBPDWWARXURH-VWLOTQADSA-N 1 1 455.602 4.704 20 0 JJADMO COCC[N@H+]1CCCN(C(=O)c2cc(C(F)(F)F)ccc2Sc2cccc(F)c2)CC1 ZINC001442381874 1066121976 /nfs/dbraw/zinc/12/19/76/1066121976.db2.gz SRQPNGQROBKSGS-UHFFFAOYSA-N 1 1 456.505 4.790 20 0 JJADMO CCC[C@H](NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)c1ccc(Cl)c(Cl)c1 ZINC001442391446 1066122952 /nfs/dbraw/zinc/12/29/52/1066122952.db2.gz AXJSJDSGWKTUKY-IBGZPJMESA-N 1 1 458.430 4.940 20 0 JJADMO C[C@@H](NC(=O)c1cccn1-c1c(Cl)cccc1Cl)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360964402 1066123251 /nfs/dbraw/zinc/12/32/51/1066123251.db2.gz PVYHONZGKIUACI-VGOFRKELSA-N 1 1 458.389 4.803 20 0 JJADMO C[C@@H](NC(=O)c1cccn1-c1c(Cl)cccc1Cl)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360964402 1066123255 /nfs/dbraw/zinc/12/32/55/1066123255.db2.gz PVYHONZGKIUACI-VGOFRKELSA-N 1 1 458.389 4.803 20 0 JJADMO Cc1c(Cn2c(N(C)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)cnn1CC(C)C ZINC001360977229 1066134729 /nfs/dbraw/zinc/13/47/29/1066134729.db2.gz IZSVNCSDKRIMTB-VWLOTQADSA-N 1 1 477.701 4.886 20 0 JJADMO Cc1ccoc1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001360977336 1066134740 /nfs/dbraw/zinc/13/47/40/1066134740.db2.gz MNRPVIRGSMLLTB-UHFFFAOYSA-N 1 1 490.073 4.721 20 0 JJADMO Cc1c(Cl)cccc1Cn1c(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nnc1C(C)(C)C ZINC001360982345 1066142132 /nfs/dbraw/zinc/14/21/32/1066142132.db2.gz JFCTWVCNEXFHEQ-KDURUIRLSA-N 1 1 474.093 4.911 20 0 JJADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cccn2C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001442657998 1066148095 /nfs/dbraw/zinc/14/80/95/1066148095.db2.gz GVUOPMJRZHJGLL-VWPQPMDRSA-N 1 1 458.647 4.538 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@@H]1CCOC1 ZINC001360986417 1066152143 /nfs/dbraw/zinc/15/21/43/1066152143.db2.gz CNNJSGINCZZMNY-WIYYLYMNSA-N 1 1 473.021 4.509 20 0 JJADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC2CCCC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001360986585 1066153204 /nfs/dbraw/zinc/15/32/04/1066153204.db2.gz HHJMFVWSRPDQTD-QHCPKHFHSA-N 1 1 480.701 4.967 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001360990202 1066166604 /nfs/dbraw/zinc/16/66/04/1066166604.db2.gz QYDPZJVUQPTWRX-XSDIEEQYSA-N 1 1 476.065 4.786 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@H](C)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001360990427 1066167570 /nfs/dbraw/zinc/16/75/70/1066167570.db2.gz VMEMUUZQHLJGDP-AAIMPIBUSA-N 1 1 490.092 4.891 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCCCCCO ZINC001360991642 1066170246 /nfs/dbraw/zinc/17/02/46/1066170246.db2.gz DQCMFKMDFMBOLS-FYYLOGMGSA-N 1 1 490.092 4.916 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCCCCCO ZINC001360991645 1066170251 /nfs/dbraw/zinc/17/02/51/1066170251.db2.gz DQCMFKMDFMBOLS-JTHBVZDNSA-N 1 1 490.092 4.916 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCSC[C@@H]2C)n1CC[N@H+](C)C(C)C ZINC001360992904 1066172643 /nfs/dbraw/zinc/17/26/43/1066172643.db2.gz VYNNYVAOGVQITH-RBUKOAKNSA-N 1 1 466.095 4.970 20 0 JJADMO CCOC(=O)Cc1cccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)c1 ZINC001361005668 1066184188 /nfs/dbraw/zinc/18/41/88/1066184188.db2.gz ZFACIGXDVJXGQI-GGXMVOPNSA-N 1 1 456.586 4.821 20 0 JJADMO Cc1cc(C(F)(F)F)ccc1Cn1c(CC(C)(C)C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001361008389 1066189378 /nfs/dbraw/zinc/18/93/78/1066189378.db2.gz LNHNWVJIYUBCMJ-UHFFFAOYSA-N 1 1 481.607 4.789 20 0 JJADMO Cc1cc(C(F)(F)F)ccc1Cn1c(CC(C)(C)C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001361008389 1066189381 /nfs/dbraw/zinc/18/93/81/1066189381.db2.gz LNHNWVJIYUBCMJ-UHFFFAOYSA-N 1 1 481.607 4.789 20 0 JJADMO Cc1cc(C(F)(F)F)ccc1Cn1c(CC(C)C)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001361008612 1066189825 /nfs/dbraw/zinc/18/98/25/1066189825.db2.gz PODBBRFXQUMALE-UHFFFAOYSA-N 1 1 481.607 4.647 20 0 JJADMO CCc1csc(-n2cc(C(=O)N(CC[N@@H+](C)Cc3ccccc3)Cc3ccccc3)cn2)n1 ZINC001361013734 1066198860 /nfs/dbraw/zinc/19/88/60/1066198860.db2.gz UDQQQZNCXVITNY-UHFFFAOYSA-N 1 1 459.619 4.666 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(C2CCC2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC001361013954 1066198973 /nfs/dbraw/zinc/19/89/73/1066198973.db2.gz ASRHIXOSAZIIPM-UHFFFAOYSA-N 1 1 463.630 4.531 20 0 JJADMO Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c(C)c1 ZINC001361014435 1066200779 /nfs/dbraw/zinc/20/07/79/1066200779.db2.gz NRSUTWYJWXMDJI-DNQXCXABSA-N 1 1 496.700 4.640 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC001361020176 1066210048 /nfs/dbraw/zinc/21/00/48/1066210048.db2.gz QJVNRGXQBQUZAB-CQOQZXRMSA-N 1 1 468.041 4.746 20 0 JJADMO Cc1occc1CN(C)c1nnc(COc2cc(C)cc(C)c2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001361020732 1066211202 /nfs/dbraw/zinc/21/12/02/1066211202.db2.gz FQTCPAMWXPPBCQ-LJQANCHMSA-N 1 1 451.615 4.744 20 0 JJADMO Cc1cc(N2CCC(NC(=O)CCSc3ccnc4cc(Cl)ccc43)CC2)nc(C)[nH+]1 ZINC001361024390 1066221762 /nfs/dbraw/zinc/22/17/62/1066221762.db2.gz VMFLLROPIGSNED-UHFFFAOYSA-N 1 1 456.015 4.562 20 0 JJADMO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)n[nH]1 ZINC001442776298 1066222156 /nfs/dbraw/zinc/22/21/56/1066222156.db2.gz YPQZGSYTYQRREO-HXUWFJFHSA-N 1 1 457.456 4.700 20 0 JJADMO C[N@H+]1CCC[C@@H]1c1cc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)n[nH]1 ZINC001442776298 1066222176 /nfs/dbraw/zinc/22/21/76/1066222176.db2.gz YPQZGSYTYQRREO-HXUWFJFHSA-N 1 1 457.456 4.700 20 0 JJADMO C[C@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Oc2ccccc2)cc1 ZINC001442854406 1066231321 /nfs/dbraw/zinc/23/13/21/1066231321.db2.gz MTUCCKOLQLIXNL-FQEVSTJZSA-N 1 1 453.583 4.599 20 0 JJADMO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)/C=C/c3csc(C(F)(F)F)c3)C2)ccn1 ZINC001454006750 1066232607 /nfs/dbraw/zinc/23/26/07/1066232607.db2.gz BTBQLUJBONUYAO-VZSQWMKGSA-N 1 1 453.530 4.695 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2CC[N@H+](C)C(C)C)c1 ZINC001361028588 1066234153 /nfs/dbraw/zinc/23/41/53/1066234153.db2.gz MAYGIUBXIIDTHA-UHFFFAOYSA-N 1 1 451.537 4.513 20 0 JJADMO CCCN(C(=O)C[C@@](O)(c1ccc(C)o1)C(F)(F)F)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001442869051 1066234399 /nfs/dbraw/zinc/23/43/99/1066234399.db2.gz JFQLKOOCVFMOFW-NFBKMPQASA-N 1 1 452.517 4.631 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001361031510 1066242214 /nfs/dbraw/zinc/24/22/14/1066242214.db2.gz UBZWYJFUUJLLES-NQIIRXRSSA-N 1 1 479.591 4.985 20 0 JJADMO O=C(NCc1cc(Br)ccc1OC(F)F)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001442932073 1066243186 /nfs/dbraw/zinc/24/31/86/1066243186.db2.gz CEOIHDGEAHXINO-SFHVURJKSA-N 1 1 453.327 4.721 20 0 JJADMO CC[C@]1(C)CC[C@@H](Cn2c(CCCc3ccccc3)nnc2N2CCC[N@H+](C(C)C)CC2)O1 ZINC001546057620 1066243414 /nfs/dbraw/zinc/24/34/14/1066243414.db2.gz VJTGTGVIGIPOMY-RPLLCQBOSA-N 1 1 453.675 4.722 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCSCC(F)(F)F)c1 ZINC001361034865 1066251848 /nfs/dbraw/zinc/25/18/48/1066251848.db2.gz GZYSLEOUBPAFCZ-UHFFFAOYSA-N 1 1 485.620 4.690 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCOC(C)(C)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361038699 1066257934 /nfs/dbraw/zinc/25/79/34/1066257934.db2.gz MXVIHLHRRSDBIU-HXUWFJFHSA-N 1 1 469.674 4.600 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2CCC[N@H+]2CCCC[C@H]2C)c1 ZINC001361038781 1066258655 /nfs/dbraw/zinc/25/86/55/1066258655.db2.gz OVJQEPXESCSWOC-NOZRDPDXSA-N 1 1 469.674 4.600 20 0 JJADMO CC(C)(C)OC(=O)N1CCC(CCCCC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)CC1 ZINC001454302846 1066267010 /nfs/dbraw/zinc/26/70/10/1066267010.db2.gz RQHDDJOYEDMAEX-ZEQRLZLVSA-N 1 1 455.643 4.679 20 0 JJADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001443103966 1066268718 /nfs/dbraw/zinc/26/87/18/1066268718.db2.gz OJLCWPOPBJAEIS-HSZRJFAPSA-N 1 1 457.659 4.784 20 0 JJADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2CCCC[C@@]2(C)NC(=O)OC(C)(C)C)CC1 ZINC001443109717 1066270160 /nfs/dbraw/zinc/27/01/60/1066270160.db2.gz VADZLDKLTNBUGT-YIXXDRMTSA-N 1 1 457.659 4.831 20 0 JJADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCCC[C@]2(C)NC(=O)OC(C)(C)C)CC1 ZINC001443109654 1066270349 /nfs/dbraw/zinc/27/03/49/1066270349.db2.gz VADZLDKLTNBUGT-HOFKKMOUSA-N 1 1 457.659 4.831 20 0 JJADMO CC(C)(C)OC(=O)Nc1ccc2sc(C(=O)N3CC[NH2+][C@H](c4ccc(O)cc4)C3)cc2c1 ZINC001454340710 1066272329 /nfs/dbraw/zinc/27/23/29/1066272329.db2.gz WPKWWGMQPNLCJT-IBGZPJMESA-N 1 1 453.564 4.741 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001361048330 1066276946 /nfs/dbraw/zinc/27/69/46/1066276946.db2.gz VKCZFIRIPWVQGK-QDSKXPNFSA-N 1 1 457.659 4.877 20 0 JJADMO Cc1ccc(-n2ncc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)c2C(F)(F)F)cc1 ZINC001361047978 1066276992 /nfs/dbraw/zinc/27/69/92/1066276992.db2.gz NTPAJEOOAMRQGW-XMSQKQJNSA-N 1 1 456.512 4.840 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001361048329 1066277151 /nfs/dbraw/zinc/27/71/51/1066277151.db2.gz VKCZFIRIPWVQGK-HUVFLSCGSA-N 1 1 457.659 4.877 20 0 JJADMO C[C@H](CC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001454399492 1066277475 /nfs/dbraw/zinc/27/74/75/1066277475.db2.gz FWUGBIXKESPMOR-LGVFNWMJSA-N 1 1 457.659 4.687 20 0 JJADMO C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001454399498 1066277639 /nfs/dbraw/zinc/27/76/39/1066277639.db2.gz FWUGBIXKESPMOR-PQNGQFLHSA-N 1 1 457.659 4.687 20 0 JJADMO C[C@]12CN(C(=O)CSc3ccccc3Br)C[C@@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC001454405004 1066279161 /nfs/dbraw/zinc/27/91/61/1066279161.db2.gz OORPSLZWXXJIDQ-ZRZAMGCNSA-N 1 1 459.453 4.912 20 0 JJADMO Cc1nc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)nn1-c1c(Cl)cccc1Cl ZINC001454404744 1066279316 /nfs/dbraw/zinc/27/93/16/1066279316.db2.gz MQXHQKIRJKFUEW-QRWLVFNGSA-N 1 1 458.393 4.523 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCC(=O)c1ccc(Br)c(F)c1 ZINC001454423429 1066281658 /nfs/dbraw/zinc/28/16/58/1066281658.db2.gz JMNAKAKHIXYXOF-WOJBJXKFSA-N 1 1 475.402 4.681 20 0 JJADMO CC[C@]1(C)CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546061581 1066282386 /nfs/dbraw/zinc/28/23/86/1066282386.db2.gz BZILEZGXMLIHRI-KKPNIWNPSA-N 1 1 473.637 4.683 20 0 JJADMO C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC001454447890 1066283438 /nfs/dbraw/zinc/28/34/38/1066283438.db2.gz BMTIXBADBYYREG-VLGSPTGOSA-N 1 1 455.480 4.881 20 0 JJADMO Cc1cc(-c2nnc(N3CC[C@@H](OCC(C)C)C3)n2CCC[N@@H+](C)C(C)C)c2ccccc2n1 ZINC001361050289 1066284351 /nfs/dbraw/zinc/28/43/51/1066284351.db2.gz WSZKXMBXKFEAFT-JOCHJYFZSA-N 1 1 464.658 4.783 20 0 JJADMO O=C([C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CCc2cc(F)cc(Br)c2C1 ZINC001454475496 1066289055 /nfs/dbraw/zinc/28/90/55/1066289055.db2.gz OYFMGNXGIODGGI-FQEVSTJZSA-N 1 1 451.767 4.791 20 0 JJADMO O=C([C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CCc2cc(F)cc(Br)c2C1 ZINC001454475496 1066289070 /nfs/dbraw/zinc/28/90/70/1066289070.db2.gz OYFMGNXGIODGGI-FQEVSTJZSA-N 1 1 451.767 4.791 20 0 JJADMO O=C(CN[C@H](c1ccccc1)C(F)(F)F)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001443359941 1066301169 /nfs/dbraw/zinc/30/11/69/1066301169.db2.gz VCNLBIGULOFKHI-IFMALSPDSA-N 1 1 453.936 4.704 20 0 JJADMO Cc1nc(C[NH+]2CCC(CNC(=O)c3ccccc3SCc3cscn3)CC2)oc1C ZINC001443358369 1066301301 /nfs/dbraw/zinc/30/13/01/1066301301.db2.gz NFGGGJATWKUNHK-UHFFFAOYSA-N 1 1 456.637 4.682 20 0 JJADMO COc1ccc([C@H]2CN(C(=O)/C=C\c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC[NH2+]2)cc1 ZINC001454588358 1066305565 /nfs/dbraw/zinc/30/55/65/1066305565.db2.gz SPJGQKHXSADHTA-RQEHUIBCSA-N 1 1 458.402 4.919 20 0 JJADMO Cc1cc(CN(C)c2nnc(COc3ccc(F)cc3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)no1 ZINC001361066621 1066306362 /nfs/dbraw/zinc/30/63/62/1066306362.db2.gz MPGIJRDTGQINFZ-KDURUIRLSA-N 1 1 484.620 4.686 20 0 JJADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)c3c[nH]cc3-c3ccc(C)s3)CC2)c1C ZINC001443416727 1066308384 /nfs/dbraw/zinc/30/83/84/1066308384.db2.gz ZNPUNWBQAAEOKD-UHFFFAOYSA-N 1 1 452.624 4.809 20 0 JJADMO CC[C@@]1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001546063754 1066309129 /nfs/dbraw/zinc/30/91/29/1066309129.db2.gz BUBJZUCSMBQIMJ-QFIPXVFZSA-N 1 1 463.468 4.927 20 0 JJADMO Cc1cc(Cn2c(-c3cccc(Br)c3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)no1 ZINC001361070290 1066309310 /nfs/dbraw/zinc/30/93/10/1066309310.db2.gz IGJKSVRCOPDHGN-UHFFFAOYSA-N 1 1 487.446 4.609 20 0 JJADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cc(F)ccc2Sc2ccc(Cl)cc2)CC1 ZINC001443432874 1066310519 /nfs/dbraw/zinc/31/05/19/1066310519.db2.gz UOMIPQYTNGVHDY-KRWDZBQOSA-N 1 1 450.023 4.634 20 0 JJADMO CCN(CC)c1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)cc1 ZINC001454633610 1066312966 /nfs/dbraw/zinc/31/29/66/1066312966.db2.gz MCPADHPMZUIBNU-WUFINQPMSA-N 1 1 457.618 4.939 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC001454656539 1066316181 /nfs/dbraw/zinc/31/61/81/1066316181.db2.gz OUJDLTHMAWJISL-RTWAWAEBSA-N 1 1 450.023 4.600 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC001454656539 1066316201 /nfs/dbraw/zinc/31/62/01/1066316201.db2.gz OUJDLTHMAWJISL-RTWAWAEBSA-N 1 1 450.023 4.600 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001443551714 1066328498 /nfs/dbraw/zinc/32/84/98/1066328498.db2.gz OZWHTPYRYWWWIH-XZOQPEGZSA-N 1 1 457.659 4.973 20 0 JJADMO CC[N@@H+](Cc1ccc(C(=O)N(C)C[C@@H](O)COc2cc(Cl)cc(Cl)c2)cc1)C(C)C ZINC001454739388 1066329439 /nfs/dbraw/zinc/32/94/39/1066329439.db2.gz KLPMPBBEIOJSQY-OAQYLSRUSA-N 1 1 453.410 4.736 20 0 JJADMO CCOC(=O)Nc1ccc(OC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1 ZINC001443578924 1066331275 /nfs/dbraw/zinc/33/12/75/1066331275.db2.gz LFYQFQLCCKNFNH-NHCUHLMSSA-N 1 1 451.548 4.533 20 0 JJADMO CC[C@@]1(C)CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001546065922 1066337403 /nfs/dbraw/zinc/33/74/03/1066337403.db2.gz CFJSBPDYUKDZDQ-OUTSHDOLSA-N 1 1 494.728 4.812 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCSCC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001361091557 1066340894 /nfs/dbraw/zinc/34/08/94/1066340894.db2.gz QPMZABINRFKRFW-TZIWHRDSSA-N 1 1 492.133 4.925 20 0 JJADMO COc1ccccc1Cn1cnc2cc(C(=O)NCc3cccc(C[N@@H+](C)C(C)C)c3)ccc21 ZINC001443642029 1066343518 /nfs/dbraw/zinc/34/35/18/1066343518.db2.gz LLXMCNHTWIVZKZ-UHFFFAOYSA-N 1 1 456.590 4.863 20 0 JJADMO Cc1cc(F)ccc1CCn1c(Cc2cccnc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001361094794 1066345520 /nfs/dbraw/zinc/34/55/20/1066345520.db2.gz KLMXRZUGPHQVAH-UHFFFAOYSA-N 1 1 464.633 4.511 20 0 JJADMO CC[C@@]1(C)CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC[N@@H+](C)CCCOC)C1 ZINC001546066935 1066345842 /nfs/dbraw/zinc/34/58/42/1066345842.db2.gz XZBFMBKZBRFSEM-QFIPXVFZSA-N 1 1 498.897 4.956 20 0 JJADMO C[N@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(C(F)F)c1 ZINC001454974625 1066348889 /nfs/dbraw/zinc/34/88/89/1066348889.db2.gz KGSPDTWMAJDZAJ-LJQANCHMSA-N 1 1 451.489 4.727 20 0 JJADMO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)Cc3csc(COc4ccc(Cl)cc4)n3)C2)cc1 ZINC001455008642 1066352859 /nfs/dbraw/zinc/35/28/59/1066352859.db2.gz FYUANLQAMSAEJW-HXUWFJFHSA-N 1 1 456.011 4.617 20 0 JJADMO Cc1cccc(O[C@@H](C)Cn2c(CC(C)C)nnc2N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC001361111225 1066361571 /nfs/dbraw/zinc/36/15/71/1066361571.db2.gz XYKNNOAECIQJTD-VMODYCNZSA-N 1 1 493.700 4.505 20 0 JJADMO Cc1cccc(OCCN(C)c2nnc([C@H]3CCCOC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361112477 1066363347 /nfs/dbraw/zinc/36/33/47/1066363347.db2.gz XWRQZYXXKZGJKU-VXNXHJTFSA-N 1 1 483.701 4.752 20 0 JJADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC001443765538 1066364166 /nfs/dbraw/zinc/36/41/66/1066364166.db2.gz XIZGBDOSCAUVCL-OAQYLSRUSA-N 1 1 458.400 4.696 20 0 JJADMO CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC001443765270 1066364483 /nfs/dbraw/zinc/36/44/83/1066364483.db2.gz CTWPLOZJKIBWDB-HSZRJFAPSA-N 1 1 454.636 4.641 20 0 JJADMO O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC001443767286 1066365157 /nfs/dbraw/zinc/36/51/57/1066365157.db2.gz KTWRUNCKBVZNAN-JKSUJKDBSA-N 1 1 453.332 4.822 20 0 JJADMO COCCc1ccc(Oc2ccc(NC(=O)c3ccc(C[NH+]4CCN(C)CC4)cc3)cc2)cc1 ZINC001443770290 1066365507 /nfs/dbraw/zinc/36/55/07/1066365507.db2.gz ODKUWNZYNKBSIH-UHFFFAOYSA-N 1 1 459.590 4.668 20 0 JJADMO Cc1ccc(C(=O)N2CCN(c3nnc(C(C)(C)C)n3CCCC[N@@H+]3CCCC[C@H]3C)CC2)s1 ZINC001361115461 1066367162 /nfs/dbraw/zinc/36/71/62/1066367162.db2.gz LIEBQEOTFDTFKE-HXUWFJFHSA-N 1 1 486.730 4.563 20 0 JJADMO O=C(N[C@H](CO)c1ccc(Br)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001455231191 1066374168 /nfs/dbraw/zinc/37/41/68/1066374168.db2.gz NSWQDJPPVXWJKP-RBZQAINGSA-N 1 1 471.439 4.537 20 0 JJADMO CC[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1)OC ZINC001545962935 1066378737 /nfs/dbraw/zinc/37/87/37/1066378737.db2.gz MUYDPXBSQHBGQM-RDPSFJRHSA-N 1 1 453.675 4.978 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)CC[C@H]3C)n2C[C@H]2CCC[N@H+]2CCCO)c1 ZINC001361125971 1066381449 /nfs/dbraw/zinc/38/14/49/1066381449.db2.gz IDRUEACSCYSTFB-WXFUMESZSA-N 1 1 483.701 4.761 20 0 JJADMO CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[N@H+](C(C)C)CC1)Oc1cccc(F)c1 ZINC001545963078 1066382803 /nfs/dbraw/zinc/38/28/03/1066382803.db2.gz PRZJROMMHZXFMC-OAQYLSRUSA-N 1 1 455.578 4.764 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N(C)CCOC(C)(C)C)n2C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC001361126387 1066384125 /nfs/dbraw/zinc/38/41/25/1066384125.db2.gz RBFBUCDZUHUGSX-QFIPXVFZSA-N 1 1 494.684 4.999 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)[C@@H](C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001361126372 1066384278 /nfs/dbraw/zinc/38/42/78/1066384278.db2.gz QVAGSQTYVJLCOK-KMDXXIMOSA-N 1 1 483.701 4.738 20 0 JJADMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001443909809 1066384799 /nfs/dbraw/zinc/38/47/99/1066384799.db2.gz QMQUQJOMCRPNGC-FQEVSTJZSA-N 1 1 457.659 4.539 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H]3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001361127301 1066388029 /nfs/dbraw/zinc/38/80/29/1066388029.db2.gz HFWDRTHAQCNVKR-ISKFKSNPSA-N 1 1 469.674 4.634 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CC2(C)COC2)c1 ZINC001361128092 1066390356 /nfs/dbraw/zinc/39/03/56/1066390356.db2.gz SFSIVXNFBPNGQZ-UHFFFAOYSA-N 1 1 483.701 4.882 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2Cc2ncccc2C)c1 ZINC001361128140 1066391139 /nfs/dbraw/zinc/39/11/39/1066391139.db2.gz SYCXTFOZULOMSD-UHFFFAOYSA-N 1 1 476.669 4.961 20 0 JJADMO CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC001455455998 1066392423 /nfs/dbraw/zinc/39/24/23/1066392423.db2.gz MXPNIBSDIOBXKJ-BJKOFHAPSA-N 1 1 459.556 4.578 20 0 JJADMO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)CCCc2nc(-c3ccc(F)cc3)no2)CC1 ZINC001455464824 1066394699 /nfs/dbraw/zinc/39/46/99/1066394699.db2.gz MKVTZOOXBXUWQA-QFIPXVFZSA-N 1 1 454.521 4.633 20 0 JJADMO CCc1nc(C[NH+]2CCC(CNC(=O)CC[C@H](O)c3ccc(C(C)(C)C)cc3)CC2)cs1 ZINC001444033443 1066396586 /nfs/dbraw/zinc/39/65/86/1066396586.db2.gz NATMXYQBWZCSGS-QHCPKHFHSA-N 1 1 457.684 4.845 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCSC[C@@H]3C)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001361131598 1066400137 /nfs/dbraw/zinc/40/01/37/1066400137.db2.gz LUAOXWXCLWQMFP-SFTDATJTSA-N 1 1 457.688 4.715 20 0 JJADMO Cc1nc2sc(-c3ccccc3)cc2c(NCC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001444074802 1066400267 /nfs/dbraw/zinc/40/02/67/1066400267.db2.gz BTBNEZRHHWJONP-GOSISDBHSA-N 1 1 459.619 4.715 20 0 JJADMO Cc1ccc([C@H](C)Cn2c(CC3CCCC3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001361135087 1066408713 /nfs/dbraw/zinc/40/87/13/1066408713.db2.gz PDOUZOFLYHLBED-HSZRJFAPSA-N 1 1 467.702 4.918 20 0 JJADMO O=C(Cc1cc(Br)ccc1F)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001444134376 1066411802 /nfs/dbraw/zinc/41/18/02/1066411802.db2.gz LKMQWYIDIAYVBN-KRWDZBQOSA-N 1 1 459.281 4.540 20 0 JJADMO O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(NCc2ccccn2)c1 ZINC001444141864 1066414613 /nfs/dbraw/zinc/41/46/13/1066414613.db2.gz VQTQLKCBKPSJSF-QHCPKHFHSA-N 1 1 454.496 4.717 20 0 JJADMO C[C@@H]1C[C@@H]2CC[C@H](C(=O)Nc3ccc(CNC(=O)c4ccc(C(F)(F)F)cc4)cc3)C[N@H+]2C1 ZINC001444176521 1066425647 /nfs/dbraw/zinc/42/56/47/1066425647.db2.gz PIJWPGUGQCACKK-WVBUVRCRSA-N 1 1 459.512 4.694 20 0 JJADMO Cc1ncsc1CN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001361145846 1066430277 /nfs/dbraw/zinc/43/02/77/1066430277.db2.gz LAPKFHKQXVUNKZ-QHCPKHFHSA-N 1 1 482.698 4.996 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC001444247148 1066433899 /nfs/dbraw/zinc/43/38/99/1066433899.db2.gz IELWTZQWAUIZDT-RZUBCFFCSA-N 1 1 458.647 4.693 20 0 JJADMO COC(=O)Nc1cc(C(=O)Nc2ccc(C[N@@H+](C)CCOc3ccccc3)cc2)ccc1F ZINC001455812684 1066436760 /nfs/dbraw/zinc/43/67/60/1066436760.db2.gz YJUPGZUGFLDZMY-UHFFFAOYSA-N 1 1 451.498 4.767 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)CC3CCCCC3)n2CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001361148725 1066436816 /nfs/dbraw/zinc/43/68/16/1066436816.db2.gz URIHGQGIZURETQ-UHFFFAOYSA-N 1 1 469.674 4.601 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)CC3CCCCC3)n2CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001361148725 1066436820 /nfs/dbraw/zinc/43/68/20/1066436820.db2.gz URIHGQGIZURETQ-UHFFFAOYSA-N 1 1 469.674 4.601 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)OC3CCCC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001361149038 1066438649 /nfs/dbraw/zinc/43/86/49/1066438649.db2.gz GDIXGQANKFBRPC-VXKWHMMOSA-N 1 1 485.673 4.672 20 0 JJADMO CCOC(=O)[C@@H](C[C@H](C)CC)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001455828115 1066439702 /nfs/dbraw/zinc/43/97/02/1066439702.db2.gz MWRNRLJYRAHYDA-JFWNMISASA-N 1 1 450.623 4.695 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CC[N@@H+](C)C2CCCC2)c1 ZINC001361151239 1066442079 /nfs/dbraw/zinc/44/20/79/1066442079.db2.gz FQFQUYCFAGHBGG-SIKLNZKXSA-N 1 1 495.590 4.504 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001361151620 1066443353 /nfs/dbraw/zinc/44/33/53/1066443353.db2.gz CCXLETAGCMNIEE-IBGZPJMESA-N 1 1 465.564 4.737 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C)[C@H](C)C3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361152043 1066445229 /nfs/dbraw/zinc/44/52/29/1066445229.db2.gz HMCFZRJTVYVSKL-KELGSRBJSA-N 1 1 483.701 4.844 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC001361153347 1066449083 /nfs/dbraw/zinc/44/90/83/1066449083.db2.gz XZBHOJJWDZQDPB-DNQXCXABSA-N 1 1 483.701 4.847 20 0 JJADMO CCc1ccc(CN2CCN(C(=O)c3ccccc3OCC[N@H+]3CCCC[C@@H]3C)CC2)s1 ZINC001444346087 1066452622 /nfs/dbraw/zinc/45/26/22/1066452622.db2.gz KEERYUCDKMDYEH-NRFANRHFSA-N 1 1 455.668 4.522 20 0 JJADMO C[C@H]1[C@@H](NC(=O)c2ccccc2SCC(=O)Nc2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC001455953862 1066459489 /nfs/dbraw/zinc/45/94/89/1066459489.db2.gz WZBAIIZZPMICAY-UGSOOPFHSA-N 1 1 452.407 4.547 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCOC(C)(C)C)c1 ZINC001361158900 1066461977 /nfs/dbraw/zinc/46/19/77/1066461977.db2.gz HQYQBGCOKZHRIX-UHFFFAOYSA-N 1 1 457.663 4.600 20 0 JJADMO CC(C)(C)OC(=O)/C=C/c1cc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)co1 ZINC001361161455 1066467024 /nfs/dbraw/zinc/46/70/24/1066467024.db2.gz YVWFAUNRPUWJMT-GHUXWVSLSA-N 1 1 450.579 4.763 20 0 JJADMO Cc1cccc(CN2CCCC[C@@H]2C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)c1 ZINC001455987645 1066467119 /nfs/dbraw/zinc/46/71/19/1066467119.db2.gz UQODKSMOTSIPAO-AREMUKBSSA-N 1 1 452.618 4.658 20 0 JJADMO C[C@@H](C(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)sc2c1)c1ccc(Br)cc1 ZINC001455993852 1066469263 /nfs/dbraw/zinc/46/92/63/1066469263.db2.gz VSJDTFYMVAVWRI-CQSZACIVSA-N 1 1 459.413 4.553 20 0 JJADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1 ZINC001444551413 1066474147 /nfs/dbraw/zinc/47/41/47/1066474147.db2.gz LWHRXFLHJZFKPY-IBGZPJMESA-N 1 1 454.521 4.662 20 0 JJADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 ZINC001444557230 1066474759 /nfs/dbraw/zinc/47/47/59/1066474759.db2.gz RTDUKQNHAPZZOK-FIPFOOKPSA-N 1 1 450.623 4.772 20 0 JJADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001444554805 1066474976 /nfs/dbraw/zinc/47/49/76/1066474976.db2.gz PPOTYTYPYAWMSQ-XMMPIXPASA-N 1 1 457.659 4.784 20 0 JJADMO Cc1ccc(C2(C)CCN(c3nnc([C@@]4(OC(C)C)CCOC4)n3CCC[N@@H+](C)C(C)C)CC2)cc1 ZINC001361165264 1066476420 /nfs/dbraw/zinc/47/64/20/1066476420.db2.gz FJANTCRBEIWEGY-GDLZYMKVSA-N 1 1 497.728 4.916 20 0 JJADMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1cc(Br)cnc1Cl ZINC001456030747 1066482985 /nfs/dbraw/zinc/48/29/85/1066482985.db2.gz QBDFXEXTYSWTJE-INIZCTEOSA-N 1 1 457.199 4.935 20 0 JJADMO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1cc(Br)cnc1Cl ZINC001456030747 1066482993 /nfs/dbraw/zinc/48/29/93/1066482993.db2.gz QBDFXEXTYSWTJE-INIZCTEOSA-N 1 1 457.199 4.935 20 0 JJADMO Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccccc3C)n2CCC[N@H+]2CCCO[C@H](C)C2)o1 ZINC001361169715 1066484018 /nfs/dbraw/zinc/48/40/18/1066484018.db2.gz JIZAVPSEYRUFOX-FGZHOGPDSA-N 1 1 451.615 4.853 20 0 JJADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)C[C@H]1C ZINC001444622553 1066485025 /nfs/dbraw/zinc/48/50/25/1066485025.db2.gz XXYJGNVZPAIDPQ-IERDGZPVSA-N 1 1 458.400 4.646 20 0 JJADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)c3cc(-c4ccccc4)ns3)CC2)c1C ZINC001456038901 1066487013 /nfs/dbraw/zinc/48/70/13/1066487013.db2.gz OQWNFOLCMGPGOM-UHFFFAOYSA-N 1 1 450.608 4.567 20 0 JJADMO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl ZINC001444668520 1066490834 /nfs/dbraw/zinc/49/08/34/1066490834.db2.gz SOENLRVUZAOIJM-JXMROGBWSA-N 1 1 451.920 4.653 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CC(=O)N(C)[C@@H](C)c3ccccc3)n2CC[N@@H+](C)C2CCCCC2)o1 ZINC001361174111 1066491147 /nfs/dbraw/zinc/49/11/47/1066491147.db2.gz MXGPCWFPJWTRHN-QFIPXVFZSA-N 1 1 492.668 4.767 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3ccc(Cl)s3)n2CCC[N@H+]2CCCO[C@H](C)C2)o1 ZINC001361179004 1066500177 /nfs/dbraw/zinc/50/01/77/1066500177.db2.gz WWFOLBMOWNRAGS-QGZVFWFLSA-N 1 1 464.035 4.699 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3ccccc3C(F)(F)F)n2CC[N@@H+]2CCOCC2(C)C)o1 ZINC001361180936 1066502022 /nfs/dbraw/zinc/50/20/22/1066502022.db2.gz LWXPVNSHJIEHBN-UHFFFAOYSA-N 1 1 477.531 4.613 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3ccccc3C(F)(F)F)n2CC[N@H+]2CCOCC2(C)C)o1 ZINC001361180936 1066502030 /nfs/dbraw/zinc/50/20/30/1066502030.db2.gz LWXPVNSHJIEHBN-UHFFFAOYSA-N 1 1 477.531 4.613 20 0 JJADMO CCN(CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(C)c2)CC1)C(=O)OC(C)(C)C ZINC001444767290 1066502621 /nfs/dbraw/zinc/50/26/21/1066502621.db2.gz GQCRMHYZNHVLPK-DEOSSOPVSA-N 1 1 457.659 4.845 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CCCC[N@@H+]2CCCC[C@H]2C)o1 ZINC001361181813 1066504298 /nfs/dbraw/zinc/50/42/98/1066504298.db2.gz XILBPXCXAZJQLF-QGZVFWFLSA-N 1 1 460.026 4.524 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1cscn1 ZINC001361181799 1066504374 /nfs/dbraw/zinc/50/43/74/1066504374.db2.gz XATIYWGKGSHUQC-UHFFFAOYSA-N 1 1 486.443 4.704 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCC3CCOCC3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC001361187119 1066510957 /nfs/dbraw/zinc/51/09/57/1066510957.db2.gz GEEARTXINSJZSA-OYRHEFFESA-N 1 1 457.663 4.858 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCCc3ccccn3)n2CC[N@@H+]2CC=CCC2)cc1Br ZINC001361187193 1066511092 /nfs/dbraw/zinc/51/10/92/1066511092.db2.gz IMIRRYRNIGQUBM-UHFFFAOYSA-N 1 1 495.469 4.742 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCC3CC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1Br ZINC001361187292 1066511501 /nfs/dbraw/zinc/51/15/01/1066511501.db2.gz LSENVBMQCYILQI-IBGZPJMESA-N 1 1 490.490 4.753 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCC3CC3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1Br ZINC001361187293 1066511585 /nfs/dbraw/zinc/51/15/85/1066511585.db2.gz LSENVBMQCYILQI-LJQANCHMSA-N 1 1 490.490 4.753 20 0 JJADMO CC[C@]1(C)CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546079622 1066513117 /nfs/dbraw/zinc/51/31/17/1066513117.db2.gz QJHUBHJSGHSXPQ-BVFVYWQFSA-N 1 1 473.637 4.510 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCOCc3ccccc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)o1 ZINC001361190277 1066515635 /nfs/dbraw/zinc/51/56/35/1066515635.db2.gz HJDCAEZSEYRFNZ-NHCUHLMSSA-N 1 1 451.615 4.620 20 0 JJADMO C[C@H]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CC[N@H+]1Cc1ccccc1 ZINC001444893532 1066516411 /nfs/dbraw/zinc/51/64/11/1066516411.db2.gz SSVFLUZUNGQJGK-KRWDZBQOSA-N 1 1 453.384 4.576 20 0 JJADMO CC[N@H+]1CCC[C@H](NC(=O)c2cc3c(C)nn(Cc4c(Cl)cccc4Cl)c3s2)C1 ZINC001456158856 1066525485 /nfs/dbraw/zinc/52/54/85/1066525485.db2.gz XFTCTILZGCNFNS-AWEZNQCLSA-N 1 1 451.423 4.975 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2CCCCn2cc[nH+]c2C)o1 ZINC001361199188 1066528069 /nfs/dbraw/zinc/52/80/69/1066528069.db2.gz ACERESVVUXIIFF-TZIWHRDSSA-N 1 1 497.644 4.571 20 0 JJADMO CCCOc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCCC ZINC001445043927 1066533085 /nfs/dbraw/zinc/53/30/85/1066533085.db2.gz CTJKXKTXJAKEEO-FPOVZHCZSA-N 1 1 452.595 4.708 20 0 JJADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2ccccc2NCCc2ccc(Cl)cc2)cc1 ZINC001445051709 1066534228 /nfs/dbraw/zinc/53/42/28/1066534228.db2.gz CTKHPZZFSPIXBR-UHFFFAOYSA-N 1 1 450.970 4.747 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)n2CC[S@](=O)C(C)(C)C)o1 ZINC001361204208 1066534634 /nfs/dbraw/zinc/53/46/34/1066534634.db2.gz POOZUALIGJYSAJ-TYHYVREOSA-N 1 1 489.730 4.875 20 0 JJADMO CCCc1c(C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)cnn1-c1cccc(C)c1 ZINC001456200816 1066536236 /nfs/dbraw/zinc/53/62/36/1066536236.db2.gz WWWGFKSJJXIAQB-UHFFFAOYSA-N 1 1 452.643 4.677 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[C@@H](C[NH+]4CCOCC4)C3)n2CCCC(C)C)cc1Br ZINC001361205413 1066536886 /nfs/dbraw/zinc/53/68/86/1066536886.db2.gz IPDQYWZYDASFRS-FQEVSTJZSA-N 1 1 490.490 4.611 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC001445101226 1066539770 /nfs/dbraw/zinc/53/97/70/1066539770.db2.gz ZPULSSZMEZZTRN-UNIVCBNLSA-N 1 1 467.629 4.512 20 0 JJADMO C[C@@H]1C[C@@H](NC(=O)c2ccc(CCNC(=O)OC(C)(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC001445229567 1066547620 /nfs/dbraw/zinc/54/76/20/1066547620.db2.gz ZZJMMEPVZUBMNQ-YKSBVNFPSA-N 1 1 451.611 4.537 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2CCCC[N@@H+]2CCC[C@H](C)C2)o1 ZINC001361214246 1066550330 /nfs/dbraw/zinc/55/03/30/1066550330.db2.gz LEUBHQGLBFIXBM-JTHBVZDNSA-N 1 1 498.716 4.737 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@H]2CC=CCO2)cc1Br ZINC001361218201 1066554501 /nfs/dbraw/zinc/55/45/01/1066554501.db2.gz PKPYJWJILDSCSR-HXUWFJFHSA-N 1 1 488.474 4.672 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC2(C)CCOCC2)cc1Br ZINC001361218935 1066555583 /nfs/dbraw/zinc/55/55/83/1066555583.db2.gz XLNRLJPXKLMTRM-UHFFFAOYSA-N 1 1 490.490 4.753 20 0 JJADMO CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)C1 ZINC001361220071 1066556820 /nfs/dbraw/zinc/55/68/20/1066556820.db2.gz DGGNNMHXKULYDA-PCCBWWKXSA-N 1 1 468.560 4.657 20 0 JJADMO O=C(c1cccc2c1OC(F)(F)O2)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001361220481 1066557299 /nfs/dbraw/zinc/55/72/99/1066557299.db2.gz RTNDMGJVZIOJLE-INIZCTEOSA-N 1 1 456.411 4.535 20 0 JJADMO C[C@@H](CCNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC001445358597 1066562137 /nfs/dbraw/zinc/56/21/37/1066562137.db2.gz ADPNZTMZVRBYMF-GBXCKJPGSA-N 1 1 451.611 4.548 20 0 JJADMO Cc1ccc(-c2nnc(N3CCN(CC[N@@H+]4[C@H](C)CC[C@@H]4C)CC3)n2CC(C)(C)C(C)C)o1 ZINC001361225864 1066564495 /nfs/dbraw/zinc/56/44/95/1066564495.db2.gz OWMPUDWYQWGIEY-OYRHEFFESA-N 1 1 456.679 4.524 20 0 JJADMO C[S@](=O)c1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)cc1 ZINC001456345422 1066566351 /nfs/dbraw/zinc/56/63/51/1066566351.db2.gz XOYRBKFUOBWRQP-JLELKNTQSA-N 1 1 453.007 4.932 20 0 JJADMO Cc1ccc(-c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cc1Br ZINC001361232756 1066573392 /nfs/dbraw/zinc/57/33/92/1066573392.db2.gz WSHWVJGRBILZEL-OPYAIIAOSA-N 1 1 478.454 4.931 20 0 JJADMO CN(C(=O)CCCC(=O)c1ccc(Br)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001445475209 1066575522 /nfs/dbraw/zinc/57/55/22/1066575522.db2.gz YXIWCTUPORRHMQ-JOCHJYFZSA-N 1 1 457.412 4.925 20 0 JJADMO CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)Oc1ccccc1F ZINC001545975643 1066576482 /nfs/dbraw/zinc/57/64/82/1066576482.db2.gz WCGZCWFDYVASNR-LJQANCHMSA-N 1 1 454.594 4.581 20 0 JJADMO CCOc1cc2c(cc1CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C)O[C@@H](C)C2 ZINC001361238498 1066578714 /nfs/dbraw/zinc/57/87/14/1066578714.db2.gz OXOYUINPUFQZDM-UXHICEINSA-N 1 1 452.595 4.592 20 0 JJADMO COCCc1ccc(OCCCC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001445523110 1066580785 /nfs/dbraw/zinc/58/07/85/1066580785.db2.gz JHPWFTOLDCWVOI-VPUSJEBWSA-N 1 1 450.623 4.548 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC001445524441 1066581392 /nfs/dbraw/zinc/58/13/92/1066581392.db2.gz OKBXGSREBVHVJN-OBTVHEKISA-N 1 1 455.643 4.537 20 0 JJADMO C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC001445524616 1066581997 /nfs/dbraw/zinc/58/19/97/1066581997.db2.gz GWSGHKZFKOFUGI-JPYJTQIMSA-N 1 1 455.574 4.692 20 0 JJADMO C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC001445524616 1066582010 /nfs/dbraw/zinc/58/20/10/1066582010.db2.gz GWSGHKZFKOFUGI-JPYJTQIMSA-N 1 1 455.574 4.692 20 0 JJADMO O=C(CSCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001445527769 1066582470 /nfs/dbraw/zinc/58/24/70/1066582470.db2.gz URMNZMUBNQLDQX-GGAORHGYSA-N 1 1 457.039 4.769 20 0 JJADMO CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc1 ZINC001445531744 1066583700 /nfs/dbraw/zinc/58/37/00/1066583700.db2.gz ZJZLZSMMRSDEIW-OFNKIYASSA-N 1 1 450.583 4.555 20 0 JJADMO O=C(CCCc1ccc(Br)cc1)N1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001456436562 1066585526 /nfs/dbraw/zinc/58/55/26/1066585526.db2.gz KGOJVFJJEMEIQI-UHFFFAOYSA-N 1 1 459.428 4.523 20 0 JJADMO Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+]2CCCC(C)(C)C2)o1 ZINC001361247134 1066589505 /nfs/dbraw/zinc/58/95/05/1066589505.db2.gz QRFXPVJKLPQTQM-UHFFFAOYSA-N 1 1 478.641 4.807 20 0 JJADMO Cc1ccc(CN(C)c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCC[N@H+](C(C)C)C2)o1 ZINC001361249782 1066594161 /nfs/dbraw/zinc/59/41/61/1066594161.db2.gz FPVDRSLLFYRZMY-SFHVURJKSA-N 1 1 489.462 4.704 20 0 JJADMO Cc1ccc(CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C)[NH+]2CCOCC2)o1 ZINC001361249969 1066595189 /nfs/dbraw/zinc/59/51/89/1066595189.db2.gz MJSMUZDVIFWQFZ-IBGZPJMESA-N 1 1 451.615 4.501 20 0 JJADMO CN(C(=O)c1ccc(NC(=O)c2c(Cl)cccc2OCC2CC2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001456498456 1066600975 /nfs/dbraw/zinc/60/09/75/1066600975.db2.gz HMSAZMCQCWPUMH-HXUWFJFHSA-N 1 1 455.986 4.547 20 0 JJADMO Cc1ccc(C(C)C)c(OCCC(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@@H+](C)C3)cc2)c1 ZINC001456501080 1066602386 /nfs/dbraw/zinc/60/23/86/1066602386.db2.gz RGKJIAXZPIEIQQ-QHCPKHFHSA-N 1 1 451.611 4.692 20 0 JJADMO COc1cc(N[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3CC(C)C)C2)cc(OC)c1 ZINC001445682121 1066602567 /nfs/dbraw/zinc/60/25/67/1066602567.db2.gz AVPCNQRSAPNWEO-PRVBGKCFSA-N 1 1 479.665 4.901 20 0 JJADMO Cc1ccc(CN(C)c2nnc(-c3cnccn3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)s1 ZINC001361255310 1066602972 /nfs/dbraw/zinc/60/29/72/1066602972.db2.gz UTXCFKRFYZNAAR-IBGZPJMESA-N 1 1 461.639 4.652 20 0 JJADMO Cc1ccc(CN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCOCC2(C)C)o1 ZINC001361260929 1066610311 /nfs/dbraw/zinc/61/03/11/1066610311.db2.gz AQGOUQSSWRUAJG-UHFFFAOYSA-N 1 1 495.668 4.803 20 0 JJADMO Cc1ccc(CN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCOCC2(C)C)o1 ZINC001361260929 1066610315 /nfs/dbraw/zinc/61/03/15/1066610315.db2.gz AQGOUQSSWRUAJG-UHFFFAOYSA-N 1 1 495.668 4.803 20 0 JJADMO Cc1ccc(CN(Cc2ccco2)c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@H+]2CCCO)s1 ZINC001361261623 1066613746 /nfs/dbraw/zinc/61/37/46/1066613746.db2.gz GDDVAUDQOUZETQ-FQEVSTJZSA-N 1 1 471.671 4.592 20 0 JJADMO Cc1ccccc1-c1nc(CNC(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)no1 ZINC001445777907 1066615870 /nfs/dbraw/zinc/61/58/70/1066615870.db2.gz LUMVGBYJCWXKEM-DEOSSOPVSA-N 1 1 458.537 4.702 20 0 JJADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001445778294 1066615965 /nfs/dbraw/zinc/61/59/65/1066615965.db2.gz CLBRMPQIIOBSJH-SJKOYZFVSA-N 1 1 450.764 4.502 20 0 JJADMO C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)[C@@H](O)c1cccc(F)c1 ZINC001445827507 1066623793 /nfs/dbraw/zinc/62/37/93/1066623793.db2.gz VQQXGKQMIRVXNO-TYKYNWMQSA-N 1 1 466.984 4.933 20 0 JJADMO Cc1c(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001456562401 1066625655 /nfs/dbraw/zinc/62/56/55/1066625655.db2.gz PZUUCDFMBQHYEC-GOSISDBHSA-N 1 1 456.512 4.936 20 0 JJADMO C[N@@H+](CCN(Cc1ccccc1)C(=O)CCN1c2ccccc2CCC1=O)Cc1ccccc1 ZINC001361278632 1066636091 /nfs/dbraw/zinc/63/60/91/1066636091.db2.gz CPFGFZXBOZLSFH-UHFFFAOYSA-N 1 1 455.602 4.517 20 0 JJADMO Cc1c(C(=O)N(CC[N@H+](C)Cc2ccccc2)Cc2ccccc2)nnn1-c1cccc(C)c1 ZINC001361278740 1066636141 /nfs/dbraw/zinc/63/61/41/1066636141.db2.gz GBTAOVCKFHWJEL-UHFFFAOYSA-N 1 1 453.590 4.659 20 0 JJADMO Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC001361284429 1066642227 /nfs/dbraw/zinc/64/22/27/1066642227.db2.gz GMTGWMLSJMLHDH-KDURUIRLSA-N 1 1 459.704 4.611 20 0 JJADMO C[C@@H](Oc1ccccc1Cl)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001446006023 1066645044 /nfs/dbraw/zinc/64/50/44/1066645044.db2.gz VBHUVSAJDBYLFP-OAHLLOKOSA-N 1 1 451.792 4.651 20 0 JJADMO CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)c1ccccc1 ZINC001545980573 1066652074 /nfs/dbraw/zinc/65/20/74/1066652074.db2.gz WQDITNUTONUQIB-HSZRJFAPSA-N 1 1 476.669 4.637 20 0 JJADMO CC(C)C[C@@H](C)Oc1cc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)ccn1 ZINC001456636110 1066653556 /nfs/dbraw/zinc/65/35/56/1066653556.db2.gz BRUZHLFNNZGNSU-VYCLJVNGSA-N 1 1 472.633 4.822 20 0 JJADMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)C1 ZINC001446135437 1066663441 /nfs/dbraw/zinc/66/34/41/1066663441.db2.gz BJCAGTLLMAJCKU-NRFANRHFSA-N 1 1 459.700 4.716 20 0 JJADMO Cc1cccnc1Cn1c(CCCc2ccccc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001492606789 1066664514 /nfs/dbraw/zinc/66/45/14/1066664514.db2.gz SOIUHWCRWVRNLB-UHFFFAOYSA-N 1 1 460.670 4.762 20 0 JJADMO Cc1ccnc(OC2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C)[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC001492606994 1066665019 /nfs/dbraw/zinc/66/50/19/1066665019.db2.gz ACUAIQQMXDCNLO-JOCHJYFZSA-N 1 1 476.669 4.847 20 0 JJADMO CC1=CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@H+](C)Cc2ccccc2)C1 ZINC001492608769 1066669800 /nfs/dbraw/zinc/66/98/00/1066669800.db2.gz HKHJQUOGLTYDKK-UHFFFAOYSA-N 1 1 469.431 4.714 20 0 JJADMO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccccc2)c1 ZINC001446186534 1066670412 /nfs/dbraw/zinc/67/04/12/1066670412.db2.gz VRSVLGVXAJXQJE-UHFFFAOYSA-N 1 1 457.983 4.763 20 0 JJADMO Cc1onc(-c2cccc(Br)c2)c1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001446190026 1066671748 /nfs/dbraw/zinc/67/17/48/1066671748.db2.gz ISZATCLLZSLRBQ-NQIIRXRSSA-N 1 1 458.331 4.727 20 0 JJADMO Cc1onc(-c2cccc(Br)c2)c1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001446190026 1066671753 /nfs/dbraw/zinc/67/17/53/1066671753.db2.gz ISZATCLLZSLRBQ-NQIIRXRSSA-N 1 1 458.331 4.727 20 0 JJADMO Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)N[C@H]3CC[N@@H+](C)[C@H]3c3ccc(F)cc3)c2)n1 ZINC001446192139 1066673333 /nfs/dbraw/zinc/67/33/33/1066673333.db2.gz FUPGPUHHODCFCV-VXKWHMMOSA-N 1 1 453.949 4.805 20 0 JJADMO Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)N[C@H]3CC[N@H+](C)[C@H]3c3ccc(F)cc3)c2)n1 ZINC001446192139 1066673341 /nfs/dbraw/zinc/67/33/41/1066673341.db2.gz FUPGPUHHODCFCV-VXKWHMMOSA-N 1 1 453.949 4.805 20 0 JJADMO C[N@H+]1CC[C@H](NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)[C@H]1c1ccc(F)cc1 ZINC001446196444 1066674093 /nfs/dbraw/zinc/67/40/93/1066674093.db2.gz SLWNANPPOMGTCV-SIKLNZKXSA-N 1 1 458.603 4.513 20 0 JJADMO C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)[C@@H]1c1ccc(F)cc1 ZINC001446196248 1066674171 /nfs/dbraw/zinc/67/41/71/1066674171.db2.gz QHNYXUYJJAAEQK-GMAHTHKFSA-N 1 1 453.558 4.689 20 0 JJADMO C[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)[C@@H]1c1ccc(F)cc1 ZINC001446196248 1066674173 /nfs/dbraw/zinc/67/41/73/1066674173.db2.gz QHNYXUYJJAAEQK-GMAHTHKFSA-N 1 1 453.558 4.689 20 0 JJADMO C[C@H](NC(=O)c1ccc2scc(Br)c2c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001456746389 1066679615 /nfs/dbraw/zinc/67/96/15/1066679615.db2.gz KKNVNYCRHRHSHE-MGPUTAFESA-N 1 1 459.409 4.683 20 0 JJADMO C[C@H](NC(=O)c1ccc2scc(Br)c2c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001456746389 1066679616 /nfs/dbraw/zinc/67/96/16/1066679616.db2.gz KKNVNYCRHRHSHE-MGPUTAFESA-N 1 1 459.409 4.683 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC=C(C)CC2)n1CCC[NH+]1CCOCC1 ZINC001492615086 1066679734 /nfs/dbraw/zinc/67/97/34/1066679734.db2.gz ZEJHLPDMGHAKKY-NRFANRHFSA-N 1 1 474.049 4.567 20 0 JJADMO C[C@H]1C[C@@H](CCNC(=O)Cc2c[nH]c3ccc(Br)cc23)C[N@H+]1Cc1ccccc1 ZINC001446263669 1066681249 /nfs/dbraw/zinc/68/12/49/1066681249.db2.gz UVBHLQBEJSZHSR-PKOBYXMFSA-N 1 1 454.412 4.890 20 0 JJADMO CC1=CCN(c2nnc(-c3ccc(F)cc3Br)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001492616246 1066683932 /nfs/dbraw/zinc/68/39/32/1066683932.db2.gz QROOSIYUDKKOQX-GOSISDBHSA-N 1 1 492.437 4.504 20 0 JJADMO Cc1cc(F)ccc1-c1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1F ZINC001446277964 1066683925 /nfs/dbraw/zinc/68/39/25/1066683925.db2.gz AZNKPXLOPGUWSC-HFZDXXHNSA-N 1 1 450.529 4.553 20 0 JJADMO O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC001446293194 1066686793 /nfs/dbraw/zinc/68/67/93/1066686793.db2.gz ZQVMDFZPHVFTAA-LATWDLLGSA-N 1 1 450.579 4.567 20 0 JJADMO O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001446293180 1066686900 /nfs/dbraw/zinc/68/69/00/1066686900.db2.gz ZQVMDFZPHVFTAA-GQHFZBACSA-N 1 1 450.579 4.567 20 0 JJADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(OC2CCCC2)c(OC)c1 ZINC001446321510 1066690383 /nfs/dbraw/zinc/69/03/83/1066690383.db2.gz GXVRKBJRVVFRSE-QFIPXVFZSA-N 1 1 452.595 4.849 20 0 JJADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1csc(Cc2cccc(F)c2)n1 ZINC001446321851 1066690482 /nfs/dbraw/zinc/69/04/82/1066690482.db2.gz IEWZFUHSGHOSOI-NRFANRHFSA-N 1 1 453.583 4.705 20 0 JJADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC001446323127 1066690543 /nfs/dbraw/zinc/69/05/43/1066690543.db2.gz MRVGIZWDJNIIOA-VWLOTQADSA-N 1 1 457.574 4.771 20 0 JJADMO Cc1cnn([C@@H]2CCCN(c3nnc([C@@H](C)Oc4cccc(C)c4C)n3CC[N@H+](C)C(C)C)C2)c1 ZINC001492620482 1066690789 /nfs/dbraw/zinc/69/07/89/1066690789.db2.gz GSSFVEWRPFKZRL-DNQXCXABSA-N 1 1 479.673 4.722 20 0 JJADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(COc2ccc(C)nc2)c1 ZINC001446326704 1066691044 /nfs/dbraw/zinc/69/10/44/1066691044.db2.gz VYSGLQGJSHHVRF-RUZDIDTESA-N 1 1 459.590 4.801 20 0 JJADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC001456816223 1066700024 /nfs/dbraw/zinc/70/00/24/1066700024.db2.gz FCMFQHIBFUFXHU-WOJBJXKFSA-N 1 1 453.974 4.713 20 0 JJADMO Cc1cc(Nc2ccc3c(c2)CCCC3)c(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c(=O)[nH]1 ZINC001446514106 1066712907 /nfs/dbraw/zinc/71/29/07/1066712907.db2.gz HRACXMMZSTWXAP-HXUWFJFHSA-N 1 1 450.627 4.816 20 0 JJADMO C[NH+](C)[C@@H](C(=O)N1CCOc2c(Cl)cc(Br)cc2C1)c1ccc(Cl)cc1 ZINC001456898545 1066716952 /nfs/dbraw/zinc/71/69/52/1066716952.db2.gz WTHQAHAWUULRCQ-QGZVFWFLSA-N 1 1 458.183 4.780 20 0 JJADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC001456930539 1066724923 /nfs/dbraw/zinc/72/49/23/1066724923.db2.gz BXVINDHYTXHEQX-HXUWFJFHSA-N 1 1 456.428 4.643 20 0 JJADMO COc1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc3c2C[N@@H+](CC(C)C)C3)c1 ZINC001446635764 1066727118 /nfs/dbraw/zinc/72/71/18/1066727118.db2.gz KBWHXDPVDQRLDW-HSZRJFAPSA-N 1 1 453.583 4.871 20 0 JJADMO Cc1csc([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[N@H+](C(C)C)CC2)n1 ZINC001492640227 1066730665 /nfs/dbraw/zinc/73/06/65/1066730665.db2.gz XPYYPOQFHLJKHH-NRFANRHFSA-N 1 1 482.698 4.963 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(C)(C)C ZINC001446716674 1066734188 /nfs/dbraw/zinc/73/41/88/1066734188.db2.gz RUXZKSNPIIGFBM-SSGKUCQKSA-N 1 1 457.659 4.733 20 0 JJADMO Cc1csc([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCC[N@H+](CC(C)C)C3)CCO2)n1 ZINC001492641903 1066735005 /nfs/dbraw/zinc/73/50/05/1066735005.db2.gz PIFNMAQRLMLWAD-RTWAWAEBSA-N 1 1 474.719 4.578 20 0 JJADMO Cc1csc([C@H]2CN(c3nnc(CC(C)(C)C)n3C[C@H]3CCC[N@H+](CC(C)C)C3)CCO2)n1 ZINC001492641900 1066735389 /nfs/dbraw/zinc/73/53/89/1066735389.db2.gz PIFNMAQRLMLWAD-LEWJYISDSA-N 1 1 474.719 4.578 20 0 JJADMO Cc1cc(-c2nc(C(=O)N(C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC(F)(F)F)co2)ccn1 ZINC001456982856 1066735632 /nfs/dbraw/zinc/73/56/32/1066735632.db2.gz JYIBPCHFWSIOAC-IBGZPJMESA-N 1 1 458.484 4.572 20 0 JJADMO CC[C@@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CCO1 ZINC001546086006 1066737998 /nfs/dbraw/zinc/73/79/98/1066737998.db2.gz XBYTVOYGUNWLMQ-VGSWGCGISA-N 1 1 496.519 4.895 20 0 JJADMO O=C(NCc1ccc(Sc2ccc(F)cc2)cc1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC001446803049 1066742261 /nfs/dbraw/zinc/74/22/61/1066742261.db2.gz CAOOVUJWRYPQAT-VWLOTQADSA-N 1 1 450.579 4.791 20 0 JJADMO Cc1csc(CN(C)c2nnc(-c3cccnc3)n2CC[N@@H+](C)Cc2ccc(F)cc2)c1 ZINC001492646321 1066749412 /nfs/dbraw/zinc/74/94/12/1066749412.db2.gz DGMSKWQNDWJBSV-UHFFFAOYSA-N 1 1 450.587 4.618 20 0 JJADMO CCCOc1ccc(C(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(OC2CCCC2)c1 ZINC001457046861 1066751102 /nfs/dbraw/zinc/75/11/02/1066751102.db2.gz APNMPEDJBQREIA-UHFFFAOYSA-N 1 1 452.599 4.602 20 0 JJADMO Cc1csc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CC[N@@H+]2CC=CCC2)c1 ZINC001492648145 1066753477 /nfs/dbraw/zinc/75/34/77/1066753477.db2.gz LBHALKIMFWHVHZ-UHFFFAOYSA-N 1 1 451.640 4.742 20 0 JJADMO CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[N@H+]2CCCC(C)(C)C2)CCO1 ZINC001546086858 1066757691 /nfs/dbraw/zinc/75/76/91/1066757691.db2.gz AAFZIUZIIVACAT-RUZDIDTESA-N 1 1 476.065 4.734 20 0 JJADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NC(C)(C)Cc3cccc(Br)c3)cc2)C[C@@H](C)O1 ZINC001457088998 1066758841 /nfs/dbraw/zinc/75/88/41/1066758841.db2.gz FILDTZTZRYOYPZ-QZTJIDSGSA-N 1 1 459.428 4.809 20 0 JJADMO CCCc1c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nnn1-c1cccc(C(C)C)c1 ZINC001457095153 1066760766 /nfs/dbraw/zinc/76/07/66/1066760766.db2.gz LJZYMVINWCKXGW-SQJMNOBHSA-N 1 1 459.638 4.984 20 0 JJADMO Cc1csc(N2CCN(c3nnc(CC(C)(C)C)n3CCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)n1 ZINC001492652906 1066761378 /nfs/dbraw/zinc/76/13/78/1066761378.db2.gz QNMQKXWVQIJZHY-OYRHEFFESA-N 1 1 487.762 4.716 20 0 JJADMO Cc1nc(Cc2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2CC[N@H+]2CCC[C@@H]2C)cs1 ZINC001492661015 1066779202 /nfs/dbraw/zinc/77/92/02/1066779202.db2.gz BJJQLFAZTRLMBT-JKSUJKDBSA-N 1 1 460.598 4.594 20 0 JJADMO Cc1nc(Cc2nnc(N(C)[C@@H](C)c3ccccc3F)n2CCCCn2cc[nH+]c2C)cs1 ZINC001492661596 1066780755 /nfs/dbraw/zinc/78/07/55/1066780755.db2.gz KDOXKUGVYRWEAC-KRWDZBQOSA-N 1 1 467.618 4.956 20 0 JJADMO Cc1nc(Cc2nnc(N(C)[C@@H](C)c3ccc(F)c(F)c3)n2CC[N@H+]2CCC[C@@H]2C)cs1 ZINC001492661648 1066780824 /nfs/dbraw/zinc/78/08/24/1066780824.db2.gz KQQAFSNDTUPFDX-HOTGVXAUSA-N 1 1 460.598 4.594 20 0 JJADMO Cc1nc(Cc2nnc(N(C)C[C@H](C)c3nccs3)n2CCC[N@H+]2CCCC[C@@H]2C)cs1 ZINC001492664487 1066785044 /nfs/dbraw/zinc/78/50/44/1066785044.db2.gz LEVYFRDEJKTVJM-ROUUACIJSA-N 1 1 473.716 4.595 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)C1 ZINC001447314076 1066790461 /nfs/dbraw/zinc/79/04/61/1066790461.db2.gz LAJOLPYTLRHWPA-BOCWGRARSA-N 1 1 477.649 4.592 20 0 JJADMO Cc1nc(Cc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001492667010 1066792885 /nfs/dbraw/zinc/79/28/85/1066792885.db2.gz QHXVQGLFOBIVMI-BGYRXZFFSA-N 1 1 496.729 4.552 20 0 JJADMO C[C@@H]1C[C@@H](NC(=O)c2cc(-c3ccc(Br)cc3)no2)CC[N@H+]1Cc1ccccc1 ZINC001457239320 1066797154 /nfs/dbraw/zinc/79/71/54/1066797154.db2.gz LRFWMDXNJREIHO-UZLBHIALSA-N 1 1 454.368 4.887 20 0 JJADMO Cc1nc(Cc2nnc(N(Cc3ccc(F)cc3)C(C)C)n2CC[N@H+]2CCC[C@H](C)C2)cs1 ZINC001492669689 1066798213 /nfs/dbraw/zinc/79/82/13/1066798213.db2.gz GYXMBRKBGJCPQK-IBGZPJMESA-N 1 1 470.662 4.920 20 0 JJADMO CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)NC(=O)OC(C)(C)C ZINC001545995677 1066808032 /nfs/dbraw/zinc/80/80/32/1066808032.db2.gz WSSIQOZMFVKECN-SJBKTWHCSA-N 1 1 488.721 4.623 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CCO[C@@H]2CCCC[C@H]2C)cs1 ZINC001492674659 1066809891 /nfs/dbraw/zinc/80/98/91/1066809891.db2.gz FRNKFPHPPYELGM-HYBUGGRVSA-N 1 1 488.746 4.786 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@H](C)COCc2ccccc2)cs1 ZINC001492677963 1066817111 /nfs/dbraw/zinc/81/71/11/1066817111.db2.gz OUPXZCHHCOGHGQ-NRFANRHFSA-N 1 1 496.725 4.797 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)cs1 ZINC001492679271 1066821249 /nfs/dbraw/zinc/82/12/49/1066821249.db2.gz YGVFAGOALBEGSI-YKSBVNFPSA-N 1 1 496.725 4.938 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H](C)Oc2ccc(Cl)cc2)cs1 ZINC001492679761 1066821879 /nfs/dbraw/zinc/82/18/79/1066821879.db2.gz PCTKJWQOPHUMQQ-SFHVURJKSA-N 1 1 489.089 4.675 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)cs1 ZINC001492679490 1066821979 /nfs/dbraw/zinc/82/19/79/1066821979.db2.gz FFNFAAAYKIKHKU-REWPJTCUSA-N 1 1 488.746 4.786 20 0 JJADMO Cc1nc(Cc2nnc(N3CC[NH+](Cc4ccsc4)CC3)n2CC(C)(C)C(C)C)cs1 ZINC001492680833 1066823218 /nfs/dbraw/zinc/82/32/18/1066823218.db2.gz BDIJOSNSNKPUCE-UHFFFAOYSA-N 1 1 458.701 4.700 20 0 JJADMO COc1ccc(C(=O)Nc2ccc(C(=O)NCC[C@H](C)[N@@H+](C)Cc3ccccc3)s2)cc1 ZINC001457421185 1066828133 /nfs/dbraw/zinc/82/81/33/1066828133.db2.gz HPSFMMANOWMFTB-SFHVURJKSA-N 1 1 451.592 4.649 20 0 JJADMO CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)c2csc(Nc3cc(F)cc(F)c3)n2)C1 ZINC001447621305 1066830464 /nfs/dbraw/zinc/83/04/64/1066830464.db2.gz YGLZEDMYUCMPNZ-UHFFFAOYSA-N 1 1 458.534 4.546 20 0 JJADMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1cnnn1-c1cccc(Cl)c1Cl ZINC001457460893 1066835888 /nfs/dbraw/zinc/83/58/88/1066835888.db2.gz RHQCDHIEBUOYRE-UHFFFAOYSA-N 1 1 451.383 4.659 20 0 JJADMO Cc1ncc(CN(C)c2nnc(CCc3ccccc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)s1 ZINC001492698584 1066852433 /nfs/dbraw/zinc/85/24/33/1066852433.db2.gz CKTUETDPDJFCDL-QFIPXVFZSA-N 1 1 452.672 4.585 20 0 JJADMO Cc1ccc(/C=C/c2cc(C(=O)NC[C@@H]3CC[N@H+](C)C3)c3cc(Br)ccc3n2)o1 ZINC001457559606 1066861241 /nfs/dbraw/zinc/86/12/41/1066861241.db2.gz RRLQCSGATUPPGB-YERXGYGTSA-N 1 1 454.368 4.751 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c(CC(C)C)nnc2N(C)Cc2cccc(Br)c2)cn1 ZINC001492703628 1066861857 /nfs/dbraw/zinc/86/18/57/1066861857.db2.gz CIKJEPOIHSHLLM-UHFFFAOYSA-N 1 1 494.441 4.813 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2ccccc2Br)nnc1N(C)CC(F)(F)F ZINC001492704438 1066863238 /nfs/dbraw/zinc/86/32/38/1066863238.db2.gz BUOJQOYEFHKCOU-UHFFFAOYSA-N 1 1 471.325 4.691 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCS[C@H](C)[C@H]2C)cc1F ZINC001492704334 1066863287 /nfs/dbraw/zinc/86/32/87/1066863287.db2.gz ZEQJIFXWHBZGNE-IAGOWNOFSA-N 1 1 456.635 4.878 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(F)(F)c1cccc(Br)c1 ZINC001457568078 1066865375 /nfs/dbraw/zinc/86/53/75/1066865375.db2.gz SULWCGBECJXOCM-IGOJGBNBSA-N 1 1 451.355 4.814 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H](C)C1 ZINC001492705190 1066866046 /nfs/dbraw/zinc/86/60/46/1066866046.db2.gz YILPKEMUAHNHMZ-FQEVSTJZSA-N 1 1 485.677 4.614 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c(N(C)Cc3cccc(OC(C)C)c3)nnc2C(C)(C)C)cn1 ZINC001492705792 1066866089 /nfs/dbraw/zinc/86/60/89/1066866089.db2.gz RFVYZAPOPMPGPG-UHFFFAOYSA-N 1 1 473.625 4.937 20 0 JJADMO C[NH+](C)Cc1ccc(NC(=O)c2nc(Br)sc2Cl)cc1Br ZINC001447827346 1066866415 /nfs/dbraw/zinc/86/64/15/1066866415.db2.gz YUCGILALTYBXNI-UHFFFAOYSA-N 1 1 453.587 4.635 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C)C1 ZINC001492706300 1066868429 /nfs/dbraw/zinc/86/84/29/1066868429.db2.gz IVZGHKXAMVCJAB-FPOVZHCZSA-N 1 1 471.650 4.572 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(Cc2c(F)cccc2F)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001492706534 1066869104 /nfs/dbraw/zinc/86/91/04/1066869104.db2.gz QPEYKPMHNUKLRA-UHFFFAOYSA-N 1 1 480.485 4.831 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001492706857 1066870021 /nfs/dbraw/zinc/87/00/21/1066870021.db2.gz CJFXUWUJEYHXKD-NRFANRHFSA-N 1 1 457.022 4.978 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001492707191 1066870064 /nfs/dbraw/zinc/87/00/64/1066870064.db2.gz NQGFEWDCHDOPPG-OYRHEFFESA-N 1 1 466.630 4.579 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001492707456 1066870845 /nfs/dbraw/zinc/87/08/45/1066870845.db2.gz WBPQDDVXJNYHAR-UHFFFAOYSA-N 1 1 457.022 4.978 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C(C)C)C1 ZINC001492707464 1066870881 /nfs/dbraw/zinc/87/08/81/1066870881.db2.gz WOJUNOXPYFXBIE-INIZCTEOSA-N 1 1 463.449 4.847 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001492707773 1066871707 /nfs/dbraw/zinc/87/17/07/1066871707.db2.gz HFURBVFBDIYJEY-FQEVSTJZSA-N 1 1 473.419 4.514 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(CC(C)(C)C)nnc1N(C)CCc1ccc(Br)cc1 ZINC001492708773 1066872212 /nfs/dbraw/zinc/87/22/12/1066872212.db2.gz LTXUFPNJKLJPRQ-UHFFFAOYSA-N 1 1 473.463 4.903 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)c1ccccc1 ZINC001492709639 1066873788 /nfs/dbraw/zinc/87/37/88/1066873788.db2.gz OYVFPMLYXRHVHF-UEVCKROQSA-N 1 1 450.631 4.989 20 0 JJADMO Cc1[nH+]ccn1CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001492709302 1066873821 /nfs/dbraw/zinc/87/38/21/1066873821.db2.gz FFVNJNFAWCTBJD-GOSISDBHSA-N 1 1 452.578 4.945 20 0 JJADMO Cc1[nH+]ccn1CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC1CC(F)(F)C1 ZINC001492709436 1066873903 /nfs/dbraw/zinc/87/39/03/1066873903.db2.gz IUQRNXQNCNRTOQ-OAHLLOKOSA-N 1 1 464.948 4.758 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001492709736 1066874523 /nfs/dbraw/zinc/87/45/23/1066874523.db2.gz SNASGFQKVNCBGH-FQEVSTJZSA-N 1 1 475.062 4.824 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2cc(F)ccc2Br)nnc1N1CCS[C@H](C(C)C)C1 ZINC001492710272 1066875230 /nfs/dbraw/zinc/87/52/30/1066875230.db2.gz JNXTZOPRUNQJEX-IBGZPJMESA-N 1 1 493.450 4.630 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001492710607 1066876201 /nfs/dbraw/zinc/87/62/01/1066876201.db2.gz VXDHFSHUEYQYHR-CQSZACIVSA-N 1 1 483.336 4.533 20 0 JJADMO Cc1[nH+]ccn1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001492711694 1066876803 /nfs/dbraw/zinc/87/68/03/1066876803.db2.gz BXLNTYUWTOYCOK-QHCPKHFHSA-N 1 1 480.657 4.611 20 0 JJADMO O=C(OCc1ccccc1)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001447921804 1066877457 /nfs/dbraw/zinc/87/74/57/1066877457.db2.gz RCQRMUNIEUOTCX-SXOMAYOGSA-N 1 1 456.586 4.685 20 0 JJADMO Cc1[nH+]ccn1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(F)(F)CC1 ZINC001492712260 1066877656 /nfs/dbraw/zinc/87/76/56/1066877656.db2.gz XDFFARCYCHLUCC-UHFFFAOYSA-N 1 1 458.557 4.595 20 0 JJADMO Cc1[nH+]ccn1CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001492712075 1066877862 /nfs/dbraw/zinc/87/78/62/1066877862.db2.gz RJUKSBBSSWKYKQ-UHFFFAOYSA-N 1 1 493.439 4.763 20 0 JJADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1cccc(F)c1)C(C)C ZINC001492712893 1066878461 /nfs/dbraw/zinc/87/84/61/1066878461.db2.gz QLTZBYXSMUNNIR-DHIUTWEWSA-N 1 1 468.621 4.956 20 0 JJADMO Cc1nn(C)c(C)c1CN(C)c1nnc(C(C)C)n1CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001492716686 1066882634 /nfs/dbraw/zinc/88/26/34/1066882634.db2.gz TYQWDFKTPIRBFB-RDPSFJRHSA-N 1 1 463.674 4.689 20 0 JJADMO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2Cl)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001492718120 1066886816 /nfs/dbraw/zinc/88/68/16/1066886816.db2.gz UDMPOQMCEHQXCX-ROUUACIJSA-N 1 1 470.065 4.706 20 0 JJADMO Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001457662419 1066892658 /nfs/dbraw/zinc/89/26/58/1066892658.db2.gz VYMOEQVDWPJXLX-WBMJQRKESA-N 1 1 459.413 4.826 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)n[nH]1)C1CC1 ZINC001448113132 1066900839 /nfs/dbraw/zinc/90/08/39/1066900839.db2.gz GCNBOQJWNNLZRI-JOCHJYFZSA-N 1 1 458.484 4.616 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)n[nH]1)C1CC1 ZINC001448113138 1066901065 /nfs/dbraw/zinc/90/10/65/1066901065.db2.gz GCNBOQJWNNLZRI-QFIPXVFZSA-N 1 1 458.484 4.616 20 0 JJADMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 ZINC001448125982 1066902437 /nfs/dbraw/zinc/90/24/37/1066902437.db2.gz SYBKJSAFRJCRRQ-QHCPKHFHSA-N 1 1 451.611 4.871 20 0 JJADMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001448126879 1066902935 /nfs/dbraw/zinc/90/29/35/1066902935.db2.gz UOJZRFHVDWDOAD-GOTSBHOMSA-N 1 1 451.611 4.798 20 0 JJADMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001448128289 1066903037 /nfs/dbraw/zinc/90/30/37/1066903037.db2.gz XHVNUZOKQWBZIU-XWGVYQGASA-N 1 1 459.675 4.933 20 0 JJADMO Cc1cc(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC001457716846 1066903719 /nfs/dbraw/zinc/90/37/19/1066903719.db2.gz LTMPKYLVELXOCY-MZYLBHOOSA-N 1 1 481.641 4.613 20 0 JJADMO C[N@H+](CCO)Cc1cc(NC(=O)c2cc3cc(Br)ccc3s2)ccc1Cl ZINC001448215300 1066909799 /nfs/dbraw/zinc/90/97/99/1066909799.db2.gz BTLPNOQLFJVWFD-UHFFFAOYSA-N 1 1 453.789 4.994 20 0 JJADMO C[N@@H+](CCO)Cc1cc(NC(=O)c2cc3cc(Br)ccc3s2)ccc1Cl ZINC001448215300 1066909810 /nfs/dbraw/zinc/90/98/10/1066909810.db2.gz BTLPNOQLFJVWFD-UHFFFAOYSA-N 1 1 453.789 4.994 20 0 JJADMO C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)Nc1ccc(Cl)c(C[N@H+](C)CCO)c1 ZINC001448225253 1066910598 /nfs/dbraw/zinc/91/05/98/1066910598.db2.gz HGYHVOPDYORPCF-LJQANCHMSA-N 1 1 452.982 4.761 20 0 JJADMO C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)Nc1ccc(Cl)c(C[N@@H+](C)CCO)c1 ZINC001448225253 1066910605 /nfs/dbraw/zinc/91/06/05/1066910605.db2.gz HGYHVOPDYORPCF-LJQANCHMSA-N 1 1 452.982 4.761 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(Cl)c(F)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC001492736145 1066910844 /nfs/dbraw/zinc/91/08/44/1066910844.db2.gz VXJVXJFQBOAQGT-JOCHJYFZSA-N 1 1 488.055 4.689 20 0 JJADMO CC[C@H](Cc1ccccc1Br)C(=O)Nc1ccc(Cl)c(C[N@H+](C)CCO)c1 ZINC001448229345 1066911193 /nfs/dbraw/zinc/91/11/93/1066911193.db2.gz QMTWXNYFWIKLBL-OAHLLOKOSA-N 1 1 453.808 4.734 20 0 JJADMO CC[C@H](Cc1ccccc1Br)C(=O)Nc1ccc(Cl)c(C[N@@H+](C)CCO)c1 ZINC001448229345 1066911208 /nfs/dbraw/zinc/91/12/08/1066911208.db2.gz QMTWXNYFWIKLBL-OAHLLOKOSA-N 1 1 453.808 4.734 20 0 JJADMO C[N@H+](CCO)Cc1cc(NC(=O)C2(c3ccc(Br)cc3)CCC2)ccc1Cl ZINC001448229414 1066911611 /nfs/dbraw/zinc/91/16/11/1066911611.db2.gz RSJAOLKNCXNHBB-UHFFFAOYSA-N 1 1 451.792 4.587 20 0 JJADMO C[N@@H+](CCO)Cc1cc(NC(=O)C2(c3ccc(Br)cc3)CCC2)ccc1Cl ZINC001448229414 1066911620 /nfs/dbraw/zinc/91/16/20/1066911620.db2.gz RSJAOLKNCXNHBB-UHFFFAOYSA-N 1 1 451.792 4.587 20 0 JJADMO O=C(Nc1cc(I)ccc1Cl)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001457754077 1066912365 /nfs/dbraw/zinc/91/23/65/1066912365.db2.gz VUTQQFYMRNPOAR-OAHLLOKOSA-N 1 1 454.739 4.795 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CC=C(C(F)(F)F)CC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492742989 1066918461 /nfs/dbraw/zinc/91/84/61/1066918461.db2.gz KMRIJXAZHIPHLT-HDICACEKSA-N 1 1 493.622 4.595 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC001448408485 1066924465 /nfs/dbraw/zinc/92/44/65/1066924465.db2.gz WHUHBZWBLBXVNB-RBZQAINGSA-N 1 1 457.659 4.688 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC001492751233 1066925935 /nfs/dbraw/zinc/92/59/35/1066925935.db2.gz VGIRZPRJUWNFNF-PMACEKPBSA-N 1 1 481.611 4.744 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492754174 1066926785 /nfs/dbraw/zinc/92/67/85/1066926785.db2.gz SCXKMNDLPZQZSM-GTNJKRJXSA-N 1 1 499.748 4.538 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492754175 1066926826 /nfs/dbraw/zinc/92/68/26/1066926826.db2.gz SCXKMNDLPZQZSM-PHVLTXCSSA-N 1 1 499.748 4.538 20 0 JJADMO CCc1ccc([C@H]2CN(C(=O)c3c(F)ccc(C(F)(F)F)c3Br)CC[NH2+]2)cc1 ZINC001448447715 1066928459 /nfs/dbraw/zinc/92/84/59/1066928459.db2.gz GCVVGTWQCDOIIN-MRXNPFEDSA-N 1 1 459.281 4.956 20 0 JJADMO CCc1ccc([C@@H]2CN(C(=O)CC3(CC(=O)Nc4nccs4)CCCCC3)CC[NH2+]2)cc1 ZINC001448454270 1066929304 /nfs/dbraw/zinc/92/93/04/1066929304.db2.gz ULVGONAXSNMUDQ-NRFANRHFSA-N 1 1 454.640 4.548 20 0 JJADMO CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001457834534 1066930590 /nfs/dbraw/zinc/93/05/90/1066930590.db2.gz QKFSKNLXPSBDLZ-WTNAPCKOSA-N 1 1 451.449 4.904 20 0 JJADMO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC001448478286 1066931022 /nfs/dbraw/zinc/93/10/22/1066931022.db2.gz DREJSKOMFCBWBC-HNNXBMFYSA-N 1 1 450.942 4.898 20 0 JJADMO Cc1c[nH+]ccc1OC1CCN(C(=O)C[C@H]2c3ccccc3CN2C(=O)OC(C)(C)C)CC1 ZINC001448536824 1066937236 /nfs/dbraw/zinc/93/72/36/1066937236.db2.gz RVIPIHLDPJYNKJ-QFIPXVFZSA-N 1 1 451.567 4.642 20 0 JJADMO C[NH+](C)[C@@H](C(=O)Nc1cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c1)c1ccccc1 ZINC001448554001 1066939483 /nfs/dbraw/zinc/93/94/83/1066939483.db2.gz WCFIGRFAQOBZCU-LJQANCHMSA-N 1 1 451.489 4.972 20 0 JJADMO Cc1nnc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CCc1nc(C(C)(C)C)cs1 ZINC001492777472 1066946959 /nfs/dbraw/zinc/94/69/59/1066946959.db2.gz XAGRYBMMXQWGMY-OAQYLSRUSA-N 1 1 452.672 4.684 20 0 JJADMO Cc1nnc(N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492785717 1066949130 /nfs/dbraw/zinc/94/91/30/1066949130.db2.gz SLWHRKPDFVIYJT-MRGHISEYSA-N 1 1 453.675 4.949 20 0 JJADMO Cc1nnc(N(C)CCOc2cccc(Cl)c2)n1C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001492786299 1066949648 /nfs/dbraw/zinc/94/96/48/1066949648.db2.gz BVYHMFILOSKHFW-XMSQKQJNSA-N 1 1 460.047 4.900 20 0 JJADMO Cc1nnc(N(C)CCCOc2ccc(F)cc2)n1C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001492786248 1066949683 /nfs/dbraw/zinc/94/96/83/1066949683.db2.gz JUNIVKJOISTCPC-XXBNENTESA-N 1 1 457.619 4.776 20 0 JJADMO Cc1nnc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001492804457 1066953541 /nfs/dbraw/zinc/95/35/41/1066953541.db2.gz YUMRSPGNYHRLDK-VWLOTQADSA-N 1 1 496.700 4.582 20 0 JJADMO C[C@H](CC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001448724629 1066953762 /nfs/dbraw/zinc/95/37/62/1066953762.db2.gz VVTLBYDCKSCCRP-ZYVVXELTSA-N 1 1 457.659 4.688 20 0 JJADMO Cc1nnc(N2CCC(OCCC(C)C)CC2)n1CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001492820853 1066954894 /nfs/dbraw/zinc/95/48/94/1066954894.db2.gz MRBNAWDFWQYJRU-WIOPSUGQSA-N 1 1 453.675 4.919 20 0 JJADMO Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001492847625 1066957644 /nfs/dbraw/zinc/95/76/44/1066957644.db2.gz KNCGBIDLEWTMBN-GHTZIAJQSA-N 1 1 465.564 4.819 20 0 JJADMO Cc1nnc(N2CCO[C@H](c3ccc(Br)cc3)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492940823 1066960773 /nfs/dbraw/zinc/96/07/73/1066960773.db2.gz DDCRILPDQIGVTQ-SVMVAKDDSA-N 1 1 490.490 4.683 20 0 JJADMO Cc1nnc(N2CCO[C@@H](c3ccccc3Br)C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001492948988 1066961781 /nfs/dbraw/zinc/96/17/81/1066961781.db2.gz OMOPHYDZLYNLKN-JOCHJYFZSA-N 1 1 476.463 4.582 20 0 JJADMO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001448848581 1066963786 /nfs/dbraw/zinc/96/37/86/1066963786.db2.gz SPHXNMFMLIDPRA-AKAGGGOCSA-N 1 1 469.670 4.829 20 0 JJADMO C[C@H]1C[C@@H](CCNC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)C[N@H+]1Cc1ccccc1 ZINC001458061096 1066964845 /nfs/dbraw/zinc/96/48/45/1066964845.db2.gz VJHUVRBPDXRCBK-AZUAARDMSA-N 1 1 453.533 4.969 20 0 JJADMO CCOC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001458068886 1066966588 /nfs/dbraw/zinc/96/65/88/1066966588.db2.gz KTJCWCPNKJOQBL-QGZVFWFLSA-N 1 1 454.752 4.912 20 0 JJADMO C[NH+](C)[C@H](C(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1)c1ccc(Cl)cc1 ZINC001448882294 1066966692 /nfs/dbraw/zinc/96/66/92/1066966692.db2.gz APPHCGZLUGUDHY-PMACEKPBSA-N 1 1 450.808 4.808 20 0 JJADMO CC[C@@H](c1nnc(N(C)[C@@H](C)CCSC)n1C[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC001545717192 1066971836 /nfs/dbraw/zinc/97/18/36/1066971836.db2.gz HLHIJJBZCLSJAY-JAXLGGSGSA-N 1 1 452.672 4.857 20 0 JJADMO CC(C)c1nc(N(C)C)nc(N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)n1 ZINC001458095622 1066973553 /nfs/dbraw/zinc/97/35/53/1066973553.db2.gz KVQOKXYMJXYYJS-UHFFFAOYSA-N 1 1 457.047 4.765 20 0 JJADMO CC[C@H](c1nnc(N(C)Cc2cc(Cl)ccn2)n1C[C@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC001545721438 1066975631 /nfs/dbraw/zinc/97/56/31/1066975631.db2.gz ACCSVRIYPSDFFS-CVDCTZTESA-N 1 1 453.034 4.847 20 0 JJADMO CC[C@H](c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1C[C@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC001545722552 1066978435 /nfs/dbraw/zinc/97/84/35/1066978435.db2.gz WIWGVQOCZIEVJM-UWJYYQICSA-N 1 1 489.590 4.691 20 0 JJADMO Cc1ccc(-c2noc([C@@H](C)NC(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)n2)cc1F ZINC001545725581 1066982247 /nfs/dbraw/zinc/98/22/47/1066982247.db2.gz YTBKYFSUPJLLHT-VQIMIIECSA-N 1 1 458.484 4.519 20 0 JJADMO CC[C@H](c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@@H](C)c1c(C)noc1C)c1ccccc1 ZINC001545725977 1066982701 /nfs/dbraw/zinc/98/27/01/1066982701.db2.gz HFORPMRPGHNQAG-YKSBVNFPSA-N 1 1 494.684 4.776 20 0 JJADMO CC[C@H](c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@@H](C)c1c(C)noc1C)c1ccccc1 ZINC001545725977 1066982710 /nfs/dbraw/zinc/98/27/10/1066982710.db2.gz HFORPMRPGHNQAG-YKSBVNFPSA-N 1 1 494.684 4.776 20 0 JJADMO CC[C@@H](c1nnc(N(CC)[C@H](C)C2CCC2)n1CC[N@@H+]1CCOCC1(C)C)c1ccccc1 ZINC001545727868 1066984710 /nfs/dbraw/zinc/98/47/10/1066984710.db2.gz AVDFCEFUEAVZAR-ZJSXRUAMSA-N 1 1 453.675 4.946 20 0 JJADMO CC[C@@H](c1nnc(N(CC)[C@H](C)C2CCC2)n1CC[N@H+]1CCOCC1(C)C)c1ccccc1 ZINC001545727868 1066984718 /nfs/dbraw/zinc/98/47/18/1066984718.db2.gz AVDFCEFUEAVZAR-ZJSXRUAMSA-N 1 1 453.675 4.946 20 0 JJADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC001449176972 1066987856 /nfs/dbraw/zinc/98/78/56/1066987856.db2.gz QHYIOVGPFWDZIN-ZVDOUQERSA-N 1 1 451.677 4.522 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)n1CCCC(F)(F)F)c1ccccc1 ZINC001545731299 1066990585 /nfs/dbraw/zinc/99/05/85/1066990585.db2.gz MPNISWYTMLSFKA-KSEOMHKRSA-N 1 1 479.591 4.710 20 0 JJADMO CC(C)(C)OC(=O)N1CCC(CCC(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)CC1 ZINC001449226720 1066990892 /nfs/dbraw/zinc/99/08/92/1066990892.db2.gz JADZERBQIWZEON-QFIPXVFZSA-N 1 1 455.599 4.654 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1C[C@@]1(O)CCCC1(C)C)c1ccccc1 ZINC001545731389 1066991171 /nfs/dbraw/zinc/99/11/71/1066991171.db2.gz NRRNIGFVHBRNTM-YBMQWUKTSA-N 1 1 453.675 4.680 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1Cc1ccc(Cl)nc1)c1ccccc1 ZINC001545731542 1066991759 /nfs/dbraw/zinc/99/17/59/1066991759.db2.gz PVNYJEOQXOYKIV-CNNODRBYSA-N 1 1 453.034 4.836 20 0 JJADMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1csc(-c2ccc(C)o2)n1 ZINC001458158326 1066992232 /nfs/dbraw/zinc/99/22/32/1066992232.db2.gz ZZGWEWSGRHZJNE-VGSWGCGISA-N 1 1 452.624 4.717 20 0 JJADMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1csc(-c2ccc(C)o2)n1 ZINC001458158326 1066992244 /nfs/dbraw/zinc/99/22/44/1066992244.db2.gz ZZGWEWSGRHZJNE-VGSWGCGISA-N 1 1 452.624 4.717 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1C[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1 ZINC001545732041 1066993173 /nfs/dbraw/zinc/99/31/73/1066993173.db2.gz WQFHMWPQQPNIFT-OQLXKQOESA-N 1 1 492.634 4.623 20 0 JJADMO CC[C@@H](c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1C[C@@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC001545733442 1066994471 /nfs/dbraw/zinc/99/44/71/1066994471.db2.gz BNJLMDOQJBWCSC-OPJGWUQDSA-N 1 1 493.618 4.692 20 0 JJADMO CC[C@]1(C)CN(c2nnc(CCc3ccc(OC)cc3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001546097766 1066997616 /nfs/dbraw/zinc/99/76/16/1066997616.db2.gz POKLHFPQPKODDU-RLPNJSHFSA-N 1 1 497.728 4.834 20 0 JJADMO CC[C@H](c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCCC(C)(C)C)c1ccccc1 ZINC001545735782 1066998792 /nfs/dbraw/zinc/99/87/92/1066998792.db2.gz GSWSETIKHBYURC-HOFKKMOUSA-N 1 1 453.675 4.947 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(C)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545735942 1066999191 /nfs/dbraw/zinc/99/91/91/1066999191.db2.gz IXCGEWPFAIMIHZ-AOHZBQACSA-N 1 1 453.675 4.944 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)[C@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001449333643 1067000665 /nfs/dbraw/zinc/00/06/65/1067000665.db2.gz UNORVMQNGYTMIN-HSZRJFAPSA-N 1 1 455.643 4.537 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2cccnc2Oc2cccc(Br)c2)C1 ZINC001449331830 1067000826 /nfs/dbraw/zinc/00/08/26/1067000826.db2.gz LVQNWVFARYTYAE-UHFFFAOYSA-N 1 1 452.352 4.593 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1Cc1cccnc1OC)c1ccccc1 ZINC001545738579 1067003011 /nfs/dbraw/zinc/00/30/11/1067003011.db2.gz KKWDDJLXVIJERB-RUZDIDTESA-N 1 1 476.669 4.829 20 0 JJADMO C[N@H+](CCC(F)(F)F)[C@H](CNC(=O)c1ccc2c(C=O)c[nH]c2c1)c1ccc(Cl)cc1 ZINC001449398245 1067006307 /nfs/dbraw/zinc/00/63/07/1067006307.db2.gz AUXOZCRJCWFZQQ-HXUWFJFHSA-N 1 1 451.876 4.989 20 0 JJADMO C[N@@H+](CCC(F)(F)F)[C@H](CNC(=O)c1ccc2c(C=O)c[nH]c2c1)c1ccc(Cl)cc1 ZINC001449398245 1067006320 /nfs/dbraw/zinc/00/63/20/1067006320.db2.gz AUXOZCRJCWFZQQ-HXUWFJFHSA-N 1 1 451.876 4.989 20 0 JJADMO C[N@H+](CCC(F)(F)F)[C@@H](CNC(=O)c1ccc2c(C=O)c[nH]c2c1)c1ccc(Cl)cc1 ZINC001449398240 1067006416 /nfs/dbraw/zinc/00/64/16/1067006416.db2.gz AUXOZCRJCWFZQQ-FQEVSTJZSA-N 1 1 451.876 4.989 20 0 JJADMO C[N@@H+](CCC(F)(F)F)[C@@H](CNC(=O)c1ccc2c(C=O)c[nH]c2c1)c1ccc(Cl)cc1 ZINC001449398240 1067006421 /nfs/dbraw/zinc/00/64/21/1067006421.db2.gz AUXOZCRJCWFZQQ-FQEVSTJZSA-N 1 1 451.876 4.989 20 0 JJADMO C[N@H+](CCC(F)(F)F)[C@@H](CNC(=O)CCc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 ZINC001449404196 1067007154 /nfs/dbraw/zinc/00/71/54/1067007154.db2.gz LIOFNDFNTBFHNW-IBGZPJMESA-N 1 1 452.908 4.891 20 0 JJADMO C[N@@H+](CCC(F)(F)F)[C@@H](CNC(=O)CCc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 ZINC001449404196 1067007166 /nfs/dbraw/zinc/00/71/66/1067007166.db2.gz LIOFNDFNTBFHNW-IBGZPJMESA-N 1 1 452.908 4.891 20 0 JJADMO CC[C@H](c1nnc(N2CCC(N3CCCCC3=O)CC2)n1CCC[N@@H+](C)C(C)C)c1ccccc1 ZINC001545741886 1067009066 /nfs/dbraw/zinc/00/90/66/1067009066.db2.gz YHCGFIHKFVHKAY-VWLOTQADSA-N 1 1 480.701 4.532 20 0 JJADMO CC[C@H](c1nnc(N2CC[C@]3(CCOC3)C2)n1CC[N@@H+](CC)CCC(F)(F)F)c1ccccc1 ZINC001545743055 1067009453 /nfs/dbraw/zinc/00/94/53/1067009453.db2.gz CTZQGHWSKRPXLY-URXFXBBRSA-N 1 1 479.591 4.711 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001545745660 1067012577 /nfs/dbraw/zinc/01/25/77/1067012577.db2.gz DUYJHVWHJQZXHI-RMTZWNOUSA-N 1 1 494.728 4.826 20 0 JJADMO CNc1ccc(C(=O)Nc2cc(Br)ccc2N2CC[N@@H+](C)C[C@@H]2C)c(Cl)c1 ZINC001449608600 1067017518 /nfs/dbraw/zinc/01/75/18/1067017518.db2.gz NIEIGNXUXMOMLE-ZDUSSCGKSA-N 1 1 451.796 4.537 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CC[N@@H+]1CC=CCC1)c1ccccc1 ZINC001545748494 1067017696 /nfs/dbraw/zinc/01/76/96/1067017696.db2.gz BFFTUXXLNICPAR-DNQXCXABSA-N 1 1 451.659 4.866 20 0 JJADMO Cc1ccc(F)c2[nH]c(C(=O)Nc3cc(Br)ccc3N3CC[N@H+](C)C[C@@H]3C)cc21 ZINC001449609642 1067017773 /nfs/dbraw/zinc/01/77/73/1067017773.db2.gz RSURTCVQGIFJQV-AWEZNQCLSA-N 1 1 459.363 4.771 20 0 JJADMO CCC[C@H]1CN(C(=O)[C@H](OC)c2ccc(Br)s2)CC[N@H+]1Cc1ccccc1 ZINC001458273331 1067017976 /nfs/dbraw/zinc/01/79/76/1067017976.db2.gz CHFZUGPKNQEWOU-FXAWDEMLSA-N 1 1 451.430 4.711 20 0 JJADMO CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001458274806 1067019054 /nfs/dbraw/zinc/01/90/54/1067019054.db2.gz HIWXLHXPHTYXGX-HSEVWJGZSA-N 1 1 452.595 4.995 20 0 JJADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 ZINC001545749558 1067020665 /nfs/dbraw/zinc/02/06/65/1067020665.db2.gz PPNBXOFKPYTTSB-NIJXNBFTSA-N 1 1 478.689 4.600 20 0 JJADMO O=S(=O)(c1cc(F)ccc1N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(F)(F)F ZINC001458283243 1067020897 /nfs/dbraw/zinc/02/08/97/1067020897.db2.gz JVBINHKRCJLCQO-QXAKKESOSA-N 1 1 456.505 4.832 20 0 JJADMO COc1ccc2c(c1)OC[C@H]2CC(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC001458283974 1067021016 /nfs/dbraw/zinc/02/10/16/1067021016.db2.gz VBVBSIBWQCTBGW-QPPBQGQZSA-N 1 1 452.595 4.980 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001449742477 1067024600 /nfs/dbraw/zinc/02/46/00/1067024600.db2.gz LBKIEANMFCVKCC-RTWAWAEBSA-N 1 1 450.023 4.600 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001449742477 1067024614 /nfs/dbraw/zinc/02/46/14/1067024614.db2.gz LBKIEANMFCVKCC-RTWAWAEBSA-N 1 1 450.023 4.600 20 0 JJADMO CC[C@H](c1nnc(N2CCCN(C(C)=O)CC2)n1CCCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC001545751697 1067025111 /nfs/dbraw/zinc/02/51/11/1067025111.db2.gz KBIDFTSRBYYGJY-BVAGGSTKSA-N 1 1 480.701 4.533 20 0 JJADMO CC[C@@H](c1nnc(N2CCCN(c3ncccc3F)CC2)n1CC[N@@H+](CC)C(C)C)c1ccccc1 ZINC001545751876 1067025379 /nfs/dbraw/zinc/02/53/79/1067025379.db2.gz NECYWNSXCOVCJF-XMMPIXPASA-N 1 1 493.675 4.801 20 0 JJADMO CC[C@H](c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545756480 1067033978 /nfs/dbraw/zinc/03/39/78/1067033978.db2.gz IPRFAQNZFMVXPP-URXFXBBRSA-N 1 1 496.700 4.655 20 0 JJADMO CC[C@H](c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001545756778 1067034345 /nfs/dbraw/zinc/03/43/45/1067034345.db2.gz OAPWAJQANBRODY-URXFXBBRSA-N 1 1 494.709 4.679 20 0 JJADMO CC[C@@H](c1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1CC[N@H+](C)[C@@H](C)CC)c1ccccc1 ZINC001545757493 1067036007 /nfs/dbraw/zinc/03/60/07/1067036007.db2.gz ZWHIRUVLRJSYPK-XUZZJYLKSA-N 1 1 496.103 4.925 20 0 JJADMO C[N@H+]1CCN(C(=O)Cc2csc(-c3cc(Br)cs3)n2)CC12CCCCC2 ZINC001449904413 1067036188 /nfs/dbraw/zinc/03/61/88/1067036188.db2.gz XATAYAFOIRPIPX-UHFFFAOYSA-N 1 1 454.459 4.654 20 0 JJADMO Cc1sc2nc(C)nc(SCC(=O)N[C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2c1C ZINC001458345673 1067036961 /nfs/dbraw/zinc/03/69/61/1067036961.db2.gz DDKYOLXPHMMABH-JXFKEZNVSA-N 1 1 454.665 4.735 20 0 JJADMO COc1ccc([C@@H](OC)[C@@H](C)NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)cc1 ZINC001458348684 1067038825 /nfs/dbraw/zinc/03/88/25/1067038825.db2.gz LBIHXCFBSFJTJU-YJECHUCRSA-N 1 1 450.623 4.826 20 0 JJADMO CC[C@H](c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@@H]1CCCSC1)c1ccccc1 ZINC001545758568 1067039300 /nfs/dbraw/zinc/03/93/00/1067039300.db2.gz JCSMXEAOBSRBDW-UPVQGACJSA-N 1 1 471.715 4.510 20 0 JJADMO CC[C@@H](c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@@H]1CC[C@H](F)C1)c1ccccc1 ZINC001545759307 1067042013 /nfs/dbraw/zinc/04/20/13/1067042013.db2.gz WDMRSBPCKAORRT-YFNKSVMNSA-N 1 1 457.638 4.505 20 0 JJADMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 ZINC001450021659 1067042403 /nfs/dbraw/zinc/04/24/03/1067042403.db2.gz OMVSJAILOYNOCK-RXVVDRJESA-N 1 1 453.435 4.790 20 0 JJADMO CC[C@@H](c1nnc(N2CC[NH+](CCOC)CC2)n1C[C@H]1CCCCC(F)(F)C1)c1ccccc1 ZINC001545759553 1067042750 /nfs/dbraw/zinc/04/27/50/1067042750.db2.gz ZLFVXXDQERVCPV-JTHBVZDNSA-N 1 1 475.628 4.804 20 0 JJADMO CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@@H+](CC)[C@@H](C)C1)Oc1cccc(F)c1 ZINC001546019107 1067045131 /nfs/dbraw/zinc/04/51/31/1067045131.db2.gz OLDSVRWKZSVYKY-IVGWJTKZSA-N 1 1 487.664 4.724 20 0 JJADMO C[C@@H]1CN(C(=O)[C@H](Oc2ccc(Br)cc2)c2ccccc2)CC[N@H+](C2CCC2)C1 ZINC001450059714 1067045895 /nfs/dbraw/zinc/04/58/95/1067045895.db2.gz DLFIOFMZICEZMT-FDDCHVKYSA-N 1 1 457.412 4.902 20 0 JJADMO CC[C@@H](c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1C[C@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC001545761791 1067045887 /nfs/dbraw/zinc/04/58/87/1067045887.db2.gz XGDRGLPIZXAQFY-HRRBBWQUSA-N 1 1 453.675 4.944 20 0 JJADMO C[C@@H]1CN(C(=O)[C@@H](Oc2ccc(Br)cc2)c2ccccc2)CC[N@H+](C2CCC2)C1 ZINC001450059738 1067046052 /nfs/dbraw/zinc/04/60/52/1067046052.db2.gz DLFIOFMZICEZMT-MBSDFSHPSA-N 1 1 457.412 4.902 20 0 JJADMO Cc1ccc(NC(=O)CSc2ccccc2C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1 ZINC001450061768 1067046080 /nfs/dbraw/zinc/04/60/80/1067046080.db2.gz HOINQOQURGURIV-FQEVSTJZSA-N 1 1 451.636 4.672 20 0 JJADMO CC[C@@H](c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC001545763304 1067046976 /nfs/dbraw/zinc/04/69/76/1067046976.db2.gz GTBBKYWMEMMRKW-JUMFHWHPSA-N 1 1 497.728 4.962 20 0 JJADMO CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001458387943 1067048516 /nfs/dbraw/zinc/04/85/16/1067048516.db2.gz QHYVGRHGCHZZPN-QGCDCVKKSA-N 1 1 454.920 4.987 20 0 JJADMO CC[C@@H](c1nnc(N2CCO[C@H](COC(C)C)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC001545764319 1067048508 /nfs/dbraw/zinc/04/85/08/1067048508.db2.gz UFFQBBYJCRKQNF-GVAUOCQISA-N 1 1 483.701 4.571 20 0 JJADMO C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)C3(Cc4cccc(Cl)c4)CC3)cc2)C[C@H]1C ZINC001458395923 1067050625 /nfs/dbraw/zinc/05/06/25/1067050625.db2.gz NOAIKPWIOOCEPY-OYRHEFFESA-N 1 1 455.042 4.988 20 0 JJADMO Cc1c(C(=O)N(Cc2ccncc2)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cnn1CCC(C)C ZINC001450131940 1067052002 /nfs/dbraw/zinc/05/20/02/1067052002.db2.gz CLECQCJIGKUZSH-AREMUKBSSA-N 1 1 459.638 4.940 20 0 JJADMO CC[C@@H](c1nnc(N2CCS[C@H](C(C)C)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1)c1ccccc1 ZINC001545766595 1067052106 /nfs/dbraw/zinc/05/21/06/1067052106.db2.gz WIUVXPXGNXJWMA-DSITVLBTSA-N 1 1 485.742 4.755 20 0 JJADMO CC[C@H](c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCC[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001545767882 1067053447 /nfs/dbraw/zinc/05/34/47/1067053447.db2.gz ISFNAPBDGHVERH-ZDXQCDESSA-N 1 1 488.671 4.575 20 0 JJADMO CCC(CC)(Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)SC ZINC001545768378 1067054251 /nfs/dbraw/zinc/05/42/51/1067054251.db2.gz UTPPKRRWSHTATH-HSZRJFAPSA-N 1 1 498.741 4.537 20 0 JJADMO CCCC[N@@H+](C)C[C@H](C)Nc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC001458415205 1067056374 /nfs/dbraw/zinc/05/63/74/1067056374.db2.gz ODELRXGTBOEQKD-IBGZPJMESA-N 1 1 453.656 4.723 20 0 JJADMO CCC(CC)(Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)OC ZINC001545771037 1067057075 /nfs/dbraw/zinc/05/70/75/1067057075.db2.gz DAYUZIDVZRSFCC-YIXXDRMTSA-N 1 1 499.700 4.541 20 0 JJADMO CCC(CC)(Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C)SC ZINC001545771580 1067058885 /nfs/dbraw/zinc/05/88/85/1067058885.db2.gz TYDAGBIQOPPJME-DOTOQJQBSA-N 1 1 481.508 4.630 20 0 JJADMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)C[C@H]1C ZINC001458431120 1067059086 /nfs/dbraw/zinc/05/90/86/1067059086.db2.gz PDDNFNCYIUNFIL-IAGOWNOFSA-N 1 1 458.400 4.565 20 0 JJADMO CCC(CC)(Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)SC ZINC001545771697 1067059902 /nfs/dbraw/zinc/05/99/02/1067059902.db2.gz XECPCJVXVJHXAX-UYAOXDASSA-N 1 1 494.105 4.514 20 0 JJADMO CCC(CC)(Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)SC ZINC001545771697 1067059918 /nfs/dbraw/zinc/05/99/18/1067059918.db2.gz XECPCJVXVJHXAX-UYAOXDASSA-N 1 1 494.105 4.514 20 0 JJADMO Cc1cc(Br)ccc1CC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458444639 1067061869 /nfs/dbraw/zinc/06/18/69/1067061869.db2.gz AJDFYQDMWPNBDW-IIBYNOLFSA-N 1 1 453.783 4.902 20 0 JJADMO Cc1ccc(C2(C(=O)NC[C@@H]3CC[N@H+](C)[C@@H]3c3ccc(Cl)c(F)c3)CCOCC2)cc1C ZINC001458445441 1067062581 /nfs/dbraw/zinc/06/25/81/1067062581.db2.gz CGVYLKKBNCABLY-GBXCKJPGSA-N 1 1 459.005 4.953 20 0 JJADMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458448250 1067063806 /nfs/dbraw/zinc/06/38/06/1067063806.db2.gz NOGCCJLWHBAHSS-UGKGYDQZSA-N 1 1 459.993 4.564 20 0 JJADMO CCC(CC)(Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)SC ZINC001545774057 1067064918 /nfs/dbraw/zinc/06/49/18/1067064918.db2.gz CIHRUFALMLQLTM-HSZRJFAPSA-N 1 1 478.106 4.821 20 0 JJADMO CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)OC ZINC001545777613 1067071638 /nfs/dbraw/zinc/07/16/38/1067071638.db2.gz HQKVDELDXSBSLL-QFIPXVFZSA-N 1 1 464.658 4.590 20 0 JJADMO Cc1cc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2Br)cn2cc[nH+]c12 ZINC001450352718 1067072668 /nfs/dbraw/zinc/07/26/68/1067072668.db2.gz OMQZDGWYIZRSEZ-KRWDZBQOSA-N 1 1 459.344 4.610 20 0 JJADMO CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)SC ZINC001545779338 1067074253 /nfs/dbraw/zinc/07/42/53/1067074253.db2.gz LQWCJTMMJKNUGG-NRFANRHFSA-N 1 1 452.672 4.906 20 0 JJADMO CCC(CC)(Cn1c(-c2cccnc2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1)SC ZINC001545779700 1067074909 /nfs/dbraw/zinc/07/49/09/1067074909.db2.gz YAQFOTVETJJFBY-UHFFFAOYSA-N 1 1 464.683 4.974 20 0 JJADMO CC(C)[C@@H](C(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001450403973 1067076762 /nfs/dbraw/zinc/07/67/62/1067076762.db2.gz HZQVVPUQKYITSQ-DGQTTZFYSA-N 1 1 456.549 4.518 20 0 JJADMO CCC(CC)(Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[N@H+](C(C)(C)C)CC1)SC ZINC001545782903 1067078218 /nfs/dbraw/zinc/07/82/18/1067078218.db2.gz ZDLNMUCLCXJJCZ-UHFFFAOYSA-N 1 1 497.713 4.826 20 0 JJADMO CCOc1ccc([C@@H](O)C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3cccc(F)c3)CC2)cc1 ZINC001450418038 1067079691 /nfs/dbraw/zinc/07/96/91/1067079691.db2.gz VCNBWKOKUBJXRT-IZZNHLLZSA-N 1 1 454.586 4.551 20 0 JJADMO CCOc1ccc([C@@H](O)C2CCN(C(=O)[C@@H]3CCCC[N@H+]3Cc3cccc(F)c3)CC2)cc1 ZINC001450418038 1067079703 /nfs/dbraw/zinc/07/97/03/1067079703.db2.gz VCNBWKOKUBJXRT-IZZNHLLZSA-N 1 1 454.586 4.551 20 0 JJADMO CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)OC ZINC001545784411 1067081002 /nfs/dbraw/zinc/08/10/02/1067081002.db2.gz SHYPTFJBUXEGBQ-UPVQGACJSA-N 1 1 475.722 4.858 20 0 JJADMO CC[C@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@@H+](C)Cc2ccccc2)CCO1 ZINC001546101732 1067081753 /nfs/dbraw/zinc/08/17/53/1067081753.db2.gz KAHNLVDNOQNPGG-PRVBGKCFSA-N 1 1 483.701 4.724 20 0 JJADMO C[NH+](C)[C@@H](C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CCO2)c1cccc(Cl)c1 ZINC001450471690 1067083372 /nfs/dbraw/zinc/08/33/72/1067083372.db2.gz RIFKXBFRWZGVGM-OAQYLSRUSA-N 1 1 459.974 4.711 20 0 JJADMO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N[C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC001458535620 1067084170 /nfs/dbraw/zinc/08/41/70/1067084170.db2.gz GNCQBBZUQZXERC-USURPYQISA-N 1 1 460.643 4.825 20 0 JJADMO C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1ccc(N2CCCCC2=O)cc1 ZINC001450541390 1067088471 /nfs/dbraw/zinc/08/84/71/1067088471.db2.gz OBUJTSLYGDVGHT-CVDCTZTESA-N 1 1 455.549 4.538 20 0 JJADMO CCC(CC)(Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C)SC ZINC001545791402 1067088986 /nfs/dbraw/zinc/08/89/86/1067088986.db2.gz QYAMJASELLNLCS-RBBKRZOGSA-N 1 1 471.715 4.667 20 0 JJADMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](Oc1ccc(F)cc1Br)c1ccccc1 ZINC001450604417 1067094345 /nfs/dbraw/zinc/09/43/45/1067094345.db2.gz GKYOOUXTOJZYFO-IIBYNOLFSA-N 1 1 451.380 4.945 20 0 JJADMO CC[C@]1(C)CN(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001546102359 1067095243 /nfs/dbraw/zinc/09/52/43/1067095243.db2.gz WXTBDWDDRTVYQY-RZIGYZOXSA-N 1 1 499.700 4.628 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC001458634041 1067099258 /nfs/dbraw/zinc/09/92/58/1067099258.db2.gz WDKQNAGOTYLPIS-VGSWGCGISA-N 1 1 456.011 4.555 20 0 JJADMO C[C@H]1[C@@H](NC(=O)CCCCC2CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001450789449 1067120943 /nfs/dbraw/zinc/12/09/43/1067120943.db2.gz JOBYHXMSEWGVQU-URXFXBBRSA-N 1 1 457.659 4.973 20 0 JJADMO C[C@@H]1[C@@H](NC(=O)[C@@H](F)CN(Cc2ccccc2)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001450801342 1067123227 /nfs/dbraw/zinc/12/32/27/1067123227.db2.gz SDIBCVDOYWYHJD-UIUQJESISA-N 1 1 459.609 4.806 20 0 JJADMO C[C@@H]1[C@H](NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001450806777 1067123908 /nfs/dbraw/zinc/12/39/08/1067123908.db2.gz WVIDEPXKJUJTCY-TZIWHRDSSA-N 1 1 454.640 4.592 20 0 JJADMO CC(C)(C)OC(=O)N1CCC(CCC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001450839103 1067130358 /nfs/dbraw/zinc/13/03/58/1067130358.db2.gz WTTDYRDUIPFMAH-XMMPIXPASA-N 1 1 457.659 4.832 20 0 JJADMO Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NC[C@H]1CCCC[N@@H+](Cc3ccccc3)C1)O2 ZINC001450846972 1067131666 /nfs/dbraw/zinc/13/16/66/1067131666.db2.gz KQYWCKDPLOZBSC-QDPGVEIFSA-N 1 1 450.623 4.820 20 0 JJADMO CCC(O)(CC)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001546028116 1067141918 /nfs/dbraw/zinc/14/19/18/1067141918.db2.gz XBFTXRBLWLNPTF-FYYLOGMGSA-N 1 1 469.674 4.594 20 0 JJADMO CCC(CC)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2ccccc2C)CC1)[NH+](C)C ZINC001545814536 1067142502 /nfs/dbraw/zinc/14/25/02/1067142502.db2.gz CKQLZEGGBDYADJ-CLJLJLNGSA-N 1 1 482.717 4.517 20 0 JJADMO Nc1cc(C(F)(F)F)ccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001451122525 1067147456 /nfs/dbraw/zinc/14/74/56/1067147456.db2.gz YTNWZAKFKBDXEV-JTHBVZDNSA-N 1 1 457.471 4.825 20 0 JJADMO CCC(CC)[C@H](Cn1c(N2CCC(C(=O)c3ccccc3)CC2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001545819928 1067156527 /nfs/dbraw/zinc/15/65/27/1067156527.db2.gz OWJTVKRPSXSHMH-VWLOTQADSA-N 1 1 495.712 4.812 20 0 JJADMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)C1 ZINC001451357292 1067161228 /nfs/dbraw/zinc/16/12/28/1067161228.db2.gz SOJIVTAFVYKXGU-QGZVFWFLSA-N 1 1 453.384 4.614 20 0 JJADMO C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001458833556 1067162526 /nfs/dbraw/zinc/16/25/26/1067162526.db2.gz CDZPJLWENDIHNA-IJIGOTOKSA-N 1 1 458.046 4.504 20 0 JJADMO CCC(CC)c1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[N@H+](C(C)C)CC2)on1 ZINC001545823211 1067165640 /nfs/dbraw/zinc/16/56/40/1067165640.db2.gz DUFWNHYBDVRXTH-UHFFFAOYSA-N 1 1 472.037 4.854 20 0 JJADMO CCC(O)(CC)Cn1c(-c2cccc(C)n2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001546031322 1067172639 /nfs/dbraw/zinc/17/26/39/1067172639.db2.gz CSDLNMKILLFXCW-JOCHJYFZSA-N 1 1 468.690 4.681 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCc3ccccc32)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001545829549 1067179918 /nfs/dbraw/zinc/17/99/18/1067179918.db2.gz AAXIOCTWLYERKY-PXDATVDWSA-N 1 1 480.701 4.688 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001545829731 1067180511 /nfs/dbraw/zinc/18/05/11/1067180511.db2.gz FFKXTROVZCPCHT-XMSQKQJNSA-N 1 1 495.647 4.893 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545830407 1067181784 /nfs/dbraw/zinc/18/17/84/1067181784.db2.gz UFQJIHGUOSTEFK-NNXSRULWSA-N 1 1 460.711 4.579 20 0 JJADMO CCCc1c(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)nnn1-c1cccc(C(C)C)c1 ZINC001458875533 1067182318 /nfs/dbraw/zinc/18/23/18/1067182318.db2.gz NBJZARDDQAYFRP-UHFFFAOYSA-N 1 1 452.628 4.819 20 0 JJADMO CCCc1c(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)nnn1-c1cccc(C(C)C)c1 ZINC001458875533 1067182323 /nfs/dbraw/zinc/18/23/23/1067182323.db2.gz NBJZARDDQAYFRP-UHFFFAOYSA-N 1 1 452.628 4.819 20 0 JJADMO CCCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)c(OCCC)c1 ZINC001458879149 1067184418 /nfs/dbraw/zinc/18/44/18/1067184418.db2.gz RGBDSCLDWTVIAK-JWQCQUIFSA-N 1 1 459.675 4.673 20 0 JJADMO CN(C(=O)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001458881049 1067184857 /nfs/dbraw/zinc/18/48/57/1067184857.db2.gz UUCAJXTWYBJUHE-MHHVOYGZSA-N 1 1 450.042 4.768 20 0 JJADMO Cc1cc2cc(C(=O)NC[C@@H]3CSCC[N@@H+]3Cc3ccccc3)oc2c(Br)c1 ZINC001458918049 1067196442 /nfs/dbraw/zinc/19/64/42/1067196442.db2.gz ZRZPPAKZEGAHHP-GOSISDBHSA-N 1 1 459.409 4.851 20 0 JJADMO Cc1cc2cc(C(=O)NC[C@@H]3CSCC[N@H+]3Cc3ccccc3)oc2c(Br)c1 ZINC001458918049 1067196449 /nfs/dbraw/zinc/19/64/49/1067196449.db2.gz ZRZPPAKZEGAHHP-GOSISDBHSA-N 1 1 459.409 4.851 20 0 JJADMO O=C(NCc1c(F)c(F)c(Br)c(F)c1F)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001452030990 1067204802 /nfs/dbraw/zinc/20/48/02/1067204802.db2.gz RQYGXCYEWQRKLJ-AWEZNQCLSA-N 1 1 459.281 4.676 20 0 JJADMO O=C(NCc1c(F)c(F)c(Br)c(F)c1F)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001452030990 1067204812 /nfs/dbraw/zinc/20/48/12/1067204812.db2.gz RQYGXCYEWQRKLJ-AWEZNQCLSA-N 1 1 459.281 4.676 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1C[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001545849949 1067204677 /nfs/dbraw/zinc/20/46/77/1067204677.db2.gz XAUYDSPBKYTWPH-TYBLODHISA-N 1 1 480.701 4.516 20 0 JJADMO Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC001452173021 1067212216 /nfs/dbraw/zinc/21/22/16/1067212216.db2.gz BHJCFLGKHMEIBX-GCJKJVERSA-N 1 1 451.954 4.569 20 0 JJADMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cc(F)c(Oc2ccccc2)c(F)c1 ZINC001458970697 1067213285 /nfs/dbraw/zinc/21/32/85/1067213285.db2.gz CXHMRCYAHRIOQH-JOCHJYFZSA-N 1 1 452.501 4.778 20 0 JJADMO Cc1cc(C(C)(C)C)ccc1OCCCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001458975571 1067214806 /nfs/dbraw/zinc/21/48/06/1067214806.db2.gz TUKDRMPVRRSHEN-RUZDIDTESA-N 1 1 452.639 4.859 20 0 JJADMO O=C(NOCc1ccc(C(F)(F)F)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001546039122 1067226367 /nfs/dbraw/zinc/22/63/67/1067226367.db2.gz NAZOVSPKTNXQAG-XZOQPEGZSA-N 1 1 455.480 4.564 20 0 JJADMO CN(C)C(=O)Nc1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)c(Cl)c1 ZINC001459071478 1067244257 /nfs/dbraw/zinc/24/42/57/1067244257.db2.gz JNALPZLITIQJEW-UHFFFAOYSA-N 1 1 453.768 4.510 20 0 JJADMO CC1(C)[C@@H](NC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)C[C@@H]1[NH+]1CCOCC1 ZINC001452725576 1067246670 /nfs/dbraw/zinc/24/66/70/1067246670.db2.gz IYBARYAJHISTCP-OALUTQOASA-N 1 1 454.514 4.543 20 0 JJADMO CCC(O)(CC)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001546043664 1067249548 /nfs/dbraw/zinc/24/95/48/1067249548.db2.gz ZUKJVXYZGJZBQU-CJRSTVEYSA-N 1 1 489.749 4.839 20 0 JJADMO COc1ccc(CN(C(=O)Cn2c[nH+]c3c2C[C@H](C)[C@H](C)C3)[C@@H](C)Cc2cccs2)cc1 ZINC001459108295 1067252153 /nfs/dbraw/zinc/25/21/53/1067252153.db2.gz WUBGNETWUBMRQP-AABGKKOBSA-N 1 1 451.636 4.984 20 0 JJADMO O=C(OCc1ccccc1)[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001459116196 1067253454 /nfs/dbraw/zinc/25/34/54/1067253454.db2.gz UREMIZJFNYIAMI-RRPNLBNLSA-N 1 1 456.586 4.542 20 0 JJADMO CC[N@@H+](CCCNC(=O)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2)C1CCCCC1 ZINC001452894240 1067260648 /nfs/dbraw/zinc/26/06/48/1067260648.db2.gz MIUAZMCQANVCPE-UHFFFAOYSA-N 1 1 457.659 4.683 20 0 JJADMO C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)cc1 ZINC001452980644 1067270541 /nfs/dbraw/zinc/27/05/41/1067270541.db2.gz YMEJVWGOLWNKSG-YKSBVNFPSA-N 1 1 451.611 4.661 20 0 JJADMO C[N@@H+](Cc1ccc2nc(NC(=O)c3coc(CNC(=O)OC(C)(C)C)c3)sc2c1)C1CC1 ZINC001453112565 1067279190 /nfs/dbraw/zinc/27/91/90/1067279190.db2.gz RUTDUFCIXVSSGU-UHFFFAOYSA-N 1 1 456.568 4.761 20 0 JJADMO CCN(C(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1)[C@H]1CC[N@@H+](CC)C1 ZINC001453178789 1067287436 /nfs/dbraw/zinc/28/74/36/1067287436.db2.gz PEXUVBZFEYLUMM-FQEVSTJZSA-N 1 1 457.500 4.509 20 0 JJADMO COc1cc(Cl)c(Br)cc1C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001459316863 1067292778 /nfs/dbraw/zinc/29/27/78/1067292778.db2.gz UZPRUSICTQNPMJ-IBGZPJMESA-N 1 1 451.792 4.752 20 0 JJADMO C[C@@H](C(=O)N(C)Cc1nc2ccc(C(F)(F)F)cc2[nH]1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001453273277 1067292908 /nfs/dbraw/zinc/29/29/08/1067292908.db2.gz YAAJLBQXZTVKPW-KRWDZBQOSA-N 1 1 458.528 4.883 20 0 JJADMO COc1ccc([C@@H]2CCCN2C(=O)C[NH+]2CCC(Oc3cc(C)ccc3C)CC2)c(OC)c1 ZINC001459344537 1067298900 /nfs/dbraw/zinc/29/89/00/1067298900.db2.gz MEMJMTIOGYVVBY-DEOSSOPVSA-N 1 1 452.595 4.528 20 0 JJADMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O ZINC001453342408 1067299519 /nfs/dbraw/zinc/29/95/19/1067299519.db2.gz UXSFYEWKDYHFMW-HNNXBMFYSA-N 1 1 450.366 4.554 20 0 JJADMO FC(F)(F)COc1cccc(C[N@@H+]2CCCN(c3nccs3)CC2)c1Br ZINC001459354413 1067301583 /nfs/dbraw/zinc/30/15/83/1067301583.db2.gz MXDGJQHGWVFUGX-UHFFFAOYSA-N 1 1 450.324 4.559 20 0 JJADMO FC(F)(F)COc1cccc(C[N@H+]2CCCN(c3nccs3)CC2)c1Br ZINC001459354413 1067301592 /nfs/dbraw/zinc/30/15/92/1067301592.db2.gz MXDGJQHGWVFUGX-UHFFFAOYSA-N 1 1 450.324 4.559 20 0 JJADMO CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(NC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)cc2)C1 ZINC001453394971 1067303189 /nfs/dbraw/zinc/30/31/89/1067303189.db2.gz GBLDHGUMHTWALG-DHIUTWEWSA-N 1 1 457.615 4.731 20 0 JJADMO Cc1ccc(C[N@H+]2CCCN(C(=O)CN(Cc3ccccc3)Cc3ccccc3F)CC2)cc1 ZINC001459361525 1067303470 /nfs/dbraw/zinc/30/34/70/1067303470.db2.gz HHJRXRFQLYDUNF-UHFFFAOYSA-N 1 1 459.609 4.871 20 0 JJADMO COCC[N@H+](CC(=O)N[C@H](C)Cc1c(F)cccc1F)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001459373358 1067306379 /nfs/dbraw/zinc/30/63/79/1067306379.db2.gz BEOAVSMRQLMKAD-HZPDHXFCSA-N 1 1 458.471 4.740 20 0 JJADMO COCC[N@@H+](CC(=O)N[C@H](C)Cc1c(F)cccc1F)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001459373358 1067306391 /nfs/dbraw/zinc/30/63/91/1067306391.db2.gz BEOAVSMRQLMKAD-HZPDHXFCSA-N 1 1 458.471 4.740 20 0 JJADMO CC(C)[C@@H]1CN(C(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001453490771 1067308796 /nfs/dbraw/zinc/30/87/96/1067308796.db2.gz CSDCYDQGYORASY-DEOSSOPVSA-N 1 1 451.611 4.797 20 0 JJADMO CC(C)[C@@H]1CN(C(=O)C2(N(C(=O)OC(C)(C)C)C3CC3)CCC2)CC[N@H+]1Cc1ccccc1 ZINC001453502475 1067309869 /nfs/dbraw/zinc/30/98/69/1067309869.db2.gz XERZLYDLTAUXRO-QHCPKHFHSA-N 1 1 455.643 4.678 20 0 JJADMO CC(C)[C@H]1CN(C(=O)Cn2c3ccccc3nc2SC(F)F)CC[N@H+]1Cc1ccccc1 ZINC001453498380 1067310098 /nfs/dbraw/zinc/31/00/98/1067310098.db2.gz SVNCYKFYAUVAJW-OAQYLSRUSA-N 1 1 458.578 4.720 20 0 JJADMO COCc1ccccc1CNC(=O)C[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC001459392049 1067311418 /nfs/dbraw/zinc/31/14/18/1067311418.db2.gz LBRVZVJNASGKDB-JXALWOEJSA-N 1 1 452.595 4.505 20 0 JJADMO Cc1ccc(C[C@@H]2CCC[N@H+](CC(=O)N3c4ccccc4NC(=O)C[C@H]3C(F)(F)F)C2)cc1 ZINC001459393560 1067312109 /nfs/dbraw/zinc/31/21/09/1067312109.db2.gz OFHHSRFBJXVGFR-UGKGYDQZSA-N 1 1 459.512 4.556 20 0 JJADMO Cc1ccc(C[C@@H]2CCC[N@@H+](CC(=O)N3c4ccccc4NC(=O)C[C@H]3C(F)(F)F)C2)cc1 ZINC001459393560 1067312119 /nfs/dbraw/zinc/31/21/19/1067312119.db2.gz OFHHSRFBJXVGFR-UGKGYDQZSA-N 1 1 459.512 4.556 20 0 JJADMO C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+](C)CCc1cccc2ccccc21 ZINC001459396670 1067313400 /nfs/dbraw/zinc/31/34/00/1067313400.db2.gz STNTYRMUCGSZRL-MRXNPFEDSA-N 1 1 458.343 4.946 20 0 JJADMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC001459407593 1067314671 /nfs/dbraw/zinc/31/46/71/1067314671.db2.gz URBQICOXKXHQGC-XUZZJYLKSA-N 1 1 451.611 4.988 20 0 JJADMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC001459407593 1067314685 /nfs/dbraw/zinc/31/46/85/1067314685.db2.gz URBQICOXKXHQGC-XUZZJYLKSA-N 1 1 451.611 4.988 20 0 JJADMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC001459407597 1067314759 /nfs/dbraw/zinc/31/47/59/1067314759.db2.gz URBQICOXKXHQGC-ZJSXRUAMSA-N 1 1 451.611 4.988 20 0 JJADMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC001459407597 1067314776 /nfs/dbraw/zinc/31/47/76/1067314776.db2.gz URBQICOXKXHQGC-ZJSXRUAMSA-N 1 1 451.611 4.988 20 0 JJADMO Cc1cc(C(=O)NC2CC[NH+](CC(=O)N[C@@H](CC(C)(C)C)c3ccc(F)cc3)CC2)c(C)o1 ZINC001459411765 1067316872 /nfs/dbraw/zinc/31/68/72/1067316872.db2.gz ATJQXEJISMSAML-QHCPKHFHSA-N 1 1 457.590 4.523 20 0 JJADMO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+](C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC001459413763 1067317947 /nfs/dbraw/zinc/31/79/47/1067317947.db2.gz GUGYBYBKWKIISL-FQEVSTJZSA-N 1 1 451.592 4.563 20 0 JJADMO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC001459413763 1067317959 /nfs/dbraw/zinc/31/79/59/1067317959.db2.gz GUGYBYBKWKIISL-FQEVSTJZSA-N 1 1 451.592 4.563 20 0 JJADMO CCOC(=O)c1c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(OC)c(C)c2)sc2c1CC[C@@H](C)C2 ZINC001459436389 1067324950 /nfs/dbraw/zinc/32/49/50/1067324950.db2.gz HQJCBVHNKCWYNG-NVXWUHKLSA-N 1 1 458.624 4.826 20 0 JJADMO CCOC(=O)c1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(OC)c(C)c2)sc2c1CC[C@@H](C)C2 ZINC001459436389 1067324960 /nfs/dbraw/zinc/32/49/60/1067324960.db2.gz HQJCBVHNKCWYNG-NVXWUHKLSA-N 1 1 458.624 4.826 20 0 JJADMO CCOC(=O)c1ccc2c(c1)nc(C[NH+]1CCC([C@H](O)c3ccc(Cl)cc3)CC1)n2CC ZINC001459453607 1067327190 /nfs/dbraw/zinc/32/71/90/1067327190.db2.gz IXEPLIKUFZMKDA-XMMPIXPASA-N 1 1 455.986 4.832 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H]([N@H+](CC(=O)Nc2ccc(Cl)nc2)Cc2ccccc2)C1 ZINC001459458507 1067328690 /nfs/dbraw/zinc/32/86/90/1067328690.db2.gz PMCDKWXCUUDNLD-HXUWFJFHSA-N 1 1 458.990 4.575 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H]([N@@H+](CC(=O)Nc2ccc(Cl)nc2)Cc2ccccc2)C1 ZINC001459458507 1067328704 /nfs/dbraw/zinc/32/87/04/1067328704.db2.gz PMCDKWXCUUDNLD-HXUWFJFHSA-N 1 1 458.990 4.575 20 0 JJADMO C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC001459458961 1067329071 /nfs/dbraw/zinc/32/90/71/1067329071.db2.gz VGTCZKUHDGRWEQ-VBKZILBWSA-N 1 1 451.792 4.875 20 0 JJADMO CN(C[C@H]1CC[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1)C(=O)OC(C)(C)C ZINC001459474682 1067334332 /nfs/dbraw/zinc/33/43/32/1067334332.db2.gz HOSUYVHMKDQZAK-OAHLLOKOSA-N 1 1 450.377 4.793 20 0 JJADMO CN(C[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1)C(=O)OC(C)(C)C ZINC001459474682 1067334341 /nfs/dbraw/zinc/33/43/41/1067334341.db2.gz HOSUYVHMKDQZAK-OAHLLOKOSA-N 1 1 450.377 4.793 20 0 JJADMO C[N@@H+](C[C@H](O)COc1ccccc1C(F)(F)F)C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001459473904 1067334435 /nfs/dbraw/zinc/33/44/35/1067334435.db2.gz HCXQWSYNQAUNST-TWOQFEAHSA-N 1 1 463.418 4.559 20 0 JJADMO C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001459476076 1067334797 /nfs/dbraw/zinc/33/47/97/1067334797.db2.gz LEUCPALDLHTSJR-VQTJNVASSA-N 1 1 453.583 4.995 20 0 JJADMO C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001459476076 1067334810 /nfs/dbraw/zinc/33/48/10/1067334810.db2.gz LEUCPALDLHTSJR-VQTJNVASSA-N 1 1 453.583 4.995 20 0 JJADMO CN(C[C@@H]1CC[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1)C(=O)OC(C)(C)C ZINC001459478373 1067335326 /nfs/dbraw/zinc/33/53/26/1067335326.db2.gz NTKVVIQTCVINFO-HNNXBMFYSA-N 1 1 450.377 4.793 20 0 JJADMO CN(C[C@@H]1CC[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1)C(=O)OC(C)(C)C ZINC001459478373 1067335330 /nfs/dbraw/zinc/33/53/30/1067335330.db2.gz NTKVVIQTCVINFO-HNNXBMFYSA-N 1 1 450.377 4.793 20 0 JJADMO C[N@@H+](C[C@H](O)COc1ccc(C(F)(F)F)cc1)C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001459484891 1067336680 /nfs/dbraw/zinc/33/66/80/1067336680.db2.gz JKFGXYFCFAVWGO-RIFZZMRRSA-N 1 1 463.418 4.559 20 0 JJADMO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+](C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001459496214 1067338877 /nfs/dbraw/zinc/33/88/77/1067338877.db2.gz ZSJBZPIOGFZYEX-CXAGYDPISA-N 1 1 455.864 4.842 20 0 JJADMO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+](C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001459496214 1067338890 /nfs/dbraw/zinc/33/88/90/1067338890.db2.gz ZSJBZPIOGFZYEX-CXAGYDPISA-N 1 1 455.864 4.842 20 0 JJADMO C[N@@H+](CCN1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1)Cc1ccccc1 ZINC001459526193 1067344480 /nfs/dbraw/zinc/34/44/80/1067344480.db2.gz XVRQQECLKLELCU-NRFANRHFSA-N 1 1 455.400 4.692 20 0 JJADMO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC001459529086 1067345870 /nfs/dbraw/zinc/34/58/70/1067345870.db2.gz RUMGXVXVFHPEAI-QGZVFWFLSA-N 1 1 454.412 4.641 20 0 JJADMO O=C(CC[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1)Nc1ccc(Br)cc1F ZINC001459535297 1067346953 /nfs/dbraw/zinc/34/69/53/1067346953.db2.gz ASDNCBONUCFXNE-HNNXBMFYSA-N 1 1 451.311 4.651 20 0 JJADMO O=C(CC[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)Nc1ccc(Br)cc1F ZINC001459535302 1067347284 /nfs/dbraw/zinc/34/72/84/1067347284.db2.gz ASDNCBONUCFXNE-OAHLLOKOSA-N 1 1 451.311 4.651 20 0 JJADMO CC[N@H+](CCOc1ccc(Br)cc1)CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC001459568698 1067354366 /nfs/dbraw/zinc/35/43/66/1067354366.db2.gz GPOXENXNIWGTLG-OAHLLOKOSA-N 1 1 455.343 4.648 20 0 JJADMO CC[N@@H+](CCOc1ccc(Br)cc1)CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC001459568698 1067354375 /nfs/dbraw/zinc/35/43/75/1067354375.db2.gz GPOXENXNIWGTLG-OAHLLOKOSA-N 1 1 455.343 4.648 20 0 JJADMO CCC[N@@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC001459574300 1067355251 /nfs/dbraw/zinc/35/52/51/1067355251.db2.gz DWHRILHEANXWSS-DQEYMECFSA-N 1 1 457.659 4.692 20 0 JJADMO C[N@@H+](C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@@H]1CCSc2ccc(Br)cc21 ZINC001459580462 1067356284 /nfs/dbraw/zinc/35/62/84/1067356284.db2.gz DMBJAIZLIJIKAV-DOTOQJQBSA-N 1 1 457.434 4.554 20 0 JJADMO C[N@@H+](Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001459584158 1067357415 /nfs/dbraw/zinc/35/74/15/1067357415.db2.gz QVSPVBOXVWSITA-UHFFFAOYSA-N 1 1 454.493 4.622 20 0 JJADMO COc1ccc(-c2nc(C)c(C(=O)N3CCC(Oc4cc[nH+]cc4C)CC3)s2)cc1OC ZINC001459596859 1067360415 /nfs/dbraw/zinc/36/04/15/1067360415.db2.gz WXSUNCVMNRIJSO-UHFFFAOYSA-N 1 1 453.564 4.523 20 0 JJADMO C[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@@H]1CNC(=O)OC(C)(C)C ZINC001459607289 1067361808 /nfs/dbraw/zinc/36/18/08/1067361808.db2.gz HZPPHOQPSZQQQQ-DNVCBOLYSA-N 1 1 458.430 4.577 20 0 JJADMO C[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@@H]1CNC(=O)OC(C)(C)C ZINC001459607289 1067361820 /nfs/dbraw/zinc/36/18/20/1067361820.db2.gz HZPPHOQPSZQQQQ-DNVCBOLYSA-N 1 1 458.430 4.577 20 0 JJADMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1OC ZINC001459610427 1067363213 /nfs/dbraw/zinc/36/32/13/1067363213.db2.gz APJCTOYAPXYRDU-WMLDXEAASA-N 1 1 453.366 4.881 20 0 JJADMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1OC ZINC001459610427 1067363222 /nfs/dbraw/zinc/36/32/22/1067363222.db2.gz APJCTOYAPXYRDU-WMLDXEAASA-N 1 1 453.366 4.881 20 0 JJADMO O=C(C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1)NCc1ccc(F)cc1C(F)(F)F ZINC001459611790 1067363778 /nfs/dbraw/zinc/36/37/78/1067363778.db2.gz YHYUYFBBTVGMRJ-HKUYNNGSSA-N 1 1 458.521 4.891 20 0 JJADMO CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2cc(-c3cc(C)ccc3C)nn2-c2ccccc2)C[C@@H]1C ZINC001459613034 1067364363 /nfs/dbraw/zinc/36/43/63/1067364363.db2.gz JJBCXRGUPHPFFY-UPVQGACJSA-N 1 1 459.638 4.899 20 0 JJADMO Cc1nc(-c2cc(Cl)ccc2Cl)sc1C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001459618832 1067365702 /nfs/dbraw/zinc/36/57/02/1067365702.db2.gz RNTVCIBIEYTZQJ-CYBMUJFWSA-N 1 1 454.423 4.751 20 0 JJADMO Cc1nc(-c2cc(Cl)ccc2Cl)sc1C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001459618832 1067365713 /nfs/dbraw/zinc/36/57/13/1067365713.db2.gz RNTVCIBIEYTZQJ-CYBMUJFWSA-N 1 1 454.423 4.751 20 0 JJADMO COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@H+]2CC[C@@H](Cc3ccccc3)[C@H]2C)cc1 ZINC001459628482 1067368332 /nfs/dbraw/zinc/36/83/32/1067368332.db2.gz GSWQTQJRMARAIA-IRLDBZIGSA-N 1 1 457.574 4.839 20 0 JJADMO CN(C[C@@H]1CCC[N@H+]1Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2)C(=O)OC(C)(C)C ZINC001459634004 1067369298 /nfs/dbraw/zinc/36/92/98/1067369298.db2.gz DZDQYUOEARPEKU-NRFANRHFSA-N 1 1 459.631 4.811 20 0 JJADMO O=C(C[N@H+](Cc1ccccc1)C[C@H](O)c1cccs1)Nc1ccc(OC(F)(F)F)cc1 ZINC001459647564 1067371403 /nfs/dbraw/zinc/37/14/03/1067371403.db2.gz JXCIDZLTIMFOEM-IBGZPJMESA-N 1 1 450.482 4.821 20 0 JJADMO O=C(C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccs1)Nc1ccc(OC(F)(F)F)cc1 ZINC001459647564 1067371415 /nfs/dbraw/zinc/37/14/15/1067371415.db2.gz JXCIDZLTIMFOEM-IBGZPJMESA-N 1 1 450.482 4.821 20 0 JJADMO COc1cc(C)c([C@H](C)NC(=O)C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)cc1OC ZINC001459668484 1067377396 /nfs/dbraw/zinc/37/73/96/1067377396.db2.gz HIEAUNUXGBUZQT-BGWNEDDSSA-N 1 1 454.611 4.558 20 0 JJADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001459668476 1067377494 /nfs/dbraw/zinc/37/74/94/1067377494.db2.gz HFUBJRNMRLICNO-REWPJTCUSA-N 1 1 451.659 4.793 20 0 JJADMO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC001459682709 1067382018 /nfs/dbraw/zinc/38/20/18/1067382018.db2.gz STGOCMWDBOYWCK-OAHLLOKOSA-N 1 1 454.596 4.570 20 0 JJADMO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@H+]1CCCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001459685118 1067383003 /nfs/dbraw/zinc/38/30/03/1067383003.db2.gz KSCGQEXEAFYWRX-XRXFAXGQSA-N 1 1 451.652 4.743 20 0 JJADMO Cc1ccc(CN(C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)cc1 ZINC001459687411 1067383880 /nfs/dbraw/zinc/38/38/80/1067383880.db2.gz PUQMHQVPYDKXRA-RPWUZVMVSA-N 1 1 455.643 4.740 20 0 JJADMO CC[C@@H](C)[N@@H+](CCC(=O)Nc1cccc(Br)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC001459690859 1067385011 /nfs/dbraw/zinc/38/50/11/1067385011.db2.gz ALWJKQLDBKPTQK-OAHLLOKOSA-N 1 1 457.372 4.727 20 0 JJADMO CCCN(C(=O)c1cccs1)C1CC[NH+](CC(=O)N(CC)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001459693788 1067386032 /nfs/dbraw/zinc/38/60/32/1067386032.db2.gz IEKLOVWIFJEKCZ-IBGZPJMESA-N 1 1 459.631 4.814 20 0 JJADMO C[C@H](c1ccc(Br)cc1)[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC001459699950 1067387822 /nfs/dbraw/zinc/38/78/22/1067387822.db2.gz JJJGRDBJAXXNGT-CABCVRRESA-N 1 1 457.368 4.824 20 0 JJADMO Cc1cccc(C[N@@H+](Cc2ccccn2)C[C@@]2(O)CCCN(C(=O)OCc3ccccc3)C2)c1 ZINC001459707479 1067389940 /nfs/dbraw/zinc/38/99/40/1067389940.db2.gz ORXWJJFZXUTRRR-NDEPHWFRSA-N 1 1 459.590 4.556 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001459710093 1067391400 /nfs/dbraw/zinc/39/14/00/1067391400.db2.gz XYJNJZCWYGUURN-AZSVPQILSA-N 1 1 457.659 4.879 20 0 JJADMO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC001459712340 1067391893 /nfs/dbraw/zinc/39/18/93/1067391893.db2.gz BJVHNDBEFGPQPL-HOCLYGCPSA-N 1 1 458.921 4.744 20 0 JJADMO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC001459712340 1067391903 /nfs/dbraw/zinc/39/19/03/1067391903.db2.gz BJVHNDBEFGPQPL-HOCLYGCPSA-N 1 1 458.921 4.744 20 0 JJADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 ZINC001459711881 1067392142 /nfs/dbraw/zinc/39/21/42/1067392142.db2.gz YYLAIJYDTZTHID-HNNXBMFYSA-N 1 1 454.514 4.639 20 0 JJADMO CCOC(=O)c1cc(C)sc1NC(=O)C[NH2+][C@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC001459716175 1067393590 /nfs/dbraw/zinc/39/35/90/1067393590.db2.gz GGHZYXSXWMVRQN-JOCHJYFZSA-N 1 1 456.539 4.699 20 0 JJADMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1 ZINC001459724844 1067396787 /nfs/dbraw/zinc/39/67/87/1067396787.db2.gz ZBOIRNSUQKUVPT-CMCWBKRRSA-N 1 1 457.659 4.756 20 0 JJADMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1 ZINC001459724849 1067396817 /nfs/dbraw/zinc/39/68/17/1067396817.db2.gz ZBOIRNSUQKUVPT-VKDGWMQASA-N 1 1 457.659 4.756 20 0 JJADMO C[N@@H+](CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)CCC(=O)N1CCc2sccc2C1 ZINC001459734768 1067399281 /nfs/dbraw/zinc/39/92/81/1067399281.db2.gz NLPROQXVFGXBOW-UHFFFAOYSA-N 1 1 454.615 4.897 20 0 JJADMO COCc1cccc(OCC2(C[N@H+]3CCC[C@@H](C(=O)Nc4ccc(Cl)cn4)C3)CCC2)c1 ZINC001459740307 1067400848 /nfs/dbraw/zinc/40/08/48/1067400848.db2.gz GVKZFBFSNRGJPF-HXUWFJFHSA-N 1 1 458.002 4.781 20 0 JJADMO CCN(CC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1)c1cccc(Br)c1 ZINC001459746531 1067403962 /nfs/dbraw/zinc/40/39/62/1067403962.db2.gz AJEDRPRCGIHCNO-UHFFFAOYSA-N 1 1 458.444 4.743 20 0 JJADMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2cc(OC)ncc2Br)[C@H]2CCCC[C@H]12 ZINC001459758288 1067409865 /nfs/dbraw/zinc/40/98/65/1067409865.db2.gz YBXVDAKBOUOTCS-BHSWOKAISA-N 1 1 452.437 4.537 20 0 JJADMO C[C@@H](OCCCNC(=O)C[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)c1ccccc1 ZINC001459757868 1067409910 /nfs/dbraw/zinc/40/99/10/1067409910.db2.gz AMOQDEWIKITVSN-XLIONFOSSA-N 1 1 451.394 4.731 20 0 JJADMO C[C@@H](OCCCNC(=O)C[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)c1ccccc1 ZINC001459757868 1067409912 /nfs/dbraw/zinc/40/99/12/1067409912.db2.gz AMOQDEWIKITVSN-XLIONFOSSA-N 1 1 451.394 4.731 20 0 JJADMO CC(C)(C)OC(=O)N1CCC2(CO[C@@H](C[N@@H+](Cc3ccccc3)CC3(O)CCCC3)C2)CC1 ZINC001459757872 1067409919 /nfs/dbraw/zinc/40/99/19/1067409919.db2.gz ANLSKMMQYVLXKD-HSZRJFAPSA-N 1 1 458.643 4.600 20 0 JJADMO CCOC(=O)Nc1ccc2c(C[N@H+](Cc3ccnc(OC(C)C)c3)C3CC3)cc(=O)oc2c1 ZINC001459771772 1067415495 /nfs/dbraw/zinc/41/54/95/1067415495.db2.gz APFYPNMOLNARHR-UHFFFAOYSA-N 1 1 451.523 4.708 20 0 JJADMO CCOC(=O)Nc1ccc2c(C[N@@H+](Cc3ccnc(OC(C)C)c3)C3CC3)cc(=O)oc2c1 ZINC001459771772 1067415502 /nfs/dbraw/zinc/41/55/02/1067415502.db2.gz APFYPNMOLNARHR-UHFFFAOYSA-N 1 1 451.523 4.708 20 0 JJADMO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCC(OC(C)(C)C)CC2)cc1 ZINC001459776758 1067417263 /nfs/dbraw/zinc/41/72/63/1067417263.db2.gz UKZGTVSOWRDOQY-SFHVURJKSA-N 1 1 453.583 4.554 20 0 JJADMO CCN(CCOC)c1cccc(C[N@H+]2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)n1 ZINC001459782414 1067419533 /nfs/dbraw/zinc/41/95/33/1067419533.db2.gz YTDVZSJNGDHNSA-OAQYLSRUSA-N 1 1 455.647 4.830 20 0 JJADMO CCC[C@H]1CN(CC(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)CC[N@H+]1CCOC ZINC001459783565 1067420466 /nfs/dbraw/zinc/42/04/66/1067420466.db2.gz CMSIJBIOOJPNDP-QHCPKHFHSA-N 1 1 455.668 4.826 20 0 JJADMO CCC[C@@H]1CN(Cc2nc(=O)c3c([nH]2)sc(C)c3-c2ccc(C)cc2)CC[N@H+]1CCOC ZINC001459786299 1067421637 /nfs/dbraw/zinc/42/16/37/1067421637.db2.gz PFWGPKKHKFXFNB-HXUWFJFHSA-N 1 1 454.640 4.613 20 0 JJADMO O=C1[C@@H]([N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CCCN1Cc1ccc(F)cc1F ZINC001459788366 1067422963 /nfs/dbraw/zinc/42/29/63/1067422963.db2.gz PEGKLVWTPVYNDV-YOEHRIQHSA-N 1 1 459.484 4.811 20 0 JJADMO O=C1[C@@H]([N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CCCN1Cc1ccc(F)cc1F ZINC001459788366 1067422968 /nfs/dbraw/zinc/42/29/68/1067422968.db2.gz PEGKLVWTPVYNDV-YOEHRIQHSA-N 1 1 459.484 4.811 20 0 JJADMO CCC[N@@H+](CCC(=O)Nc1ccc(OC)c(Cl)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001459790489 1067424014 /nfs/dbraw/zinc/42/40/14/1067424014.db2.gz DZGSRZUQZBAXRH-UHFFFAOYSA-N 1 1 458.002 4.694 20 0 JJADMO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+](Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)c1 ZINC001459795041 1067427057 /nfs/dbraw/zinc/42/70/57/1067427057.db2.gz FFNJFOJRKRWEFQ-KCWPFWIISA-N 1 1 451.994 4.724 20 0 JJADMO Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+](Cc2ccccc2)C[C@]2(O)CCc3ccccc32)c1 ZINC001459795048 1067427112 /nfs/dbraw/zinc/42/71/12/1067427112.db2.gz FFNJFOJRKRWEFQ-WNCULLNHSA-N 1 1 451.994 4.724 20 0 JJADMO C[C@H](O)[C@H]1CCC[N@H+](CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)C1 ZINC001459799548 1067429161 /nfs/dbraw/zinc/42/91/61/1067429161.db2.gz UAYWYJHQSWTVEU-RXVVDRJESA-N 1 1 453.583 4.575 20 0 JJADMO C[C@H](O)[C@H]1CCC[N@@H+](CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)C1 ZINC001459799548 1067429167 /nfs/dbraw/zinc/42/91/67/1067429167.db2.gz UAYWYJHQSWTVEU-RXVVDRJESA-N 1 1 453.583 4.575 20 0 JJADMO C[C@@H](O)[C@H]1CCC[N@H+](CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)C1 ZINC001459799542 1067429215 /nfs/dbraw/zinc/42/92/15/1067429215.db2.gz UAYWYJHQSWTVEU-NQIIRXRSSA-N 1 1 453.583 4.575 20 0 JJADMO C[C@@H](O)[C@H]1CCC[N@@H+](CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)C1 ZINC001459799542 1067429219 /nfs/dbraw/zinc/42/92/19/1067429219.db2.gz UAYWYJHQSWTVEU-NQIIRXRSSA-N 1 1 453.583 4.575 20 0 JJADMO CCC1(CC)CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001546112041 1067434027 /nfs/dbraw/zinc/43/40/27/1067434027.db2.gz AJKKFBWDFYOFNB-DEOSSOPVSA-N 1 1 483.701 4.991 20 0 JJADMO C[C@@H]1c2cc(Cl)c(Cl)cc2CC[N@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC001459815859 1067435384 /nfs/dbraw/zinc/43/53/84/1067435384.db2.gz AXBJOWIQKPTTKG-MRXNPFEDSA-N 1 1 450.385 4.791 20 0 JJADMO C[C@@H]1c2cc(Cl)c(Cl)cc2CC[N@@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC001459815859 1067435387 /nfs/dbraw/zinc/43/53/87/1067435387.db2.gz AXBJOWIQKPTTKG-MRXNPFEDSA-N 1 1 450.385 4.791 20 0 JJADMO CCC[C@@H]1CN([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC[N@H+]1Cc1ccccc1 ZINC001459815853 1067435391 /nfs/dbraw/zinc/43/53/91/1067435391.db2.gz UUVYWFDPORNZII-ISKFKSNPSA-N 1 1 457.565 4.770 20 0 JJADMO Cc1cccc(C)c1OC[C@@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C1(C)C)c1ccccc1 ZINC001459816774 1067436003 /nfs/dbraw/zinc/43/60/03/1067436003.db2.gz IRUVDMMNVLWZTB-HSZRJFAPSA-N 1 1 457.574 4.777 20 0 JJADMO COc1ccc(NC(=O)C[N@@H+](Cc2ccc(OC)c(OC)c2)[C@H]2CCCC[C@H]2C)c(OC)c1 ZINC001459831387 1067444286 /nfs/dbraw/zinc/44/42/86/1067444286.db2.gz CRRDNYPFJXCVGQ-GCJKJVERSA-N 1 1 456.583 4.740 20 0 JJADMO COc1ccc(NC(=O)C[N@@H+](Cc2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@H]2C)c(OC)c1 ZINC001459831396 1067444335 /nfs/dbraw/zinc/44/43/35/1067444335.db2.gz CRRDNYPFJXCVGQ-XMSQKQJNSA-N 1 1 456.583 4.740 20 0 JJADMO C[N@@H+](C[C@@H](O)CN[C@H](Cc1c(F)cccc1Cl)c1ccccc1Br)C1CC1 ZINC001459842188 1067449145 /nfs/dbraw/zinc/44/91/45/1067449145.db2.gz FUBANWLUGOTIPN-YCRPNKLZSA-N 1 1 455.799 4.570 20 0 JJADMO COCC1(C)CC[NH+](CC(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)OC)CC1 ZINC001459842772 1067449553 /nfs/dbraw/zinc/44/95/53/1067449553.db2.gz PFJQNDREZJDVNK-UHFFFAOYSA-N 1 1 450.988 4.542 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CC(=O)Nc1c(F)cccc1F)c1ccc2ccccc2c1 ZINC001459853163 1067457843 /nfs/dbraw/zinc/45/78/43/1067457843.db2.gz SXLNISJOHPAZON-OAQYLSRUSA-N 1 1 455.505 4.912 20 0 JJADMO CCOC(=O)c1c2c(sc1NC(=O)C[NH2+]C1(c3ccccc3OC)CCC1)C[C@@H](C)CC2 ZINC001459858094 1067460321 /nfs/dbraw/zinc/46/03/21/1067460321.db2.gz ABVFYGRHXLTKCF-INIZCTEOSA-N 1 1 456.608 4.666 20 0 JJADMO COc1cc(F)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1OC ZINC001459860494 1067461454 /nfs/dbraw/zinc/46/14/54/1067461454.db2.gz XYDJFORYSDEKIY-DLBZAZTESA-N 1 1 450.510 4.752 20 0 JJADMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC001459865752 1067463670 /nfs/dbraw/zinc/46/36/70/1067463670.db2.gz YROVUKJTIHHNLX-CABCVRRESA-N 1 1 450.377 4.839 20 0 JJADMO Brc1ccc(-c2nc(C[NH2+][C@H](CN3CCOCC3)c3ccccc3)cs2)cc1 ZINC001459865511 1067463682 /nfs/dbraw/zinc/46/36/82/1067463682.db2.gz XARSBBLFKXRMQS-OAQYLSRUSA-N 1 1 458.425 4.736 20 0 JJADMO COC(=O)c1ccc2c(c1)nc(C[N@@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)[nH]c2=O ZINC001459869839 1067466304 /nfs/dbraw/zinc/46/63/04/1067466304.db2.gz MQSVYGILOLWFOH-YLJYHZDGSA-N 1 1 459.468 4.909 20 0 JJADMO COc1cccc(OC)c1OC[C@H](O)C[N@@H+](C)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001459871316 1067467863 /nfs/dbraw/zinc/46/78/63/1067467863.db2.gz REVYSOUHTAZJPY-HSALFYBXSA-N 1 1 453.501 4.730 20 0 JJADMO Cc1ccc(-c2noc([C@@H](C)[NH+]3CCC(C(=O)Nc4cc(Cl)ccc4O)CC3)n2)cc1F ZINC001459885837 1067473196 /nfs/dbraw/zinc/47/31/96/1067473196.db2.gz ZUOQOSXVEYASAC-CQSZACIVSA-N 1 1 458.921 4.955 20 0 JJADMO CC(C)c1ccc([C@H]2CCCC[N@H+]2CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC001459887376 1067473639 /nfs/dbraw/zinc/47/36/39/1067473639.db2.gz ATSCQASYTPYEEZ-AREMUKBSSA-N 1 1 453.671 4.978 20 0 JJADMO CC[C@H]1C[N@H+](Cc2csc(-c3cccc(C(=O)OC)c3)n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001459889801 1067474675 /nfs/dbraw/zinc/47/46/75/1067474675.db2.gz IJMPZJYUMAUXCW-OXJNMPFZSA-N 1 1 459.612 4.722 20 0 JJADMO CC[C@H]1C[N@@H+](Cc2csc(-c3cccc(C(=O)OC)c3)n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001459889801 1067474680 /nfs/dbraw/zinc/47/46/80/1067474680.db2.gz IJMPZJYUMAUXCW-OXJNMPFZSA-N 1 1 459.612 4.722 20 0 JJADMO CC[C@H]1C[N@@H+](CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001459893116 1067476276 /nfs/dbraw/zinc/47/62/76/1067476276.db2.gz UAHNTHFMQKRCQN-XUZZJYLKSA-N 1 1 457.659 4.926 20 0 JJADMO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]Cc1nnnn1-c1ccccc1Br ZINC001459905647 1067482661 /nfs/dbraw/zinc/48/26/61/1067482661.db2.gz KPRGGHPDEJKHED-ZDUSSCGKSA-N 1 1 455.385 4.708 20 0 JJADMO CC(C)OC(=O)C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccccc1 ZINC001459939548 1067500248 /nfs/dbraw/zinc/50/02/48/1067500248.db2.gz XQSBPKBYPPZFMB-XMMPIXPASA-N 1 1 459.546 4.550 20 0 JJADMO COC(=O)Nc1cccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)c1 ZINC001459941421 1067500625 /nfs/dbraw/zinc/50/06/25/1067500625.db2.gz OMUZVFCCNXPNFE-IZZNHLLZSA-N 1 1 457.574 4.705 20 0 JJADMO CC(C)N1C(=O)C[C@@H]([NH2+]CC(=O)Nc2ccc(F)cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001459952900 1067505251 /nfs/dbraw/zinc/50/52/51/1067505251.db2.gz UWSUUTJICWHYKK-NQIIRXRSSA-N 1 1 456.320 4.550 20 0 JJADMO Cc1sc(NC(=O)C[NH2+][C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c(C)c1C ZINC001459954321 1067505939 /nfs/dbraw/zinc/50/59/39/1067505939.db2.gz YYQYQCKZECIONL-NQIIRXRSSA-N 1 1 451.995 4.745 20 0 JJADMO COc1cc(NC(=O)C[NH2+][C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc(OC)c1 ZINC001459956692 1067506765 /nfs/dbraw/zinc/50/67/65/1067506765.db2.gz HARRKENGGWFQHO-KRWDZBQOSA-N 1 1 450.379 4.944 20 0 JJADMO COc1cc2ccccc2cc1-c1nnc(C[N@H+](C)[C@H](CNC(=O)OC(C)(C)C)C2CC2)o1 ZINC001459960199 1067508093 /nfs/dbraw/zinc/50/80/93/1067508093.db2.gz MATROWNBIHJRCS-HXUWFJFHSA-N 1 1 452.555 4.634 20 0 JJADMO COc1cc2ccccc2cc1-c1nnc(C[N@@H+](C)[C@H](CNC(=O)OC(C)(C)C)C2CC2)o1 ZINC001459960199 1067508099 /nfs/dbraw/zinc/50/80/99/1067508099.db2.gz MATROWNBIHJRCS-HXUWFJFHSA-N 1 1 452.555 4.634 20 0 JJADMO CCOc1ccc(CCCC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1OCC ZINC001459977024 1067512934 /nfs/dbraw/zinc/51/29/34/1067512934.db2.gz GSZWNOLFAVWGJF-NDEPHWFRSA-N 1 1 450.623 4.931 20 0 JJADMO Cn1c2ccccc2nc1[C@@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC001459982509 1067515248 /nfs/dbraw/zinc/51/52/48/1067515248.db2.gz FMAQZVLKRNAHSS-XXBNENTESA-N 1 1 455.480 4.711 20 0 JJADMO CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C[N@H+](C)CC1(O)CCCCCC1 ZINC001459987811 1067516820 /nfs/dbraw/zinc/51/68/20/1067516820.db2.gz UWRDLFVFIBZMNT-UHFFFAOYSA-N 1 1 458.624 4.856 20 0 JJADMO CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C[N@@H+](C)CC1(O)CCCCCC1 ZINC001459987811 1067516827 /nfs/dbraw/zinc/51/68/27/1067516827.db2.gz UWRDLFVFIBZMNT-UHFFFAOYSA-N 1 1 458.624 4.856 20 0 JJADMO O=C(C[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC001459990050 1067517164 /nfs/dbraw/zinc/51/71/64/1067517164.db2.gz XISYLBFYHOBTCK-HDYLNDSGSA-N 1 1 454.058 4.984 20 0 JJADMO CC(C)(C)OC(=O)C1(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C(C)(C)C1(C)C ZINC001546113178 1067521940 /nfs/dbraw/zinc/52/19/40/1067521940.db2.gz RHTMCHZALKUYEF-FDFHNCONSA-N 1 1 454.655 4.797 20 0 JJADMO Cc1cccc(Oc2ccc(NC(=O)C[N@@H+]3CC[C@](C)(CNC(=O)OC(C)(C)C)C3)cc2)c1 ZINC001460007687 1067524739 /nfs/dbraw/zinc/52/47/39/1067524739.db2.gz JLEWFHSBUHYWDN-AREMUKBSSA-N 1 1 453.583 4.963 20 0 JJADMO Cc1cccc(Oc2ccc(NC(=O)C[N@H+]3CC[C@](C)(CNC(=O)OC(C)(C)C)C3)cc2)c1 ZINC001460007687 1067524751 /nfs/dbraw/zinc/52/47/51/1067524751.db2.gz JLEWFHSBUHYWDN-AREMUKBSSA-N 1 1 453.583 4.963 20 0 JJADMO COC(=O)c1cc(C)cc(C(=O)NC[C@@H](c2ccc(Cl)cc2)[N@H+](C)CCC(F)(F)F)c1 ZINC001460013571 1067527227 /nfs/dbraw/zinc/52/72/27/1067527227.db2.gz JBOUXKHVBPOSRM-IBGZPJMESA-N 1 1 456.892 4.790 20 0 JJADMO COC(=O)c1cc(C)cc(C(=O)NC[C@@H](c2ccc(Cl)cc2)[N@@H+](C)CCC(F)(F)F)c1 ZINC001460013571 1067527233 /nfs/dbraw/zinc/52/72/33/1067527233.db2.gz JBOUXKHVBPOSRM-IBGZPJMESA-N 1 1 456.892 4.790 20 0 JJADMO C[N@H+](CCC(F)(F)F)[C@@H](CNC(=O)c1cc(F)cc2nccnc21)c1ccc(Cl)cc1 ZINC001460014297 1067527677 /nfs/dbraw/zinc/52/76/77/1067527677.db2.gz LXNSOBVFZRTHRX-SFHVURJKSA-N 1 1 454.855 4.778 20 0 JJADMO C[N@@H+](CCC(F)(F)F)[C@@H](CNC(=O)c1cc(F)cc2nccnc21)c1ccc(Cl)cc1 ZINC001460014297 1067527686 /nfs/dbraw/zinc/52/76/86/1067527686.db2.gz LXNSOBVFZRTHRX-SFHVURJKSA-N 1 1 454.855 4.778 20 0 JJADMO C[N@H+](CCC(F)(F)F)[C@H](CNC(=O)c1cc(F)cc2nccnc21)c1ccc(Cl)cc1 ZINC001460014292 1067527698 /nfs/dbraw/zinc/52/76/98/1067527698.db2.gz LXNSOBVFZRTHRX-GOSISDBHSA-N 1 1 454.855 4.778 20 0 JJADMO C[N@@H+](CCC(F)(F)F)[C@H](CNC(=O)c1cc(F)cc2nccnc21)c1ccc(Cl)cc1 ZINC001460014292 1067527707 /nfs/dbraw/zinc/52/77/07/1067527707.db2.gz LXNSOBVFZRTHRX-GOSISDBHSA-N 1 1 454.855 4.778 20 0 JJADMO C[N@H+](CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)CC1(CS(C)(=O)=O)CC1 ZINC001460015243 1067528429 /nfs/dbraw/zinc/52/84/29/1067528429.db2.gz IQVDFTVMBDHCRF-OAQYLSRUSA-N 1 1 455.542 4.972 20 0 JJADMO C[N@@H+](CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)CC1(CS(C)(=O)=O)CC1 ZINC001460015243 1067528440 /nfs/dbraw/zinc/52/84/40/1067528440.db2.gz IQVDFTVMBDHCRF-OAQYLSRUSA-N 1 1 455.542 4.972 20 0 JJADMO C[N@H+](CCC(F)(F)F)[C@H](CNC(=O)c1cnn(-c2ccccc2)c1)c1ccc(Cl)cc1 ZINC001460017699 1067529599 /nfs/dbraw/zinc/52/95/99/1067529599.db2.gz SPWIZFTWYMWERV-HXUWFJFHSA-N 1 1 450.892 4.881 20 0 JJADMO C[N@@H+](CCC(F)(F)F)[C@H](CNC(=O)c1cnn(-c2ccccc2)c1)c1ccc(Cl)cc1 ZINC001460017699 1067529607 /nfs/dbraw/zinc/52/96/07/1067529607.db2.gz SPWIZFTWYMWERV-HXUWFJFHSA-N 1 1 450.892 4.881 20 0 JJADMO CCOC(=O)[C@@]1(C(C)C)CC[N@H+]([C@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC001460018861 1067530149 /nfs/dbraw/zinc/53/01/49/1067530149.db2.gz KLMHRPMAIJLLHK-CLOONOSVSA-N 1 1 455.624 4.612 20 0 JJADMO CCC[N@@H+](CCOc1c(Cl)cc(Cl)cc1Cl)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC001460020129 1067531177 /nfs/dbraw/zinc/53/11/77/1067531177.db2.gz UMFQPHDZNRWCLJ-KRWDZBQOSA-N 1 1 459.805 4.585 20 0 JJADMO C[N@H+](CCOc1ccccc1C(C)(C)C)CC(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC001460032446 1067534778 /nfs/dbraw/zinc/53/47/78/1067534778.db2.gz UHOSRPWBNIUBRO-UHFFFAOYSA-N 1 1 452.517 4.552 20 0 JJADMO C[N@@H+](CCOc1ccccc1C(C)(C)C)CC(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC001460032446 1067534785 /nfs/dbraw/zinc/53/47/85/1067534785.db2.gz UHOSRPWBNIUBRO-UHFFFAOYSA-N 1 1 452.517 4.552 20 0 JJADMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC001460042105 1067536936 /nfs/dbraw/zinc/53/69/36/1067536936.db2.gz RDYPNKHCKMNTLC-CDIGIKMISA-N 1 1 453.652 4.964 20 0 JJADMO Cc1cc(C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c(C)cc1I ZINC001460066066 1067544061 /nfs/dbraw/zinc/54/40/61/1067544061.db2.gz RAIKBFLBDSZPOZ-FUHWJXTLSA-N 1 1 453.389 4.909 20 0 JJADMO CCOc1cccc(/C=C\C(=O)Nc2cc(Br)ccc2N2CC[N@@H+](C)C[C@@H]2C)c1 ZINC001460096369 1067553944 /nfs/dbraw/zinc/55/39/44/1067553944.db2.gz RJZGCVLLGOCEEI-NLZINVLXSA-N 1 1 458.400 4.640 20 0 JJADMO C[C@]1(c2ccccc2)CCC[N@@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)CC1 ZINC001460098636 1067554928 /nfs/dbraw/zinc/55/49/28/1067554928.db2.gz JHQUTUIHLANSRZ-QHCPKHFHSA-N 1 1 457.500 4.668 20 0 JJADMO CN(C)S(=O)(=O)c1cccc(C[NH2+][C@H](Cc2ccccc2)c2nc3ccccc3s2)c1 ZINC001460102276 1067555453 /nfs/dbraw/zinc/55/54/53/1067555453.db2.gz LDGRYBBDBXMHHC-JOCHJYFZSA-N 1 1 451.617 4.620 20 0 JJADMO O=C(C[N@@H+](Cc1ccccc1)C1(CO)CCCC1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC001460156233 1067566342 /nfs/dbraw/zinc/56/63/42/1067566342.db2.gz AWWCNFVVGVCSLB-UHFFFAOYSA-N 1 1 457.546 4.834 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(Cl)c(F)c3)C2)C1 ZINC001460155689 1067566447 /nfs/dbraw/zinc/56/64/47/1067566447.db2.gz AWHHSHIFNXPCNC-IRXDYDNUSA-N 1 1 453.986 4.777 20 0 JJADMO Cc1ccc(C2=NN(C(=O)C[NH2+][C@@H](CCO)c3ccc(Cl)cc3)[C@H](c3ccco3)C2)cc1 ZINC001460172545 1067570149 /nfs/dbraw/zinc/57/01/49/1067570149.db2.gz ONVFYKJRAQCJGU-GMAHTHKFSA-N 1 1 451.954 4.632 20 0 JJADMO COC(=O)c1cc2cc(C[N@@H+](CCc3ccc(Cl)cc3)C[C@@H](O)C(F)(F)F)ccc2o1 ZINC001460174428 1067570602 /nfs/dbraw/zinc/57/06/02/1067570602.db2.gz IYVAPGDADNKGGM-HXUWFJFHSA-N 1 1 455.860 4.841 20 0 JJADMO Cc1ccc(CN(C(=O)C[N@H+]2CCN(Cc3ccc(Cl)cc3)C[C@H]2CC(C)C)C2CC2)o1 ZINC001460174821 1067570678 /nfs/dbraw/zinc/57/06/78/1067570678.db2.gz XTBRWQXTFGSPEV-XMMPIXPASA-N 1 1 458.046 4.965 20 0 JJADMO Cc1ccc(CN(C(=O)C[N@@H+]2CCN(Cc3ccc(Cl)cc3)C[C@H]2CC(C)C)C2CC2)o1 ZINC001460174821 1067570682 /nfs/dbraw/zinc/57/06/82/1067570682.db2.gz XTBRWQXTFGSPEV-XMMPIXPASA-N 1 1 458.046 4.965 20 0 JJADMO C[C@H]([NH2+][C@@H](CO)c1ccc(Br)c(F)c1)C(=O)Nc1cc(Cl)ccc1Cl ZINC001460175595 1067571028 /nfs/dbraw/zinc/57/10/28/1067571028.db2.gz VLMWJKJOAMYOOG-FVMDXXJSSA-N 1 1 450.135 4.545 20 0 JJADMO OC[C@]1(Cc2ccccc2)CCC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC001460178373 1067571812 /nfs/dbraw/zinc/57/18/12/1067571812.db2.gz DMKGRJWRIHTIJU-DEOSSOPVSA-N 1 1 452.396 4.723 20 0 JJADMO OC[C@@]1(Cc2ccccc2)CCC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC001460178379 1067571856 /nfs/dbraw/zinc/57/18/56/1067571856.db2.gz DMKGRJWRIHTIJU-XMMPIXPASA-N 1 1 452.396 4.723 20 0 JJADMO O=C(C[N@H+]1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1)Nc1ccc2ccccc2c1 ZINC001460179390 1067572273 /nfs/dbraw/zinc/57/22/73/1067572273.db2.gz NENGCMQIWWSWJR-GBXCKJPGSA-N 1 1 453.380 4.986 20 0 JJADMO O=C(C[N@@H+]1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1)Nc1ccc2ccccc2c1 ZINC001460179390 1067572276 /nfs/dbraw/zinc/57/22/76/1067572276.db2.gz NENGCMQIWWSWJR-GBXCKJPGSA-N 1 1 453.380 4.986 20 0 JJADMO CC(=O)N(c1nc(CN2CC[N@H+](C3CC3)C[C@@H](C)C2)cs1)c1cccc(C(F)(F)F)c1 ZINC001460181512 1067573097 /nfs/dbraw/zinc/57/30/97/1067573097.db2.gz MSPRSMFLWYADHT-HNNXBMFYSA-N 1 1 452.546 4.763 20 0 JJADMO C[N@H+](Cc1ccccc1)C[C@H](CN[C@@H](CO)c1ccc(Br)cc1)c1ccccc1 ZINC001460184440 1067573826 /nfs/dbraw/zinc/57/38/26/1067573826.db2.gz XVJXWNVQCBCEPW-ZCYQVOJMSA-N 1 1 453.424 4.988 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCCO[C@H]1C1CC[NH+](Cc2csc(Br)c2)CC1 ZINC001460200593 1067577875 /nfs/dbraw/zinc/57/78/75/1067577875.db2.gz ZGTVRVZQQLZAMW-AEFFLSMTSA-N 1 1 459.450 4.795 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC001460215870 1067581356 /nfs/dbraw/zinc/58/13/56/1067581356.db2.gz RKOGKNGTNCMZNI-OXJNMPFZSA-N 1 1 453.986 4.919 20 0 JJADMO CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)C[NH2+][C@H](C)c1cc(C)ccc1OC ZINC001460218828 1067582437 /nfs/dbraw/zinc/58/24/37/1067582437.db2.gz QJCVKHNOURRPMA-MRXNPFEDSA-N 1 1 455.580 4.696 20 0 JJADMO C[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1)C1CCN(CCC(F)(F)F)CC1 ZINC001460231611 1067585430 /nfs/dbraw/zinc/58/54/30/1067585430.db2.gz ZPXYOBKEHCCQEG-JOCHJYFZSA-N 1 1 453.593 4.996 20 0 JJADMO C[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1)C1CCN(CCC(F)(F)F)CC1 ZINC001460231611 1067585436 /nfs/dbraw/zinc/58/54/36/1067585436.db2.gz ZPXYOBKEHCCQEG-JOCHJYFZSA-N 1 1 453.593 4.996 20 0 JJADMO CCCCCCc1ccc(-c2csc(NC(=O)[C@H](C)[N@@H+]3CC[C@H](C(=O)N(C)C)C3)n2)cc1 ZINC001460237351 1067587260 /nfs/dbraw/zinc/58/72/60/1067587260.db2.gz LPGKDERWDZGESI-RXVVDRJESA-N 1 1 456.656 4.670 20 0 JJADMO CCCCCCc1ccc(-c2csc(NC(=O)[C@H](C)[N@H+]3CC[C@H](C(=O)N(C)C)C3)n2)cc1 ZINC001460237351 1067587269 /nfs/dbraw/zinc/58/72/69/1067587269.db2.gz LPGKDERWDZGESI-RXVVDRJESA-N 1 1 456.656 4.670 20 0 JJADMO CCC1(CC)CN(c2nnc(-c3ccc(Cl)nc3)n2CCCn2cc[nH+]c2C)CCS1 ZINC001546115011 1067587293 /nfs/dbraw/zinc/58/72/93/1067587293.db2.gz OONOGRRNFNITKO-UHFFFAOYSA-N 1 1 460.051 4.701 20 0 JJADMO CCc1cc(Oc2ccc(F)cc2CN2CC[NH+](C(COC)COC)CC2)ccc1Cl ZINC001460238514 1067587948 /nfs/dbraw/zinc/58/79/48/1067587948.db2.gz QHMQHYPKOKKNJC-UHFFFAOYSA-N 1 1 450.982 4.613 20 0 JJADMO CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1cccc(C(=O)N2CCCCC2)c1)C(C)C ZINC001460239908 1067588558 /nfs/dbraw/zinc/58/85/58/1067588558.db2.gz HQBMOVGSNUDFEB-HSZRJFAPSA-N 1 1 456.652 4.685 20 0 JJADMO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1nn(-c2ccccc2)c2c1CCC2)C(C)C ZINC001460247961 1067590658 /nfs/dbraw/zinc/59/06/58/1067590658.db2.gz WSUCBJCGDFCLHH-NRFANRHFSA-N 1 1 451.636 4.733 20 0 JJADMO CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1nn(-c2ccccc2)c2c1CCC2)C(C)C ZINC001460247961 1067590664 /nfs/dbraw/zinc/59/06/64/1067590664.db2.gz WSUCBJCGDFCLHH-NRFANRHFSA-N 1 1 451.636 4.733 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCC23CCC3)CCC1 ZINC001460256269 1067592270 /nfs/dbraw/zinc/59/22/70/1067592270.db2.gz OBWFLKASSIGISM-QFIPXVFZSA-N 1 1 455.643 4.585 20 0 JJADMO Brc1ccccc1C[C@H]1CCC[N@H+]1CCCCCn1nnc(-c2ccccc2)n1 ZINC001460271285 1067594904 /nfs/dbraw/zinc/59/49/04/1067594904.db2.gz SDVXJNZHIASXHA-OAQYLSRUSA-N 1 1 454.416 4.980 20 0 JJADMO COC(=O)[C@@H]1C[N@@H+](CCn2ccc3cc(Cl)ccc32)C[C@H]1c1ccc(Br)cc1 ZINC001460279982 1067597052 /nfs/dbraw/zinc/59/70/52/1067597052.db2.gz WEXCCXHVPWBNOC-VQTJNVASSA-N 1 1 461.787 4.946 20 0 JJADMO COc1cc(-c2nc(C[NH2+][C@@H](CCO)c3cccc(OC(F)(F)F)c3)cs2)ccc1O ZINC001460288329 1067599553 /nfs/dbraw/zinc/59/95/53/1067599553.db2.gz BOCUEUKWTGWZLD-KRWDZBQOSA-N 1 1 454.470 4.636 20 0 JJADMO CC(C)(C)OC(=O)N1CCc2c(C[N@H+]3CCC[C@H](O)[C@H]3CCc3ccccc3)cccc2C1 ZINC001460295325 1067600624 /nfs/dbraw/zinc/60/06/24/1067600624.db2.gz KNFXNIHHKJOEBJ-FTJBHMTQSA-N 1 1 450.623 4.938 20 0 JJADMO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c3cccnc3)C1)C[C@@H](C)CC2 ZINC001460301157 1067601959 /nfs/dbraw/zinc/60/19/59/1067601959.db2.gz BRAKJHKMFHXETQ-JENIJYKNSA-N 1 1 455.624 4.651 20 0 JJADMO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c3cccnc3)C1)C[C@@H](C)CC2 ZINC001460301157 1067601965 /nfs/dbraw/zinc/60/19/65/1067601965.db2.gz BRAKJHKMFHXETQ-JENIJYKNSA-N 1 1 455.624 4.651 20 0 JJADMO Cc1ccc2nc(NC(=O)C[N@H+]3C[C@@H](c4ccccc4)[C@H](C(=O)OC(C)(C)C)C3)sc2c1 ZINC001460303224 1067602747 /nfs/dbraw/zinc/60/27/47/1067602747.db2.gz WGABWIRCJXYFLS-RBUKOAKNSA-N 1 1 451.592 4.601 20 0 JJADMO Cc1ccc2nc(NC(=O)C[N@@H+]3C[C@@H](c4ccccc4)[C@H](C(=O)OC(C)(C)C)C3)sc2c1 ZINC001460303224 1067602750 /nfs/dbraw/zinc/60/27/50/1067602750.db2.gz WGABWIRCJXYFLS-RBUKOAKNSA-N 1 1 451.592 4.601 20 0 JJADMO CC[C@@H]1[C@H](C(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)CCN1C(=O)OC(C)(C)C ZINC001460309272 1067604621 /nfs/dbraw/zinc/60/46/21/1067604621.db2.gz WLXGAJKPIYQAIA-FGZHOGPDSA-N 1 1 450.583 4.618 20 0 JJADMO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+]1[C@H](C)[C@@H](C)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001460309916 1067605038 /nfs/dbraw/zinc/60/50/38/1067605038.db2.gz YQZVVGLJQVWOKL-DWLFOUALSA-N 1 1 458.647 4.547 20 0 JJADMO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+]1[C@H](C)[C@@H](C)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001460309916 1067605041 /nfs/dbraw/zinc/60/50/41/1067605041.db2.gz YQZVVGLJQVWOKL-DWLFOUALSA-N 1 1 458.647 4.547 20 0 JJADMO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+]1[C@@H](C)[C@H](C)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001460309914 1067605057 /nfs/dbraw/zinc/60/50/57/1067605057.db2.gz YQZVVGLJQVWOKL-CBQOVEMMSA-N 1 1 458.647 4.547 20 0 JJADMO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+]1[C@@H](C)[C@H](C)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001460309914 1067605059 /nfs/dbraw/zinc/60/50/59/1067605059.db2.gz YQZVVGLJQVWOKL-CBQOVEMMSA-N 1 1 458.647 4.547 20 0 JJADMO COC(=O)[C@@H]1C[N@@H+](CC(=O)N(Cc2ccccc2)c2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001460315476 1067605842 /nfs/dbraw/zinc/60/58/42/1067605842.db2.gz YQOUVQJQFMGEFP-LOSJGSFVSA-N 1 1 462.977 4.762 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCOc2ccc(F)cc2Cl)C1 ZINC001460317100 1067606275 /nfs/dbraw/zinc/60/62/75/1067606275.db2.gz JIPJYCDCNULWTC-YFVAEKQCSA-N 1 1 456.986 4.785 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCOc2ccc(F)c(Cl)c2)C1 ZINC001460317539 1067606395 /nfs/dbraw/zinc/60/63/95/1067606395.db2.gz LQGMPGSYHFWYAO-CZAAIQMYSA-N 1 1 456.986 4.785 20 0 JJADMO CC(=O)N(c1nc(C[NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)cs1)c1ccc(C)cc1 ZINC001460325058 1067608571 /nfs/dbraw/zinc/60/85/71/1067608571.db2.gz GHOSOULUBYUWME-PMACEKPBSA-N 1 1 458.628 4.918 20 0 JJADMO CC(C)c1nnc(CC2CC[NH+](CCC(=O)N[C@@H](c3cccs3)c3ccccc3)CC2)[nH]1 ZINC001460331921 1067609950 /nfs/dbraw/zinc/60/99/50/1067609950.db2.gz HMMFKWDHNUPVFD-XMMPIXPASA-N 1 1 451.640 4.540 20 0 JJADMO CC(C)c1nc(CC2CC[NH+](CCC(=O)N[C@@H](c3cccs3)c3ccccc3)CC2)n[nH]1 ZINC001460331921 1067609954 /nfs/dbraw/zinc/60/99/54/1067609954.db2.gz HMMFKWDHNUPVFD-XMMPIXPASA-N 1 1 451.640 4.540 20 0 JJADMO CCOc1ccc(-c2nc(C[NH+]3CCC(N(CCOC)C(=O)OC(C)(C)C)CC3)co2)cc1 ZINC001460335506 1067610914 /nfs/dbraw/zinc/61/09/14/1067610914.db2.gz KWZWABNPTHHRPS-UHFFFAOYSA-N 1 1 459.587 4.588 20 0 JJADMO CC(C)c1ccc(CN2CCN(C(=O)C[N@H+]3CCc4ccc(Cl)cc4[C@@H](C)C3)CC2)cc1 ZINC001460335573 1067611017 /nfs/dbraw/zinc/61/10/17/1067611017.db2.gz HFZALTGLQREITP-NRFANRHFSA-N 1 1 454.058 4.769 20 0 JJADMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC001460341865 1067612360 /nfs/dbraw/zinc/61/23/60/1067612360.db2.gz IESJFFBPTFYUSZ-OFNKIYASSA-N 1 1 451.611 4.660 20 0 JJADMO Cc1ccc(S(=O)(=O)N[C@@H](C[N@H+]2CCS[C@@H](c3ccccc3)C2)c2ccccc2)cc1 ZINC001460362405 1067618656 /nfs/dbraw/zinc/61/86/56/1067618656.db2.gz OWSONFACWFNPFA-LOSJGSFVSA-N 1 1 452.645 4.805 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCSc3ccc(F)cc3F)C2)C1 ZINC001460366875 1067619352 /nfs/dbraw/zinc/61/93/52/1067619352.db2.gz MPAJIZHOILJCKR-ILZDJORESA-N 1 1 456.599 4.841 20 0 JJADMO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2nnc(C(C)C)s2)cc1F ZINC001460388415 1067624250 /nfs/dbraw/zinc/62/42/50/1067624250.db2.gz GKESSQWRBHGNMN-WMZOPIPTSA-N 1 1 464.607 4.692 20 0 JJADMO Cc1ccccc1Cc1noc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)n1 ZINC001460392436 1067625263 /nfs/dbraw/zinc/62/52/63/1067625263.db2.gz SJUPWENQXHFIIC-DHIUTWEWSA-N 1 1 480.584 4.991 20 0 JJADMO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)[NH2+][C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC001460405347 1067628264 /nfs/dbraw/zinc/62/82/64/1067628264.db2.gz QWXLLQKXCVMVAT-VGSWGCGISA-N 1 1 452.576 4.948 20 0 JJADMO Cc1ccccc1Cc1noc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)n1 ZINC001460412250 1067630215 /nfs/dbraw/zinc/63/02/15/1067630215.db2.gz UOXBWCDXPTVXOR-DHIUTWEWSA-N 1 1 462.594 4.852 20 0 JJADMO CCc1ccc([C@@H](NC(=O)C[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)c2cccs2)cc1 ZINC001460415713 1067631320 /nfs/dbraw/zinc/63/13/20/1067631320.db2.gz NAHAMBYDEBWGHX-JOCHJYFZSA-N 1 1 459.656 4.751 20 0 JJADMO CCc1ccc([C@@H](NC(=O)C[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)c2cccs2)cc1 ZINC001460415713 1067631323 /nfs/dbraw/zinc/63/13/23/1067631323.db2.gz NAHAMBYDEBWGHX-JOCHJYFZSA-N 1 1 459.656 4.751 20 0 JJADMO O=C(N1CCC[C@H](C2CC[NH+](Cc3ccn(-c4ccc(Cl)cc4)n3)CC2)C1)C(F)(F)F ZINC001460444934 1067636202 /nfs/dbraw/zinc/63/62/02/1067636202.db2.gz JCKWEKGNSCBZAU-KRWDZBQOSA-N 1 1 454.924 4.539 20 0 JJADMO CCC1(CC)CN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCC[N@@H+](C)C(C)C)CCS1 ZINC001546116562 1067642264 /nfs/dbraw/zinc/64/22/64/1067642264.db2.gz ZYNBSXPENICGJU-UHFFFAOYSA-N 1 1 481.714 4.973 20 0 JJADMO CCCCOc1ccc(-c2nnc(C[NH2+][C@H]3CCN(C(=O)OC(C)(C)C)C34CCC4)o2)cc1 ZINC001460487449 1067644069 /nfs/dbraw/zinc/64/40/69/1067644069.db2.gz VGCOKIKNWCBCJO-FQEVSTJZSA-N 1 1 456.587 4.937 20 0 JJADMO CC(C)(C)OC(=O)N1CCN(c2cc([C@@H]3CCC[N@@H+](CC4CCC(C)(C)CC4)C3)[nH]n2)CC1 ZINC001460502456 1067645842 /nfs/dbraw/zinc/64/58/42/1067645842.db2.gz FVIMKCNDXJTGPR-OAQYLSRUSA-N 1 1 459.679 4.863 20 0 JJADMO Cc1ccccc1[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC001460562968 1067656466 /nfs/dbraw/zinc/65/64/66/1067656466.db2.gz XKCDQKBDXZYYBU-HXUWFJFHSA-N 1 1 457.640 4.580 20 0 JJADMO CCCCOc1ccc(-c2nnc(C[NH+]3CCC([C@H](O)c4cccc(OC)c4)CC3)o2)cc1 ZINC001460568599 1067657560 /nfs/dbraw/zinc/65/75/60/1067657560.db2.gz JGOMLFNESIDQQN-VWLOTQADSA-N 1 1 451.567 4.870 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H](CC[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)C1 ZINC001460566625 1067657681 /nfs/dbraw/zinc/65/76/81/1067657681.db2.gz LAEQQGHVYSJMTI-NSISKUIASA-N 1 1 453.421 4.594 20 0 JJADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](C)Cc1ccc(Br)cc1F ZINC001460581705 1067661239 /nfs/dbraw/zinc/66/12/39/1067661239.db2.gz TZCGCECQQMUZRZ-UHFFFAOYSA-N 1 1 459.363 4.851 20 0 JJADMO O[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCOc1c(Br)cccc1Br ZINC001460606935 1067669644 /nfs/dbraw/zinc/66/96/44/1067669644.db2.gz IEGSTEWQFZMWSR-QZTJIDSGSA-N 1 1 455.190 4.788 20 0 JJADMO O[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCOc1c(Br)cccc1Br ZINC001460606935 1067669650 /nfs/dbraw/zinc/66/96/50/1067669650.db2.gz IEGSTEWQFZMWSR-QZTJIDSGSA-N 1 1 455.190 4.788 20 0 JJADMO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@]2(C)Cc2ccc(F)c(F)c2)c(OC)c1 ZINC001460647533 1067685298 /nfs/dbraw/zinc/68/52/98/1067685298.db2.gz ACEYUVUWDQNDRO-JYFHCDHNSA-N 1 1 458.549 4.743 20 0 JJADMO COc1ccc([C@@H]2C[N@H+](Cc3cc4c(cc3Cl)OCCO4)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001460650477 1067686735 /nfs/dbraw/zinc/68/67/35/1067686735.db2.gz KALGVDMVFWCILF-PZJWPPBQSA-N 1 1 474.985 4.613 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3cc4c(cc3Cl)OCCO4)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001460650477 1067686739 /nfs/dbraw/zinc/68/67/39/1067686739.db2.gz KALGVDMVFWCILF-PZJWPPBQSA-N 1 1 474.985 4.613 20 0 JJADMO Cn1cc([C@H]2C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc3cccc(SC(F)(F)F)c3)C2)cn1 ZINC001460654865 1067689302 /nfs/dbraw/zinc/68/93/02/1067689302.db2.gz GYKMFBWMVDVSQL-DLBZAZTESA-N 1 1 455.546 4.979 20 0 JJADMO CS(=O)(=O)c1ccc([C@H](O)C[N@H+]2CCC[C@H]2Cc2cccc(Oc3ccccc3)c2)cc1 ZINC001460659422 1067691361 /nfs/dbraw/zinc/69/13/61/1067691361.db2.gz HQPXIRFDOREJIS-BKMJKUGQSA-N 1 1 451.588 4.623 20 0 JJADMO CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CC[N@@H+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC001460674760 1067696629 /nfs/dbraw/zinc/69/66/29/1067696629.db2.gz FCFBFSLWCKWLMQ-PGRDOPGGSA-N 1 1 455.437 4.745 20 0 JJADMO O=C(Cc1csc(Cc2ccc(F)cc2)n1)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001460678208 1067698092 /nfs/dbraw/zinc/69/80/92/1067698092.db2.gz AWMRMJHOALKKED-JOCHJYFZSA-N 1 1 451.611 4.834 20 0 JJADMO Cc1ccc([C@H]2CC[N@@H+](CC(=O)N3c4ccccc4NC(=O)C[C@H]3C(F)(F)F)C2(C)C)cc1 ZINC001460697443 1067703653 /nfs/dbraw/zinc/70/36/53/1067703653.db2.gz OZUKFHUQKZHWMT-NQIIRXRSSA-N 1 1 459.512 4.869 20 0 JJADMO CC1(C)[C@@H](c2ccc(F)c(F)c2)CC[N@@H+]1CC(=O)NCCOc1ccc(C(F)(F)F)cc1 ZINC001460723596 1067709829 /nfs/dbraw/zinc/70/98/29/1067709829.db2.gz ZQAVCXOBAVKFRI-GOSISDBHSA-N 1 1 456.455 4.747 20 0 JJADMO CC1(C)[C@@H](c2ccc(F)c(F)c2)CC[N@H+]1CC(=O)NCCOc1ccc(C(F)(F)F)cc1 ZINC001460723596 1067709837 /nfs/dbraw/zinc/70/98/37/1067709837.db2.gz ZQAVCXOBAVKFRI-GOSISDBHSA-N 1 1 456.455 4.747 20 0 JJADMO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C[C@@](C)(O)c2ccc(Br)cc2F)CC1 ZINC001460731481 1067711737 /nfs/dbraw/zinc/71/17/37/1067711737.db2.gz OQKWYYDTXZWQRU-FCHUYYIVSA-N 1 1 453.371 4.704 20 0 JJADMO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+](C)CCCCCCNC(=O)OC(C)(C)C ZINC001460739944 1067712864 /nfs/dbraw/zinc/71/28/64/1067712864.db2.gz CCNUEWCHHASASI-MRXNPFEDSA-N 1 1 456.425 4.793 20 0 JJADMO CCOC(=O)c1c2c(sc1NC(=O)CN(C)C[C@@H](C)C(C)(C)C)C(C)(C)[NH2+]C(C)(C)C2 ZINC001460742186 1067713307 /nfs/dbraw/zinc/71/33/07/1067713307.db2.gz BNIBFNDUFDVIAC-OAHLLOKOSA-N 1 1 451.677 4.637 20 0 JJADMO COC(=O)[C@@H](N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001460779609 1067722090 /nfs/dbraw/zinc/72/20/90/1067722090.db2.gz ITCUBSBEJXBQQP-QRVBRYPASA-N 1 1 460.418 4.572 20 0 JJADMO COC(=O)[C@@H](N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001460779609 1067722098 /nfs/dbraw/zinc/72/20/98/1067722098.db2.gz ITCUBSBEJXBQQP-QRVBRYPASA-N 1 1 460.418 4.572 20 0 JJADMO Cc1cc(Cl)c(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1Br ZINC001460780844 1067722497 /nfs/dbraw/zinc/72/24/97/1067722497.db2.gz DZICGSISHGPRER-HZPDHXFCSA-N 1 1 453.812 4.597 20 0 JJADMO C[C@H]([NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)C(=O)N(c1nccs1)C1CCCCC1 ZINC001460782814 1067722605 /nfs/dbraw/zinc/72/26/05/1067722605.db2.gz ZYGVDQSPHWPJFH-IOMROCGXSA-N 1 1 480.600 4.850 20 0 JJADMO CCSc1ccc(C[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)c(Br)c1 ZINC001460796637 1067724940 /nfs/dbraw/zinc/72/49/40/1067724940.db2.gz NEZZQMZQNPMCNB-AZUAARDMSA-N 1 1 455.368 4.901 20 0 JJADMO C[N@H+](Cc1cc(F)ccc1Oc1ccc(Br)cc1)C[C@H](O)C[C@](C)(O)C1CC1 ZINC001460800025 1067726608 /nfs/dbraw/zinc/72/66/08/1067726608.db2.gz HEXYYFSZPSVWMR-KNQAVFIVSA-N 1 1 452.364 4.724 20 0 JJADMO CN(C(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccc(F)cc1)C(C)(C)C[NH+]1CCOCC1 ZINC001460828708 1067730746 /nfs/dbraw/zinc/73/07/46/1067730746.db2.gz RJHGWZKNKITVPG-UHFFFAOYSA-N 1 1 455.549 4.615 20 0 JJADMO CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)C[N@@H+](Cc1ccccn1)CC(C)C ZINC001460831120 1067731089 /nfs/dbraw/zinc/73/10/89/1067731089.db2.gz PCRRIJBHCCJPBM-UHFFFAOYSA-N 1 1 454.596 4.582 20 0 JJADMO CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)C[N@H+](Cc1ccccn1)CC(C)C ZINC001460831120 1067731098 /nfs/dbraw/zinc/73/10/98/1067731098.db2.gz PCRRIJBHCCJPBM-UHFFFAOYSA-N 1 1 454.596 4.582 20 0 JJADMO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)[N@@H+](Cc1ccccn1)CC(C)C)C[C@H](C)CC2 ZINC001460833587 1067731528 /nfs/dbraw/zinc/73/15/28/1067731528.db2.gz RMLAHPDEBZUBEK-QZTJIDSGSA-N 1 1 457.640 4.930 20 0 JJADMO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)[N@H+](Cc1ccccn1)CC(C)C)C[C@H](C)CC2 ZINC001460833587 1067731537 /nfs/dbraw/zinc/73/15/37/1067731537.db2.gz RMLAHPDEBZUBEK-QZTJIDSGSA-N 1 1 457.640 4.930 20 0 JJADMO CC(C)(C)OC(=O)NCC[C@H]1CN(Cc2cccc(C[NH+]3CCOCC3)c2)c2ccccc21 ZINC001460837479 1067732281 /nfs/dbraw/zinc/73/22/81/1067732281.db2.gz PBBJDQJMDLZHTD-QHCPKHFHSA-N 1 1 451.611 4.537 20 0 JJADMO C[C@H]1C[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001460837902 1067732466 /nfs/dbraw/zinc/73/24/66/1067732466.db2.gz REJFBRSZKORVMN-KXBFYZLASA-N 1 1 459.414 4.517 20 0 JJADMO C[C@H]1C[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001460837902 1067732470 /nfs/dbraw/zinc/73/24/70/1067732470.db2.gz REJFBRSZKORVMN-KXBFYZLASA-N 1 1 459.414 4.517 20 0 JJADMO CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCC[N@@H+]2Cc1nc2cc(Br)ccc2o1 ZINC001460847422 1067734234 /nfs/dbraw/zinc/73/42/34/1067734234.db2.gz AQKGRPUUFBVTEU-SPLOXXLWSA-N 1 1 450.377 4.860 20 0 JJADMO CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCC[N@H+]2Cc1nc2cc(Br)ccc2o1 ZINC001460847422 1067734239 /nfs/dbraw/zinc/73/42/39/1067734239.db2.gz AQKGRPUUFBVTEU-SPLOXXLWSA-N 1 1 450.377 4.860 20 0 JJADMO CC(C)(C)OC(=O)NCC1([C@@H]2CCCC[N@H+]2Cc2cccc(CN3CCOCC3)c2)CCC1 ZINC001460851432 1067734694 /nfs/dbraw/zinc/73/46/94/1067734694.db2.gz VEAZFDXEWCTNPT-DEOSSOPVSA-N 1 1 457.659 4.568 20 0 JJADMO CCC1(CC)CN(c2nnc(Cc3ccccn3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CCS1 ZINC001546119565 1067734718 /nfs/dbraw/zinc/73/47/18/1067734718.db2.gz HWFCSIQGPWVMSR-QFIPXVFZSA-N 1 1 470.731 4.744 20 0 JJADMO O=C(C[NH+]1CCC(CC2CCCCC2)CC1)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC001460855783 1067735677 /nfs/dbraw/zinc/73/56/77/1067735677.db2.gz HXICJSZNAJSSCM-NRFANRHFSA-N 1 1 451.533 4.975 20 0 JJADMO C[C@@]1(NCCCOc2ccc(S(C)(=O)=O)cc2)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001460876654 1067740502 /nfs/dbraw/zinc/74/05/02/1067740502.db2.gz XDRWTXPBMMUULE-WUFINQPMSA-N 1 1 478.658 4.507 20 0 JJADMO C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001460879688 1067740738 /nfs/dbraw/zinc/74/07/38/1067740738.db2.gz AEWUMQCTSJCBFE-KCZVDYSFSA-N 1 1 467.610 4.685 20 0 JJADMO COc1cc(Br)ccc1CCC[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001460884589 1067742266 /nfs/dbraw/zinc/74/22/66/1067742266.db2.gz ZKVXEMOPIFXAAP-SJLPKXTDSA-N 1 1 455.437 4.873 20 0 JJADMO Cc1ccc(-c2csc(NC(=O)[C@H](C)[N@@H+]3C[C@H]4CCN(C(=O)OC(C)(C)C)C[C@H]4C3)n2)cc1 ZINC001460890764 1067744299 /nfs/dbraw/zinc/74/42/99/1067744299.db2.gz XZQZHMYOLYFIED-SXLOBPIMSA-N 1 1 470.639 4.634 20 0 JJADMO Cc1ccc(-c2csc(NC(=O)[C@H](C)[N@H+]3C[C@H]4CCN(C(=O)OC(C)(C)C)C[C@H]4C3)n2)cc1 ZINC001460890764 1067744307 /nfs/dbraw/zinc/74/43/07/1067744307.db2.gz XZQZHMYOLYFIED-SXLOBPIMSA-N 1 1 470.639 4.634 20 0 JJADMO CCCCOc1ccc(-c2nnc(C[N@@H+]3CC[C@@H]4CC[C@]43CNC(=O)OC(C)(C)C)o2)cc1 ZINC001460910342 1067746653 /nfs/dbraw/zinc/74/66/53/1067746653.db2.gz USFSITVBCXNFBM-DFBJGRDBSA-N 1 1 456.587 4.795 20 0 JJADMO CCCCOc1ccc(-c2nnc(C[N@H+]3CC[C@@H]4CC[C@]43CNC(=O)OC(C)(C)C)o2)cc1 ZINC001460910342 1067746655 /nfs/dbraw/zinc/74/66/55/1067746655.db2.gz USFSITVBCXNFBM-DFBJGRDBSA-N 1 1 456.587 4.795 20 0 JJADMO C[C@H](NC(=O)C[N@@H+]1CCC[C@]12CCN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1Cl ZINC001460922529 1067748918 /nfs/dbraw/zinc/74/89/18/1067748918.db2.gz WQMMRPFGALGSCV-OYHNWAKOSA-N 1 1 456.414 4.646 20 0 JJADMO C[C@H](NC(=O)C[N@H+]1CCC[C@]12CCN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1Cl ZINC001460922529 1067748919 /nfs/dbraw/zinc/74/89/19/1067748919.db2.gz WQMMRPFGALGSCV-OYHNWAKOSA-N 1 1 456.414 4.646 20 0 JJADMO CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001460944227 1067751880 /nfs/dbraw/zinc/75/18/80/1067751880.db2.gz FMBIWZXDAJVWLK-VWLOTQADSA-N 1 1 451.652 4.889 20 0 JJADMO CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001460944226 1067751984 /nfs/dbraw/zinc/75/19/84/1067751984.db2.gz FMBIWZXDAJVWLK-RUZDIDTESA-N 1 1 451.652 4.889 20 0 JJADMO CCCCCCc1ccc(-c2csc(NC(=O)[C@@H](C)[N@@H+]3CC[C@@]4(CCOC4=O)C3)n2)cc1 ZINC001460971252 1067754616 /nfs/dbraw/zinc/75/46/16/1067754616.db2.gz GOVUDZSROICJCS-IQGLISFBSA-N 1 1 455.624 4.899 20 0 JJADMO CCCCCCc1ccc(-c2csc(NC(=O)[C@@H](C)[N@H+]3CC[C@@]4(CCOC4=O)C3)n2)cc1 ZINC001460971252 1067754622 /nfs/dbraw/zinc/75/46/22/1067754622.db2.gz GOVUDZSROICJCS-IQGLISFBSA-N 1 1 455.624 4.899 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@]12C[N@@H+](CC(=O)Nc3ccc(Cl)c(Cl)c3)C[C@@H]1CCCC2 ZINC001460970052 1067754683 /nfs/dbraw/zinc/75/46/83/1067754683.db2.gz GOKZMVCGFOAKRL-NYHFZMIOSA-N 1 1 456.414 4.949 20 0 JJADMO O=C(C[NH+]1CCC(OCc2ccc(Br)cc2)CC1)Nc1ccc(Cl)c(F)c1 ZINC001460973424 1067755035 /nfs/dbraw/zinc/75/50/35/1067755035.db2.gz NNZFJJUJLWXFGI-UHFFFAOYSA-N 1 1 455.755 4.861 20 0 JJADMO CC[N@H+](Cc1nc2ccc(Br)cc2n1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460989541 1067758375 /nfs/dbraw/zinc/75/83/75/1067758375.db2.gz XBLKDQDUZMCHJE-INIZCTEOSA-N 1 1 451.409 4.557 20 0 JJADMO CC[N@@H+](Cc1nc2ccc(Br)cc2n1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460989541 1067758381 /nfs/dbraw/zinc/75/83/81/1067758381.db2.gz XBLKDQDUZMCHJE-INIZCTEOSA-N 1 1 451.409 4.557 20 0 JJADMO CC(C)N(C(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001461116398 1067784444 /nfs/dbraw/zinc/78/44/44/1067784444.db2.gz RWXQSNFLPJFTJR-HXUWFJFHSA-N 1 1 458.484 4.881 20 0 JJADMO Cc1nn(-c2ccccc2Br)cc1CNC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001461122692 1067785674 /nfs/dbraw/zinc/78/56/74/1067785674.db2.gz ULMVIBSSBICBFS-NRFANRHFSA-N 1 1 453.428 4.945 20 0 JJADMO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001461122692 1067785694 /nfs/dbraw/zinc/78/56/94/1067785694.db2.gz ULMVIBSSBICBFS-NRFANRHFSA-N 1 1 453.428 4.945 20 0 JJADMO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC001461177010 1067793137 /nfs/dbraw/zinc/79/31/37/1067793137.db2.gz GETHVIGNPPXCPU-GOSISDBHSA-N 1 1 457.594 4.560 20 0 JJADMO COc1ccc([C@@H]([NH2+]Cc2c3c(nn2C)CCSC3)c2ccccc2)cc1Br ZINC001461190378 1067795924 /nfs/dbraw/zinc/79/59/24/1067795924.db2.gz QENCFDHICQBEDK-QFIPXVFZSA-N 1 1 458.425 4.860 20 0 JJADMO Fc1ccc([C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc2I)cc1 ZINC001461202211 1067798516 /nfs/dbraw/zinc/79/85/16/1067798516.db2.gz LEEDLZDFVREHQD-WFXMLNOXSA-N 1 1 450.339 4.736 20 0 JJADMO O=C1[C@H]([NH2+]Cc2cc(Br)ccc2Cl)CCCN1c1ccc(OC(F)F)cc1 ZINC001461209527 1067799909 /nfs/dbraw/zinc/79/99/09/1067799909.db2.gz MHUXOMMAMVDBTO-QGZVFWFLSA-N 1 1 459.718 4.989 20 0 JJADMO C[C@@H](CNC(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccc(F)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001461215942 1067801013 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/nfs/dbraw/zinc/83/34/10/1067833410.db2.gz IATYCSSABKVHTA-UHFFFAOYSA-N 1 1 452.299 4.843 20 0 JJADMO CN(C)Cc1ccc(C[NH2+]CCc2cccc(OCc3ccccc3)c2)c2c1OC(F)(F)O2 ZINC001461346315 1067835178 /nfs/dbraw/zinc/83/51/78/1067835178.db2.gz HWAXBHWJJLRQII-UHFFFAOYSA-N 1 1 454.517 4.981 20 0 JJADMO CC[NH+](CC)CCN(C(=O)c1cc(S(=O)(=O)CC)ccc1Cl)c1ccc(Cl)cc1 ZINC001461409523 1067848678 /nfs/dbraw/zinc/84/86/78/1067848678.db2.gz JLSKFVOKMBXEFF-UHFFFAOYSA-N 1 1 457.423 4.776 20 0 JJADMO COc1cc(C[NH2+][C@@H](CO)c2cnn(C)c2)ccc1OCc1c(C)cc(C(C)(C)C)cc1C ZINC001461416245 1067850954 /nfs/dbraw/zinc/85/09/54/1067850954.db2.gz ZVPXSAHHNOWGLF-DEOSSOPVSA-N 1 1 451.611 4.745 20 0 JJADMO COCCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC001461438786 1067856776 /nfs/dbraw/zinc/85/67/76/1067856776.db2.gz ZMLVIPBWRMNRIL-UHFFFAOYSA-N 1 1 454.375 4.963 20 0 JJADMO CC(C)(C)OC(=O)N1Cc2ccc(C[NH2+]Cc3nc(C(F)(F)F)n4c3CCCC4)cc2C1 ZINC001461438882 1067856920 /nfs/dbraw/zinc/85/69/20/1067856920.db2.gz YMPOUGHFAXHNGS-UHFFFAOYSA-N 1 1 450.505 4.779 20 0 JJADMO CC(C)(C)OC(=O)Nc1cnc(C[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)cn1 ZINC001461457980 1067861281 /nfs/dbraw/zinc/86/12/81/1067861281.db2.gz UIQQKMOAUQFXEX-SFHVURJKSA-N 1 1 451.340 4.966 20 0 JJADMO Fc1c(Br)ccc(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)c1F ZINC001461464045 1067863102 /nfs/dbraw/zinc/86/31/02/1067863102.db2.gz QBJDRJWIFMVJFE-UHFFFAOYSA-N 1 1 457.116 4.965 20 0 JJADMO Oc1ccc(Br)c(C[NH2+]Cc2ccc(I)c(Cl)c2)c1 ZINC001461465266 1067863753 /nfs/dbraw/zinc/86/37/53/1067863753.db2.gz QTXWTEYMEYUAPS-UHFFFAOYSA-N 1 1 452.517 4.703 20 0 JJADMO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]Cc1cccc(OCC(F)(F)F)n1 ZINC001461487176 1067873195 /nfs/dbraw/zinc/87/31/95/1067873195.db2.gz JGICVNWRXUPVNJ-UHFFFAOYSA-N 1 1 455.278 4.569 20 0 JJADMO C[NH+]1CCC(Oc2ccc(CNCc3cccc(Br)c3OC(F)F)cc2)CC1 ZINC001461491817 1067874564 /nfs/dbraw/zinc/87/45/64/1067874564.db2.gz CFNWWQADNXQMBL-UHFFFAOYSA-N 1 1 455.343 4.813 20 0 JJADMO 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/nfs/dbraw/zinc/94/81/74/1067948174.db2.gz VSCDLJWUPMQFEX-RUZDIDTESA-N 1 1 451.998 4.681 20 0 JJADMO C[N@H+](Cc1sc(N2CCOCC2)nc1Cl)CC1(c2ccc(Br)cc2)CC1 ZINC001461868733 1067950878 /nfs/dbraw/zinc/95/08/78/1067950878.db2.gz PAIWGHNSYBYNFU-UHFFFAOYSA-N 1 1 456.837 4.559 20 0 JJADMO C[N@@H+](Cc1sc(N2CCOCC2)nc1Cl)CC1(c2ccc(Br)cc2)CC1 ZINC001461868733 1067950888 /nfs/dbraw/zinc/95/08/88/1067950888.db2.gz PAIWGHNSYBYNFU-UHFFFAOYSA-N 1 1 456.837 4.559 20 0 JJADMO CCOc1cc(C[N@@H+]2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc(Br)c1O ZINC001461893852 1067956228 /nfs/dbraw/zinc/95/62/28/1067956228.db2.gz CFBHJBGIMUROCC-OAHLLOKOSA-N 1 1 457.409 4.632 20 0 JJADMO CCOc1cc(C[N@H+]2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc(Br)c1O ZINC001461893852 1067956232 /nfs/dbraw/zinc/95/62/32/1067956232.db2.gz CFBHJBGIMUROCC-OAHLLOKOSA-N 1 1 457.409 4.632 20 0 JJADMO Cc1c(Br)cc(C[N@@H+](C)C[C@@H](O)COCc2ccccc2)cc1Br ZINC001461906820 1067958840 /nfs/dbraw/zinc/95/88/40/1067958840.db2.gz LVDFGCPIZDRWFH-QGZVFWFLSA-N 1 1 457.206 4.530 20 0 JJADMO C[N@H+](Cc1c(F)ccc(C2OCCO2)c1Cl)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001461904768 1067958889 /nfs/dbraw/zinc/95/88/89/1067958889.db2.gz BYHRROQNMKIZHQ-XYPWUTKMSA-N 1 1 454.970 4.887 20 0 JJADMO C[N@@H+](Cc1c(F)ccc(C2OCCO2)c1Cl)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001461904768 1067958895 /nfs/dbraw/zinc/95/88/95/1067958895.db2.gz BYHRROQNMKIZHQ-XYPWUTKMSA-N 1 1 454.970 4.887 20 0 JJADMO CC(C)(C)OC(=O)Nc1ccc(C[NH+]2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)cc1 ZINC001461912056 1067960023 /nfs/dbraw/zinc/96/00/23/1067960023.db2.gz PSPRTFQACYSKFC-UHFFFAOYSA-N 1 1 455.990 4.653 20 0 JJADMO CCCCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)C1 ZINC001461956641 1067968803 /nfs/dbraw/zinc/96/88/03/1067968803.db2.gz GUGNQHHIYJCXJU-HSZRJFAPSA-N 1 1 457.659 4.888 20 0 JJADMO CC[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cccc(COc2ccccc2)c1 ZINC001461956788 1067968823 /nfs/dbraw/zinc/96/88/23/1067968823.db2.gz TYZUEYFJDUYIGR-UHFFFAOYSA-N 1 1 459.590 4.563 20 0 JJADMO CC[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cccc(COc2ccccc2)c1 ZINC001461956788 1067968829 /nfs/dbraw/zinc/96/88/29/1067968829.db2.gz TYZUEYFJDUYIGR-UHFFFAOYSA-N 1 1 459.590 4.563 20 0 JJADMO CCN(C1CC[NH+](Cc2ccc(Oc3ccc(F)c(C)c3)cc2Cl)CC1)S(C)(=O)=O ZINC001461978686 1067973972 /nfs/dbraw/zinc/97/39/72/1067973972.db2.gz XHDXDOLCVCFWAE-UHFFFAOYSA-N 1 1 454.995 4.826 20 0 JJADMO C[C@@H]1C[C@H](N(C)Cc2cccc(F)c2I)CC[N@H+]1Cc1ccccc1 ZINC001461989080 1067976199 /nfs/dbraw/zinc/97/61/99/1067976199.db2.gz ZALZWDNGMCFPHR-VQIMIIECSA-N 1 1 452.355 4.915 20 0 JJADMO CC(=O)N(c1nc(CN[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cs1)c1ccc(F)cc1F ZINC001462045772 1067988848 /nfs/dbraw/zinc/98/88/48/1067988848.db2.gz FICHXWBQXNDRFA-AOMKIAJQSA-N 1 1 456.562 4.716 20 0 JJADMO CNC(=O)c1ccc(C[N@H+](C)Cc2cn(-c3ccc(Br)cc3)nc2C(C)C)cc1 ZINC001462052641 1067991175 /nfs/dbraw/zinc/99/11/75/1067991175.db2.gz IPXMYDQKSKFDFW-UHFFFAOYSA-N 1 1 455.400 4.750 20 0 JJADMO CNC(=O)c1ccc(C[N@@H+](C)Cc2cn(-c3ccc(Br)cc3)nc2C(C)C)cc1 ZINC001462052641 1067991181 /nfs/dbraw/zinc/99/11/81/1067991181.db2.gz IPXMYDQKSKFDFW-UHFFFAOYSA-N 1 1 455.400 4.750 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)c2cnc(OC(C)C)c(Cl)c2)cc1 ZINC001462109400 1068006067 /nfs/dbraw/zinc/00/60/67/1068006067.db2.gz QKESCQDIJPDVSN-UKILVPOCSA-N 1 1 480.008 4.929 20 0 JJADMO COc1cc(Cl)c(Br)cc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001462121612 1068009169 /nfs/dbraw/zinc/00/91/69/1068009169.db2.gz KSIANXOXUNLRCF-GOEBONIOSA-N 1 1 451.792 4.609 20 0 JJADMO Cc1nn(-c2cccc(Br)c2)cc1C[N@H+](C[C@H](O)COc1ccccc1)C(C)C ZINC001462154587 1068018136 /nfs/dbraw/zinc/01/81/36/1068018136.db2.gz IZXZIADUXQMOEH-QFIPXVFZSA-N 1 1 458.400 4.594 20 0 JJADMO C[C@@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nc(-c2ccc(Br)cc2)no1 ZINC001462181495 1068023298 /nfs/dbraw/zinc/02/32/98/1068023298.db2.gz ARUHNYAGMBHERK-CJNGLKHVSA-N 1 1 451.365 4.549 20 0 JJADMO O=C(Nc1ccc(C(=O)C(F)(F)F)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001462183875 1068024386 /nfs/dbraw/zinc/02/43/86/1068024386.db2.gz DMRNQDSOICSVLO-RTBURBONSA-N 1 1 459.493 4.742 20 0 JJADMO C[C@@H]1CCCN(C(=O)OC[C@H]2CCCC[N@@H+]2Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC001462222833 1068031655 /nfs/dbraw/zinc/03/16/55/1068031655.db2.gz CTOZIYFMRLIOTG-IAGOWNOFSA-N 1 1 452.621 4.713 20 0 JJADMO C[C@@H]1CCCN(C(=O)OC[C@H]2CCCC[N@H+]2Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC001462222833 1068031669 /nfs/dbraw/zinc/03/16/69/1068031669.db2.gz CTOZIYFMRLIOTG-IAGOWNOFSA-N 1 1 452.621 4.713 20 0 JJADMO Fc1ccc(I)c(F)c1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC001462225371 1068032339 /nfs/dbraw/zinc/03/23/39/1068032339.db2.gz MDAJCGVLMLCVJU-ALKREAHSSA-N 1 1 455.286 4.574 20 0 JJADMO Fc1ccc(I)c(F)c1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC001462225371 1068032348 /nfs/dbraw/zinc/03/23/48/1068032348.db2.gz MDAJCGVLMLCVJU-ALKREAHSSA-N 1 1 455.286 4.574 20 0 JJADMO Fc1ccc(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(I)c1 ZINC001462227505 1068033221 /nfs/dbraw/zinc/03/32/21/1068033221.db2.gz UJVSHRRPSQQTNU-NRFANRHFSA-N 1 1 450.339 4.528 20 0 JJADMO CC(C)(C)OC(=O)NCC[C@H]([NH2+]C1CC(c2ccc(Br)cc2F)C1)C(F)F ZINC001462248939 1068037692 /nfs/dbraw/zinc/03/76/92/1068037692.db2.gz RBHUIJDRGCAWRZ-TZDAIYRESA-N 1 1 451.327 4.972 20 0 JJADMO Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)/C=C\c2cc(C(F)(F)F)ccc2Cl)C1 ZINC001462256659 1068039410 /nfs/dbraw/zinc/03/94/10/1068039410.db2.gz CYLPCJKNEBWDPG-QKWWCAPFSA-N 1 1 452.904 4.698 20 0 JJADMO Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)/C=C\c2cc(C(F)(F)F)ccc2Cl)C1 ZINC001462256659 1068039423 /nfs/dbraw/zinc/03/94/23/1068039423.db2.gz CYLPCJKNEBWDPG-QKWWCAPFSA-N 1 1 452.904 4.698 20 0 JJADMO CC(=O)c1ccc(Oc2ccc(C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4C)CCO3)cc2)cc1 ZINC001462262391 1068040519 /nfs/dbraw/zinc/04/05/19/1068040519.db2.gz UKBFAMCHAZVIJC-HHHXNRCGSA-N 1 1 458.558 4.621 20 0 JJADMO CC(=O)c1ccc(Oc2ccc(C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4C)CCO3)cc2)cc1 ZINC001462262391 1068040536 /nfs/dbraw/zinc/04/05/36/1068040536.db2.gz UKBFAMCHAZVIJC-HHHXNRCGSA-N 1 1 458.558 4.621 20 0 JJADMO C[N@@H+](CC(=O)NC(c1ccccc1)c1ccccc1)CC1(CNC(=O)OC(C)(C)C)CCC1 ZINC001462281495 1068042846 /nfs/dbraw/zinc/04/28/46/1068042846.db2.gz UYVCYCCEWYDJMY-UHFFFAOYSA-N 1 1 451.611 4.519 20 0 JJADMO CN1CCN(c2cccc(Cl)c2C[NH2+]CCC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC001462283439 1068043716 /nfs/dbraw/zinc/04/37/16/1068043716.db2.gz MHMXPEGTDHRQEA-UHFFFAOYSA-N 1 1 455.817 4.517 20 0 JJADMO C[C@H]1CC[N@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001462314939 1068049723 /nfs/dbraw/zinc/04/97/23/1068049723.db2.gz PVFXWTCHSGZORQ-GJZGRUSLSA-N 1 1 454.402 4.557 20 0 JJADMO C[C@H]1CC[N@@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001462314939 1068049733 /nfs/dbraw/zinc/04/97/33/1068049733.db2.gz PVFXWTCHSGZORQ-GJZGRUSLSA-N 1 1 454.402 4.557 20 0 JJADMO COC(=O)c1ccc(C[NH+]2CC(Cc3cccc(OC(F)(F)F)c3)C2)cc1Br ZINC001462321339 1068050713 /nfs/dbraw/zinc/05/07/13/1068050713.db2.gz MZRXISJBRWEIPD-UHFFFAOYSA-N 1 1 458.274 4.809 20 0 JJADMO CCC1(Cn2c(-c3ccc(Br)cc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)CCC1 ZINC001546130837 1068051382 /nfs/dbraw/zinc/05/13/82/1068051382.db2.gz GBHWVWYNVMMZDD-UHFFFAOYSA-N 1 1 490.490 4.835 20 0 JJADMO CCC1(Cn2c(-c3ccc(Br)cc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)CCC1 ZINC001546130837 1068051394 /nfs/dbraw/zinc/05/13/94/1068051394.db2.gz GBHWVWYNVMMZDD-UHFFFAOYSA-N 1 1 490.490 4.835 20 0 JJADMO CCc1cccc(NC(=O)C[NH2+]Cc2cc(Br)c([C@@H](C)OCOC)cc2F)c1 ZINC001462359381 1068059063 /nfs/dbraw/zinc/05/90/63/1068059063.db2.gz CFZOKWQZBUZEGB-CQSZACIVSA-N 1 1 453.352 4.560 20 0 JJADMO COC(=O)c1ccccc1-c1ccc(C[NH2+]CC(=O)Nc2ccc(Br)cc2C)o1 ZINC001462364320 1068060780 /nfs/dbraw/zinc/06/07/80/1068060780.db2.gz ZSJWSAUMMRSPEW-UHFFFAOYSA-N 1 1 457.324 4.532 20 0 JJADMO C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1cc(F)ccc1Oc1cncc(Cl)c1 ZINC001462371892 1068061502 /nfs/dbraw/zinc/06/15/02/1068061502.db2.gz HPHGSLQBBJAETQ-UHFFFAOYSA-N 1 1 453.901 4.785 20 0 JJADMO C[C@H]1CC[C@H]([NH2+]Cc2c(F)c(F)c(Br)c(F)c2F)CN1C(=O)OC(C)(C)C ZINC001462369054 1068061642 /nfs/dbraw/zinc/06/16/42/1068061642.db2.gz CPRPDHXSJQRFGH-UWVGGRQHSA-N 1 1 455.290 4.883 20 0 JJADMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC001462380205 1068063244 /nfs/dbraw/zinc/06/32/44/1068063244.db2.gz GAVHWWDWTMXSKX-SLFFLAALSA-N 1 1 466.569 4.688 20 0 JJADMO CC(C)(C)[C@]1(CNc2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001462388948 1068064459 /nfs/dbraw/zinc/06/44/59/1068064459.db2.gz AESKNIIRSCPIDN-VWLOTQADSA-N 1 1 459.631 4.617 20 0 JJADMO Cc1ccc(-n2c(Cl)c(CN3CC[C@H]([N@@H+](C)CCc4ccccc4)C3)nc2N(C)C)cc1 ZINC001462411249 1068068739 /nfs/dbraw/zinc/06/87/39/1068068739.db2.gz FGPIIAOQPPJYKB-QHCPKHFHSA-N 1 1 452.046 4.649 20 0 JJADMO C[C@H]1CN(c2ccccc2C[N@H+]2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)CCO1 ZINC001462424775 1068071884 /nfs/dbraw/zinc/07/18/84/1068071884.db2.gz GLTUSPSQGZAGAP-JTHBVZDNSA-N 1 1 457.659 4.771 20 0 JJADMO Cc1ccc(OCCCC(=O)N2CC[C@]3(C2)C[N@@H+](Cc2ccccc2)C[C@@H](C)O3)c(Cl)c1 ZINC001462436216 1068073895 /nfs/dbraw/zinc/07/38/95/1068073895.db2.gz FHILNNIIOVDMPC-QFQXNSOFSA-N 1 1 457.014 4.699 20 0 JJADMO Cc1ccc(OCCCC(=O)N2CC[C@]3(C2)C[N@H+](Cc2ccccc2)C[C@@H](C)O3)c(Cl)c1 ZINC001462436216 1068073909 /nfs/dbraw/zinc/07/39/09/1068073909.db2.gz FHILNNIIOVDMPC-QFQXNSOFSA-N 1 1 457.014 4.699 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]1C(=O)OC(C)(C)C ZINC001462442324 1068075143 /nfs/dbraw/zinc/07/51/43/1068075143.db2.gz QROFWFJITDBHMD-APWZRJJASA-N 1 1 450.645 4.841 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)C2)O1 ZINC001462449384 1068076996 /nfs/dbraw/zinc/07/69/96/1068076996.db2.gz YDOFRLNKKGSZDK-OPAMFIHVSA-N 1 1 452.904 4.864 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)C2)O1 ZINC001462449384 1068077012 /nfs/dbraw/zinc/07/70/12/1068077012.db2.gz YDOFRLNKKGSZDK-OPAMFIHVSA-N 1 1 452.904 4.864 20 0 JJADMO Cc1scc(C[N@H+]2CCC[C@H](c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)n[nH]3)C2)c1C ZINC001462454895 1068078436 /nfs/dbraw/zinc/07/84/36/1068078436.db2.gz YGVRHJFQBBPXIO-IBGZPJMESA-N 1 1 459.660 4.525 20 0 JJADMO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(Cc3cccc(F)c3OCC(F)(F)F)C2)ccn1 ZINC001462460713 1068079169 /nfs/dbraw/zinc/07/91/69/1068079169.db2.gz ZHAFOBITZZTWHB-FQEVSTJZSA-N 1 1 455.496 4.655 20 0 JJADMO CN(C)C(=O)NCCc1ccc(N[C@H]2CC[N@H+](C)[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC001462490896 1068084619 /nfs/dbraw/zinc/08/46/19/1068084619.db2.gz KGXSPIQAKCEEKW-FCHUYYIVSA-N 1 1 459.432 4.510 20 0 JJADMO CN(C)C(=O)NCCc1ccc(N[C@H]2CC[N@@H+](C)[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC001462490896 1068084626 /nfs/dbraw/zinc/08/46/26/1068084626.db2.gz KGXSPIQAKCEEKW-FCHUYYIVSA-N 1 1 459.432 4.510 20 0 JJADMO COC(=O)c1ccc(Cl)c(CN[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)c1 ZINC001462509498 1068087934 /nfs/dbraw/zinc/08/79/34/1068087934.db2.gz SDYTZBGKOOQEJE-AZGAKELHSA-N 1 1 464.993 4.893 20 0 JJADMO COC(=O)c1ccc(Cl)c(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)c1 ZINC001462509498 1068087951 /nfs/dbraw/zinc/08/79/51/1068087951.db2.gz SDYTZBGKOOQEJE-AZGAKELHSA-N 1 1 464.993 4.893 20 0 JJADMO CCOc1cc(C[N@H+]2CCC[C@H](OC3CCC3)CC2)ccc1OCc1ccc(C(=O)OC)o1 ZINC001462515785 1068089489 /nfs/dbraw/zinc/08/94/89/1068089489.db2.gz NSRQQCUXLUKMRC-NRFANRHFSA-N 1 1 457.567 4.968 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(Cc3c(F)cc(Br)cc3F)C2)O1 ZINC001462538854 1068094580 /nfs/dbraw/zinc/09/45/80/1068094580.db2.gz ZQHQCHNENIWWKR-ZHRRBRCNSA-N 1 1 451.355 4.593 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCC[N@H+]([C@@H]2CCC3(C[C@@H]2F)OCCO3)C1)C1CCCC1 ZINC001462561495 1068098492 /nfs/dbraw/zinc/09/84/92/1068098492.db2.gz CMFPNQRZKUJHIR-VXSCBNMQSA-N 1 1 454.627 4.806 20 0 JJADMO CC(C)c1cc([C@H]2CCC[N@@H+](Cc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)o3)C2)[nH]n1 ZINC001462562012 1068098795 /nfs/dbraw/zinc/09/87/95/1068098795.db2.gz KNKGEPNGLSYYNB-IBGZPJMESA-N 1 1 457.619 4.563 20 0 JJADMO CC(C)c1cc([C@H]2CCC[N@H+](Cc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)o3)C2)n[nH]1 ZINC001462562012 1068098811 /nfs/dbraw/zinc/09/88/11/1068098811.db2.gz KNKGEPNGLSYYNB-IBGZPJMESA-N 1 1 457.619 4.563 20 0 JJADMO CC(C)c1cc([C@H]2CCC[N@@H+](Cc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)o3)C2)n[nH]1 ZINC001462562012 1068098829 /nfs/dbraw/zinc/09/88/29/1068098829.db2.gz KNKGEPNGLSYYNB-IBGZPJMESA-N 1 1 457.619 4.563 20 0 JJADMO COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C[N@@H+](C[C@H](C)c1ccc(C(F)(F)F)cc1)C2 ZINC001462575838 1068102412 /nfs/dbraw/zinc/10/24/12/1068102412.db2.gz FBAMCQVABKQJIA-NSNOHRKYSA-N 1 1 470.532 4.587 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(Br)s2)CC1(C)C ZINC001462581470 1068103975 /nfs/dbraw/zinc/10/39/75/1068103975.db2.gz ADUSAGIBWUJQED-CQSZACIVSA-N 1 1 455.422 4.636 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(Br)s2)CC1(C)C ZINC001462581470 1068103980 /nfs/dbraw/zinc/10/39/80/1068103980.db2.gz ADUSAGIBWUJQED-CQSZACIVSA-N 1 1 455.422 4.636 20 0 JJADMO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(Br)s2)CC1(C)C ZINC001462581467 1068104003 /nfs/dbraw/zinc/10/40/03/1068104003.db2.gz ADUSAGIBWUJQED-AWEZNQCLSA-N 1 1 455.422 4.636 20 0 JJADMO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(Br)s2)CC1(C)C ZINC001462581467 1068104012 /nfs/dbraw/zinc/10/40/12/1068104012.db2.gz ADUSAGIBWUJQED-AWEZNQCLSA-N 1 1 455.422 4.636 20 0 JJADMO CC(C)(C)OC(=O)N1CCO[C@@]2(CC[N@@H+](CC(c3ccc(F)cc3)c3ccc(F)cc3)C2)C1 ZINC001462590331 1068106567 /nfs/dbraw/zinc/10/65/67/1068106567.db2.gz YXFOSGNNYSHZNH-AREMUKBSSA-N 1 1 458.549 4.809 20 0 JJADMO Cc1c(Br)cc(C[N@H+](C)CC(=O)NCCC2=CCCCC2)cc1Br ZINC001462605223 1068110164 /nfs/dbraw/zinc/11/01/64/1068110164.db2.gz QNTHVIPDXMMXRX-UHFFFAOYSA-N 1 1 458.238 4.959 20 0 JJADMO Cc1c(Br)cc(C[N@@H+](C)CC(=O)NCCC2=CCCCC2)cc1Br ZINC001462605223 1068110169 /nfs/dbraw/zinc/11/01/69/1068110169.db2.gz QNTHVIPDXMMXRX-UHFFFAOYSA-N 1 1 458.238 4.959 20 0 JJADMO Cc1nn(-c2ccccc2Br)cc1C[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001462623230 1068115058 /nfs/dbraw/zinc/11/50/58/1068115058.db2.gz LDGIWHPFKSLQML-NVXWUHKLSA-N 1 1 463.420 4.536 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H](C2CC[NH+](Cc3cn(-c4ccc(F)cc4)nn3)CC2)CC1 ZINC001462624043 1068115533 /nfs/dbraw/zinc/11/55/33/1068115533.db2.gz UKCRVTFESUBENN-IBGZPJMESA-N 1 1 457.594 4.656 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2cnc(-c3cccc(Cl)c3)s2)CCOCC1 ZINC001462645666 1068122902 /nfs/dbraw/zinc/12/29/02/1068122902.db2.gz RIUKSNBHCLKQGE-UHFFFAOYSA-N 1 1 456.011 4.875 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)CCCn2ccc3cc(Cl)ccc32)CCOCC1 ZINC001462648068 1068123860 /nfs/dbraw/zinc/12/38/60/1068123860.db2.gz QFCQYGJPMXFKFW-UHFFFAOYSA-N 1 1 454.014 4.872 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2ccc(C3SCCCS3)cc2)CCOCC1 ZINC001462650305 1068123967 /nfs/dbraw/zinc/12/39/67/1068123967.db2.gz VXRRJFMOQIDZBG-UHFFFAOYSA-N 1 1 456.677 4.966 20 0 JJADMO O=C(CSc1ccc(Br)cc1)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001462766601 1068160282 /nfs/dbraw/zinc/16/02/82/1068160282.db2.gz YZQFSYWQXDCNQJ-QZTJIDSGSA-N 1 1 473.358 4.720 20 0 JJADMO O=C(CSc1ccc(Br)cc1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001462766601 1068160287 /nfs/dbraw/zinc/16/02/87/1068160287.db2.gz YZQFSYWQXDCNQJ-QZTJIDSGSA-N 1 1 473.358 4.720 20 0 JJADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNS(=O)(=O)c3c4ncsc4ccc3Cl)cc2)C1 ZINC001462827586 1068179592 /nfs/dbraw/zinc/17/95/92/1068179592.db2.gz BWGSKDFBRYFTCD-HNNXBMFYSA-N 1 1 450.029 4.660 20 0 JJADMO COc1ccc2c(c1)CCC(S(=O)(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)=C2 ZINC001462830002 1068181434 /nfs/dbraw/zinc/18/14/34/1068181434.db2.gz IOVIRLVLFFHDSU-BGYRXZFFSA-N 1 1 454.636 4.580 20 0 JJADMO CCN([C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC001462899357 1068208297 /nfs/dbraw/zinc/20/82/97/1068208297.db2.gz XHQBJWUMXCIDAX-UGKGYDQZSA-N 1 1 457.640 4.517 20 0 JJADMO CCc1nc(C[NH+]2CCC(CNC(=O)OCc3ccc(Br)cc3)CC2)cs1 ZINC001463089263 1068283021 /nfs/dbraw/zinc/28/30/21/1068283021.db2.gz BAERWVIQTIIAKH-UHFFFAOYSA-N 1 1 452.418 4.606 20 0 JJADMO COc1ccc(S(=O)(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)c2ccccc12 ZINC001463121416 1068294406 /nfs/dbraw/zinc/29/44/06/1068294406.db2.gz FCGSKRMDLLABIY-UHFFFAOYSA-N 1 1 450.560 4.552 20 0 JJADMO COc1ccc(S(=O)(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)c2ccccc12 ZINC001463121416 1068294413 /nfs/dbraw/zinc/29/44/13/1068294413.db2.gz FCGSKRMDLLABIY-UHFFFAOYSA-N 1 1 450.560 4.552 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC001463132977 1068297974 /nfs/dbraw/zinc/29/79/74/1068297974.db2.gz YLXSMXACPVWISK-UHFFFAOYSA-N 1 1 453.391 4.838 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC001463132977 1068297985 /nfs/dbraw/zinc/29/79/85/1068297985.db2.gz YLXSMXACPVWISK-UHFFFAOYSA-N 1 1 453.391 4.838 20 0 JJADMO O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001463226010 1068326957 /nfs/dbraw/zinc/32/69/57/1068326957.db2.gz QIARGQFRBWYLDD-OAQYLSRUSA-N 1 1 456.505 4.521 20 0 JJADMO CCOc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1C(C)C ZINC001463227127 1068327157 /nfs/dbraw/zinc/32/71/57/1068327157.db2.gz XRRZJVPEDJMEHZ-AREMUKBSSA-N 1 1 456.652 4.886 20 0 JJADMO CCOc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1C(C)C ZINC001463227128 1068327307 /nfs/dbraw/zinc/32/73/07/1068327307.db2.gz XRRZJVPEDJMEHZ-SANMLTNESA-N 1 1 456.652 4.886 20 0 JJADMO CCCC[N@@H+](CC)Cc1cccc(CNS(=O)(=O)c2ccc(Br)c(C)c2)c1 ZINC001463269841 1068340069 /nfs/dbraw/zinc/34/00/69/1068340069.db2.gz VMGDSYISHDDCJR-UHFFFAOYSA-N 1 1 453.446 4.858 20 0 JJADMO CCCOc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1CC ZINC001463278442 1068342191 /nfs/dbraw/zinc/34/21/91/1068342191.db2.gz GLHNJVHCTLANMD-ZCYQVOJMSA-N 1 1 456.652 4.713 20 0 JJADMO Cc1ccc(I)cc1C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001463341433 1068363118 /nfs/dbraw/zinc/36/31/18/1068363118.db2.gz CRLJVVIIOFCMIU-SVFBPWRDSA-N 1 1 474.386 4.630 20 0 JJADMO Cc1c(I)cccc1C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001463345227 1068365021 /nfs/dbraw/zinc/36/50/21/1068365021.db2.gz VJTYBYDOPSJEOR-AABGKKOBSA-N 1 1 474.386 4.630 20 0 JJADMO CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001463345200 1068365130 /nfs/dbraw/zinc/36/51/30/1068365130.db2.gz VJJQMQKUHYJYTM-MWIHYIROSA-N 1 1 451.636 4.543 20 0 JJADMO O=S(=O)(c1ccc(C(F)(F)F)s1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001463382524 1068378794 /nfs/dbraw/zinc/37/87/94/1068378794.db2.gz PGLSHBFOBYBAID-UHFFFAOYSA-N 1 1 452.951 4.707 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@]2(CCCCN2C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001463412849 1068389519 /nfs/dbraw/zinc/38/95/19/1068389519.db2.gz LTUZXDDMXUHYOZ-YIXXDRMTSA-N 1 1 455.643 4.681 20 0 JJADMO COc1cc(C(C)C)c(S(=O)(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cc1C ZINC001463564494 1068445639 /nfs/dbraw/zinc/44/56/39/1068445639.db2.gz NELVPYCGIHIVTB-IBGZPJMESA-N 1 1 458.546 4.727 20 0 JJADMO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001463568973 1068448962 /nfs/dbraw/zinc/44/89/62/1068448962.db2.gz GBHIKWRFUQBLFN-MRXNPFEDSA-N 1 1 454.436 4.614 20 0 JJADMO O=S(=O)(NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccc(OCC(F)F)c2ccccc21 ZINC001463614741 1068467041 /nfs/dbraw/zinc/46/70/41/1068467041.db2.gz VXWGOZNOPAWWEE-SFHVURJKSA-N 1 1 452.567 4.559 20 0 JJADMO Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H](c3ccc(Cl)cc3)[NH+](C)C)cc2)cc1 ZINC001463633951 1068476843 /nfs/dbraw/zinc/47/68/43/1068476843.db2.gz NGKLASOLSKDGKP-JOCHJYFZSA-N 1 1 457.983 4.691 20 0 JJADMO CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)cc2C1 ZINC001463651741 1068481647 /nfs/dbraw/zinc/48/16/47/1068481647.db2.gz ZBGLQCAXQWCPPI-QFIPXVFZSA-N 1 1 453.583 4.530 20 0 JJADMO COc1ccc(CCCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(OC)c1 ZINC001463657959 1068485208 /nfs/dbraw/zinc/48/52/08/1068485208.db2.gz WXIGMZMLQXQDQB-UHFFFAOYSA-N 1 1 458.602 4.960 20 0 JJADMO CC[NH+]1CCN(c2ccc(NC(=O)c3[nH]c(-c4cccc(C(F)(F)F)c4)nc3C)cc2)CC1 ZINC001463715334 1068503311 /nfs/dbraw/zinc/50/33/11/1068503311.db2.gz XYURKMQRAXMGPR-UHFFFAOYSA-N 1 1 457.500 4.798 20 0 JJADMO C[C@H](CCc1ccc(I)cc1)CC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC001463722390 1068504729 /nfs/dbraw/zinc/50/47/29/1068504729.db2.gz BGHGJHFCMDKTAZ-MSOLQXFVSA-N 1 1 456.412 4.631 20 0 JJADMO C[C@@H](CCc1ccc(I)cc1)CC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC001463722399 1068504870 /nfs/dbraw/zinc/50/48/70/1068504870.db2.gz BGHGJHFCMDKTAZ-ZWKOTPCHSA-N 1 1 456.412 4.631 20 0 JJADMO CC[N@@H+]1CCc2nc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)C3CCCCCC3)sc2C1 ZINC001463750599 1068512637 /nfs/dbraw/zinc/51/26/37/1068512637.db2.gz OYGKASPEYDFFHY-KRWDZBQOSA-N 1 1 450.649 4.571 20 0 JJADMO CC[N@H+]1CCc2nc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)C3CCCCCC3)sc2C1 ZINC001463750599 1068512642 /nfs/dbraw/zinc/51/26/42/1068512642.db2.gz OYGKASPEYDFFHY-KRWDZBQOSA-N 1 1 450.649 4.571 20 0 JJADMO O=S(=O)(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cc(C(F)(F)F)ccc1F ZINC001463768579 1068518199 /nfs/dbraw/zinc/51/81/99/1068518199.db2.gz OZNKCHMWLOZIJI-YQQQUEKLSA-N 1 1 456.505 4.709 20 0 JJADMO CC(C)(C)O[C@H](C(=O)NN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC001463802574 1068530744 /nfs/dbraw/zinc/53/07/44/1068530744.db2.gz WZJIGTGGYUQREK-MHZLTWQESA-N 1 1 457.618 4.981 20 0 JJADMO Cc1cc2cc(S(=O)(=O)N3C[C@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)[C@H]3C)ccc2nc1Cl ZINC001464006807 1068586992 /nfs/dbraw/zinc/58/69/92/1068586992.db2.gz VLYILQXSHXYZMD-GBESFXJTSA-N 1 1 458.027 4.869 20 0 JJADMO Cc1cc2cc(S(=O)(=O)N3C[C@H](C)[N@H+](Cc4ccccc4)[C@@H](C)[C@H]3C)ccc2nc1Cl ZINC001464006807 1068587006 /nfs/dbraw/zinc/58/70/06/1068587006.db2.gz VLYILQXSHXYZMD-GBESFXJTSA-N 1 1 458.027 4.869 20 0 JJADMO Cc1cc2cc(S(=O)(=O)N3C[C@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)[C@@H]3C)ccc2nc1Cl ZINC001464006803 1068587282 /nfs/dbraw/zinc/58/72/82/1068587282.db2.gz VLYILQXSHXYZMD-FHWLQOOXSA-N 1 1 458.027 4.869 20 0 JJADMO Cc1cc2cc(S(=O)(=O)N3C[C@H](C)[N@H+](Cc4ccccc4)[C@@H](C)[C@@H]3C)ccc2nc1Cl ZINC001464006803 1068587294 /nfs/dbraw/zinc/58/72/94/1068587294.db2.gz VLYILQXSHXYZMD-FHWLQOOXSA-N 1 1 458.027 4.869 20 0 JJADMO Cc1cc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)cnc1Br ZINC001546143918 1068599756 /nfs/dbraw/zinc/59/97/56/1068599756.db2.gz YXGULKRIAXSXBN-UHFFFAOYSA-N 1 1 457.199 4.854 20 0 JJADMO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)C[C@H]4C[C@H](C)CC(C)(C)C4)CC3)n2)cc1 ZINC001464077207 1068607090 /nfs/dbraw/zinc/60/70/90/1068607090.db2.gz WAJLQTIGJYKFQH-FCHUYYIVSA-N 1 1 452.643 4.974 20 0 JJADMO CC[C@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1)[N@H+]1CCc2ccccc2C1 ZINC001464103364 1068616706 /nfs/dbraw/zinc/61/67/06/1068616706.db2.gz YIOOIWWBVOWOGW-DNQXCXABSA-N 1 1 451.611 4.514 20 0 JJADMO CC[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCCC1)[N@H+]1CCc2ccccc2C1 ZINC001464103085 1068616741 /nfs/dbraw/zinc/61/67/41/1068616741.db2.gz XGKUSUIODUXEIM-ZEQRLZLVSA-N 1 1 457.659 4.803 20 0 JJADMO O=C([C@H](CO)c1ccc(Cl)cc1)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC001464103162 1068616792 /nfs/dbraw/zinc/61/67/92/1068616792.db2.gz MQRYZOHGJIEEIP-JOCHJYFZSA-N 1 1 458.986 4.628 20 0 JJADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001464157979 1068636961 /nfs/dbraw/zinc/63/69/61/1068636961.db2.gz NXFCNKISYHMKRT-AMGIVPHBSA-N 1 1 455.602 4.849 20 0 JJADMO C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001464160009 1068637720 /nfs/dbraw/zinc/63/77/20/1068637720.db2.gz ONPSMEFPDWANTN-CJFMBICVSA-N 1 1 457.578 4.958 20 0 JJADMO C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001464160009 1068637722 /nfs/dbraw/zinc/63/77/22/1068637722.db2.gz ONPSMEFPDWANTN-CJFMBICVSA-N 1 1 457.578 4.958 20 0 JJADMO CCN1CC[NH+](Cc2ccc(CNC(=O)c3csc(-c4ccc(Cl)cc4)n3)cc2)CC1 ZINC001464160019 1068638292 /nfs/dbraw/zinc/63/82/92/1068638292.db2.gz OOBMIUGXIVQFCC-UHFFFAOYSA-N 1 1 455.027 4.531 20 0 JJADMO Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1C(F)(F)F ZINC001464163116 1068639078 /nfs/dbraw/zinc/63/90/78/1068639078.db2.gz IKLAXKANTKDDHL-LJQANCHMSA-N 1 1 452.542 4.594 20 0 JJADMO COC(=O)c1cc(Br)cc(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1 ZINC001464175391 1068643561 /nfs/dbraw/zinc/64/35/61/1068643561.db2.gz RFLQTTCPWXPJIH-INIZCTEOSA-N 1 1 459.384 4.540 20 0 JJADMO CC(C)NC(=O)Nc1ccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)cc1 ZINC001464178484 1068644152 /nfs/dbraw/zinc/64/41/52/1068644152.db2.gz DOVPGBRBILLVCC-DNQXCXABSA-N 1 1 476.646 4.810 20 0 JJADMO C[C@H](CNC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[NH+]1CCN(c2ccccc2)CC1 ZINC001464192126 1068650839 /nfs/dbraw/zinc/65/08/39/1068650839.db2.gz CNSPWPYIVZPCRD-HXUWFJFHSA-N 1 1 451.655 4.928 20 0 JJADMO COc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccccc3C[N@@H+](C)C(C)C)s2)cc1 ZINC001464197406 1068652716 /nfs/dbraw/zinc/65/27/16/1068652716.db2.gz BIQWGHQFAHJOQN-UHFFFAOYSA-N 1 1 451.592 4.779 20 0 JJADMO C[C@H](CNC(=O)c1ccccc1NC(=O)c1cccc(Br)c1)[N@H+]1CCCC[C@H]1C ZINC001464201011 1068654132 /nfs/dbraw/zinc/65/41/32/1068654132.db2.gz QVYUPXOLIZGDEF-IAGOWNOFSA-N 1 1 458.400 4.694 20 0 JJADMO C[N@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1csc2ccccc12 ZINC001464201556 1068655020 /nfs/dbraw/zinc/65/50/20/1068655020.db2.gz YDWKFIZMKXCJPE-NRFANRHFSA-N 1 1 453.608 4.543 20 0 JJADMO Cc1ccc(Cl)c(S(=O)(=O)N[C@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)c1Cl ZINC001464206802 1068657506 /nfs/dbraw/zinc/65/75/06/1068657506.db2.gz PSIVOMFTFAAIQU-OAHLLOKOSA-N 1 1 455.329 4.902 20 0 JJADMO COc1ccc(C(C)(C)C)cc1S(=O)(=O)N[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC001464207729 1068658126 /nfs/dbraw/zinc/65/81/26/1068658126.db2.gz UWXRJVVIDAIMTP-GOSISDBHSA-N 1 1 458.546 4.593 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 ZINC001464215116 1068660524 /nfs/dbraw/zinc/66/05/24/1068660524.db2.gz IOKZTALGCDQBGX-UEXGIBASSA-N 1 1 452.039 4.780 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)cn1 ZINC001464216323 1068661044 /nfs/dbraw/zinc/66/10/44/1068661044.db2.gz LDEVYQDLOSUHNZ-FQEVSTJZSA-N 1 1 453.587 4.722 20 0 JJADMO Cc1nc(-c2ccc(S(=O)(=O)N[C@@H](C[NH+](C)C)c3ccc(Cl)c(Cl)c3)cc2)co1 ZINC001464217699 1068661164 /nfs/dbraw/zinc/66/11/64/1068661164.db2.gz KWIFWMNRHICCAJ-IBGZPJMESA-N 1 1 454.379 4.538 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001464220057 1068662514 /nfs/dbraw/zinc/66/25/14/1068662514.db2.gz SJDZUGCUISTNSJ-OYRHEFFESA-N 1 1 457.659 4.510 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC001464231897 1068667021 /nfs/dbraw/zinc/66/70/21/1068667021.db2.gz NWGAZXZGDKKELG-RRPNLBNLSA-N 1 1 478.658 4.939 20 0 JJADMO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001464236369 1068669252 /nfs/dbraw/zinc/66/92/52/1068669252.db2.gz MNYBECNZRKTYHY-IZZNHLLZSA-N 1 1 477.649 4.726 20 0 JJADMO COc1ccc2cc(/C=C/C(=O)NCCCCN3CC[NH+](Cc4ccccc4)CC3)ccc2c1 ZINC001464280234 1068688503 /nfs/dbraw/zinc/68/85/03/1068688503.db2.gz HIWKERQEBGZNME-GXDHUFHOSA-N 1 1 457.618 4.576 20 0 JJADMO COc1ccc2cc(/C=C\C(=O)NCCCCN3CC[NH+](Cc4ccccc4)CC3)ccc2c1 ZINC001464280238 1068688530 /nfs/dbraw/zinc/68/85/30/1068688530.db2.gz HIWKERQEBGZNME-UVTDQMKNSA-N 1 1 457.618 4.576 20 0 JJADMO C[C@@H]1C[C@H]2CC[C@@H](C(=O)N(CC(=O)Nc3ccccc3F)Cc3ccc(Cl)cc3)C[N@H+]2C1 ZINC001464280824 1068689310 /nfs/dbraw/zinc/68/93/10/1068689310.db2.gz JPVNFQURWWBGAV-YFVAEKQCSA-N 1 1 457.977 4.567 20 0 JJADMO CCc1c(C)nn(-c2cccc(C(=O)NC3CC[NH+](Cc4ccc(F)c(F)c4)CC3)c2)c1C ZINC001464329580 1068708083 /nfs/dbraw/zinc/70/80/83/1068708083.db2.gz QRKHCMGRTJIKRL-UHFFFAOYSA-N 1 1 452.549 4.724 20 0 JJADMO CCN(C(=O)Cc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)cc1)c1ccccc1 ZINC001464331768 1068709193 /nfs/dbraw/zinc/70/91/93/1068709193.db2.gz DYXOWKKEMLDCHN-SANMLTNESA-N 1 1 456.590 4.670 20 0 JJADMO CCN(C(=O)Cc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)cc1)c1ccccc1 ZINC001464331768 1068709201 /nfs/dbraw/zinc/70/92/01/1068709201.db2.gz DYXOWKKEMLDCHN-SANMLTNESA-N 1 1 456.590 4.670 20 0 JJADMO CCC1(Cn2c(CC(C)C)nnc2N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC001546146576 1068728236 /nfs/dbraw/zinc/72/82/36/1068728236.db2.gz WTNKEWRTAHEKSM-DEOSSOPVSA-N 1 1 453.675 4.784 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)cc1F ZINC001464418231 1068738772 /nfs/dbraw/zinc/73/87/72/1068738772.db2.gz GRTAGXZXYJKPAD-UHFFFAOYSA-N 1 1 455.843 4.505 20 0 JJADMO CC1(/C=C/C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)c(Cl)c2)CCOCC1 ZINC001464454868 1068752567 /nfs/dbraw/zinc/75/25/67/1068752567.db2.gz YDXGKPZVNGTJDO-MDZDMXLPSA-N 1 1 454.014 4.974 20 0 JJADMO CC[C@H](C)n1c(SCC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)nnc1-c1ccccc1 ZINC001464458307 1068753857 /nfs/dbraw/zinc/75/38/57/1068753857.db2.gz AYYBKZSUGAYBQM-ZCNNSNEGSA-N 1 1 457.688 4.881 20 0 JJADMO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001464472771 1068759657 /nfs/dbraw/zinc/75/96/57/1068759657.db2.gz OLUJNFLBVKUYSP-ICSRJNTNSA-N 1 1 455.027 4.878 20 0 JJADMO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001464552838 1068779478 /nfs/dbraw/zinc/77/94/78/1068779478.db2.gz OLBBOEVOALQXRY-KRWDZBQOSA-N 1 1 454.924 4.584 20 0 JJADMO C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)c2)C1 ZINC001464574155 1068787816 /nfs/dbraw/zinc/78/78/16/1068787816.db2.gz OGEVIHJNNMICDW-OFNKIYASSA-N 1 1 459.631 4.663 20 0 JJADMO CN(C(=O)c1ccc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1)c1ccccc1 ZINC001464661946 1068815976 /nfs/dbraw/zinc/81/59/76/1068815976.db2.gz BDMZWASUMLOUND-UHFFFAOYSA-N 1 1 455.602 4.744 20 0 JJADMO CCCN(C(=O)c1n[nH]c2ccc(Br)cc21)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001464674365 1068820357 /nfs/dbraw/zinc/82/03/57/1068820357.db2.gz KDRLMPFHDMXRDI-IBGZPJMESA-N 1 1 455.400 4.842 20 0 JJADMO CCCN(C(=O)c1[nH]nc2ccc(Br)cc21)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001464674365 1068820369 /nfs/dbraw/zinc/82/03/69/1068820369.db2.gz KDRLMPFHDMXRDI-IBGZPJMESA-N 1 1 455.400 4.842 20 0 JJADMO CCCN(C(=O)c1[nH]nc2ccc(Br)cc21)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001464674365 1068820381 /nfs/dbraw/zinc/82/03/81/1068820381.db2.gz KDRLMPFHDMXRDI-IBGZPJMESA-N 1 1 455.400 4.842 20 0 JJADMO CCCN(C(=O)c1cnn2c1N[C@H](C)C[C@@H]2C(F)(F)F)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001464679139 1068822068 /nfs/dbraw/zinc/82/20/68/1068822068.db2.gz YRPHDBBWYIMGAM-YFVAEKQCSA-N 1 1 463.548 4.707 20 0 JJADMO CC(C)Oc1ccc(F)cc1S(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001464710330 1068834017 /nfs/dbraw/zinc/83/40/17/1068834017.db2.gz VZTDJFBDHUPASA-BJKOFHAPSA-N 1 1 468.594 4.559 20 0 JJADMO O=C1Nc2ccccc2[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@H]12 ZINC001164402676 718858424 /nfs/dbraw/zinc/85/84/24/718858424.db2.gz LAYSQQLZJRMYEG-PMACEKPBSA-N 1 1 473.646 4.728 20 0 JJADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@@H]5C(=O)Nc6ccccc6[C@H]5C4)c23)C1 ZINC001164401070 718858450 /nfs/dbraw/zinc/85/84/50/718858450.db2.gz BTTBTHDFMJXMOD-AHRSYUTCSA-N 1 1 473.646 4.584 20 0 JJADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@H]5c6ccccc6NC(=O)[C@@H]5C3)n2)CCC4)CC1 ZINC001164404063 718858505 /nfs/dbraw/zinc/85/85/05/718858505.db2.gz OGCZMDGKIVPSFU-VQTJNVASSA-N 1 1 473.646 4.584 20 0 JJADMO O=C1Nc2ccccc2[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@@H]12 ZINC001164402678 718858551 /nfs/dbraw/zinc/85/85/51/718858551.db2.gz LAYSQQLZJRMYEG-VQTJNVASSA-N 1 1 473.646 4.728 20 0 JJADMO FC1(F)CO[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164426254 718928871 /nfs/dbraw/zinc/92/88/71/718928871.db2.gz YTLCFBWCLGXYMB-RTBURBONSA-N 1 1 456.562 4.815 20 0 JJADMO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164627373 719095740 /nfs/dbraw/zinc/09/57/40/719095740.db2.gz JYMFQSFXLLOTDE-UXHICEINSA-N 1 1 455.940 4.838 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC(n4c5ccccc5[nH]c4=O)CC3)c2c1C ZINC000514485112 719128852 /nfs/dbraw/zinc/12/88/52/719128852.db2.gz GAAZQZKXZUVKOO-UHFFFAOYSA-N 1 1 462.623 4.801 20 0 JJADMO CC(C)c1nccc([C@@H]2C[C@H]3CCN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C[C@@H]3O2)n1 ZINC001164638326 719260863 /nfs/dbraw/zinc/26/08/63/719260863.db2.gz OLBBQUMAHMNDNX-ICTDUYRTSA-N 1 1 469.633 4.910 20 0 JJADMO c1sc([C@@H]2C[C@H]3CN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C[C@H]3O2)nc1C1CC1 ZINC001164645068 719288379 /nfs/dbraw/zinc/28/83/79/719288379.db2.gz BGJQFYFGKUXVLC-GVXSCFBNSA-N 1 1 458.631 4.940 20 0 JJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)CC2 ZINC001164652214 719315506 /nfs/dbraw/zinc/31/55/06/719315506.db2.gz POFLDNDRPBTIJZ-UHFFFAOYSA-N 1 1 466.989 4.805 20 0 JJADMO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(-c4ccncc4)nc4sccc42)CC3)cc1 ZINC001164679269 719527954 /nfs/dbraw/zinc/52/79/54/719527954.db2.gz WNQAXTDNKMSEDG-UHFFFAOYSA-N 1 1 475.593 4.764 20 0 JJADMO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(-c4ccncc4)nc4sccc42)CC3)cc1 ZINC001164679269 719527964 /nfs/dbraw/zinc/52/79/64/719527964.db2.gz WNQAXTDNKMSEDG-UHFFFAOYSA-N 1 1 475.593 4.764 20 0 JJADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCC(=O)N3Cc3csc(C)n3)CC2)nc1 ZINC001164682499 719594285 /nfs/dbraw/zinc/59/42/85/719594285.db2.gz BYJMKIVQWSWWMP-QFIPXVFZSA-N 1 1 453.656 4.555 20 0 JJADMO Cc1cc2ccccc2c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164686259 719673249 /nfs/dbraw/zinc/67/32/49/719673249.db2.gz WVYPPJGCBWYISG-QHCPKHFHSA-N 1 1 456.634 4.637 20 0 JJADMO Cc1cc2ccccc2c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164686253 719673266 /nfs/dbraw/zinc/67/32/66/719673266.db2.gz WVYPPJGCBWYISG-HSZRJFAPSA-N 1 1 456.634 4.637 20 0 JJADMO COc1cc2nc(Cl)nc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)c2cc1OC ZINC001164692446 719807064 /nfs/dbraw/zinc/80/70/64/719807064.db2.gz HGMUESMQENZXQV-UHFFFAOYSA-N 1 1 474.030 4.700 20 0 JJADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)COC(=O)Nc2cccnc2Cl)CC3)cs1 ZINC001164701526 719816337 /nfs/dbraw/zinc/81/63/37/719816337.db2.gz PNHFPAPZWWZBFT-UHFFFAOYSA-N 1 1 485.988 4.772 20 0 JJADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)COC(=O)Nc2cccnc2Cl)CC3)cs1 ZINC001164701526 719816338 /nfs/dbraw/zinc/81/63/38/719816338.db2.gz PNHFPAPZWWZBFT-UHFFFAOYSA-N 1 1 485.988 4.772 20 0 JJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCn4c(-c5ccc(C(N)=O)cc5)cnc43)CC2)nc1 ZINC001164695063 719830645 /nfs/dbraw/zinc/83/06/45/719830645.db2.gz ATFXVYLGJNMJOC-XMMPIXPASA-N 1 1 484.648 4.533 20 0 JJADMO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164694686 719891578 /nfs/dbraw/zinc/89/15/78/719891578.db2.gz CGUZLRSLZMNSEL-UHFFFAOYSA-N 1 1 464.969 4.761 20 0 JJADMO Clc1cccc(COc2cncc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)n2)c1 ZINC001164706270 719906951 /nfs/dbraw/zinc/90/69/51/719906951.db2.gz GPDLMZYRACWRBC-UHFFFAOYSA-N 1 1 471.026 4.642 20 0 JJADMO COc1cc2c(cc(Cl)nc2N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cc1F ZINC001164707719 719909869 /nfs/dbraw/zinc/90/98/69/719909869.db2.gz WFNZAMWMDKJZKK-UHFFFAOYSA-N 1 1 461.990 4.969 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccc(OC)cc3)nc3ccc(F)cc31)C2 ZINC001164809757 720094194 /nfs/dbraw/zinc/09/41/94/720094194.db2.gz JYKNMLMYRRDXDZ-KMRXNPHXSA-N 1 1 476.596 4.629 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)ncc1Cl)CC2 ZINC001164710325 720097416 /nfs/dbraw/zinc/09/74/16/720097416.db2.gz IQVYMLFRERSLSD-KRWDZBQOSA-N 1 1 471.379 4.836 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)ncc1Cl)CC2 ZINC001164710327 720098625 /nfs/dbraw/zinc/09/86/25/720098625.db2.gz IQVYMLFRERSLSD-QGZVFWFLSA-N 1 1 471.379 4.836 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccnc(Cl)c1Cl)CC2 ZINC001164710704 720099288 /nfs/dbraw/zinc/09/92/88/720099288.db2.gz LFYFBPFDUFTVOD-KRWDZBQOSA-N 1 1 471.379 4.836 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)C2 ZINC001164806712 720100200 /nfs/dbraw/zinc/10/02/00/720100200.db2.gz DAZPDCKURDNZPT-IERDGZPVSA-N 1 1 471.379 4.666 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc3c(Cl)ncnc3c1)CC2 ZINC001164710249 720102108 /nfs/dbraw/zinc/10/21/08/720102108.db2.gz HUXFZYXPOFUCAF-HXUWFJFHSA-N 1 1 487.982 4.731 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc3ncc(Cl)nc3c1)CC2 ZINC001164712639 720104289 /nfs/dbraw/zinc/10/42/89/720104289.db2.gz XKTOWSYQDMDWOM-HXUWFJFHSA-N 1 1 487.982 4.731 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(-c3ccnc(Cl)c3)ccn1)CC2 ZINC001164712027 720105842 /nfs/dbraw/zinc/10/58/42/720105842.db2.gz UHWFHQCHYIDSSA-HSZRJFAPSA-N 1 1 464.013 4.700 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc3ccc(F)cc31)CC2 ZINC001164714098 720108034 /nfs/dbraw/zinc/10/80/34/720108034.db2.gz AAVNKXYEVWDBDJ-OAQYLSRUSA-N 1 1 454.977 4.930 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3ccc(Cl)cc3nc1Cl)CC2 ZINC001164719680 720111003 /nfs/dbraw/zinc/11/10/03/720111003.db2.gz ZYJKARZMYFKIQK-IBGZPJMESA-N 1 1 472.420 4.839 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3sc4c(c31)CC[C@@H](C)C4)CC2 ZINC001164719008 720117019 /nfs/dbraw/zinc/11/70/19/720117019.db2.gz URGBGCVTTLQSOT-TZIWHRDSSA-N 1 1 477.678 4.719 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164816142 720123714 /nfs/dbraw/zinc/12/37/14/720123714.db2.gz XSOALVWGGURBCS-IERDGZPVSA-N 1 1 471.379 4.666 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(SC)c(Cl)n1)CC2 ZINC001164717370 720124062 /nfs/dbraw/zinc/12/40/62/720124062.db2.gz NVSHAHLDGBCWHU-GOSISDBHSA-N 1 1 483.028 4.904 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)C2 ZINC001164812539 720124449 /nfs/dbraw/zinc/12/44/49/720124449.db2.gz PHLIMYYUGJLJMN-VFNWGFHPSA-N 1 1 471.379 4.666 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccc3F)nc3ccc(C)cc31)C2 ZINC001164806979 720131384 /nfs/dbraw/zinc/13/13/84/720131384.db2.gz ADBFZMCALFBGAM-KMRXNPHXSA-N 1 1 460.597 4.929 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(Cc3ccccc3)n1)CC2 ZINC001164713574 720131891 /nfs/dbraw/zinc/13/18/91/720131891.db2.gz SDNYYMMWQMBXKW-XMMPIXPASA-N 1 1 478.040 4.623 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc3cc(OCc4ccccc4)ccc3n1)C2 ZINC001164810493 720131923 /nfs/dbraw/zinc/13/19/23/720131923.db2.gz JXOMPBQKIMIDSJ-SVEHJYQDSA-N 1 1 457.618 4.999 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Oc3ccc(SC)cc3)ncn1)CC2 ZINC001164714782 720133821 /nfs/dbraw/zinc/13/38/21/720133821.db2.gz ZAQKHDMRBRAFPB-JOCHJYFZSA-N 1 1 491.661 4.893 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)CC2 ZINC001164710519 720135581 /nfs/dbraw/zinc/13/55/81/720135581.db2.gz CBLZRWIAKRWXJR-IBGZPJMESA-N 1 1 475.971 4.664 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(SC)cnc1Cl)CC2 ZINC001164712526 720137169 /nfs/dbraw/zinc/13/71/69/720137169.db2.gz NDYOISPCCGQFIK-GOSISDBHSA-N 1 1 483.028 4.904 20 0 JJADMO CC[C@H](C)c1nc(Cl)c(C)c(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164713087 720152967 /nfs/dbraw/zinc/15/29/67/720152967.db2.gz QOFZNHVUEHLIAW-GHTZIAJQSA-N 1 1 458.050 4.854 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nnc(-c3ccc(F)c(F)c3)c3ccccc31)C2 ZINC001164816258 720167021 /nfs/dbraw/zinc/16/70/21/720167021.db2.gz KNCBNBNKCBZRLE-DCFHFQCYSA-N 1 1 464.560 4.760 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)C2 ZINC001164815634 720173006 /nfs/dbraw/zinc/17/30/06/720173006.db2.gz IQBSBPMVPMBWFW-WMZHIEFXSA-N 1 1 462.972 4.527 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)C2 ZINC001164817749 720173014 /nfs/dbraw/zinc/17/30/14/720173014.db2.gz QEAIQFYCTADJFH-IIBYNOLFSA-N 1 1 469.001 4.588 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)C2 ZINC001164815629 720173101 /nfs/dbraw/zinc/17/31/01/720173101.db2.gz IQBSBPMVPMBWFW-AUSIDOKSSA-N 1 1 462.972 4.527 20 0 JJADMO COCc1nc2scc(-c3ccccc3)c2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)n1 ZINC001164812428 720183319 /nfs/dbraw/zinc/18/33/19/720183319.db2.gz ANYPVHXUQYAJHE-ZBLYBZFDSA-N 1 1 478.662 4.689 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(CN(C)C)nc3scc(-c4ccccc4)c31)C2 ZINC001164816891 720186748 /nfs/dbraw/zinc/18/67/48/720186748.db2.gz NOSFGRDYSLWKBA-DWACAAAGSA-N 1 1 491.705 4.605 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(CN(C)C)nc3scc(-c4ccccc4)c31)C2 ZINC001164816889 720187781 /nfs/dbraw/zinc/18/77/81/720187781.db2.gz NOSFGRDYSLWKBA-DFHRPNOPSA-N 1 1 491.705 4.605 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3cccc(OC)c3)nnc1Cl)C2 ZINC001164815436 720203743 /nfs/dbraw/zinc/20/37/43/720203743.db2.gz ZGBUOYOLLFAZMG-CYFREDJKSA-N 1 1 492.998 4.535 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)C2 ZINC001164815186 720203906 /nfs/dbraw/zinc/20/39/06/720203906.db2.gz WUWBSXSAJIBRHQ-WZONZLPQSA-N 1 1 480.962 4.666 20 0 JJADMO Cc1ccc2nc(-c3ccccc3F)nc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c2c1 ZINC001164814715 720226895 /nfs/dbraw/zinc/22/68/95/720226895.db2.gz WLDDSCMQRQSFEO-UHFFFAOYSA-N 1 1 486.595 4.552 20 0 JJADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC[C@]5(CCN(CC6CC6)C5=O)C4)c23)C1 ZINC001164820285 720280891 /nfs/dbraw/zinc/28/08/91/720280891.db2.gz VKPGPFOFJZZYBF-GDJIYFAZSA-N 1 1 493.721 4.641 20 0 JJADMO Cc1nc2c(cc(-c3nc(N4CC[C@@H]5[C@@H]4CC[N@H+]5Cc4cccnc4)ncc3F)cc2F)n1C(C)C ZINC001164730997 720385540 /nfs/dbraw/zinc/38/55/40/720385540.db2.gz XSHDXGOUZCBFCT-PKTZIBPZSA-N 1 1 489.574 4.909 20 0 JJADMO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CC[C@H](C)C5)O2)n1 ZINC001164830978 720408345 /nfs/dbraw/zinc/40/83/45/720408345.db2.gz SVHFSYIPWLVDBU-OBZTUIKSSA-N 1 1 494.665 4.602 20 0 JJADMO Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3c3nc(C[NH+]4CCC(C)CC4)nc4sc5c(c43)CCC5)O2)n1 ZINC001164826135 720408739 /nfs/dbraw/zinc/40/87/39/720408739.db2.gz BTXKVKBHYGWPOO-ZCNNSNEGSA-N 1 1 494.665 4.602 20 0 JJADMO Cc1sc2nc(CN3CCCCC3)nc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164732423 720439381 /nfs/dbraw/zinc/43/93/81/720439381.db2.gz NHMOEJSFVWQWNN-FCHUYYIVSA-N 1 1 462.667 4.542 20 0 JJADMO COC(=O)c1sc2nc(Cc3ccccc3)nc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164730959 720440330 /nfs/dbraw/zinc/44/03/30/720440330.db2.gz KLGSXVRMXCUUMW-FCHUYYIVSA-N 1 1 499.640 4.625 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@]3(C[C@H](CNc4cccc(F)c4)CO3)C2)nc1 ZINC001164725777 720497044 /nfs/dbraw/zinc/49/70/44/720497044.db2.gz KDZVELVOFGFTBO-QIDLSXJSSA-N 1 1 482.644 4.882 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(C(=O)Nc4ccc(Cl)nc4)ccc3F)CC[C@@H]21 ZINC001164834226 720545284 /nfs/dbraw/zinc/54/52/84/720545284.db2.gz CWTZEDLOPMRACB-RRPUWOKSSA-N 1 1 497.018 4.701 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834201 720565140 /nfs/dbraw/zinc/56/51/40/720565140.db2.gz CQZZBNDRRSWOJO-PCCBWWKXSA-N 1 1 486.998 4.916 20 0 JJADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164844213 720599974 /nfs/dbraw/zinc/59/99/74/720599974.db2.gz ZZLQGJYNGZIILE-CNNODRBYSA-N 1 1 482.028 4.639 20 0 JJADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164844219 720599981 /nfs/dbraw/zinc/59/99/81/720599981.db2.gz ZZLQGJYNGZIILE-XQBPLPMBSA-N 1 1 482.028 4.639 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(F)ccc3Oc3ccc(Cl)nn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839748 720603319 /nfs/dbraw/zinc/60/33/19/720603319.db2.gz OGLNHXCWZOMVEA-YSIASYRMSA-N 1 1 470.980 4.636 20 0 JJADMO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164840262 720605108 /nfs/dbraw/zinc/60/51/08/720605108.db2.gz POQBGAIMDIIBHP-UODIDJSMSA-N 1 1 483.664 4.671 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839213 720605819 /nfs/dbraw/zinc/60/58/19/720605819.db2.gz MFIBBNQCZLSFJU-QNWVGRARSA-N 1 1 499.688 4.816 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc(-c4ccco4)nnc3Cl)CC[C@@H]21 ZINC001164835602 720608761 /nfs/dbraw/zinc/60/87/61/720608761.db2.gz BRZWGMIVJMRTLZ-ZWOKBUDYSA-N 1 1 476.959 4.509 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)CC[C@@H]21 ZINC001164839323 720609374 /nfs/dbraw/zinc/60/93/74/720609374.db2.gz NGHZYHZDLHQDOL-UWVAXJGDSA-N 1 1 493.027 4.978 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(-c4ccco4)nnc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835600 720610582 /nfs/dbraw/zinc/61/05/82/720610582.db2.gz BRZWGMIVJMRTLZ-FUHIMQAGSA-N 1 1 476.959 4.509 20 0 JJADMO Cc1nc(-c2ccccc2)nc(Cl)c1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164835301 720613605 /nfs/dbraw/zinc/61/36/05/720613605.db2.gz AYZBVAHCBLSHBL-YPAWHYETSA-N 1 1 451.018 4.680 20 0 JJADMO Cc1nc(-c2ccccc2)nc(Cl)c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164835299 720614611 /nfs/dbraw/zinc/61/46/11/720614611.db2.gz AYZBVAHCBLSHBL-FDFHNCONSA-N 1 1 451.018 4.680 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(Cl)nc(-c4ccc(F)cc4)n3)CC[C@@H]21 ZINC001164842194 720618303 /nfs/dbraw/zinc/61/83/03/720618303.db2.gz UJLLDCAPRFTSLK-GIVPXCGWSA-N 1 1 454.981 4.510 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843152 720633545 /nfs/dbraw/zinc/63/35/45/720633545.db2.gz WYQXNKORCIDRML-HLLBOEOZSA-N 1 1 477.909 4.873 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)CC[C@@H]21 ZINC001164843153 720633960 /nfs/dbraw/zinc/63/39/60/720633960.db2.gz WYQXNKORCIDRML-VYDXJSESSA-N 1 1 477.909 4.873 20 0 JJADMO Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164842762 720640632 /nfs/dbraw/zinc/64/06/32/720640632.db2.gz VMELROWVUSOTGC-RZUBCFFCSA-N 1 1 467.017 4.805 20 0 JJADMO Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164842753 720641171 /nfs/dbraw/zinc/64/11/71/720641171.db2.gz VMELROWVUSOTGC-JAXLGGSGSA-N 1 1 467.017 4.805 20 0 JJADMO COc1ccc2nc(Cl)nc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2c1 ZINC001164838178 720656995 /nfs/dbraw/zinc/65/69/95/720656995.db2.gz GBXYVLOQJVFWKP-LJQANCHMSA-N 1 1 452.986 4.552 20 0 JJADMO COc1ccc2nc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c(Cl)nc2c1 ZINC001164843646 720682406 /nfs/dbraw/zinc/68/24/06/720682406.db2.gz PTJIJZCQMAKUKD-LJQANCHMSA-N 1 1 452.986 4.552 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(Cl)nc(Cc3ccccc3)n1)CC2 ZINC001164845431 720682632 /nfs/dbraw/zinc/68/26/32/720682632.db2.gz ZQWWGELPGPOGHW-HSZRJFAPSA-N 1 1 463.025 4.981 20 0 JJADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164839919 720683026 /nfs/dbraw/zinc/68/30/26/720683026.db2.gz CWBFIRWUJFDQPM-NRFANRHFSA-N 1 1 492.645 4.642 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc3cc(F)c(F)cc3nc1Cl)CC2 ZINC001164844788 720683650 /nfs/dbraw/zinc/68/36/50/720683650.db2.gz UULOINLDRUMAKH-QGZVFWFLSA-N 1 1 458.940 4.821 20 0 JJADMO COc1cccc2c1nc(Cl)nc2N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164842652 720689715 /nfs/dbraw/zinc/68/97/15/720689715.db2.gz MBCUNERRRPSQTK-LJQANCHMSA-N 1 1 452.986 4.552 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)ccc1CN1CCCC1)CC2 ZINC001164841294 720696183 /nfs/dbraw/zinc/69/61/83/720696183.db2.gz IXWVRSJLEOMGIX-HSZRJFAPSA-N 1 1 455.046 4.591 20 0 JJADMO CCOC(=O)c1cc2c(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)[nH]c(C)c(C)c-2n1 ZINC001164842759 720698189 /nfs/dbraw/zinc/69/81/89/720698189.db2.gz NDGXEQRLAAKTKF-JOCHJYFZSA-N 1 1 476.621 4.616 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc3c(Cl)nccc31)CC2 ZINC001164842897 720710014 /nfs/dbraw/zinc/71/00/14/720710014.db2.gz ZXQAPKLUCPPWJP-QGZVFWFLSA-N 1 1 458.393 4.592 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(-c3ccccn3)nc3ccccc31)CC2 ZINC001164842834 720711123 /nfs/dbraw/zinc/71/11/23/720711123.db2.gz ZETRCUNZFFPJPG-HSZRJFAPSA-N 1 1 465.601 4.952 20 0 JJADMO Cc1cc(OCc2ccccc2)nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164841007 720723387 /nfs/dbraw/zinc/72/33/87/720723387.db2.gz UHXIVDJRNLGSQY-RUZDIDTESA-N 1 1 458.606 4.624 20 0 JJADMO Clc1nc(Cl)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1Cl ZINC001164739207 720820416 /nfs/dbraw/zinc/82/04/16/720820416.db2.gz HSGBENPVIYIOPZ-HZSPNIEDSA-N 1 1 476.239 4.666 20 0 JJADMO c1ncn(C[C@H]2C[C@@H]3CN(c4cnc(-c5ccccc5)c(-c5ccccc5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164737705 720826602 /nfs/dbraw/zinc/82/66/02/720826602.db2.gz CDRAZVYFMXSGIM-ZONZVBGPSA-N 1 1 491.643 4.782 20 0 JJADMO Cc1ccc2nc(-c3ccccc3F)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164742456 720834751 /nfs/dbraw/zinc/83/47/51/720834751.db2.gz GNJUHEUZKAERAA-UMTXDNHDSA-N 1 1 497.622 4.715 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c3ccccc32)cc1 ZINC001164750279 720845841 /nfs/dbraw/zinc/84/58/41/720845841.db2.gz WYSCEFBHGBUKPJ-NLJOTIRTSA-N 1 1 479.632 4.576 20 0 JJADMO Cc1nc2scc(-c3cccs3)c2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164744608 720847705 /nfs/dbraw/zinc/84/77/05/720847705.db2.gz KVBNGQOKNQTWGT-SFHLNBCPSA-N 1 1 491.690 4.699 20 0 JJADMO CSc1nc2sccc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754840 720874077 /nfs/dbraw/zinc/87/40/77/720874077.db2.gz TXHHRKBHZXESMF-NBGIEHNGSA-N 1 1 481.691 4.563 20 0 JJADMO c1ccc(-c2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2)cc1 ZINC001164748414 720880850 /nfs/dbraw/zinc/88/08/50/720880850.db2.gz DRCONFLDLLWKDM-LMSSTIIKSA-N 1 1 454.618 4.899 20 0 JJADMO Fc1cccc2nc(Cl)nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164758823 720883700 /nfs/dbraw/zinc/88/37/00/720883700.db2.gz ZRHMTUJLRJBWNF-FNZWTVRRSA-N 1 1 482.003 4.572 20 0 JJADMO Fc1cc(C(F)(F)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cnc1Cl ZINC001164756823 720886971 /nfs/dbraw/zinc/88/69/71/720886971.db2.gz RFGNJTZADZSSRI-NFBKMPQASA-N 1 1 480.962 4.569 20 0 JJADMO Clc1nc2c(c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)CCCCC2 ZINC001164752511 720887579 /nfs/dbraw/zinc/88/75/79/720887579.db2.gz DVYLKYPPRROLML-AMGIVPHBSA-N 1 1 482.072 4.549 20 0 JJADMO Cc1sc2nc(C)nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1C ZINC001164750591 720888307 /nfs/dbraw/zinc/88/83/07/720888307.db2.gz BKIDDVRHBKPYBB-HOFKKMOUSA-N 1 1 477.678 4.767 20 0 JJADMO Clc1ncc(-c2ccccc2)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755365 720891240 /nfs/dbraw/zinc/89/12/40/720891240.db2.gz LLCVUVQUEGCZDJ-UFHPHHKVSA-N 1 1 490.051 4.947 20 0 JJADMO Cc1ccc2c(c1)nc(Cl)nc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754479 720891271 /nfs/dbraw/zinc/89/12/71/720891271.db2.gz JAPSTBIKVZTPTN-AMGIVPHBSA-N 1 1 478.040 4.742 20 0 JJADMO CSc1nc2ccccc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755421 720894056 /nfs/dbraw/zinc/89/40/56/720894056.db2.gz MADBKXIFEYAJRS-CUNXSJBXSA-N 1 1 475.662 4.502 20 0 JJADMO Fc1cccc(Oc2cncc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)c1 ZINC001164756959 720898966 /nfs/dbraw/zinc/89/89/66/720898966.db2.gz SPJKESGYUFOUDB-NEKDWFFYSA-N 1 1 489.595 4.558 20 0 JJADMO Fc1cccc(Oc2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)c1 ZINC001164754010 720901665 /nfs/dbraw/zinc/90/16/65/720901665.db2.gz IDEITSKRSWUCHZ-QDPGVEIFSA-N 1 1 489.595 4.558 20 0 JJADMO CSc1cc(Cl)cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754237 720905344 /nfs/dbraw/zinc/90/53/44/720905344.db2.gz VBCSCGVSQSSGGY-HYBUGGRVSA-N 1 1 459.059 4.607 20 0 JJADMO Cc1cccc(-c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)c1 ZINC001164750828 720912860 /nfs/dbraw/zinc/91/28/60/720912860.db2.gz KRGKFKSEEIFLBS-GGXMVOPNSA-N 1 1 469.633 4.602 20 0 JJADMO c1ccc2c(c1)cc(N1CCCC1)nc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164748527 720915691 /nfs/dbraw/zinc/91/56/91/720915691.db2.gz GRJPDGUQLOEWSS-JTSJOTPCSA-N 1 1 497.687 4.985 20 0 JJADMO c1ccc2c(c1)cc(N1CCCC1)nc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164748527 720915699 /nfs/dbraw/zinc/91/56/99/720915699.db2.gz GRJPDGUQLOEWSS-JTSJOTPCSA-N 1 1 497.687 4.985 20 0 JJADMO Cc1ccc(C)c(-c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)c1 ZINC001164749134 720917242 /nfs/dbraw/zinc/91/72/42/720917242.db2.gz HWVLUGKFZHARLR-YZNIXAGQSA-N 1 1 483.660 4.911 20 0 JJADMO Clc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(-c2ccccc2)n1 ZINC001164748085 720920215 /nfs/dbraw/zinc/92/02/15/720920215.db2.gz FUUCLUPMTJEEDV-CUBQBAPOSA-N 1 1 490.051 4.947 20 0 JJADMO Fc1cccc(F)c1-c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164753764 720921841 /nfs/dbraw/zinc/92/18/41/720921841.db2.gz SMMNCTFIPBUMJA-RBISFHTESA-N 1 1 491.586 4.572 20 0 JJADMO CCc1ccc(-c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)cc1 ZINC001164747875 720921908 /nfs/dbraw/zinc/92/19/08/720921908.db2.gz DPHSJAISICEFML-OFSOJUDTSA-N 1 1 483.660 4.856 20 0 JJADMO CCN(c1ccccc1)c1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164749096 720924871 /nfs/dbraw/zinc/92/48/71/720924871.db2.gz HSGAXAWGICVWQU-PDDLMNHVSA-N 1 1 498.675 4.785 20 0 JJADMO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752905 720930701 /nfs/dbraw/zinc/93/07/01/720930701.db2.gz PIGPRRHVHWCZTK-YIXXDRMTSA-N 1 1 484.088 4.787 20 0 JJADMO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752903 720931486 /nfs/dbraw/zinc/93/14/86/720931486.db2.gz PIGPRRHVHWCZTK-WNCULLNHSA-N 1 1 484.088 4.787 20 0 JJADMO Cc1cc(-c2ccccc2F)nnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755171 720932923 /nfs/dbraw/zinc/93/29/23/720932923.db2.gz ZHOBSEUNZAJXPT-OUTSHDOLSA-N 1 1 487.623 4.741 20 0 JJADMO Cc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1-c1ccccc1F ZINC001164746533 720935241 /nfs/dbraw/zinc/93/52/41/720935241.db2.gz BKKKLGNNJMIMLN-OUTSHDOLSA-N 1 1 487.623 4.741 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)[C@@H]2C ZINC001164859210 720944385 /nfs/dbraw/zinc/94/43/85/720944385.db2.gz LFHFOOOPTMTHLB-MRXNPFEDSA-N 1 1 460.960 4.960 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(-c3cccnc3)nc3sc4c(c31)CCC4)[C@@H]2C ZINC001164859753 721003340 /nfs/dbraw/zinc/00/33/40/721003340.db2.gz MIEMWICNRICNSY-QGZVFWFLSA-N 1 1 473.650 4.860 20 0 JJADMO Cc1sc2nc(CN3CCCC3)nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c2c1C ZINC001164862712 721004027 /nfs/dbraw/zinc/00/40/27/721004027.db2.gz UBBLJENOXBJADP-SFHVURJKSA-N 1 1 467.687 4.522 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccc(Cl)s3)nc3c1CCC3)[C@@H]2C ZINC001164856755 721012429 /nfs/dbraw/zinc/01/24/29/721012429.db2.gz BRXAHSOAQFYMFE-OAHLLOKOSA-N 1 1 457.047 4.965 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)[C@@H]2C ZINC001164864766 721013110 /nfs/dbraw/zinc/01/31/10/721013110.db2.gz ZIZBOJRFOPFQLX-MRXNPFEDSA-N 1 1 460.960 4.960 20 0 JJADMO Cc1nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164861511 721016471 /nfs/dbraw/zinc/01/64/71/721016471.db2.gz OVDMEWAHJTVVHE-IBGZPJMESA-N 1 1 453.034 4.956 20 0 JJADMO COc1cccc(Oc2nc(Cl)ncc2N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c1 ZINC001164858105 721020763 /nfs/dbraw/zinc/02/07/63/721020763.db2.gz GHQZIVLKXBKGCQ-INIZCTEOSA-N 1 1 456.978 4.549 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)n1 ZINC001164767601 721031386 /nfs/dbraw/zinc/03/13/86/721031386.db2.gz SALSSULXVKXNHX-WXVAWEFUSA-N 1 1 495.693 4.890 20 0 JJADMO FC(F)(c1nc2cc(Cl)c(Cl)cc2nc1Cl)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164861330 721032744 /nfs/dbraw/zinc/03/27/44/721032744.db2.gz GSRBAZPNXSHRKW-UHFFFAOYSA-N 1 1 498.752 4.639 20 0 JJADMO Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)n1 ZINC001164773699 721055958 /nfs/dbraw/zinc/05/59/58/721055958.db2.gz SWAMVRUMEYXYHU-PKTZIBPZSA-N 1 1 498.656 4.503 20 0 JJADMO FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866828 721066544 /nfs/dbraw/zinc/06/65/44/721066544.db2.gz FZWTXJYIIGOZDG-PKTZIBPZSA-N 1 1 470.951 4.822 20 0 JJADMO Fc1ccccc1-c1nc2ccc(Cl)cc2c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867380 721068369 /nfs/dbraw/zinc/06/83/69/721068369.db2.gz IQYCDBUJCZCRPZ-RTWAWAEBSA-N 1 1 489.982 4.964 20 0 JJADMO Fc1ccccc1-c1nc2ccc(Cl)cc2c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867382 721068649 /nfs/dbraw/zinc/06/86/49/721068649.db2.gz IQYCDBUJCZCRPZ-SFTDATJTSA-N 1 1 489.982 4.964 20 0 JJADMO Cc1ccc(-c2csc3ncnc(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)c23)cc1 ZINC001164867688 721076999 /nfs/dbraw/zinc/07/69/99/721076999.db2.gz ZOGVEIPVXPDEIL-FGZHOGPDSA-N 1 1 457.603 4.541 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(-c5ccc(F)cc5)nc5ccc(Cl)cc54)C[C@H]3C2)cn1 ZINC001164772192 721101602 /nfs/dbraw/zinc/10/16/02/721101602.db2.gz USJGUILZEMCVQF-VQTJNVASSA-N 1 1 476.987 4.781 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c3ccccc32)cc1C ZINC001164878900 721143201 /nfs/dbraw/zinc/14/32/01/721143201.db2.gz QTYGHDNZUXZVBZ-RPBOFIJWSA-N 1 1 465.601 4.788 20 0 JJADMO Cc1nc2scc(-c3cccs3)c2c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164874533 721144570 /nfs/dbraw/zinc/14/45/70/721144570.db2.gz KNLWMCRZMSGKCL-MOPGFXCFSA-N 1 1 463.632 4.603 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5ccc(F)cc5)nc5cc(Cl)ccc54)C[C@H]3C2)cn1 ZINC001164763385 721154685 /nfs/dbraw/zinc/15/46/85/721154685.db2.gz FJEJLZFHFIZNQR-WOJBJXKFSA-N 1 1 476.987 4.781 20 0 JJADMO Cc1cccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164870177 721192072 /nfs/dbraw/zinc/19/20/72/721192072.db2.gz UDOAMRKVFJQSLW-NHCUHLMSSA-N 1 1 485.966 4.525 20 0 JJADMO Cc1ccc(-c2nnc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c3ccccc32)cc1C ZINC001164766037 721196458 /nfs/dbraw/zinc/19/64/58/721196458.db2.gz IUVFLOQUEVWQFR-DNQXCXABSA-N 1 1 452.606 4.605 20 0 JJADMO Cc1ccc(-c2nnc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c3ccccc32)cc1C ZINC001164766041 721197772 /nfs/dbraw/zinc/19/77/72/721197772.db2.gz IUVFLOQUEVWQFR-RPWUZVMVSA-N 1 1 452.606 4.605 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(-c5ccc(-c6ccccc6)cc5)nn4)C[C@H]3C2)cn1 ZINC001164761323 721217045 /nfs/dbraw/zinc/21/70/45/721217045.db2.gz AMAYJGBDJOTCEO-CLJLJLNGSA-N 1 1 450.590 4.502 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5ccsc5)nc5sc6c(c54)CCCC6)C[C@H]3C2)cn1 ZINC001164765112 721219327 /nfs/dbraw/zinc/21/93/27/721219327.db2.gz HUHYXMAIBFBGPX-UYAOXDASSA-N 1 1 490.702 4.990 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(F)cc5)c4)C[C@H]3C2)cn1 ZINC001164770799 721225294 /nfs/dbraw/zinc/22/52/94/721225294.db2.gz OMBPSBFESVQETO-RBUKOAKNSA-N 1 1 475.946 4.778 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H](COC)N(C(=O)c4cccn4C)C3)CC2)nc1 ZINC001164869150 721225486 /nfs/dbraw/zinc/22/54/86/721225486.db2.gz CGETZPHOVWWIJS-JWQCQUIFSA-N 1 1 493.696 4.505 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(-c5ccc(C6CCCCC6)cc5)nn4)C[C@H]3C2)cn1 ZINC001164766856 721227103 /nfs/dbraw/zinc/22/71/03/721227103.db2.gz VPEPKSNDDSIHHL-IZZNHLLZSA-N 1 1 456.638 4.883 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccs5)c4)C[C@H]3C2)cn1 ZINC001164761463 721249133 /nfs/dbraw/zinc/24/91/33/721249133.db2.gz IMXIDCLBSAKNES-IAGOWNOFSA-N 1 1 463.985 4.700 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4O[C@@H](COc5cccnc5)CC[C@H]43)c2c1C ZINC001164875007 721251221 /nfs/dbraw/zinc/25/12/21/721251221.db2.gz LGVOSHWUWJVIMY-VSKRKVRLSA-N 1 1 479.650 4.504 20 0 JJADMO C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC5(CCC(=O)N5CC5CC5)CC4)c23)C1 ZINC001164776687 721306877 /nfs/dbraw/zinc/30/68/77/721306877.db2.gz ORUSXYUKVAEXQS-IBGZPJMESA-N 1 1 493.721 4.783 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC4(CC3)C(=O)NC[C@H]4c3ccccc3)c2c1C ZINC001164879380 721318525 /nfs/dbraw/zinc/31/85/25/721318525.db2.gz SJNXAKHIZGGAKT-QFIPXVFZSA-N 1 1 489.689 4.794 20 0 JJADMO O=C(CC1CCC2(CC1)CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2)N1CC=CC1 ZINC001164776068 721328026 /nfs/dbraw/zinc/32/80/26/721328026.db2.gz CKFXEWSIDGXOJL-UHFFFAOYSA-N 1 1 485.676 4.600 20 0 JJADMO O=C(CC1CCC2(CC1)CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2)N1CC=CC1 ZINC001164776068 721328029 /nfs/dbraw/zinc/32/80/29/721328029.db2.gz CKFXEWSIDGXOJL-UHFFFAOYSA-N 1 1 485.676 4.600 20 0 JJADMO Cc1cccc(N(c2ccc3c(n2)CCN(Cc2ccccc2)C3)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164777411 721329715 /nfs/dbraw/zinc/32/97/15/721329715.db2.gz MZTLFIAWPOVMNI-LITSAYRRSA-N 1 1 454.618 4.607 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)ncc3Cl)C2)C1 ZINC001164777406 721335305 /nfs/dbraw/zinc/33/53/05/721335305.db2.gz MZARKFMMIDTXRD-HXUWFJFHSA-N 1 1 475.367 4.657 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)ncc3Cl)C2)C1 ZINC001164777406 721335309 /nfs/dbraw/zinc/33/53/09/721335309.db2.gz MZARKFMMIDTXRD-HXUWFJFHSA-N 1 1 475.367 4.657 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4cc(C(C)(C)C)sc43)C2)C1 ZINC001164779499 721341916 /nfs/dbraw/zinc/34/19/16/721341916.db2.gz UHIFSTITNSIIME-VWLOTQADSA-N 1 1 469.655 4.713 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4cccc(Cl)c43)C2)C1 ZINC001164779081 721350301 /nfs/dbraw/zinc/35/03/01/721350301.db2.gz QIXWMBPZHTYWMS-QHCPKHFHSA-N 1 1 476.408 4.660 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc4ccccc4nc3Cl)C2)C1 ZINC001164786148 721357925 /nfs/dbraw/zinc/35/79/25/721357925.db2.gz WOYWEUCUDHBYRX-HSZRJFAPSA-N 1 1 491.970 4.552 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc4ccccc4nc3Cl)C2)C1 ZINC001164786148 721357934 /nfs/dbraw/zinc/35/79/34/721357934.db2.gz WOYWEUCUDHBYRX-HSZRJFAPSA-N 1 1 491.970 4.552 20 0 JJADMO CCCCOc1cnc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c(Cl)c1 ZINC001164780221 721362897 /nfs/dbraw/zinc/36/28/97/721362897.db2.gz DHWIAAKPVOFWLA-DEOSSOPVSA-N 1 1 463.022 4.638 20 0 JJADMO CCCCOc1cnc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c(Cl)c1 ZINC001164780221 721362901 /nfs/dbraw/zinc/36/29/01/721362901.db2.gz DHWIAAKPVOFWLA-DEOSSOPVSA-N 1 1 463.022 4.638 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc(-c4ccc(F)cc4)n3)C2)C1 ZINC001164787064 721368664 /nfs/dbraw/zinc/36/86/64/721368664.db2.gz XZQPSLSZZQFXFI-VWLOTQADSA-N 1 1 485.991 4.660 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc(-c4ccc(F)cc4)n3)C2)C1 ZINC001164787064 721368668 /nfs/dbraw/zinc/36/86/68/721368668.db2.gz XZQPSLSZZQFXFI-VWLOTQADSA-N 1 1 485.991 4.660 20 0 JJADMO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164786964 721372957 /nfs/dbraw/zinc/37/29/57/721372957.db2.gz VYBQKKWOKAUZIW-GYCJOSAFSA-N 1 1 462.038 4.676 20 0 JJADMO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164786964 721372960 /nfs/dbraw/zinc/37/29/60/721372960.db2.gz VYBQKKWOKAUZIW-GYCJOSAFSA-N 1 1 462.038 4.676 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3ccc(C)cc3)C2)C1 ZINC001164780405 721375138 /nfs/dbraw/zinc/37/51/38/721375138.db2.gz GXYCXIQTQFJAQR-SANMLTNESA-N 1 1 498.027 4.955 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3ccc(C)cc3)C2)C1 ZINC001164780405 721375140 /nfs/dbraw/zinc/37/51/40/721375140.db2.gz GXYCXIQTQFJAQR-SANMLTNESA-N 1 1 498.027 4.955 20 0 JJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@]3(CCC[C@H]3COCc3ccncc3)C2)nc1 ZINC001164783175 721386829 /nfs/dbraw/zinc/38/68/29/721386829.db2.gz NVEHIBIMWUZSPI-WEWMWRJBSA-N 1 1 450.627 4.616 20 0 JJADMO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164787602 721403830 /nfs/dbraw/zinc/40/38/30/721403830.db2.gz QAUMNTBLLMBUJF-VXGBXAGGSA-N 1 1 456.349 4.506 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc5nc(Cl)cc(Cl)c5c4)C3)O2)CC1 ZINC001164887683 721405099 /nfs/dbraw/zinc/40/50/99/721405099.db2.gz MEYSSLWXWJUMNR-JPYJTQIMSA-N 1 1 499.433 4.852 20 0 JJADMO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164781159 721412637 /nfs/dbraw/zinc/41/26/37/721412637.db2.gz CEYMGXGHFCOSRU-RYUDHWBXSA-N 1 1 456.349 4.506 20 0 JJADMO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164781160 721412849 /nfs/dbraw/zinc/41/28/49/721412849.db2.gz CEYMGXGHFCOSRU-TXEJJXNPSA-N 1 1 456.349 4.506 20 0 JJADMO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164781160 721412853 /nfs/dbraw/zinc/41/28/53/721412853.db2.gz CEYMGXGHFCOSRU-TXEJJXNPSA-N 1 1 456.349 4.506 20 0 JJADMO FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164783355 721431144 /nfs/dbraw/zinc/43/11/44/721431144.db2.gz IKNQVLQDJOLTFK-HDICACEKSA-N 1 1 476.980 4.884 20 0 JJADMO FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164783355 721431148 /nfs/dbraw/zinc/43/11/48/721431148.db2.gz IKNQVLQDJOLTFK-HDICACEKSA-N 1 1 476.980 4.884 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc5scc(-c6ccc(Cl)cc6)c54)C3)O2)CC1 ZINC001164890752 721433237 /nfs/dbraw/zinc/43/32/37/721433237.db2.gz FANFCXODMYHYEZ-HFZDXXHNSA-N 1 1 498.096 4.777 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c3ccccc32)cc1C ZINC001164890248 721434025 /nfs/dbraw/zinc/43/40/25/721434025.db2.gz CSMJMXNTEQUHPQ-FYBSXPHGSA-N 1 1 485.676 4.679 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(-c5ccc(-c6ccccc6)cc5)nn4)C3)O2)CC1 ZINC001164890728 721441365 /nfs/dbraw/zinc/44/13/65/721441365.db2.gz DPYQSYAUDKNMDC-BHBYDHKZSA-N 1 1 483.660 4.576 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3sc(C(C)C)cc31)CC2 ZINC001164788727 721448679 /nfs/dbraw/zinc/44/86/79/721448679.db2.gz TUNYEWGNAODHMG-HXUWFJFHSA-N 1 1 458.672 4.549 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)cnc1Cl)CC2 ZINC001164788593 721452065 /nfs/dbraw/zinc/45/20/65/721452065.db2.gz RQNJALQUXNEWDE-GOSISDBHSA-N 1 1 478.411 4.667 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3ccc(Cl)cc3nc1Cl)CC2 ZINC001164786899 721457328 /nfs/dbraw/zinc/45/73/28/721457328.db2.gz OPMCBBRFFKMXPS-IBGZPJMESA-N 1 1 479.452 4.671 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cc3c(Cl)ccnc31)CC2 ZINC001164782719 721458985 /nfs/dbraw/zinc/45/89/85/721458985.db2.gz BDBPKUIUTVKXTH-SFHVURJKSA-N 1 1 479.452 4.671 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)ncc1-c1ccccc1)CC2 ZINC001164785732 721460398 /nfs/dbraw/zinc/46/03/98/721460398.db2.gz NERJVFGOUDLDMN-QFIPXVFZSA-N 1 1 471.045 4.531 20 0 JJADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H](NC(=O)NC)c4cc(C)ccc43)CC2)nc1 ZINC001164900942 721493027 /nfs/dbraw/zinc/49/30/27/721493027.db2.gz SPWSRZSYPKUZSK-RPBOFIJWSA-N 1 1 461.654 4.849 20 0 JJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(-c3ccccn3)nc3ccccc31)CC2 ZINC001164795485 721500123 /nfs/dbraw/zinc/50/01/23/721500123.db2.gz IVCOXRDWVXZLBL-UHFFFAOYSA-N 1 1 450.590 4.968 20 0 JJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)COC(=O)Nc1ccc(Cl)nc1)CC2 ZINC001164796623 721504091 /nfs/dbraw/zinc/50/40/91/721504091.db2.gz UQRZMSRKUAWYMU-UHFFFAOYSA-N 1 1 479.959 4.648 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)[C@H]2CCCO[C@@H]12 ZINC001164801383 721538702 /nfs/dbraw/zinc/53/87/02/721538702.db2.gz FDESGBHAOIPXEO-XUVXKRRUSA-N 1 1 494.373 4.745 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)[C@H]2CCCO[C@@H]12 ZINC001164801383 721538703 /nfs/dbraw/zinc/53/87/03/721538703.db2.gz FDESGBHAOIPXEO-XUVXKRRUSA-N 1 1 494.373 4.745 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4cccs4)c32)[C@@H]2CCCO[C@@H]12 ZINC001164807172 721540988 /nfs/dbraw/zinc/54/09/88/721540988.db2.gz PWGDOIAASNJTGR-WOIUINJBSA-N 1 1 463.632 4.683 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4cccs4)c32)[C@@H]2CCCO[C@@H]12 ZINC001164807172 721540991 /nfs/dbraw/zinc/54/09/91/721540991.db2.gz PWGDOIAASNJTGR-WOIUINJBSA-N 1 1 463.632 4.683 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccc3F)nc3ccc(F)cc32)[C@H]2CCCO[C@H]12 ZINC001164805154 721541426 /nfs/dbraw/zinc/54/14/26/721541426.db2.gz KZMIOEDNYQNHMN-NXCFDTQHSA-N 1 1 487.554 4.838 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccc3F)nc3ccc(F)cc32)[C@H]2CCCO[C@H]12 ZINC001164805154 721541428 /nfs/dbraw/zinc/54/14/28/721541428.db2.gz KZMIOEDNYQNHMN-NXCFDTQHSA-N 1 1 487.554 4.838 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccc3)nc3ccccc32)[C@H]2CCCO[C@@H]12 ZINC001164809569 721546419 /nfs/dbraw/zinc/54/64/19/721546419.db2.gz VLHDCFCTQTWYRL-JIMJEQGWSA-N 1 1 451.574 4.560 20 0 JJADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4ccc(-c5ccc(C6OCCCO6)cc5)cn4)CC[N@H+]3C2)c1 ZINC001164911937 721547991 /nfs/dbraw/zinc/54/79/91/721547991.db2.gz XORSCQCUODHQEA-AZGAKELHSA-N 1 1 475.564 4.665 20 0 JJADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4cc(F)ccc4Oc4ccc(Cl)nn4)CC[N@H+]3C2)c1 ZINC001164906586 721553830 /nfs/dbraw/zinc/55/38/30/721553830.db2.gz KDFXYNJRRHPSJX-MJGOQNOKSA-N 1 1 458.896 4.542 20 0 JJADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164809385 721565832 /nfs/dbraw/zinc/56/58/32/721565832.db2.gz WVCZUNBXPIKQJJ-AXHZCLLHSA-N 1 1 473.404 4.813 20 0 JJADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164809385 721565833 /nfs/dbraw/zinc/56/58/33/721565833.db2.gz WVCZUNBXPIKQJJ-AXHZCLLHSA-N 1 1 473.404 4.813 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc3ccccc3nc2Cl)[C@H]2CCCO[C@H]12 ZINC001164805675 721566532 /nfs/dbraw/zinc/56/65/32/721566532.db2.gz OKQIAZAAMOXMGE-BDTNDASRSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc3ccccc3nc2Cl)[C@H]2CCCO[C@H]12 ZINC001164805675 721566536 /nfs/dbraw/zinc/56/65/36/721566536.db2.gz OKQIAZAAMOXMGE-BDTNDASRSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(OCc3ccccc3)cc2Cl)[C@H]2CCCO[C@H]12 ZINC001164801143 721571986 /nfs/dbraw/zinc/57/19/86/721571986.db2.gz GJQBIIOKPPQPMG-GVAUOCQISA-N 1 1 464.997 4.577 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccc(F)cc3)nc3ccccc32)[C@@H]2CCCO[C@H]12 ZINC001164810783 721577989 /nfs/dbraw/zinc/57/79/89/721577989.db2.gz WEIVLNVKZTZMKV-CYXNTTPDSA-N 1 1 469.564 4.699 20 0 JJADMO CSCc1nc2sc3c(c2c(N2C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]42)n1)CCCC3 ZINC001164810180 721578312 /nfs/dbraw/zinc/57/83/12/721578312.db2.gz UXVFAQBKOHMWMZ-NMMYMHLASA-N 1 1 495.718 4.696 20 0 JJADMO CSCc1nc2sc3c(c2c(N2C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]42)n1)CCCC3 ZINC001164810180 721578318 /nfs/dbraw/zinc/57/83/18/721578318.db2.gz UXVFAQBKOHMWMZ-NMMYMHLASA-N 1 1 495.718 4.696 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccsc3)nc3ccccc32)[C@@H]2CCCO[C@@H]12 ZINC001164799363 721579489 /nfs/dbraw/zinc/57/94/89/721579489.db2.gz AZDFUEPYWXJBGJ-WXFUMESZSA-N 1 1 457.603 4.622 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)[C@H]2CCCO[C@@H]12 ZINC001164805225 721580351 /nfs/dbraw/zinc/58/03/51/721580351.db2.gz LAVBXKMLYLPNIO-WMTXJRDZSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)[C@H]2CCCO[C@@H]12 ZINC001164805225 721580354 /nfs/dbraw/zinc/58/03/54/721580354.db2.gz LAVBXKMLYLPNIO-WMTXJRDZSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)nc2C(F)(F)F)[C@@H]2CCCO[C@@H]12 ZINC001164810956 721587604 /nfs/dbraw/zinc/58/76/04/721587604.db2.gz WTIYVUMVUGWAMY-JFIYKMOQSA-N 1 1 476.877 4.562 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)nc2C(F)(F)F)[C@@H]2CCCO[C@@H]12 ZINC001164810956 721587605 /nfs/dbraw/zinc/58/76/05/721587605.db2.gz WTIYVUMVUGWAMY-JFIYKMOQSA-N 1 1 476.877 4.562 20 0 JJADMO Fc1cc2nc(Cl)c(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2cc1F ZINC001164907482 721698796 /nfs/dbraw/zinc/69/87/96/721698796.db2.gz UERXQCCKKPZUHS-OAQYLSRUSA-N 1 1 465.882 4.694 20 0 JJADMO CCOc1cc2ncnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2cc1OCC ZINC001164908134 721705776 /nfs/dbraw/zinc/70/57/76/721705776.db2.gz VWQXHTYAVYYGKS-VWLOTQADSA-N 1 1 483.563 4.560 20 0 JJADMO FC1(F)CCN(c2ncnc3c2ccn3Cc2ccccc2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908058 721709236 /nfs/dbraw/zinc/70/92/36/721709236.db2.gz UXQMTMKTVCGFLX-AREMUKBSSA-N 1 1 474.559 4.612 20 0 JJADMO FC1(F)CCN(c2ncnc3c2ccn3Cc2ccccc2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908061 721709906 /nfs/dbraw/zinc/70/99/06/721709906.db2.gz UXQMTMKTVCGFLX-SANMLTNESA-N 1 1 474.559 4.612 20 0 JJADMO FC(F)(c1nc2ccccc2nc1Cl)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908779 721713284 /nfs/dbraw/zinc/71/32/84/721713284.db2.gz ZCGLNZSKGNJZQF-NRFANRHFSA-N 1 1 479.909 4.961 20 0 JJADMO FC1(F)CCN(c2cccc(OCc3ccccc3)n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907284 721717581 /nfs/dbraw/zinc/71/75/81/721717581.db2.gz QKWOMYXQSVBGRW-RUZDIDTESA-N 1 1 450.533 4.793 20 0 JJADMO COC(=O)c1ccc(-c2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2C)cc1 ZINC001164904238 721722173 /nfs/dbraw/zinc/72/21/73/721722173.db2.gz AUWXUEUYWZMUQX-HHHXNRCGSA-N 1 1 492.570 4.976 20 0 JJADMO CCc1nc2sc3c(c2c(N2CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C2)n1)CCC3 ZINC001164907761 721722972 /nfs/dbraw/zinc/72/29/72/721722972.db2.gz TZSCZLNJFVRIPO-XMMPIXPASA-N 1 1 469.605 4.875 20 0 JJADMO FC1(F)CCN(c2ncccc2OCc2ccccc2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906972 721723475 /nfs/dbraw/zinc/72/34/75/721723475.db2.gz PDGFGXWCTZHUGC-RUZDIDTESA-N 1 1 450.533 4.793 20 0 JJADMO FC(F)(c1cccc2c(Cl)ncnc21)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164910624 721726702 /nfs/dbraw/zinc/72/67/02/721726702.db2.gz GZWOLFFFQHSMIA-OAQYLSRUSA-N 1 1 479.909 4.961 20 0 JJADMO CC(C)C(=O)N1CCC[C@]12CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001165009875 721726724 /nfs/dbraw/zinc/72/67/24/721726724.db2.gz ZWVPLEJGXMUUOS-HHHXNRCGSA-N 1 1 481.710 4.783 20 0 JJADMO FC1(F)CCN(c2cc(-c3cccc(Cl)c3)ncn2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164911836 721726905 /nfs/dbraw/zinc/72/69/05/721726905.db2.gz KWDARJNECRUKEV-QHCPKHFHSA-N 1 1 455.940 4.930 20 0 JJADMO FC1(F)CCN(c2cc(SCc3ccccc3)ncn2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164912689 721732075 /nfs/dbraw/zinc/73/20/75/721732075.db2.gz PLRIYWPNGVAWKB-DEOSSOPVSA-N 1 1 467.589 4.902 20 0 JJADMO FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164913098 721735360 /nfs/dbraw/zinc/73/53/60/721735360.db2.gz SNNOIWZXHHHVID-SFHVURJKSA-N 1 1 479.305 4.946 20 0 JJADMO FC(F)(c1cc(Cl)nc2c1CCC2)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164910602 721737999 /nfs/dbraw/zinc/73/79/99/721737999.db2.gz GTKCYYNZDIKEFR-OAQYLSRUSA-N 1 1 468.926 4.901 20 0 JJADMO FC(F)(c1cc(Cl)nc2c1CCC2)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164910600 721738857 /nfs/dbraw/zinc/73/88/57/721738857.db2.gz GTKCYYNZDIKEFR-NRFANRHFSA-N 1 1 468.926 4.901 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1nc(Cl)ncc1Cl)C2 ZINC001164908428 721749624 /nfs/dbraw/zinc/74/96/24/721749624.db2.gz IWKNBDFECFBROH-UHFFFAOYSA-N 1 1 454.308 4.511 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1nc(Cl)ncc1Cl)C2 ZINC001164908428 721749627 /nfs/dbraw/zinc/74/96/27/721749627.db2.gz IWKNBDFECFBROH-UHFFFAOYSA-N 1 1 454.308 4.511 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccnc1C1SCCCS1)C2 ZINC001164908402 721751033 /nfs/dbraw/zinc/75/10/33/721751033.db2.gz HXALLMLCOIHYIW-UHFFFAOYSA-N 1 1 453.637 4.528 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccnc1C1SCCCS1)C2 ZINC001164908402 721751037 /nfs/dbraw/zinc/75/10/37/721751037.db2.gz HXALLMLCOIHYIW-UHFFFAOYSA-N 1 1 453.637 4.528 20 0 JJADMO Cc1cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164911203 721765043 /nfs/dbraw/zinc/76/50/43/721765043.db2.gz NONDWGYYGXTWNK-UHFFFAOYSA-N 1 1 460.969 4.683 20 0 JJADMO Cc1cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164911203 721765046 /nfs/dbraw/zinc/76/50/46/721765046.db2.gz NONDWGYYGXTWNK-UHFFFAOYSA-N 1 1 460.969 4.683 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@]3(CCN(c4cnccn4)C3)C2)nc1 ZINC001164914721 721803332 /nfs/dbraw/zinc/80/33/32/721803332.db2.gz FALIAIAXUYYIEJ-ZJSXRUAMSA-N 1 1 456.585 4.551 20 0 JJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@@]3(CCN(c4cnccn4)C3)C2)nc1 ZINC001164914716 721803363 /nfs/dbraw/zinc/80/33/63/721803363.db2.gz FALIAIAXUYYIEJ-URXFXBBRSA-N 1 1 456.585 4.551 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccc4ncc(Cl)nc4c3)C[C@@H]21 ZINC001165018818 721805520 /nfs/dbraw/zinc/80/55/20/721805520.db2.gz CKBXYFVIUIHVAN-GTCCEBARSA-N 1 1 457.956 4.960 20 0 JJADMO CCOC(=O)c1cnc(Cl)c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1Cl ZINC001165019656 721806173 /nfs/dbraw/zinc/80/61/73/721806173.db2.gz DQKJHWTZLIKQEF-SNRMKQJTSA-N 1 1 463.409 4.697 20 0 JJADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165026857 721810814 /nfs/dbraw/zinc/81/08/14/721810814.db2.gz RTWJNIDWHMDGJN-UCNVEGJOSA-N 1 1 480.012 4.592 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)ncc3OCc3ccccc3)C[C@H]21 ZINC001165026803 721813646 /nfs/dbraw/zinc/81/36/46/721813646.db2.gz RFZAWXFWZDMAGZ-YMPZKCBVSA-N 1 1 464.013 4.841 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3ccn4Cc3ccccc3)C[C@@H]21 ZINC001165029379 721815002 /nfs/dbraw/zinc/81/50/02/721815002.db2.gz YUJJWTWWKWFPIW-UCGXPXSYSA-N 1 1 452.606 4.612 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)C[C@@H]21 ZINC001165030553 721820621 /nfs/dbraw/zinc/82/06/21/721820621.db2.gz ZTSWBXLACAFKEK-HYVNUMGLSA-N 1 1 456.368 4.546 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)C[C@@H]21 ZINC001165030551 721820937 /nfs/dbraw/zinc/82/09/37/721820937.db2.gz ZTSWBXLACAFKEK-BHYGNILZSA-N 1 1 456.368 4.546 20 0 JJADMO CCOC(=O)c1ccc2nc(Cl)nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001165025134 721822180 /nfs/dbraw/zinc/82/21/80/721822180.db2.gz LTYSAGWXNUFFNO-ZEYPLWLESA-N 1 1 480.012 4.592 20 0 JJADMO COC(=O)c1ccc(-c2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nc2C)cc1 ZINC001165030541 721822203 /nfs/dbraw/zinc/82/22/03/721822203.db2.gz ZRNMBAMAHNARFF-YGPDHOBYSA-N 1 1 470.617 4.976 20 0 JJADMO CCOC(=O)c1ccc2nc(Cl)nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001165025130 721822320 /nfs/dbraw/zinc/82/23/20/721822320.db2.gz LTYSAGWXNUFFNO-HARLFGEKSA-N 1 1 480.012 4.592 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccncc4)n3)C[C@H]21 ZINC001165030144 721822559 /nfs/dbraw/zinc/82/25/59/721822559.db2.gz YBECQEFYVHOVNL-HMXCVIKNSA-N 1 1 484.982 4.869 20 0 JJADMO Cc1ccc(-c2nc3c(ncnc3N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)o2)cc1 ZINC001165023182 721825006 /nfs/dbraw/zinc/82/50/06/721825006.db2.gz IGRTVSWSVYDKLS-MDNUFGMLSA-N 1 1 454.578 4.725 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cccc4c(Cl)ncnc43)C[C@@H]21 ZINC001165026732 721825626 /nfs/dbraw/zinc/82/56/26/721825626.db2.gz PWLWYZKOQDORAS-LKUPVBHCSA-N 1 1 457.956 4.960 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(-c4ccccn4)nc4sccc43)C[C@H]21 ZINC001165024131 721828820 /nfs/dbraw/zinc/82/88/20/721828820.db2.gz JTBPHZWNGLBXIM-JMUQELJHSA-N 1 1 456.619 4.885 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(-c4ccccn4)nc4sccc43)C[C@@H]21 ZINC001165024140 721828932 /nfs/dbraw/zinc/82/89/32/721828932.db2.gz JTBPHZWNGLBXIM-RZFNWQHOSA-N 1 1 456.619 4.885 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(C(=O)OC(C)(C)C)cc3Cl)C[C@@H]21 ZINC001165022254 721829576 /nfs/dbraw/zinc/82/95/76/721829576.db2.gz GVCCNCBUQPCALS-PIPMEXSNSA-N 1 1 457.018 4.822 20 0 JJADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2cc(Cl)nc(SC)n2)CC1 ZINC001165022512 721838762 /nfs/dbraw/zinc/83/87/62/721838762.db2.gz UOOICYIGGXXROB-UHFFFAOYSA-N 1 1 472.989 4.515 20 0 JJADMO COc1cc(Oc2ccnc(N3CC[C@H]4[C@H]3CC[N@@H+]4CCN(C)C)c2)ccc1OCc1ccccc1 ZINC001164925965 721874251 /nfs/dbraw/zinc/87/42/51/721874251.db2.gz PHVZCFDGWSSWRJ-IZZNHLLZSA-N 1 1 488.632 4.676 20 0 JJADMO COc1cc(Oc2ccnc(N3CC[C@H]4[C@H]3CC[N@H+]4CCN(C)C)c2)ccc1OCc1ccccc1 ZINC001164925965 721874253 /nfs/dbraw/zinc/87/42/53/721874253.db2.gz PHVZCFDGWSSWRJ-IZZNHLLZSA-N 1 1 488.632 4.676 20 0 JJADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001164933506 721879151 /nfs/dbraw/zinc/87/91/51/721879151.db2.gz MKMDVYMTMLRVHK-RPWUZVMVSA-N 1 1 490.721 4.559 20 0 JJADMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001164933506 721879153 /nfs/dbraw/zinc/87/91/53/721879153.db2.gz MKMDVYMTMLRVHK-RPWUZVMVSA-N 1 1 490.721 4.559 20 0 JJADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(CSc2ccccc2)nc2sc3c(c21)CCC3 ZINC001164934409 721879788 /nfs/dbraw/zinc/87/97/88/721879788.db2.gz RLNLGODVTXKLMM-LEWJYISDSA-N 1 1 479.719 4.687 20 0 JJADMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(CSc2ccccc2)nc2sc3c(c21)CCC3 ZINC001164934409 721879789 /nfs/dbraw/zinc/87/97/89/721879789.db2.gz RLNLGODVTXKLMM-LEWJYISDSA-N 1 1 479.719 4.687 20 0 JJADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nnc(-c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC001164934426 721884464 /nfs/dbraw/zinc/88/44/64/721884464.db2.gz RPEBISLUDVGJGW-FGZHOGPDSA-N 1 1 456.421 4.818 20 0 JJADMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nnc(-c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC001164934426 721884466 /nfs/dbraw/zinc/88/44/66/721884466.db2.gz RPEBISLUDVGJGW-FGZHOGPDSA-N 1 1 456.421 4.818 20 0 JJADMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(F)(F)c1ccccc1-c1nc(Cl)c2ccccc2n1 ZINC001164929273 721889821 /nfs/dbraw/zinc/88/98/21/721889821.db2.gz AZJHOZUYSDWYAU-VXKWHMMOSA-N 1 1 471.983 4.710 20 0 JJADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2C(F)(F)c1ccccc1-c1nc(Cl)c2ccccc2n1 ZINC001164929273 721889823 /nfs/dbraw/zinc/88/98/23/721889823.db2.gz AZJHOZUYSDWYAU-VXKWHMMOSA-N 1 1 471.983 4.710 20 0 JJADMO CN1C(=O)CC[C@H]2[C@@H]1CCN2c1nc(C[NH+]2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001164932839 721893309 /nfs/dbraw/zinc/89/33/09/721893309.db2.gz JAXVCKWEAYKKEH-SFTDATJTSA-N 1 1 461.635 4.544 20 0 JJADMO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001165045290 721939781 /nfs/dbraw/zinc/93/97/81/721939781.db2.gz XYTINSIVQVGPKJ-UHFFFAOYSA-N 1 1 461.303 4.751 20 0 JJADMO COc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164963993 722024666 /nfs/dbraw/zinc/02/46/66/722024666.db2.gz UXPVYERAORLROV-UHFFFAOYSA-N 1 1 465.985 4.818 20 0 JJADMO Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)C3)n1 ZINC001164964993 722026805 /nfs/dbraw/zinc/02/68/05/722026805.db2.gz YMMMMBMRYFOGJI-BVAGGSTKSA-N 1 1 471.045 4.627 20 0 JJADMO Cc1ccc(N2C[C@@]3(CCN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C3)CC2=O)s1 ZINC001164964963 722043909 /nfs/dbraw/zinc/04/39/09/722043909.db2.gz WMXKYLITCDHAFB-MHZLTWQESA-N 1 1 458.631 4.643 20 0 JJADMO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001164962205 722059259 /nfs/dbraw/zinc/05/92/59/722059259.db2.gz PSLZWOHQZWNDQP-UHFFFAOYSA-N 1 1 483.975 4.575 20 0 JJADMO Fc1ccc(-c2nc3ccccc3c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n2)cc1 ZINC001164962540 722059698 /nfs/dbraw/zinc/05/96/98/722059698.db2.gz UADMZTGTPSFTSA-UHFFFAOYSA-N 1 1 483.591 4.950 20 0 JJADMO c1cc(-c2nc3ccccc3c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n2)cs1 ZINC001164960678 722059888 /nfs/dbraw/zinc/05/98/88/722059888.db2.gz HALJGVWNNFQCDO-UHFFFAOYSA-N 1 1 471.630 4.872 20 0 JJADMO Cc1ccc(N(c2ccc3c(n2)CCN(Cc2ccccc2)C3)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001164968260 722078621 /nfs/dbraw/zinc/07/86/21/722078621.db2.gz YHWLVSFCJYXBJM-UHFFFAOYSA-N 1 1 476.628 4.896 20 0 JJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3CC(C(=O)NC4CCC4)C[C@H]3C2)n1 ZINC001164977640 722085753 /nfs/dbraw/zinc/08/57/53/722085753.db2.gz XKGWPACTGWVQMA-PMACEKPBSA-N 1 1 475.662 4.551 20 0 JJADMO Fc1ccc2nc(-c3ccccc3F)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164985814 722108032 /nfs/dbraw/zinc/10/80/32/722108032.db2.gz WYSXCJSIYBEZLO-RXFWQSSRSA-N 1 1 487.554 4.697 20 0 JJADMO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164982862 722108410 /nfs/dbraw/zinc/10/84/10/722108410.db2.gz PNKVMCYRRVTBTD-CUNXSJBXSA-N 1 1 499.590 4.567 20 0 JJADMO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973358 722110095 /nfs/dbraw/zinc/11/00/95/722110095.db2.gz HDGWZCVVLMOHAI-OXQOHEQNSA-N 1 1 494.373 4.604 20 0 JJADMO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973188 722123631 /nfs/dbraw/zinc/12/36/31/722123631.db2.gz GWCOSTLKSQNVOC-JXFKEZNVSA-N 1 1 494.373 4.604 20 0 JJADMO FC(F)(c1cc2ccccc2nc1Cl)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975190 722130920 /nfs/dbraw/zinc/13/09/20/722130920.db2.gz FKCAVJHFHPOTAZ-DENIHFKCSA-N 1 1 458.940 4.555 20 0 JJADMO FC(F)(c1cccc2c(Cl)nccc21)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984227 722133095 /nfs/dbraw/zinc/13/30/95/722133095.db2.gz WOSZHYHGVHAJTD-AVRDEDQJSA-N 1 1 458.940 4.555 20 0 JJADMO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973419 722137612 /nfs/dbraw/zinc/13/76/12/722137612.db2.gz CDQAKWSADZUXQM-RHSMWYFYSA-N 1 1 477.770 4.709 20 0 JJADMO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973425 722138013 /nfs/dbraw/zinc/13/80/13/722138013.db2.gz CDQAKWSADZUXQM-YOEHRIQHSA-N 1 1 477.770 4.709 20 0 JJADMO Fc1ccc(-c2nnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c3ccccc32)cc1 ZINC001164982791 722141741 /nfs/dbraw/zinc/14/17/41/722141741.db2.gz SRWHFFAWBRVICC-ATIYNZHBSA-N 1 1 469.564 4.558 20 0 JJADMO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976028 722148721 /nfs/dbraw/zinc/14/87/21/722148721.db2.gz GLEVAGWYHYPRJR-DENIHFKCSA-N 1 1 458.940 4.555 20 0 JJADMO Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c(Cl)nn2)c1 ZINC001164972461 722157982 /nfs/dbraw/zinc/15/79/82/722157982.db2.gz HXNYTNOBIHAFRX-QPPBQGQZSA-N 1 1 499.993 4.773 20 0 JJADMO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972119 722159153 /nfs/dbraw/zinc/15/91/53/722159153.db2.gz FRXVGZYVRVOGBR-PGRDOPGGSA-N 1 1 474.939 4.662 20 0 JJADMO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971572 722159159 /nfs/dbraw/zinc/15/91/59/722159159.db2.gz BSTRDMCODGEIMK-WMZHIEFXSA-N 1 1 476.999 4.671 20 0 JJADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3C[C@H]4[C@H](C3)c3ccccc3[C@H]4OCC3CC3)C2)cc1 ZINC001164980469 722170784 /nfs/dbraw/zinc/17/07/84/722170784.db2.gz YIYFPBZRWUPMLE-FULLSBAXSA-N 1 1 452.602 4.736 20 0 JJADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3C[C@H]4[C@H](C3)c3ccccc3[C@H]4OCC3CC3)C2)cc1 ZINC001164980469 722170787 /nfs/dbraw/zinc/17/07/87/722170787.db2.gz YIYFPBZRWUPMLE-FULLSBAXSA-N 1 1 452.602 4.736 20 0 JJADMO O=C(c1cc(Cl)nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1)N1CCCCC1 ZINC001164993852 722195799 /nfs/dbraw/zinc/19/57/99/722195799.db2.gz IFLNQEVRXIVCOM-RUZDIDTESA-N 1 1 456.993 4.745 20 0 JJADMO COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995975 722205207 /nfs/dbraw/zinc/20/52/07/722205207.db2.gz QZFQXTIHYDYBJH-KUKSINHOSA-N 1 1 494.611 4.636 20 0 JJADMO O=C(c1cnc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c(Cl)c1)N1CCCCC1 ZINC001164995395 722208834 /nfs/dbraw/zinc/20/88/34/722208834.db2.gz NOHDVPYYNJTSDT-RUZDIDTESA-N 1 1 456.993 4.745 20 0 JJADMO O=C(c1cnc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(Cl)c1)N1CCCCC1 ZINC001164995395 722208837 /nfs/dbraw/zinc/20/88/37/722208837.db2.gz NOHDVPYYNJTSDT-RUZDIDTESA-N 1 1 456.993 4.745 20 0 JJADMO c1ccc(C[C@@H]2[C@@H](OCC3CC3)CCN2c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)cc1 ZINC001165006081 722271190 /nfs/dbraw/zinc/27/11/90/722271190.db2.gz LSIFAAHKNCPAKE-IZLXSDGUSA-N 1 1 454.618 4.652 20 0 JJADMO c1ccc(C[C@@H]2[C@@H](OCC3CC3)CCN2c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC001165006081 722271193 /nfs/dbraw/zinc/27/11/93/722271193.db2.gz LSIFAAHKNCPAKE-IZLXSDGUSA-N 1 1 454.618 4.652 20 0 JJADMO CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001359715142 1064263238 /nfs/dbraw/zinc/26/32/38/1064263238.db2.gz RATBUXKSOVJYIC-NQIIRXRSSA-N 1 1 491.080 4.803 20 0 JJADMO CC(C)c1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001359715524 1064263754 /nfs/dbraw/zinc/26/37/54/1064263754.db2.gz CUMUSNSNHPEMCI-HXUWFJFHSA-N 1 1 460.617 4.661 20 0 JJADMO CC(C)c1nnc(N2CCN(c3cc(Cl)cc(C(F)(F)F)c3)CC2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001359715782 1064264715 /nfs/dbraw/zinc/26/47/15/1064264715.db2.gz LHVOQEYTARDAGO-MRXNPFEDSA-N 1 1 484.998 4.883 20 0 JJADMO CC(C)c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001359715790 1064264815 /nfs/dbraw/zinc/26/48/15/1064264815.db2.gz LQWNANUFWDEMJX-QGZVFWFLSA-N 1 1 498.644 4.506 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C3(CCC3)C2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001545867433 1064276643 /nfs/dbraw/zinc/27/66/43/1064276643.db2.gz BPYGJFORNGLDGH-FCHUYYIVSA-N 1 1 472.722 4.581 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccco3)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545870220 1064282576 /nfs/dbraw/zinc/28/25/76/1064282576.db2.gz IXHYMZVWAOIYJJ-QHAWAJNXSA-N 1 1 484.689 4.540 20 0 JJADMO CC(C)[C@@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001359731287 1064283626 /nfs/dbraw/zinc/28/36/26/1064283626.db2.gz JWJGTGXGZUTTPQ-OAQYLSRUSA-N 1 1 460.066 4.506 20 0 JJADMO CC(C)[C@@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001359731287 1064283637 /nfs/dbraw/zinc/28/36/37/1064283637.db2.gz JWJGTGXGZUTTPQ-OAQYLSRUSA-N 1 1 460.066 4.506 20 0 JJADMO CC(C)[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC001359732022 1064285824 /nfs/dbraw/zinc/28/58/24/1064285824.db2.gz WMQNVLVEJUWHCS-JOCHJYFZSA-N 1 1 453.675 4.620 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3cccc(F)c3)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545870844 1064286493 /nfs/dbraw/zinc/28/64/93/1064286493.db2.gz YAAUGIXMRGZRQJ-FUPPJEDESA-N 1 1 498.691 4.698 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccccc3)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001545870897 1064286602 /nfs/dbraw/zinc/28/66/02/1064286602.db2.gz ZCXIPPJXZFVUMC-JOCHJYFZSA-N 1 1 480.701 4.701 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001545874383 1064290601 /nfs/dbraw/zinc/29/06/01/1064290601.db2.gz PQWNAUXHCWPFEX-GOSISDBHSA-N 1 1 486.627 4.630 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1C[C@H]1CC[C@H](F)C1 ZINC001545875817 1064292899 /nfs/dbraw/zinc/29/28/99/1064292899.db2.gz HLNDORMJMWKVRK-PMVMPFDFSA-N 1 1 490.712 4.816 20 0 JJADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1c[nH]c2cccc(Br)c21 ZINC001545880113 1064295250 /nfs/dbraw/zinc/29/52/50/1064295250.db2.gz QIBKCWOGAWSAEN-KRWDZBQOSA-N 1 1 456.384 4.763 20 0 JJADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(C(=O)Nc2ccccc2)c1 ZINC001545879734 1064295432 /nfs/dbraw/zinc/29/54/32/1064295432.db2.gz FBUNKHMGVBHFCC-VWLOTQADSA-N 1 1 457.574 4.771 20 0 JJADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(C(=O)Nc2ccccc2)c1 ZINC001545879733 1064295564 /nfs/dbraw/zinc/29/55/64/1064295564.db2.gz FBUNKHMGVBHFCC-RUZDIDTESA-N 1 1 457.574 4.771 20 0 JJADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC001545880034 1064295590 /nfs/dbraw/zinc/29/55/90/1064295590.db2.gz NNENBAINZCPKLM-OAQYLSRUSA-N 1 1 453.583 4.705 20 0 JJADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)CS[C@@H](C)c1nc2ccccc2[nH]1 ZINC001545880141 1064295806 /nfs/dbraw/zinc/29/58/06/1064295806.db2.gz RGYPCRYWPDMKMK-ICSRJNTNSA-N 1 1 452.624 4.576 20 0 JJADMO CC(C)[C@@H]1CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC[N@@H+](C)C(C)C ZINC001359737622 1064299704 /nfs/dbraw/zinc/29/97/04/1064299704.db2.gz BVWWERPXDNXPLJ-SFTDATJTSA-N 1 1 462.683 4.705 20 0 JJADMO Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001434880342 1064312369 /nfs/dbraw/zinc/31/23/69/1064312369.db2.gz CBBSMMPXFUXMRL-DENIHFKCSA-N 1 1 451.014 4.945 20 0 JJADMO CC(C)[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CC[N@@H+]2CC=CCC2)CCS1 ZINC001359748464 1064334803 /nfs/dbraw/zinc/33/48/03/1064334803.db2.gz WDJMMLXXHHGTIX-QGZVFWFLSA-N 1 1 482.517 4.609 20 0 JJADMO CC(C)[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CC[N@@H+]2CC=CCC2)CCS1 ZINC001359748463 1064334963 /nfs/dbraw/zinc/33/49/63/1064334963.db2.gz WDJMMLXXHHGTIX-KRWDZBQOSA-N 1 1 482.517 4.609 20 0 JJADMO CC(C)[C@@H]1CN(c2nnc(-c3cccnc3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)CCS1 ZINC001359749450 1064337159 /nfs/dbraw/zinc/33/71/59/1064337159.db2.gz RBBICGTUORKYMZ-URXFXBBRSA-N 1 1 464.683 4.829 20 0 JJADMO CC(C)[C@H]1CN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC[N@@H+](C)C(C)C)CCS1 ZINC001359750553 1064339517 /nfs/dbraw/zinc/33/95/17/1064339517.db2.gz OJSAGKUCPLACCR-JOCHJYFZSA-N 1 1 454.644 4.518 20 0 JJADMO Cc1ccc(NC(=O)[C@H](C)c2cccc(Br)c2)cc1NC(=O)C[NH+]1CCCCC1 ZINC001434914158 1064340465 /nfs/dbraw/zinc/34/04/65/1064340465.db2.gz AEYDOSAIIWXBGH-QGZVFWFLSA-N 1 1 458.400 4.924 20 0 JJADMO CC(C)[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCC[N@@H+](C)C2CCCCC2)CCO1 ZINC001359754930 1064345813 /nfs/dbraw/zinc/34/58/13/1064345813.db2.gz OTEYYUFVHKANDT-VWLOTQADSA-N 1 1 453.675 4.579 20 0 JJADMO CC(C)[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCC[N@H+](C(C)C)C2)CCS1 ZINC001359755778 1064351059 /nfs/dbraw/zinc/35/10/59/1064351059.db2.gz GKYFCXNVMBPQOT-WBADGQHESA-N 1 1 477.763 4.895 20 0 JJADMO CC(C)[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CCS1 ZINC001359755775 1064351130 /nfs/dbraw/zinc/35/11/30/1064351130.db2.gz GKYFCXNVMBPQOT-BXXSPATCSA-N 1 1 477.763 4.895 20 0 JJADMO CC(C)[C@@H]1OCCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001359763285 1064378822 /nfs/dbraw/zinc/37/88/22/1064378822.db2.gz IDRWZCOLZQBVGY-BDYUSTAISA-N 1 1 467.702 4.825 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 ZINC001434998423 1064413718 /nfs/dbraw/zinc/41/37/18/1064413718.db2.gz SUNBUOGMMPKMQR-AOYPEHQESA-N 1 1 479.690 4.537 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@H](C)c2cc3ccccc3o2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001359775118 1064416473 /nfs/dbraw/zinc/41/64/73/1064416473.db2.gz IVFUHBTWDSFRPJ-NHCUHLMSSA-N 1 1 453.631 4.921 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1CC(F)(F)Br ZINC001359777284 1064420384 /nfs/dbraw/zinc/42/03/84/1064420384.db2.gz FXMCQRSYZMYNSX-IEBWSBKVSA-N 1 1 484.433 4.954 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001359777405 1064421403 /nfs/dbraw/zinc/42/14/03/1064421403.db2.gz JGEUKUAQSLEVTP-VRUIKYSZSA-N 1 1 453.675 4.781 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1CCOc1ncccc1F ZINC001359777742 1064422165 /nfs/dbraw/zinc/42/21/65/1064422165.db2.gz QIOTXYGULKFDOB-FYYLOGMGSA-N 1 1 480.632 4.579 20 0 JJADMO CC(C)Cc1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CCc1ccccc1C(F)(F)F ZINC001359778956 1064424557 /nfs/dbraw/zinc/42/45/57/1064424557.db2.gz XYXWVANPZLNKRB-UHFFFAOYSA-N 1 1 481.607 4.533 20 0 JJADMO CC(C)Cc1nnc(N(C)CC2CCOCC2)n1CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001359784034 1064436047 /nfs/dbraw/zinc/43/60/47/1064436047.db2.gz PQWMUAKBVHKASG-DHLKQENFSA-N 1 1 453.675 4.640 20 0 JJADMO CC(C)Cc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001359796137 1064455497 /nfs/dbraw/zinc/45/54/97/1064455497.db2.gz VENIRYKPJBKXGK-LJQANCHMSA-N 1 1 481.563 4.645 20 0 JJADMO CC(C)Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001359798711 1064463285 /nfs/dbraw/zinc/46/32/85/1064463285.db2.gz NOTQVBXDFZCUFK-HNNXBMFYSA-N 1 1 469.518 4.918 20 0 JJADMO CC(C)c1c(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)cnn1-c1ccccn1 ZINC001435048237 1064465524 /nfs/dbraw/zinc/46/55/24/1064465524.db2.gz XCHGGDQCWMCOTQ-OAQYLSRUSA-N 1 1 452.002 4.829 20 0 JJADMO CC(C)c1c(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)cnn1-c1ccccn1 ZINC001435048237 1064465531 /nfs/dbraw/zinc/46/55/31/1064465531.db2.gz XCHGGDQCWMCOTQ-OAQYLSRUSA-N 1 1 452.002 4.829 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC001435049930 1064467173 /nfs/dbraw/zinc/46/71/73/1064467173.db2.gz WJEOBBNVWUZEBR-KZQOYIJHSA-N 1 1 469.629 4.901 20 0 JJADMO COc1ccc(-c2nsc(NC(=O)c3ccccc3OCC[N@H+]3CCCC[C@H]3C)n2)cc1 ZINC001435054295 1064473015 /nfs/dbraw/zinc/47/30/15/1064473015.db2.gz AUTBCGNYEMJANL-QGZVFWFLSA-N 1 1 452.580 4.719 20 0 JJADMO CC(C)Cc1nnc(N2CCC(c3nc4cc(Cl)ccc4o3)CC2)n1CC[N@@H+](C)C(C)C ZINC001359806003 1064476341 /nfs/dbraw/zinc/47/63/41/1064476341.db2.gz PSPUSGIAGOJERJ-UHFFFAOYSA-N 1 1 459.038 4.995 20 0 JJADMO CC(C)Cc1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1C[C@](C)(O)c1cccs1 ZINC001359808876 1064481631 /nfs/dbraw/zinc/48/16/31/1064481631.db2.gz YVCGHSDQTZRVNT-RLWLMLJZSA-N 1 1 473.731 4.927 20 0 JJADMO CC(C)Cc1nnc(N2CCC(NC(=O)Nc3ccccc3)CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001359814647 1064493036 /nfs/dbraw/zinc/49/30/36/1064493036.db2.gz MNNCEWLJLQAXOJ-JOCHJYFZSA-N 1 1 481.689 4.532 20 0 JJADMO CC(C)Cc1nnc(N2CCC(Oc3ccc(F)cc3F)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001359814845 1064493884 /nfs/dbraw/zinc/49/38/84/1064493884.db2.gz BZNKWRNCHDCYFE-HXUWFJFHSA-N 1 1 475.628 4.923 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@H](OCc3ccccc3)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001359817377 1064500007 /nfs/dbraw/zinc/50/00/07/1064500007.db2.gz CCPGWOBVPDAMGT-UPVQGACJSA-N 1 1 453.675 4.783 20 0 JJADMO CC(C)Cc1nnc(N2CCC(OCc3ccccc3F)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001359818138 1064501908 /nfs/dbraw/zinc/50/19/08/1064501908.db2.gz UCFLTWBLRKCOCC-NRFANRHFSA-N 1 1 457.638 4.533 20 0 JJADMO Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC001435092263 1064509431 /nfs/dbraw/zinc/50/94/31/1064509431.db2.gz ZXYCPFRKFOBOLD-QGZVFWFLSA-N 1 1 452.580 4.624 20 0 JJADMO C[C@@H](CNC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl)[N@H+]1CCc2ccccc2C1 ZINC001359828459 1064509990 /nfs/dbraw/zinc/50/99/90/1064509990.db2.gz HUNRVNXAQQFBHP-KRWDZBQOSA-N 1 1 458.002 4.793 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001359835406 1064522787 /nfs/dbraw/zinc/52/27/87/1064522787.db2.gz WIGYGLPWXDWBHW-GGAORHGYSA-N 1 1 480.632 4.579 20 0 JJADMO CCS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)c1 ZINC001435121655 1064528199 /nfs/dbraw/zinc/52/81/99/1064528199.db2.gz XWXUDQSALUYCHR-IZZNHLLZSA-N 1 1 462.615 4.643 20 0 JJADMO CC(C)Cc1nnc(N2CCCN(c3ccccc3)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001359841736 1064528828 /nfs/dbraw/zinc/52/88/28/1064528828.db2.gz ZKGHSDNVWABWEJ-XMMPIXPASA-N 1 1 452.691 4.705 20 0 JJADMO CC(C)Cc1nnc(N2CCCN(Cc3ccc(F)cc3)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001359841680 1064529192 /nfs/dbraw/zinc/52/91/92/1064529192.db2.gz YABDUCWVCSPXII-QDPGVEIFSA-N 1 1 484.708 4.839 20 0 JJADMO CC(C)Cc1nnc(N2CCN([C@@H](C)c3ccsc3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001359849299 1064535388 /nfs/dbraw/zinc/53/53/88/1064535388.db2.gz IANQGQQUQFWOHF-NRFANRHFSA-N 1 1 458.720 4.543 20 0 JJADMO CC(C)Cc1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1Cc1cccc(OCC(F)(F)F)c1 ZINC001359856100 1064543424 /nfs/dbraw/zinc/54/34/24/1064543424.db2.gz VYFHKFHHYLIICL-LJQANCHMSA-N 1 1 479.591 4.777 20 0 JJADMO CC(C)Cc1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C[C@H](C)Oc1ccc(Cl)cc1 ZINC001359861352 1064551157 /nfs/dbraw/zinc/55/11/57/1064551157.db2.gz SMARTMQBRLEKRQ-IBGZPJMESA-N 1 1 474.074 4.981 20 0 JJADMO CC(C)Cc1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001359861376 1064551786 /nfs/dbraw/zinc/55/17/86/1064551786.db2.gz TVFKVEVXLSNHAM-UHFFFAOYSA-N 1 1 493.599 4.850 20 0 JJADMO CC(C)Cc1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001359861576 1064551834 /nfs/dbraw/zinc/55/18/34/1064551834.db2.gz ZOEDTTLRLHITLK-GGAORHGYSA-N 1 1 466.699 4.552 20 0 JJADMO CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1Cc1nc(C(C)(C)C)cs1 ZINC001359861504 1064551995 /nfs/dbraw/zinc/55/19/95/1064551995.db2.gz XRXRUCHNACPHTN-HXUWFJFHSA-N 1 1 466.699 4.990 20 0 JJADMO CC(C)Cc1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001359864005 1064553400 /nfs/dbraw/zinc/55/34/00/1064553400.db2.gz CSLMANJWCZWQRN-CTNGQTDRSA-N 1 1 453.528 4.772 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001359864221 1064553911 /nfs/dbraw/zinc/55/39/11/1064553911.db2.gz IFDMZPDRDYGSOG-RRPUWOKSSA-N 1 1 459.704 4.873 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@](C)(c3ccccc3)C2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001359866396 1064557677 /nfs/dbraw/zinc/55/76/77/1064557677.db2.gz QLECMTSTLRHRSV-KCWPFWIISA-N 1 1 453.675 4.883 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(F)cc3)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359868144 1064560165 /nfs/dbraw/zinc/56/01/65/1064560165.db2.gz IARZVPZQAZTPRC-ZFGGDYGUSA-N 1 1 471.665 4.950 20 0 JJADMO CC(C)Cc1nnc(Nc2cnn([C@H]3CC3(F)F)c2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001359877128 1064567182 /nfs/dbraw/zinc/56/71/82/1064567182.db2.gz MTIBBVSVBJHNIH-MOPGFXCFSA-N 1 1 463.964 4.953 20 0 JJADMO CC(C)C[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001359879078 1064570616 /nfs/dbraw/zinc/57/06/16/1064570616.db2.gz OYKKQSJDLNPTJW-NLJOTIRTSA-N 1 1 475.722 4.559 20 0 JJADMO CC(C)CC[C@](C)(O)Cn1c(-c2ccccc2Br)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001359891674 1064592637 /nfs/dbraw/zinc/59/26/37/1064592637.db2.gz VYDMRSMGINVMBG-IECBHUPTSA-N 1 1 490.490 4.568 20 0 JJADMO CC(C)CC[C@](C)(O)Cn1c(-c2ccccc2Br)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001359891675 1064592745 /nfs/dbraw/zinc/59/27/45/1064592745.db2.gz VYDMRSMGINVMBG-IMWIBFENSA-N 1 1 490.490 4.568 20 0 JJADMO CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001359891878 1064593897 /nfs/dbraw/zinc/59/38/97/1064593897.db2.gz YQGPJQAYERELAG-KCWPFWIISA-N 1 1 497.087 4.891 20 0 JJADMO CC(C)CC[C@](C)(O)Cn1c(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nnc1C(C)(C)C ZINC001359900172 1064608329 /nfs/dbraw/zinc/60/83/29/1064608329.db2.gz OJHVHPVTZKVROE-KCWPFWIISA-N 1 1 455.691 4.864 20 0 JJADMO CC(C)CCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001359908023 1064624682 /nfs/dbraw/zinc/62/46/82/1064624682.db2.gz RHLZBQCTQAUVJN-XMMPIXPASA-N 1 1 455.647 4.783 20 0 JJADMO Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1OCc1csc(Br)c1 ZINC001435254119 1064631083 /nfs/dbraw/zinc/63/10/83/1064631083.db2.gz GXYOCCGMLHHZGS-YJBOKZPZSA-N 1 1 451.430 4.810 20 0 JJADMO CC(C)CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001359914076 1064633099 /nfs/dbraw/zinc/63/30/99/1064633099.db2.gz BLHUPBJXWDADJJ-SFHVURJKSA-N 1 1 465.484 4.886 20 0 JJADMO CC(C)CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001359914273 1064633848 /nfs/dbraw/zinc/63/38/48/1064633848.db2.gz DXRKZVKMTZXCJT-ZWKOTPCHSA-N 1 1 465.484 4.649 20 0 JJADMO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001435259941 1064635833 /nfs/dbraw/zinc/63/58/33/1064635833.db2.gz FIKPCKBGJVJBRJ-QNWVGRARSA-N 1 1 457.640 4.588 20 0 JJADMO CC[C@H](C)c1ccccc1N1C[C@H](C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1=O ZINC001435260254 1064636435 /nfs/dbraw/zinc/63/64/35/1064636435.db2.gz HXASZXIGOSJSLL-KSYXXAMZSA-N 1 1 453.652 4.814 20 0 JJADMO C[N@H+]1CCC[C@@H](CNC(=O)COc2ccc(OCc3ccccc3)cc2)[C@@H]1c1cccs1 ZINC001435260280 1064636631 /nfs/dbraw/zinc/63/66/31/1064636631.db2.gz IOVKKBSMQLXARI-HFZDXXHNSA-N 1 1 450.604 4.905 20 0 JJADMO C[N@H+]1CCC[C@H](CNC(=O)COc2ccc(Cl)cc2Br)[C@H]1c1cccs1 ZINC001435263297 1064639946 /nfs/dbraw/zinc/63/99/46/1064639946.db2.gz ZRLSTPOEVJIEIZ-YJYMSZOUSA-N 1 1 457.821 4.742 20 0 JJADMO CC(C)CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001359921548 1064647761 /nfs/dbraw/zinc/64/77/61/1064647761.db2.gz LRLMCAODKHYPJJ-FKBYEOEOSA-N 1 1 476.710 4.953 20 0 JJADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c(C)nc(-c2ccco2)nc1SC ZINC001435270195 1064648546 /nfs/dbraw/zinc/64/85/46/1064648546.db2.gz BSCYZMWLKQFUTO-HXUWFJFHSA-N 1 1 450.608 4.751 20 0 JJADMO COc1ccc(-c2nc(COC(=O)c3ccc(C[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)cs2)cc1 ZINC001435272803 1064650545 /nfs/dbraw/zinc/65/05/45/1064650545.db2.gz LHPYUHLMARJAOT-QZTJIDSGSA-N 1 1 452.576 4.785 20 0 JJADMO CC(C)CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CC[N@@H+]1CCOC[C@H]1C)C1CC1 ZINC001359923200 1064651368 /nfs/dbraw/zinc/65/13/68/1064651368.db2.gz BJUSBVUUFYLOTI-QGZVFWFLSA-N 1 1 466.457 4.988 20 0 JJADMO CC(C)CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CC[N@H+]1CCOC[C@H]1C)C1CC1 ZINC001359923200 1064651375 /nfs/dbraw/zinc/65/13/75/1064651375.db2.gz BJUSBVUUFYLOTI-QGZVFWFLSA-N 1 1 466.457 4.988 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1cc(C(=O)OC)c(F)cc1Br ZINC001435280346 1064657884 /nfs/dbraw/zinc/65/78/84/1064657884.db2.gz KOOSSDVXDXSYKI-SJLPKXTDSA-N 1 1 477.374 4.862 20 0 JJADMO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001435285809 1064663312 /nfs/dbraw/zinc/66/33/12/1064663312.db2.gz YQTPSRMRXYVPPW-YKQNXRHISA-N 1 1 465.041 4.653 20 0 JJADMO CC(C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001359933853 1064676083 /nfs/dbraw/zinc/67/60/83/1064676083.db2.gz ZBEWERUXJYWSDA-JOCHJYFZSA-N 1 1 486.680 4.598 20 0 JJADMO CC(C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001359934087 1064677199 /nfs/dbraw/zinc/67/71/99/1064677199.db2.gz VRFHUGLFGLCXDA-OAQYLSRUSA-N 1 1 453.675 4.978 20 0 JJADMO Cc1noc(C)c1CSc1ncccc1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001435302633 1064677750 /nfs/dbraw/zinc/67/77/50/1064677750.db2.gz HILJPGUOFZZZJJ-OAQYLSRUSA-N 1 1 450.608 4.573 20 0 JJADMO CC(C)CC[NH+]1CCC(Cn2c(C(C)C)nnc2N2CCN(CCc3cccs3)CC2)CC1 ZINC001359947507 1064696463 /nfs/dbraw/zinc/69/64/63/1064696463.db2.gz NIVHLHAERHJSPG-UHFFFAOYSA-N 1 1 472.747 4.586 20 0 JJADMO Cc1nc(-c2cnn(C)c2)sc1C(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC001435325703 1064697880 /nfs/dbraw/zinc/69/78/80/1064697880.db2.gz SCZABRSKNFPPDF-UHFFFAOYSA-N 1 1 459.619 4.626 20 0 JJADMO C[N@@H+](CCN(Cc1ccccc1)C(=O)c1cnn(-c2ccc(Cl)cc2)n1)Cc1ccccc1 ZINC001435326191 1064698874 /nfs/dbraw/zinc/69/88/74/1064698874.db2.gz UFXIDYDTXFULAZ-UHFFFAOYSA-N 1 1 459.981 4.695 20 0 JJADMO CC(C)CC[NH+]1CCC(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCN(C(C)C)CC2)CC1 ZINC001359948423 1064700136 /nfs/dbraw/zinc/70/01/36/1064700136.db2.gz WCXIXMHJLPJRKW-UHFFFAOYSA-N 1 1 473.109 4.887 20 0 JJADMO C[N@@H+](CCCOc1ccccc1CNC(=O)c1c(C(F)F)nc2ccccn21)C1CCCC1 ZINC001435352198 1064718474 /nfs/dbraw/zinc/71/84/74/1064718474.db2.gz LYXBTGXDLFZUSR-UHFFFAOYSA-N 1 1 456.537 4.845 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[N@H+]2CCC[C@H]2C)cc1 ZINC001359955055 1064722898 /nfs/dbraw/zinc/72/28/98/1064722898.db2.gz PRUVHRVUVJFEAQ-KNQAVFIVSA-N 1 1 495.590 4.622 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2CC[N@@H+]2CC=CCC2)cc1 ZINC001359955413 1064724371 /nfs/dbraw/zinc/72/43/71/1064724371.db2.gz WLPIQNWKHVULED-JOCHJYFZSA-N 1 1 467.658 4.636 20 0 JJADMO O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)C1(OCc2ccccc2)CCOCC1 ZINC001359957652 1064725782 /nfs/dbraw/zinc/72/57/82/1064725782.db2.gz XECQEVOQCAWQRT-XMMPIXPASA-N 1 1 457.014 4.577 20 0 JJADMO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)C1(OCc2ccccc2)CCOCC1 ZINC001359957652 1064725794 /nfs/dbraw/zinc/72/57/94/1064725794.db2.gz XECQEVOQCAWQRT-XMMPIXPASA-N 1 1 457.014 4.577 20 0 JJADMO CC(C)CCOC1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001359958526 1064728449 /nfs/dbraw/zinc/72/84/49/1064728449.db2.gz ZFRBEYXWTUNLQF-JOCHJYFZSA-N 1 1 471.665 4.771 20 0 JJADMO C[C@@H](c1ccc(NC(=O)COc2ccc(C3SCCCS3)cc2)cc1)[NH+]1CCOCC1 ZINC001359968592 1064744478 /nfs/dbraw/zinc/74/44/78/1064744478.db2.gz AYUCNDTWMBELTL-SFHVURJKSA-N 1 1 458.649 4.966 20 0 JJADMO C[C@H](c1ccc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)cc1)[NH+]1CCOCC1 ZINC001359968727 1064744935 /nfs/dbraw/zinc/74/49/35/1064744935.db2.gz GKGMQZWXUQXQIA-QGZVFWFLSA-N 1 1 456.011 4.962 20 0 JJADMO COc1ccc(-c2nc(C)c(C(=O)Nc3ccc([C@@H](C)[NH+]4CCOCC4)cc3)s2)c(F)c1 ZINC001359968961 1064745091 /nfs/dbraw/zinc/74/50/91/1064745091.db2.gz NJOOCZHKTXZPRK-MRXNPFEDSA-N 1 1 455.555 4.912 20 0 JJADMO Cc1cc(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)nn1-c1ccc(Br)cc1 ZINC001435421794 1064749793 /nfs/dbraw/zinc/74/97/93/1064749793.db2.gz GYBHYFVNLRKHTO-KRWDZBQOSA-N 1 1 455.400 4.584 20 0 JJADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)CC3CCC(C(F)(F)F)CC3)CC2)c1C ZINC001359973126 1064750381 /nfs/dbraw/zinc/75/03/81/1064750381.db2.gz ZBCDNEPFEUVGLE-UHFFFAOYSA-N 1 1 455.565 4.889 20 0 JJADMO CC(C)CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC[N@H+]1CCc2sccc2C1 ZINC001359973249 1064750479 /nfs/dbraw/zinc/75/04/79/1064750479.db2.gz MDDALDIMFSRJGW-UHFFFAOYSA-N 1 1 461.582 4.759 20 0 JJADMO CC[C@H](NC(=O)c1ccc(Br)c(Cl)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435453898 1064765682 /nfs/dbraw/zinc/76/56/82/1064765682.db2.gz AUBRYEBTQANPCG-PMACEKPBSA-N 1 1 451.792 4.512 20 0 JJADMO CC[C@H](NC(=O)c1ccc(Br)c(Cl)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435453898 1064765687 /nfs/dbraw/zinc/76/56/87/1064765687.db2.gz AUBRYEBTQANPCG-PMACEKPBSA-N 1 1 451.792 4.512 20 0 JJADMO CC[C@H](NC(=O)c1ccc(C(F)(F)C(F)(F)F)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435453873 1064765920 /nfs/dbraw/zinc/76/59/20/1064765920.db2.gz AILTXHBKRWVCPX-PMACEKPBSA-N 1 1 456.455 4.750 20 0 JJADMO CC[C@H](NC(=O)c1ccc(C(F)(F)C(F)(F)F)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435453873 1064765932 /nfs/dbraw/zinc/76/59/32/1064765932.db2.gz AILTXHBKRWVCPX-PMACEKPBSA-N 1 1 456.455 4.750 20 0 JJADMO CC[C@H](NC(=O)c1c(C)cc(C)c(Br)c1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435453930 1064765958 /nfs/dbraw/zinc/76/59/58/1064765958.db2.gz BDVPMOHCBFLXPF-SFTDATJTSA-N 1 1 459.428 4.784 20 0 JJADMO CC[C@H](NC(=O)c1c(C)cc(C)c(Br)c1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435453930 1064765977 /nfs/dbraw/zinc/76/59/77/1064765977.db2.gz BDVPMOHCBFLXPF-SFTDATJTSA-N 1 1 459.428 4.784 20 0 JJADMO CC[C@@H](NC(=O)c1cc(Cl)ccc1Br)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435454847 1064766507 /nfs/dbraw/zinc/76/65/07/1064766507.db2.gz FFNCHBNOFGNSIC-WOJBJXKFSA-N 1 1 451.792 4.512 20 0 JJADMO CC[C@@H](NC(=O)c1cc(Cl)ccc1Br)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435454847 1064766515 /nfs/dbraw/zinc/76/65/15/1064766515.db2.gz FFNCHBNOFGNSIC-WOJBJXKFSA-N 1 1 451.792 4.512 20 0 JJADMO CC[C@H](NC(=O)c1cc(Cl)ccc1Br)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435454846 1064766575 /nfs/dbraw/zinc/76/65/75/1064766575.db2.gz FFNCHBNOFGNSIC-VQTJNVASSA-N 1 1 451.792 4.512 20 0 JJADMO CC[C@H](NC(=O)c1cc(Cl)ccc1Br)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435454846 1064766585 /nfs/dbraw/zinc/76/65/85/1064766585.db2.gz FFNCHBNOFGNSIC-VQTJNVASSA-N 1 1 451.792 4.512 20 0 JJADMO CC(C)CN(c1nnc(-c2ccccc2Br)n1CC[N@@H+]1CCOC[C@H]1C)C1CCCC1 ZINC001359986396 1064767126 /nfs/dbraw/zinc/76/71/26/1064767126.db2.gz KUKLOIUWMQNBSG-LJQANCHMSA-N 1 1 490.490 4.833 20 0 JJADMO CC(C)CN(c1nnc(-c2ccccc2Br)n1CC[N@H+]1CCOC[C@H]1C)C1CCCC1 ZINC001359986396 1064767141 /nfs/dbraw/zinc/76/71/41/1064767141.db2.gz KUKLOIUWMQNBSG-LJQANCHMSA-N 1 1 490.490 4.833 20 0 JJADMO CC(C)CN(c1nnc(-c2noc3c2COCC3)n1CCCC[N@H+]1CCCC[C@@H]1C)C(C)C ZINC001359987551 1064768788 /nfs/dbraw/zinc/76/87/88/1064768788.db2.gz UIHOPAYTDWNQGL-FQEVSTJZSA-N 1 1 458.651 4.531 20 0 JJADMO CC(C)CN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(C)C ZINC001359989541 1064771030 /nfs/dbraw/zinc/77/10/30/1064771030.db2.gz OBQMXZQYERIGSJ-JWQCQUIFSA-N 1 1 453.675 4.608 20 0 JJADMO CC(C)CN(c1nnc(Cc2ccc(Cl)cc2)n1CCN1CC[N@@H+](C)C(C)(C)C1)C1CCCC1 ZINC001359990021 1064771443 /nfs/dbraw/zinc/77/14/43/1064771443.db2.gz IEIWMBANCGVDOX-UHFFFAOYSA-N 1 1 487.136 4.953 20 0 JJADMO CC(C)CN(c1nnc(Cc2ccc(Cl)cc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1)C1CCCC1 ZINC001359990021 1064771458 /nfs/dbraw/zinc/77/14/58/1064771458.db2.gz IEIWMBANCGVDOX-UHFFFAOYSA-N 1 1 487.136 4.953 20 0 JJADMO CC(C)CN(c1nnc(Cc2ccc(Cl)cc2)n1CC[N@H+]1CCN(C)C(C)(C)C1)C1CCCC1 ZINC001359990021 1064771471 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FUDAELAXZOBWAS-VWLOTQADSA-N 1 1 460.066 4.648 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCc2ccsc2)CC1 ZINC001360095889 1064971458 /nfs/dbraw/zinc/97/14/58/1064971458.db2.gz SQMZYBPSCKDSEZ-UHFFFAOYSA-N 1 1 471.646 4.857 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccsc3)n2CCc2ccc(N(C)C)cc2)CC1 ZINC001360096171 1064972389 /nfs/dbraw/zinc/97/23/89/1064972389.db2.gz ZHCSJRSZHGWRFY-UHFFFAOYSA-N 1 1 480.726 4.796 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(F)(F)CC1 ZINC001360097439 1064974504 /nfs/dbraw/zinc/97/45/04/1064974504.db2.gz HQLDBFICFQLQAL-UHFFFAOYSA-N 1 1 474.369 4.813 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H]2OCCC[C@H]2C1 ZINC001360097392 1064974712 /nfs/dbraw/zinc/97/47/12/1064974712.db2.gz GCRMENSYEZPWBP-LAUBAEHRSA-N 1 1 494.453 4.582 20 0 JJADMO C[N@H+]1CC[C@@H](CNC(=O)c2cccc(OCc3cccnc3)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435750873 1064975657 /nfs/dbraw/zinc/97/56/57/1064975657.db2.gz UFCCMEVFOIVTKD-RDPSFJRHSA-N 1 1 453.945 4.876 20 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CC(C)[N@@H+](C)CCCn1c(CC2CCCC2)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001360103441 1064983160 /nfs/dbraw/zinc/98/31/60/1064983160.db2.gz LSOXINHXORPNIB-UHFFFAOYSA-N 1 1 457.688 4.902 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cccc(Cl)c1 ZINC001360104641 1064985679 /nfs/dbraw/zinc/98/56/79/1064985679.db2.gz VIOYVEWSOPJVFO-UHFFFAOYSA-N 1 1 465.827 4.666 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)C1CCCCC1 ZINC001360104448 1064986128 /nfs/dbraw/zinc/98/61/28/1064986128.db2.gz RPVFZHOFPOOYMY-KRWDZBQOSA-N 1 1 465.484 4.791 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CCc2ccccc21 ZINC001360104442 1064986163 /nfs/dbraw/zinc/98/61/63/1064986163.db2.gz RLVNSVILWPZSCG-FQEVSTJZSA-N 1 1 471.447 4.510 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001360106946 1064988593 /nfs/dbraw/zinc/98/85/93/1064988593.db2.gz XBNTVDQVDMBUTQ-UZLBHIALSA-N 1 1 452.430 4.597 20 0 JJADMO 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CC(C)[N@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCOC[C@H]2C)C1 ZINC001360140181 1065036595 /nfs/dbraw/zinc/03/65/95/1065036595.db2.gz YQDQSARLRUAUIE-SJORKVTESA-N 1 1 452.430 4.597 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCOC[C@H]2C)C1 ZINC001360140179 1065036770 /nfs/dbraw/zinc/03/67/70/1065036770.db2.gz YQDQSARLRUAUIE-IAGOWNOFSA-N 1 1 452.430 4.597 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3ccccc3F)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)C1 ZINC001360140220 1065037154 /nfs/dbraw/zinc/03/71/54/1065037154.db2.gz ZMZDPPMETLRUCB-KRWDZBQOSA-N 1 1 493.553 4.593 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@@H](C)c2ccccc2)C1 ZINC001360140542 1065037629 /nfs/dbraw/zinc/03/76/29/1065037629.db2.gz GHARBGUMTYDFTH-LEWJYISDSA-N 1 1 480.682 4.587 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(CC3CCCC3)nnc2N2CCC=C(Br)C2)C1 ZINC001360140475 1065037756 /nfs/dbraw/zinc/03/77/56/1065037756.db2.gz DYFKDZRACDKVPH-LJQANCHMSA-N 1 1 450.469 4.620 20 0 JJADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)c1 ZINC001435875310 1065038030 /nfs/dbraw/zinc/03/80/30/1065038030.db2.gz GMAHBQAYNRTKJM-HHHXNRCGSA-N 1 1 459.659 4.666 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(CCOc3ccccc3)nnc2N2CCC(C(F)(F)F)CC2)C1 ZINC001360140621 1065038053 /nfs/dbraw/zinc/03/80/53/1065038053.db2.gz HOXVGLRKRYIMOC-HXUWFJFHSA-N 1 1 479.591 4.799 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCOC(C)(C)[C@@H]2C)C1 ZINC001360140704 1065038847 /nfs/dbraw/zinc/03/88/47/1065038847.db2.gz IZOJLGYBKPUWIG-PZJWPPBQSA-N 1 1 460.066 4.646 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2cccc(OC(F)F)c2)C1 ZINC001360140840 1065038880 /nfs/dbraw/zinc/03/88/80/1065038880.db2.gz JPFNLLLLAADMSJ-IFMALSPDSA-N 1 1 477.600 4.878 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](COc3ccccc3)C2)C1 ZINC001360141366 1065039399 /nfs/dbraw/zinc/03/93/99/1065039399.db2.gz ONWOWJMCEOTHTP-DHIUTWEWSA-N 1 1 453.675 4.892 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CCSC[C@@H]2C)C1 ZINC001360141586 1065040136 /nfs/dbraw/zinc/04/01/36/1065040136.db2.gz QMSYJKPFRXXNOA-RBUKOAKNSA-N 1 1 464.079 4.573 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@H]3CCCOC3)nnc2N(C)CCCCc2ccccc2)C1 ZINC001360141638 1065041048 /nfs/dbraw/zinc/04/10/48/1065041048.db2.gz QYBJIYVWSUGGIR-RPBOFIJWSA-N 1 1 453.675 4.752 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)C[C@@H]2CCCOC2)C1 ZINC001360142192 1065041784 /nfs/dbraw/zinc/04/17/84/1065041784.db2.gz UXPOFYACCWMFBV-YADHBBJMSA-N 1 1 460.066 4.506 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC[C@@H]2CCOC2)CC1 ZINC001360143512 1065043543 /nfs/dbraw/zinc/04/35/43/1065043543.db2.gz IDODPQPTNYFTBB-QGZVFWFLSA-N 1 1 496.881 4.708 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC[C@H]2CCOC2)CC1 ZINC001360143511 1065043571 /nfs/dbraw/zinc/04/35/71/1065043571.db2.gz IDODPQPTNYFTBB-KRWDZBQOSA-N 1 1 496.881 4.708 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCSCC(F)(F)F)CC1 ZINC001360143436 1065044113 /nfs/dbraw/zinc/04/41/13/1065044113.db2.gz GRXJLAAZMORNHY-UHFFFAOYSA-N 1 1 493.603 4.551 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccccc3Br)n2CCCC(F)(F)F)CC1 ZINC001360144755 1065046788 /nfs/dbraw/zinc/04/67/88/1065046788.db2.gz VIRPDKGCTAARKS-UHFFFAOYSA-N 1 1 474.369 4.971 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC001360146832 1065048471 /nfs/dbraw/zinc/04/84/71/1065048471.db2.gz XZEWHFPEXKEPTH-SFTDATJTSA-N 1 1 464.580 4.553 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001545893974 1065049088 /nfs/dbraw/zinc/04/90/88/1065049088.db2.gz LTTJTIYUNRVJGR-RBUKOAKNSA-N 1 1 486.627 4.630 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(CC3CC3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)CC1 ZINC001360147287 1065049969 /nfs/dbraw/zinc/04/99/69/1065049969.db2.gz PCCRBMDRDYPOBM-NRFANRHFSA-N 1 1 453.528 4.772 20 0 JJADMO Cc1ccccc1-n1ncc(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c1C(F)(F)F ZINC001360148764 1065051847 /nfs/dbraw/zinc/05/18/47/1065051847.db2.gz MYFGNHMEHMZEGJ-QGZVFWFLSA-N 1 1 458.484 4.845 20 0 JJADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)[C@H](C)C1 ZINC001360151021 1065055155 /nfs/dbraw/zinc/05/51/55/1065055155.db2.gz PSUVXLOKQQIBRT-CRAIPNDOSA-N 1 1 455.546 4.696 20 0 JJADMO CC(C)NC(=O)c1nnc(N(Cc2ccc(F)cc2)C(C)C)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001360181578 1065068812 /nfs/dbraw/zinc/06/88/12/1065068812.db2.gz KAFMHPSVGHWXBQ-XMMPIXPASA-N 1 1 484.664 4.768 20 0 JJADMO CC(C)NC(=O)c1nnc(N2CCC(C(C)C)CC2)n1C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001360195617 1065076884 /nfs/dbraw/zinc/07/68/84/1065076884.db2.gz WETCTAVHPMARBW-DEOSSOPVSA-N 1 1 480.701 4.591 20 0 JJADMO COc1ccc(OC(F)F)c(COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)c1 ZINC001360232774 1065092659 /nfs/dbraw/zinc/09/26/59/1065092659.db2.gz WJUSFWWLAZULKE-XZOQPEGZSA-N 1 1 468.500 4.651 20 0 JJADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC001436016608 1065115077 /nfs/dbraw/zinc/11/50/77/1065115077.db2.gz DONKYEKADKJYOA-OAQYLSRUSA-N 1 1 456.512 4.922 20 0 JJADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c1 ZINC001436020142 1065118057 /nfs/dbraw/zinc/11/80/57/1065118057.db2.gz BNCKAPVNRZPXCN-MHZLTWQESA-N 1 1 451.611 4.696 20 0 JJADMO Cc1ccccc1-n1ncc(C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1C(F)(F)F ZINC001436094783 1065176308 /nfs/dbraw/zinc/17/63/08/1065176308.db2.gz FGBPYFRLMMPXPJ-XMMPIXPASA-N 1 1 456.512 4.842 20 0 JJADMO CC(C)O[C@@]1(c2nnc(N3CCC(C(C)C)CC3)n2CCCC[N@H+]2CCCC[C@@H]2C)CCOC1 ZINC001360336111 1065183997 /nfs/dbraw/zinc/18/39/97/1065183997.db2.gz NJCKCPOCFIQKQF-HOFKKMOUSA-N 1 1 475.722 4.846 20 0 JJADMO CC(C)O[C@]1(c2nnc(N3CCC[N@H+](C(C)C)CC3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCOC1 ZINC001360345757 1065195164 /nfs/dbraw/zinc/19/51/64/1065195164.db2.gz NJVHIXKLOLKOLQ-TXTKFYIRSA-N 1 1 487.611 4.533 20 0 JJADMO CC(C)Oc1ccc(Cn2c(N(C)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)cn1 ZINC001360357431 1065208445 /nfs/dbraw/zinc/20/84/45/1065208445.db2.gz JAFOZRKTZBSIFJ-DEOSSOPVSA-N 1 1 476.669 4.907 20 0 JJADMO CC1CCC(Oc2cc(CNC(=O)c3ccc(C[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)ccn2)CC1 ZINC001360357873 1065209443 /nfs/dbraw/zinc/20/94/43/1065209443.db2.gz ZWJCQKGGZFFGGZ-IYZJKTGWSA-N 1 1 451.611 4.578 20 0 JJADMO CC(C)Oc1cccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001360360424 1065213839 /nfs/dbraw/zinc/21/38/39/1065213839.db2.gz UGJKPZSKBXQDCA-IBGZPJMESA-N 1 1 469.033 4.901 20 0 JJADMO CC(C)OC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001360367873 1065227195 /nfs/dbraw/zinc/22/71/95/1065227195.db2.gz NUPODJHRARLVFO-UHFFFAOYSA-N 1 1 471.690 4.889 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C)CC2)n1C[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001545895912 1065231502 /nfs/dbraw/zinc/23/15/02/1065231502.db2.gz HYJZMIQDMQQTSU-BWKNWUBXSA-N 1 1 480.701 4.660 20 0 JJADMO CC(C)OCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001360376482 1065235070 /nfs/dbraw/zinc/23/50/70/1065235070.db2.gz FGOXEJYKXXTZIN-NRFANRHFSA-N 1 1 476.463 4.587 20 0 JJADMO CCC[N@@H+](C)[C@@H](CNC(=O)c1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(Cl)cc1 ZINC001436197597 1065245544 /nfs/dbraw/zinc/24/55/44/1065245544.db2.gz KKLAFHWXFYJMFM-DFIYOIEZSA-N 1 1 458.046 4.762 20 0 JJADMO CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001360387119 1065251186 /nfs/dbraw/zinc/25/11/86/1065251186.db2.gz AEZFXPNEFPEIAT-BJKOFHAPSA-N 1 1 453.652 4.749 20 0 JJADMO CC(C)OCCCn1c(-c2cccn2C)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001360386757 1065251325 /nfs/dbraw/zinc/25/13/25/1065251325.db2.gz NUXWKAWODZFKNO-UPVQGACJSA-N 1 1 464.658 4.588 20 0 JJADMO CN(C(=O)c1ccc(NC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC001360387494 1065252092 /nfs/dbraw/zinc/25/20/92/1065252092.db2.gz IXRDGNMGKCNIAE-PMACEKPBSA-N 1 1 451.464 4.521 20 0 JJADMO C[N@H+](CCC(F)(F)F)[C@@H](CNC(=O)CCc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC001436228776 1065266722 /nfs/dbraw/zinc/26/67/22/1065266722.db2.gz GJKWCUIWHOYUBM-FQEVSTJZSA-N 1 1 454.920 4.949 20 0 JJADMO C[N@@H+](CCC(F)(F)F)[C@@H](CNC(=O)CCc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC001436228776 1065266733 /nfs/dbraw/zinc/26/67/33/1065266733.db2.gz GJKWCUIWHOYUBM-FQEVSTJZSA-N 1 1 454.920 4.949 20 0 JJADMO CC(C)OCCn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001360406802 1065269281 /nfs/dbraw/zinc/26/92/81/1065269281.db2.gz XDPXQYPPMDDLTC-ZJSXRUAMSA-N 1 1 467.683 4.845 20 0 JJADMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001360411928 1065275139 /nfs/dbraw/zinc/27/51/39/1065275139.db2.gz JDBLPMQQXGAYOW-INIZCTEOSA-N 1 1 457.290 4.742 20 0 JJADMO C[C@@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cccc(-n2cccc2)c1 ZINC001436259706 1065278682 /nfs/dbraw/zinc/27/86/82/1065278682.db2.gz WTEISOROJSJTFE-QGZVFWFLSA-N 1 1 453.384 4.632 20 0 JJADMO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)/C=C\c2ccc(C(C)(C)C)cc2)CC1 ZINC001436263885 1065279952 /nfs/dbraw/zinc/27/99/52/1065279952.db2.gz JGSAHLWUILFHQF-YFHOEESVSA-N 1 1 457.416 4.545 20 0 JJADMO C[C@@H]1CN(C(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001436279494 1065285647 /nfs/dbraw/zinc/28/56/47/1065285647.db2.gz MXHMLULOAZNTOT-IBGZPJMESA-N 1 1 456.512 4.544 20 0 JJADMO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC001436281560 1065286305 /nfs/dbraw/zinc/28/63/05/1065286305.db2.gz UQTLKDHISPPFAV-GOSISDBHSA-N 1 1 454.977 4.626 20 0 JJADMO C[C@H]1CN(C(=O)c2ccc(OC(F)F)c(Br)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001436281600 1065286381 /nfs/dbraw/zinc/28/63/81/1065286381.db2.gz UXDZVPLZMKHYCE-OAHLLOKOSA-N 1 1 453.327 4.645 20 0 JJADMO CC(C)SCCn1c(Cc2ccsc2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001360422595 1065289012 /nfs/dbraw/zinc/28/90/12/1065289012.db2.gz FOBBDYMQYIDUCA-HXUWFJFHSA-N 1 1 455.697 4.783 20 0 JJADMO CC(C)SCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001360425081 1065294405 /nfs/dbraw/zinc/29/44/05/1065294405.db2.gz UQCLMNHUIRXNSQ-FGZHOGPDSA-N 1 1 463.736 4.793 20 0 JJADMO CCOc1cc(C(=O)Nc2nc3c(s2)C[N@H+](CC)CC3)ccc1OCCOc1ccccc1 ZINC000021294449 1065295184 /nfs/dbraw/zinc/29/51/84/1065295184.db2.gz NBFDPHGRBXITFB-UHFFFAOYSA-N 1 1 467.591 4.630 20 0 JJADMO CCOc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](CC)CC3)ccc1OCCOc1ccccc1 ZINC000021294449 1065295201 /nfs/dbraw/zinc/29/52/01/1065295201.db2.gz NBFDPHGRBXITFB-UHFFFAOYSA-N 1 1 467.591 4.630 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)c1ccc(O[C@@H]2CCOC2)cc1 ZINC001436429385 1065317091 /nfs/dbraw/zinc/31/70/91/1065317091.db2.gz DUJLRBDFJVTTKE-XNMGPUDCSA-N 1 1 450.623 4.660 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1Cc1sccc1C ZINC001545898518 1065324279 /nfs/dbraw/zinc/32/42/79/1065324279.db2.gz VVDFZCXEZVWRAO-SFTDATJTSA-N 1 1 486.730 4.706 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1Cc1sccc1C ZINC001545898515 1065324429 /nfs/dbraw/zinc/32/44/29/1065324429.db2.gz VVDFZCXEZVWRAO-LEWJYISDSA-N 1 1 486.730 4.706 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)n1Cc1sccc1C ZINC001545898517 1065324450 /nfs/dbraw/zinc/32/44/50/1065324450.db2.gz VVDFZCXEZVWRAO-RTWAWAEBSA-N 1 1 486.730 4.706 20 0 JJADMO O=C(OCc1ccc(Br)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001436487313 1065332580 /nfs/dbraw/zinc/33/25/80/1065332580.db2.gz OXQYBJOTVMQJQD-XZOQPEGZSA-N 1 1 451.364 4.803 20 0 JJADMO C[C@@H](c1ccccc1)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[N@@H+](C)C1CCCCC1 ZINC001360450600 1065342456 /nfs/dbraw/zinc/34/24/56/1065342456.db2.gz OZEOWWYFSRPRDL-FQEVSTJZSA-N 1 1 480.682 4.732 20 0 JJADMO C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc(Br)cc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001360454374 1065351445 /nfs/dbraw/zinc/35/14/45/1065351445.db2.gz IQQBEIGGYYNQNB-KRWDZBQOSA-N 1 1 488.430 4.609 20 0 JJADMO C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc(Br)cc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001360454374 1065351458 /nfs/dbraw/zinc/35/14/58/1065351458.db2.gz IQQBEIGGYYNQNB-KRWDZBQOSA-N 1 1 488.430 4.609 20 0 JJADMO C[C@@H](c1ccco1)N(C)c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+](C)C1CCCC1 ZINC001360454726 1065353482 /nfs/dbraw/zinc/35/34/82/1065353482.db2.gz PVRPGTXJYQYJOJ-INIZCTEOSA-N 1 1 475.435 4.711 20 0 JJADMO COc1ccc(CCC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1Br ZINC001360455480 1065355334 /nfs/dbraw/zinc/35/53/34/1065355334.db2.gz MRLZLMXEQUEDAV-GHTZIAJQSA-N 1 1 459.428 4.902 20 0 JJADMO C[C@@H]1C[C@@H](N(C)C(=O)COCCc2ccc(Br)cc2)CC[N@H+]1Cc1ccccc1 ZINC001360458967 1065359713 /nfs/dbraw/zinc/35/97/13/1065359713.db2.gz CYLFYPVCJLUGRT-XXBNENTESA-N 1 1 459.428 4.520 20 0 JJADMO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc3cncc(Br)c3n2)CC[N@H+]1Cc1ccccc1 ZINC001360459156 1065360494 /nfs/dbraw/zinc/36/04/94/1065360494.db2.gz FZUDOOYYVLMNHF-APWZRJJASA-N 1 1 453.384 4.517 20 0 JJADMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC(C)(C)O)CC1 ZINC001360466020 1065376065 /nfs/dbraw/zinc/37/60/65/1065376065.db2.gz GNRKRPHZEVBONW-KRWDZBQOSA-N 1 1 460.047 4.704 20 0 JJADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(CCc3ccccc3)n2CCOC(C)(C)C)CC1 ZINC001360466757 1065379430 /nfs/dbraw/zinc/37/94/30/1065379430.db2.gz HZFOIAAWFRUISB-OAQYLSRUSA-N 1 1 467.683 4.823 20 0 JJADMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(CCc3ccccc3)n2CCOC(C)(C)C)CC1 ZINC001360466756 1065379559 /nfs/dbraw/zinc/37/95/59/1065379559.db2.gz HZFOIAAWFRUISB-NRFANRHFSA-N 1 1 467.683 4.823 20 0 JJADMO CCC[C@@H]1CN(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CC[N@H+]1CCOC ZINC001545899668 1065380215 /nfs/dbraw/zinc/38/02/15/1065380215.db2.gz WHTQXWGZBHIQCF-QGZVFWFLSA-N 1 1 454.398 4.540 20 0 JJADMO CC(C)(C)[S@](=O)Cc1cccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)c1 ZINC001360480261 1065399082 /nfs/dbraw/zinc/39/90/82/1065399082.db2.gz SQQZHHYOWQKMDA-XDWGWCSASA-N 1 1 475.658 4.983 20 0 JJADMO Cc1ccc(-c2cc(C(=O)NC3CC[NH+](Cc4cccc(Br)c4)CC3)on2)cc1 ZINC001436718417 1065429444 /nfs/dbraw/zinc/42/94/44/1065429444.db2.gz WPNKAQSCPOLINH-UHFFFAOYSA-N 1 1 454.368 4.807 20 0 JJADMO COc1cc(Cl)c(F)c(C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)c1 ZINC001436717534 1065429525 /nfs/dbraw/zinc/42/95/25/1065429525.db2.gz NRJMTOFYBPVFFE-UHFFFAOYSA-N 1 1 455.755 4.645 20 0 JJADMO C[C@H](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC001360505487 1065440728 /nfs/dbraw/zinc/44/07/28/1065440728.db2.gz PFXHGNLVAYPODR-MSOLQXFVSA-N 1 1 471.447 4.935 20 0 JJADMO C[C@@H](CCn1c(C2CCC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360508731 1065448204 /nfs/dbraw/zinc/44/82/04/1065448204.db2.gz IBDYDWZKISTAIL-URXFXBBRSA-N 1 1 496.700 4.902 20 0 JJADMO C[C@@H](CCn1c([C@H]2CCCCO2)nnc1N1CCSC(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360509448 1065449712 /nfs/dbraw/zinc/44/97/12/1065449712.db2.gz SKXVOCFMTVAPAR-RBBKRZOGSA-N 1 1 457.688 4.762 20 0 JJADMO C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)nnc1C(C)(C)C ZINC001360519529 1065487362 /nfs/dbraw/zinc/48/73/62/1065487362.db2.gz OQKZJQJYQZPKNT-SJBKTWHCSA-N 1 1 488.721 4.532 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001360520376 1065492298 /nfs/dbraw/zinc/49/22/98/1065492298.db2.gz FNTYCDJTVIBFTC-LJQANCHMSA-N 1 1 463.655 4.858 20 0 JJADMO CSc1ncc(C(=O)N(C(C)C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1-c1ccc(F)cc1 ZINC001437035223 1065498705 /nfs/dbraw/zinc/49/87/05/1065498705.db2.gz YAZSNARHPSFLGN-QFIPXVFZSA-N 1 1 452.599 4.858 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2cccc(OC)c2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001545904342 1065503229 /nfs/dbraw/zinc/50/32/29/1065503229.db2.gz SKIPTUAKBAMLST-SQJMNOBHSA-N 1 1 496.700 4.667 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)c2ccccc2)CC1 ZINC001360535714 1065517370 /nfs/dbraw/zinc/51/73/70/1065517370.db2.gz GQQKDRLRWRBMAG-SFHVURJKSA-N 1 1 471.447 4.760 20 0 JJADMO O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001437190928 1065518343 /nfs/dbraw/zinc/51/83/43/1065518343.db2.gz GYNCNEOWUYKLPH-KRWDZBQOSA-N 1 1 452.813 4.818 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@]3(CC=CCC3)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001545905443 1065518403 /nfs/dbraw/zinc/51/84/03/1065518403.db2.gz BJKDOOFJQGWGHP-AJTFRIOCSA-N 1 1 470.706 4.644 20 0 JJADMO CCC[N@@H+](Cc1ccccc1)Cc1ccc(NC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)cc1 ZINC001437226671 1065522418 /nfs/dbraw/zinc/52/24/18/1065522418.db2.gz RJGBMVYCRGORAV-UHFFFAOYSA-N 1 1 457.578 4.645 20 0 JJADMO C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001360540614 1065525474 /nfs/dbraw/zinc/52/54/74/1065525474.db2.gz HNTDDBUNLQHUBR-OFNKIYASSA-N 1 1 494.728 4.856 20 0 JJADMO C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001360540612 1065525550 /nfs/dbraw/zinc/52/55/50/1065525550.db2.gz HNTDDBUNLQHUBR-NFBKMPQASA-N 1 1 494.728 4.856 20 0 JJADMO C[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001360540768 1065526378 /nfs/dbraw/zinc/52/63/78/1065526378.db2.gz IBIVSTBAAWQTPR-SFHVURJKSA-N 1 1 479.591 4.742 20 0 JJADMO C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C(F)(F)F)C1)[N@@H+](C)C1CC1 ZINC001360541130 1065527485 /nfs/dbraw/zinc/52/74/85/1065527485.db2.gz IFCAAMJUWGUGTO-KBPBESRZSA-N 1 1 459.919 4.999 20 0 JJADMO C[C@H](Cn1c(-c2ccccc2Cl)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360544833 1065534779 /nfs/dbraw/zinc/53/47/79/1065534779.db2.gz QXNQLQAIBGHYDO-CEXWTWQISA-N 1 1 489.064 4.527 20 0 JJADMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC001437320104 1065537007 /nfs/dbraw/zinc/53/70/07/1065537007.db2.gz RJVJBWGDIDQDBP-AAGTZVQDSA-N 1 1 457.659 4.970 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3CCC[C@@H]32)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001545906425 1065540953 /nfs/dbraw/zinc/54/09/53/1065540953.db2.gz YNMWVUYWXSYTKT-OFAXGOBFSA-N 1 1 487.092 4.922 20 0 JJADMO CC(C)(C)c1ccc(OCCCC(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001437376467 1065544844 /nfs/dbraw/zinc/54/48/44/1065544844.db2.gz KOKNVNRXCZJOTQ-IZZNHLLZSA-N 1 1 450.623 4.645 20 0 JJADMO C[C@H](Cn1c(C2CC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)[N@@H+](C)Cc1ccccc1 ZINC001360555666 1065545846 /nfs/dbraw/zinc/54/58/46/1065545846.db2.gz WYTBSGJSQYGQPF-OAHLLOKOSA-N 1 1 475.481 4.997 20 0 JJADMO CC(C)c1cccc(NC(=O)COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)c1 ZINC001437409555 1065548036 /nfs/dbraw/zinc/54/80/36/1065548036.db2.gz GMYMWHKXHLOOBR-IZZNHLLZSA-N 1 1 457.574 4.603 20 0 JJADMO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](c2ccnn2C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360568954 1065561542 /nfs/dbraw/zinc/56/15/42/1065561542.db2.gz HLTOVXMSZDPJGN-JTHBVZDNSA-N 1 1 463.674 4.505 20 0 JJADMO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](c2ccnn2C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360568949 1065561616 /nfs/dbraw/zinc/56/16/16/1065561616.db2.gz HLTOVXMSZDPJGN-FYYLOGMGSA-N 1 1 463.674 4.505 20 0 JJADMO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1nccs1 ZINC001360568998 1065561632 /nfs/dbraw/zinc/56/16/32/1065561632.db2.gz ICTHQNNWSZCKEI-PMACEKPBSA-N 1 1 452.672 4.838 20 0 JJADMO C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C(F)(F)F)C1)[N@@H+](C)Cc1ccccc1 ZINC001360574932 1065570757 /nfs/dbraw/zinc/57/07/57/1065570757.db2.gz QFPPQPOHRUAQBD-SIKLNZKXSA-N 1 1 472.559 4.563 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C)c2nccs2)CC1 ZINC001360577376 1065572587 /nfs/dbraw/zinc/57/25/87/1065572587.db2.gz BDRYLKXFNPKXCP-OAQYLSRUSA-N 1 1 466.699 4.880 20 0 JJADMO COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC001437553423 1065572644 /nfs/dbraw/zinc/57/26/44/1065572644.db2.gz KZZNYJVUMFORPI-AWEZNQCLSA-N 1 1 455.605 4.796 20 0 JJADMO C[C@@H](Cn1c(Cc2ccsc2)nnc1N(C)Cc1nccs1)[N@@H+](C)Cc1ccccc1 ZINC001360579627 1065576235 /nfs/dbraw/zinc/57/62/35/1065576235.db2.gz TUUHPUIQPOZNEH-SFHVURJKSA-N 1 1 452.653 4.544 20 0 JJADMO Cc1cc(Br)ccc1CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001360585926 1065585357 /nfs/dbraw/zinc/58/53/57/1065585357.db2.gz YIJJANOUXIHFKO-HXUWFJFHSA-N 1 1 455.318 4.828 20 0 JJADMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001437651140 1065588475 /nfs/dbraw/zinc/58/84/75/1065588475.db2.gz FYTMRFXTVSCMMV-HNNXBMFYSA-N 1 1 452.780 4.892 20 0 JJADMO C[C@H](Cn1c(N2CCC[C@@H](Oc3ncccc3F)C2)nnc1C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001360587482 1065589166 /nfs/dbraw/zinc/58/91/66/1065589166.db2.gz QHJPZIMEMFFGFU-IFMALSPDSA-N 1 1 480.632 4.678 20 0 JJADMO C[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCOC(C)(C)[C@H]1C)[N@@H+](C)C1CC1 ZINC001360587793 1065589909 /nfs/dbraw/zinc/58/99/09/1065589909.db2.gz PQJGUXSXHDLJFG-IAGOWNOFSA-N 1 1 464.079 4.710 20 0 JJADMO COc1cccc(C(=O)c2ccc(C(=O)N3CC[N@H+](Cc4ccccc4)[C@H](C(C)C)C3)cc2)c1 ZINC001437731594 1065597247 /nfs/dbraw/zinc/59/72/47/1065597247.db2.gz VPOYFVBPALGHRN-MHZLTWQESA-N 1 1 456.586 4.909 20 0 JJADMO COc1cccc(C(=O)c2ccc(C(=O)N3CC[N@@H+](Cc4ccccc4)[C@H](C(C)C)C3)cc2)c1 ZINC001437731594 1065597255 /nfs/dbraw/zinc/59/72/55/1065597255.db2.gz VPOYFVBPALGHRN-MHZLTWQESA-N 1 1 456.586 4.909 20 0 JJADMO C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001360591247 1065598374 /nfs/dbraw/zinc/59/83/74/1065598374.db2.gz ZNDBFFPUOCINLQ-ZVDOUQERSA-N 1 1 474.694 4.705 20 0 JJADMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)cc1 ZINC001437821978 1065616028 /nfs/dbraw/zinc/61/60/28/1065616028.db2.gz CYVVDROAFIEECR-KRWDZBQOSA-N 1 1 452.904 4.790 20 0 JJADMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)cc1 ZINC001437821978 1065616043 /nfs/dbraw/zinc/61/60/43/1065616043.db2.gz CYVVDROAFIEECR-KRWDZBQOSA-N 1 1 452.904 4.790 20 0 JJADMO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(F)(F)c1ccccc1Br ZINC001437872531 1065623243 /nfs/dbraw/zinc/62/32/43/1065623243.db2.gz LTNLPCGVVZALFZ-HXUWFJFHSA-N 1 1 451.355 4.910 20 0 JJADMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(F)(F)c1ccccc1Br ZINC001437872531 1065623249 /nfs/dbraw/zinc/62/32/49/1065623249.db2.gz LTNLPCGVVZALFZ-HXUWFJFHSA-N 1 1 451.355 4.910 20 0 JJADMO C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(CC(C)(C)C)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001360612670 1065654184 /nfs/dbraw/zinc/65/41/84/1065654184.db2.gz WYSLDUDPUCSVGY-QFIPXVFZSA-N 1 1 498.716 4.740 20 0 JJADMO C[C@H](COCc1ccccc1)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001360613827 1065658526 /nfs/dbraw/zinc/65/85/26/1065658526.db2.gz IAOZQAQQFORXED-UPVQGACJSA-N 1 1 469.674 4.683 20 0 JJADMO COC[C@@H](C)Oc1ccc(COC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001438081098 1065666574 /nfs/dbraw/zinc/66/65/74/1065666574.db2.gz YKIHHBYTBYJYKH-JPYJTQIMSA-N 1 1 451.485 4.598 20 0 JJADMO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1 ZINC001360631231 1065680593 /nfs/dbraw/zinc/68/05/93/1065680593.db2.gz LXUDEJRXPOTVSB-LVXARBLLSA-N 1 1 456.590 4.874 20 0 JJADMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(C(C)(C)C)n2CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001360638805 1065704547 /nfs/dbraw/zinc/70/45/47/1065704547.db2.gz JDJMKPKUHZBZPE-ACRUOGEOSA-N 1 1 476.710 4.580 20 0 JJADMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCC[N@H+]2CCCC[C@H]2C)C1 ZINC001360638808 1065704780 /nfs/dbraw/zinc/70/47/80/1065704780.db2.gz JDJMKPKUHZBZPE-QHAWAJNXSA-N 1 1 476.710 4.580 20 0 JJADMO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001360639015 1065706463 /nfs/dbraw/zinc/70/64/63/1065706463.db2.gz MOHLEIDQADSILF-LJQANCHMSA-N 1 1 476.710 4.580 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 ZINC001438337680 1065711608 /nfs/dbraw/zinc/71/16/08/1065711608.db2.gz OUEDQCTYJXHURT-JSRBVGTNSA-N 1 1 464.993 4.900 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)C(F)(F)c2ccccc2OC)cc1 ZINC001438340454 1065712134 /nfs/dbraw/zinc/71/21/34/1065712134.db2.gz SPBNNVVWQUZSRC-LADGPHEKSA-N 1 1 466.528 4.580 20 0 JJADMO Cc1c(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001438347033 1065714115 /nfs/dbraw/zinc/71/41/15/1065714115.db2.gz VMLVJKMIPVVHPI-PXNSSMCTSA-N 1 1 456.512 4.697 20 0 JJADMO Cc1c(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001438347029 1065714144 /nfs/dbraw/zinc/71/41/44/1065714144.db2.gz VMLVJKMIPVVHPI-FXAWDEMLSA-N 1 1 456.512 4.697 20 0 JJADMO O=C(N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)c1cnc2ncc(Br)cc2c1 ZINC001438361991 1065716513 /nfs/dbraw/zinc/71/65/13/1065716513.db2.gz XWAXTPKEAWKGME-NRFANRHFSA-N 1 1 453.384 4.567 20 0 JJADMO Cc1nc(SCC(C)C)sc1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC001360644193 1065718381 /nfs/dbraw/zinc/71/83/81/1065718381.db2.gz RAJXDSZLCNVEPR-UHFFFAOYSA-N 1 1 453.077 4.786 20 0 JJADMO O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001438455992 1065721842 /nfs/dbraw/zinc/72/18/42/1065721842.db2.gz DSIAWUSJDCFRGB-URVUXULASA-N 1 1 452.904 4.741 20 0 JJADMO C/C(=C\C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1)c1ccccc1C(F)(F)F ZINC001360657822 1065726884 /nfs/dbraw/zinc/72/68/84/1065726884.db2.gz CZMNGTRLVKRFTQ-UQCBTIDJSA-N 1 1 459.512 4.914 20 0 JJADMO C/C(=C\C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1)c1ccccc1C(F)(F)F ZINC001360657823 1065727411 /nfs/dbraw/zinc/72/74/11/1065727411.db2.gz CZMNGTRLVKRFTQ-XBVMLYLOSA-N 1 1 459.512 4.914 20 0 JJADMO Cc1ccc(Oc2ccc(C(=O)Nc3ccc(C(=O)N(C)[C@@H]4CCC[N@@H+](C)C4)cc3)cc2)nc1 ZINC001360659390 1065728309 /nfs/dbraw/zinc/72/83/09/1065728309.db2.gz XSQSUPASUDLALF-HSZRJFAPSA-N 1 1 458.562 4.601 20 0 JJADMO COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001360678743 1065734137 /nfs/dbraw/zinc/73/41/37/1065734137.db2.gz UQICNNIXGZRYJS-VSGBNLITSA-N 1 1 458.602 4.613 20 0 JJADMO COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001360678743 1065734144 /nfs/dbraw/zinc/73/41/44/1065734144.db2.gz UQICNNIXGZRYJS-VSGBNLITSA-N 1 1 458.602 4.613 20 0 JJADMO C[C@@H](NC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360711683 1065743891 /nfs/dbraw/zinc/74/38/91/1065743891.db2.gz LPEHLCHRCSGPMB-GQIGUUNPSA-N 1 1 453.435 4.880 20 0 JJADMO C[C@@H](NC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360711683 1065743902 /nfs/dbraw/zinc/74/39/02/1065743902.db2.gz LPEHLCHRCSGPMB-GQIGUUNPSA-N 1 1 453.435 4.880 20 0 JJADMO C[C@H](NC(=O)c1cc2ccc(Br)cc2s1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360711941 1065744790 /nfs/dbraw/zinc/74/47/90/1065744790.db2.gz RCHHJAUNXUFOGR-HNAYVOBHSA-N 1 1 459.409 4.683 20 0 JJADMO C[C@H](NC(=O)c1cc2ccc(Br)cc2s1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360711941 1065744801 /nfs/dbraw/zinc/74/48/01/1065744801.db2.gz RCHHJAUNXUFOGR-HNAYVOBHSA-N 1 1 459.409 4.683 20 0 JJADMO CCc1ccc(Br)cc1C(=O)N1CC[C@]2(C1)C[N@H+](Cc1ccccc1)C[C@H](C)O2 ZINC001438863522 1065759447 /nfs/dbraw/zinc/75/94/47/1065759447.db2.gz PVQYKQXZXOGZJD-MHECFPHRSA-N 1 1 457.412 4.517 20 0 JJADMO CCc1ccc(Br)cc1C(=O)N1CC[C@]2(C1)C[N@@H+](Cc1ccccc1)C[C@H](C)O2 ZINC001438863522 1065759460 /nfs/dbraw/zinc/75/94/60/1065759460.db2.gz PVQYKQXZXOGZJD-MHECFPHRSA-N 1 1 457.412 4.517 20 0 JJADMO Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CC[C@]2(C1)C[N@H+](Cc1ccccc1)C[C@H](C)O2 ZINC001438860489 1065759492 /nfs/dbraw/zinc/75/94/92/1065759492.db2.gz KNWSORAQQGFSTJ-SXDGJLEOSA-N 1 1 450.623 4.778 20 0 JJADMO Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CC[C@]2(C1)C[N@@H+](Cc1ccccc1)C[C@H](C)O2 ZINC001438860489 1065759503 /nfs/dbraw/zinc/75/95/03/1065759503.db2.gz KNWSORAQQGFSTJ-SXDGJLEOSA-N 1 1 450.623 4.778 20 0 JJADMO Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CC[C@@]2(C1)C[N@H+](Cc1ccccc1)C[C@H](C)O2 ZINC001438860475 1065759919 /nfs/dbraw/zinc/75/99/19/1065759919.db2.gz KNWSORAQQGFSTJ-JWZKTCGFSA-N 1 1 450.623 4.778 20 0 JJADMO Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1ccccc1)C[C@H](C)O2 ZINC001438860475 1065759930 /nfs/dbraw/zinc/75/99/30/1065759930.db2.gz KNWSORAQQGFSTJ-JWZKTCGFSA-N 1 1 450.623 4.778 20 0 JJADMO C[C@@H]1C[C@H](N(C)C(=O)CC(C)(C)NC(=O)OCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001360735340 1065763334 /nfs/dbraw/zinc/76/33/34/1065763334.db2.gz PIGHPEOAMLKEOD-ZJSXRUAMSA-N 1 1 451.611 4.593 20 0 JJADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CCc2cccs2)n1CC[N@@H+]1CC=CCC1 ZINC001360738110 1065768007 /nfs/dbraw/zinc/76/80/07/1065768007.db2.gz KCHYYKYOJSFHNG-LJQANCHMSA-N 1 1 455.603 4.560 20 0 JJADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CC2CC(F)(F)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001360738555 1065769001 /nfs/dbraw/zinc/76/90/01/1065769001.db2.gz NQCGLZPRDKLMPP-SJORKVTESA-N 1 1 451.537 4.523 20 0 JJADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2cc(Cl)ccn2)n1CC[N@@H+]1CC=CCC1 ZINC001360738673 1065769289 /nfs/dbraw/zinc/76/92/89/1065769289.db2.gz RLUAGBVBJGOTFI-SFHVURJKSA-N 1 1 470.980 4.504 20 0 JJADMO CC(C)[C@@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC1CCCC1)[NH+]1CCOCC1 ZINC001360739115 1065770492 /nfs/dbraw/zinc/77/04/92/1065770492.db2.gz QKKLMSXEIGQRIJ-HYBUGGRVSA-N 1 1 473.637 4.540 20 0 JJADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2cscn2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001360739731 1065771355 /nfs/dbraw/zinc/77/13/55/1065771355.db2.gz VWVAGBQMOXVETE-DYESRHJHSA-N 1 1 472.634 4.771 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](c2ccco2)C1 ZINC001360743454 1065779337 /nfs/dbraw/zinc/77/93/37/1065779337.db2.gz FJHXEKDQSVXZAP-PMACEKPBSA-N 1 1 455.578 4.874 20 0 JJADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC=C(Br)C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001360745576 1065784897 /nfs/dbraw/zinc/78/48/97/1065784897.db2.gz MVXYYGCXLJSGEY-JKSUJKDBSA-N 1 1 478.410 4.529 20 0 JJADMO C[N@H+]1CCC[C@@H](CNC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)[C@H]1c1cccs1 ZINC001360746960 1065789118 /nfs/dbraw/zinc/78/91/18/1065789118.db2.gz INBUSPGQZNHFSH-XZNRUFCYSA-N 1 1 461.672 4.817 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001360747624 1065789838 /nfs/dbraw/zinc/78/98/38/1065789838.db2.gz LINCCAFYGICNQI-GGAORHGYSA-N 1 1 455.643 4.537 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)COc1ccc(Br)cc1Cl ZINC001360748364 1065789927 /nfs/dbraw/zinc/78/99/27/1065789927.db2.gz WVAZEVTYMYNRCQ-MRXNPFEDSA-N 1 1 451.792 4.604 20 0 JJADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCS[C@@H](C)[C@H]2C)n1CC[N@@H+](C)C1CCCC1 ZINC001360750852 1065796113 /nfs/dbraw/zinc/79/61/13/1065796113.db2.gz QUOVUYSRLLNEKZ-QYZOEREBSA-N 1 1 461.651 4.762 20 0 JJADMO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001439215515 1065799432 /nfs/dbraw/zinc/79/94/32/1065799432.db2.gz ANRUVXJPANYAME-ATPOPXNDSA-N 1 1 483.697 4.934 20 0 JJADMO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)C[C@H]2CCOC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360753668 1065800699 /nfs/dbraw/zinc/80/06/99/1065800699.db2.gz GUDBYHBLWTWZRK-WOJBJXKFSA-N 1 1 476.065 4.666 20 0 JJADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@]1(O)CCC[C@H]1C ZINC001360757642 1065819932 /nfs/dbraw/zinc/81/99/32/1065819932.db2.gz FLGZRBRISQYNBR-GOHWNWGWSA-N 1 1 490.092 4.933 20 0 JJADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@]1(O)CCC[C@@H]1C ZINC001360757640 1065820258 /nfs/dbraw/zinc/82/02/58/1065820258.db2.gz FLGZRBRISQYNBR-CUVVAGTFSA-N 1 1 490.092 4.933 20 0 JJADMO CC(C)N1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001360760049 1065830630 /nfs/dbraw/zinc/83/06/30/1065830630.db2.gz GQMPQMCPLOCXIW-OAQYLSRUSA-N 1 1 489.108 4.866 20 0 JJADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCS[C@@H](C)[C@@H]2C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001360762115 1065838050 /nfs/dbraw/zinc/83/80/50/1065838050.db2.gz ABBWHSKNHJZRGH-FHWLQOOXSA-N 1 1 494.105 4.513 20 0 JJADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCS[C@@H](C)[C@@H]2C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001360762115 1065838065 /nfs/dbraw/zinc/83/80/65/1065838065.db2.gz ABBWHSKNHJZRGH-FHWLQOOXSA-N 1 1 494.105 4.513 20 0 JJADMO CN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1)c1ccc(Br)cc1 ZINC001439543514 1065839745 /nfs/dbraw/zinc/83/97/45/1065839745.db2.gz HXWRRNMQRRODFP-WOJBJXKFSA-N 1 1 456.409 4.784 20 0 JJADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(Nc2ccn(C)n2)n1CC[N@@H+](C)C1CCCCC1 ZINC001360763184 1065842767 /nfs/dbraw/zinc/84/27/67/1065842767.db2.gz RPOUIEHDHDFTDW-KRWDZBQOSA-N 1 1 458.010 4.813 20 0 JJADMO CC(C)[N@@H+](C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1ccc(Br)o1 ZINC001360764595 1065845346 /nfs/dbraw/zinc/84/53/46/1065845346.db2.gz CKUYXVBCEJMFHA-MRXNPFEDSA-N 1 1 494.409 4.889 20 0 JJADMO C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccco2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360765417 1065850002 /nfs/dbraw/zinc/85/00/02/1065850002.db2.gz QOOGKPVNFYRCNR-LJQANCHMSA-N 1 1 455.578 4.909 20 0 JJADMO C[C@H](Oc1ccccc1F)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCCC(C)(C)C ZINC001360767010 1065855420 /nfs/dbraw/zinc/85/54/20/1065855420.db2.gz HSJIODYMKFWZTF-HBMCJLEFSA-N 1 1 475.653 4.929 20 0 JJADMO C[C@H](Oc1ccccc1F)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCCC(C)(C)C ZINC001360767010 1065855430 /nfs/dbraw/zinc/85/54/30/1065855430.db2.gz HSJIODYMKFWZTF-HBMCJLEFSA-N 1 1 475.653 4.929 20 0 JJADMO C[C@H](Oc1ccccc1F)c1nnc(N(C)CCOC(C)(C)C)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001360767951 1065858103 /nfs/dbraw/zinc/85/81/03/1065858103.db2.gz WCSUIHPWCLKIPR-RBUKOAKNSA-N 1 1 470.593 4.583 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CC(F)(F)CO2)CC1 ZINC001360769008 1065859258 /nfs/dbraw/zinc/85/92/58/1065859258.db2.gz BYNWGXSBGFLQAB-AZUAARDMSA-N 1 1 495.590 4.538 20 0 JJADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(Cl)=C(Cl)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001360769427 1065862059 /nfs/dbraw/zinc/86/20/59/1065862059.db2.gz IJFZLWJBZFLTMO-MRXNPFEDSA-N 1 1 498.430 4.567 20 0 JJADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(Cl)=C(Cl)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001360769427 1065862064 /nfs/dbraw/zinc/86/20/64/1065862064.db2.gz IJFZLWJBZFLTMO-MRXNPFEDSA-N 1 1 498.430 4.567 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(O)CCCCCC2)CC1 ZINC001360773187 1065871100 /nfs/dbraw/zinc/87/11/00/1065871100.db2.gz HHKHPIWMCKDGTP-OAQYLSRUSA-N 1 1 473.637 4.563 20 0 JJADMO C[C@H]1[C@H](C(=O)N[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001439758849 1065871644 /nfs/dbraw/zinc/87/16/44/1065871644.db2.gz VRVXSBSPHOPYTP-CVRJGYJLSA-N 1 1 477.649 4.806 20 0 JJADMO C[C@H](Oc1ccccc1F)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CCOC(C)(C)C ZINC001360773510 1065871604 /nfs/dbraw/zinc/87/16/04/1065871604.db2.gz JFPXRVVPDWQBHW-IBGZPJMESA-N 1 1 487.645 4.756 20 0 JJADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001360774479 1065873274 /nfs/dbraw/zinc/87/32/74/1065873274.db2.gz NJXGVQUMAKFLSE-OKZBNKHCSA-N 1 1 469.527 4.820 20 0 JJADMO COc1cc(Br)cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC001439817749 1065881464 /nfs/dbraw/zinc/88/14/64/1065881464.db2.gz GHWHFHWIQXPYES-BJKOFHAPSA-N 1 1 465.391 4.856 20 0 JJADMO Cc1ccc(C(=O)N[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C(C)C)cc1 ZINC001439818892 1065881519 /nfs/dbraw/zinc/88/15/19/1065881519.db2.gz LFKLNNCZSTUZST-IARZGTGTSA-N 1 1 469.629 4.534 20 0 JJADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCSC[C@@H]2C)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001360777707 1065881966 /nfs/dbraw/zinc/88/19/66/1065881966.db2.gz DKFQRBAJNFIDJV-UFYCRDLUSA-N 1 1 461.651 4.763 20 0 JJADMO O=C(COc1ccccc1C(F)(F)F)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001439820099 1065882134 /nfs/dbraw/zinc/88/21/34/1065882134.db2.gz SJFKRQVUUFCXCY-JTHBVZDNSA-N 1 1 454.492 4.869 20 0 JJADMO COc1cc(Br)ccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001439822020 1065882231 /nfs/dbraw/zinc/88/22/31/1065882231.db2.gz WCWSRJPRGAWDCA-XZOQPEGZSA-N 1 1 465.391 4.856 20 0 JJADMO CC(C)(C)OC(=O)N(CCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C1CC1 ZINC001439824431 1065882845 /nfs/dbraw/zinc/88/28/45/1065882845.db2.gz WZZYVSSMILGGFW-LOSJGSFVSA-N 1 1 463.622 4.560 20 0 JJADMO CC[C@H](C)c1nc(C)c(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c(C)n1 ZINC001439824523 1065882867 /nfs/dbraw/zinc/88/28/67/1065882867.db2.gz YOYGUDDKXRNWHA-SQMFLSJESA-N 1 1 456.634 4.934 20 0 JJADMO CC(C)(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CCCC(C)(C)C2)CCO1 ZINC001360808492 1065921497 /nfs/dbraw/zinc/92/14/97/1065921497.db2.gz NHYGYVZETZGVGO-NRFANRHFSA-N 1 1 460.066 4.972 20 0 JJADMO COc1cc(CCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)cc(OC)c1 ZINC001440186664 1065922539 /nfs/dbraw/zinc/92/25/39/1065922539.db2.gz SVYYOMHMRCTIBZ-RRPNLBNLSA-N 1 1 479.020 4.932 20 0 JJADMO CC1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001360812929 1065925704 /nfs/dbraw/zinc/92/57/04/1065925704.db2.gz ZHHXTKVMIXMLFG-FQEVSTJZSA-N 1 1 478.106 4.840 20 0 JJADMO Cc1cccc(CC(=O)N[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c1Br ZINC001440296214 1065928399 /nfs/dbraw/zinc/92/83/99/1065928399.db2.gz LRPMAMUTEJYQGZ-FQEVSTJZSA-N 1 1 455.318 4.623 20 0 JJADMO Cc1cccc(CC(=O)N[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c1Br ZINC001440296214 1065928407 /nfs/dbraw/zinc/92/84/07/1065928407.db2.gz LRPMAMUTEJYQGZ-FQEVSTJZSA-N 1 1 455.318 4.623 20 0 JJADMO C[NH+](C)[C@H](CNC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl)c1ccccc1Cl ZINC001440374833 1065933960 /nfs/dbraw/zinc/93/39/60/1065933960.db2.gz MUDOGNATKRCLFG-LJQANCHMSA-N 1 1 451.398 4.946 20 0 JJADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCSC2(C)C)CC1 ZINC001360832725 1065944341 /nfs/dbraw/zinc/94/43/41/1065944341.db2.gz OJOQXEUDWHMZGB-GOSISDBHSA-N 1 1 463.095 4.836 20 0 JJADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(C)CCOCC2)CC1 ZINC001360835228 1065946828 /nfs/dbraw/zinc/94/68/28/1065946828.db2.gz OXIQWLPNGYFKND-UHFFFAOYSA-N 1 1 477.600 4.674 20 0 JJADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC001440678247 1065963655 /nfs/dbraw/zinc/96/36/55/1065963655.db2.gz VSSRJMDYKILKAL-FCHUYYIVSA-N 1 1 451.394 4.587 20 0 JJADMO CN(C)[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1)c1cccc(F)c1 ZINC001440677937 1065963733 /nfs/dbraw/zinc/96/37/33/1065963733.db2.gz VOOZFNZQGUXKMT-WXFUMESZSA-N 1 1 451.611 4.522 20 0 JJADMO CN(C)[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1)c1cccc(F)c1 ZINC001440677937 1065963739 /nfs/dbraw/zinc/96/37/39/1065963739.db2.gz VOOZFNZQGUXKMT-WXFUMESZSA-N 1 1 451.611 4.522 20 0 JJADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC001440678254 1065963785 /nfs/dbraw/zinc/96/37/85/1065963785.db2.gz VSSRJMDYKILKAL-VXKWHMMOSA-N 1 1 451.394 4.587 20 0 JJADMO CC1=C(Br)CN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001360851262 1065963730 /nfs/dbraw/zinc/96/37/30/1065963730.db2.gz FVJAWQJESIYYNL-OAHLLOKOSA-N 1 1 464.839 4.960 20 0 JJADMO CC1=C(Br)CN(c2nnc(-c3ccccn3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001360852000 1065966598 /nfs/dbraw/zinc/96/65/98/1065966598.db2.gz VAHAGXVQTPQUDQ-KDURUIRLSA-N 1 1 487.490 4.977 20 0 JJADMO CC1=C(Br)CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+](C)C(C)C)CC1 ZINC001360852025 1065966826 /nfs/dbraw/zinc/96/68/26/1065966826.db2.gz VPUGLQMSHQQWFP-UHFFFAOYSA-N 1 1 470.818 4.957 20 0 JJADMO Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001440709490 1065969096 /nfs/dbraw/zinc/96/90/96/1065969096.db2.gz XCBGDVUYFLJYCJ-LJQANCHMSA-N 1 1 455.484 4.552 20 0 JJADMO CCc1c(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)nnn1-c1cccc(Cl)c1 ZINC001440733593 1065971982 /nfs/dbraw/zinc/97/19/82/1065971982.db2.gz LPNBFQABOZXGAN-OAQYLSRUSA-N 1 1 458.393 4.703 20 0 JJADMO CCc1c(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)nnn1-c1cccc(Cl)c1 ZINC001440733588 1065972230 /nfs/dbraw/zinc/97/22/30/1065972230.db2.gz LPNBFQABOZXGAN-NRFANRHFSA-N 1 1 458.393 4.703 20 0 JJADMO Cc1ccccc1Cc1nnc(N2CCC(C)=C(Br)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001360854475 1065973846 /nfs/dbraw/zinc/97/38/46/1065973846.db2.gz WUNVMICMCNTHHL-IBGZPJMESA-N 1 1 458.448 4.541 20 0 JJADMO CC1=C(Br)CN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001360857549 1065975302 /nfs/dbraw/zinc/97/53/02/1065975302.db2.gz DDDIZXFNILCOOG-UHFFFAOYSA-N 1 1 492.849 4.651 20 0 JJADMO CCC(CC)[C@@H](CNC(=O)[C@H](C)Sc1ccnc2cc(Cl)ccc21)[NH+]1CCOCC1 ZINC001440796226 1065980066 /nfs/dbraw/zinc/98/00/66/1065980066.db2.gz INHWNXUVJJVLOA-HRAATJIYSA-N 1 1 450.048 4.622 20 0 JJADMO Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@H]2[N@@H+](C)CCCC2(C)C)c1C ZINC001360864652 1065982741 /nfs/dbraw/zinc/98/27/41/1065982741.db2.gz DZXNFAFFLAITQH-JOCHJYFZSA-N 1 1 468.690 4.679 20 0 JJADMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(NC(=O)NC(C)(C)C)ccc3Cl)CC2)cc1 ZINC001440862854 1065984192 /nfs/dbraw/zinc/98/41/92/1065984192.db2.gz GAHMYQHWFCHQLQ-UHFFFAOYSA-N 1 1 457.018 4.917 20 0 JJADMO CC[C@]1(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CCCN1C(=O)OC(C)(C)C ZINC001440863680 1065984647 /nfs/dbraw/zinc/98/46/47/1065984647.db2.gz KBLWBEIXTMLFEA-XMMPIXPASA-N 1 1 450.023 4.554 20 0 JJADMO CC[C@]1(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CCCN1C(=O)OC(C)(C)C ZINC001440863680 1065984664 /nfs/dbraw/zinc/98/46/64/1065984664.db2.gz KBLWBEIXTMLFEA-XMMPIXPASA-N 1 1 450.023 4.554 20 0 JJADMO CC[C@@]1(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CCCN1C(=O)OC(C)(C)C ZINC001440863679 1065984934 /nfs/dbraw/zinc/98/49/34/1065984934.db2.gz KBLWBEIXTMLFEA-DEOSSOPVSA-N 1 1 450.023 4.554 20 0 JJADMO CC[C@@]1(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CCCN1C(=O)OC(C)(C)C ZINC001440863679 1065984940 /nfs/dbraw/zinc/98/49/40/1065984940.db2.gz KBLWBEIXTMLFEA-DEOSSOPVSA-N 1 1 450.023 4.554 20 0 JJADMO CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC001440869536 1065986389 /nfs/dbraw/zinc/98/63/89/1065986389.db2.gz CRPKNKQWODROPU-UHFFFAOYSA-N 1 1 456.030 4.806 20 0 JJADMO CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC001440869536 1065986395 /nfs/dbraw/zinc/98/63/95/1065986395.db2.gz CRPKNKQWODROPU-UHFFFAOYSA-N 1 1 456.030 4.806 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H]1CCSC1 ZINC001360866123 1065987483 /nfs/dbraw/zinc/98/74/83/1065987483.db2.gz NDQVXQGLKWMGLA-IRLDBZIGSA-N 1 1 468.671 4.962 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccoc3)n2CC[N@H+]2CCC[C@@H](C)C2)c1C ZINC001360868329 1065991566 /nfs/dbraw/zinc/99/15/66/1065991566.db2.gz BFWQRGVXFFYIPN-KNQAVFIVSA-N 1 1 451.615 4.996 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3cnn(C)c3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)c1C ZINC001360868366 1065991598 /nfs/dbraw/zinc/99/15/98/1065991598.db2.gz CJOBCKPUCIRJEL-BJKOFHAPSA-N 1 1 493.700 4.773 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccon3)n2C[C@H]2CCC[N@H+](C(C)C)C2)c1C ZINC001360869269 1065997153 /nfs/dbraw/zinc/99/71/53/1065997153.db2.gz NMLKJZVSJDXSHQ-VXKWHMMOSA-N 1 1 466.630 4.780 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccon3)n2CCC[N@H+]2CCCC[C@@H]2C)c1C ZINC001360869891 1066000426 /nfs/dbraw/zinc/00/04/26/1066000426.db2.gz RQGPWQPQPULWLN-UNMCSNQZSA-N 1 1 466.630 4.924 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC[N@@H+](C)C2CCCC2)c1C ZINC001360870287 1066002149 /nfs/dbraw/zinc/00/21/49/1066002149.db2.gz ODDBRMWNXJKUNQ-RBBKRZOGSA-N 1 1 469.674 4.913 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)C[C@@H]3CCCCO3)n2CC[N@@H+](C)C2CCCC2)c1C ZINC001360870565 1066002837 /nfs/dbraw/zinc/00/28/37/1066002837.db2.gz YFEASOLOVHTYQK-UPVQGACJSA-N 1 1 469.674 4.915 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H]3CCCCO3)n2CC[N@@H+](C)C2CCCC2)c1C ZINC001360870563 1066002923 /nfs/dbraw/zinc/00/29/23/1066002923.db2.gz YFEASOLOVHTYQK-ISKFKSNPSA-N 1 1 469.674 4.915 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@H](C(C)C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)c1C ZINC001360872874 1066007186 /nfs/dbraw/zinc/00/71/86/1066007186.db2.gz AMNKUGAUTHIRDU-DQEYMECFSA-N 1 1 496.744 4.933 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCC(CCCO)CC3)n2CC[N@H+]2CCC[C@H]2C)c1C ZINC001360873748 1066010338 /nfs/dbraw/zinc/01/03/38/1066010338.db2.gz KKEVLCDAHJYRAB-FYYLOGMGSA-N 1 1 469.674 4.508 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CCC[NH+]2CCOCC2)c1C ZINC001360875027 1066016100 /nfs/dbraw/zinc/01/61/00/1066016100.db2.gz WPJVCJAEEJWOCF-GGAORHGYSA-N 1 1 469.674 4.630 20 0 JJADMO CC[C@@H](CNC(=O)c1c(C)nn(Cc2ccc(Cl)cc2)c1C)[N@H+]1CCc2ccccc2C1 ZINC001441238018 1066018159 /nfs/dbraw/zinc/01/81/59/1066018159.db2.gz JGGIFQGQRKLSBU-DEOSSOPVSA-N 1 1 451.014 4.768 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCCCCC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1C ZINC001360875784 1066019576 /nfs/dbraw/zinc/01/95/76/1066019576.db2.gz YWOGDSNSHGGAHB-RPWUZVMVSA-N 1 1 469.674 4.772 20 0 JJADMO O=C(CCc1nc2cc(Br)ccc2s1)NCCC[N@H+]1CCc2ccccc2C1 ZINC001441300138 1066023813 /nfs/dbraw/zinc/02/38/13/1066023813.db2.gz RSLLHDLZIVLGEC-UHFFFAOYSA-N 1 1 458.425 4.556 20 0 JJADMO CCN1CC[NH+](Cc2ccc(NC(=O)c3cc(Cl)cc(F)c3Br)cc2)CC1 ZINC001441311520 1066025057 /nfs/dbraw/zinc/02/50/57/1066025057.db2.gz MQGPKUYRZJCQBT-UHFFFAOYSA-N 1 1 454.771 4.631 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+]([C@@H](C)c4ccsc4)CC3)n2CC(C)(C)O)c1C ZINC001360878489 1066025874 /nfs/dbraw/zinc/02/58/74/1066025874.db2.gz VSXXTVOKBLARQP-LEWJYISDSA-N 1 1 483.682 4.751 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CC[N@H+]4CCCC[C@@H]4C3)n2CCOCCC(C)C)c1C ZINC001360878673 1066026460 /nfs/dbraw/zinc/02/64/60/1066026460.db2.gz YDOYJTLMOGGMSU-BJKOFHAPSA-N 1 1 469.674 4.772 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CC[N@H+]4CCCC[C@@H]4C3)n2CCOCCC(C)C)c1C ZINC001360878674 1066026995 /nfs/dbraw/zinc/02/69/95/1066026995.db2.gz YDOYJTLMOGGMSU-DNQXCXABSA-N 1 1 469.674 4.772 20 0 JJADMO Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001441336199 1066029841 /nfs/dbraw/zinc/02/98/41/1066029841.db2.gz AQDQMTDHVPSDNH-HNAYVOBHSA-N 1 1 455.908 4.940 20 0 JJADMO Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001441336200 1066029864 /nfs/dbraw/zinc/02/98/64/1066029864.db2.gz AQDQMTDHVPSDNH-KXBFYZLASA-N 1 1 455.908 4.940 20 0 JJADMO C[C@@H](CNC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC001441351819 1066031957 /nfs/dbraw/zinc/03/19/57/1066031957.db2.gz PLXWVCXXAAGPQL-GOTSBHOMSA-N 1 1 450.623 4.550 20 0 JJADMO C[C@@H](CNC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC001441351825 1066032159 /nfs/dbraw/zinc/03/21/59/1066032159.db2.gz PLXWVCXXAAGPQL-PKTZIBPZSA-N 1 1 450.623 4.550 20 0 JJADMO Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)O2 ZINC001441358292 1066033510 /nfs/dbraw/zinc/03/35/10/1066033510.db2.gz SQSODEUGEDRLRU-XDBZFTIUSA-N 1 1 450.623 4.949 20 0 JJADMO CCN1CC[NH+](Cc2ccc(CNC(=O)c3cnc(-c4cccc(Cl)c4)s3)cc2)CC1 ZINC001441362645 1066034713 /nfs/dbraw/zinc/03/47/13/1066034713.db2.gz BWBIGSVSZCOVRG-UHFFFAOYSA-N 1 1 455.027 4.531 20 0 JJADMO CC1=C(C)CN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC001360883265 1066037054 /nfs/dbraw/zinc/03/70/54/1066037054.db2.gz NJAVVGWDFJPHEE-NDEPHWFRSA-N 1 1 481.685 4.754 20 0 JJADMO CC(C)NC(=O)Nc1ccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)cc1 ZINC001441406130 1066038407 /nfs/dbraw/zinc/03/84/07/1066038407.db2.gz KVQNDEAAKMJVCZ-IZZNHLLZSA-N 1 1 462.638 4.771 20 0 JJADMO CC1=C(C)CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001360885173 1066039925 /nfs/dbraw/zinc/03/99/25/1066039925.db2.gz WAVMSFHTMYJLAX-UHFFFAOYSA-N 1 1 451.659 4.900 20 0 JJADMO CC1=C(C)CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001360888096 1066041647 /nfs/dbraw/zinc/04/16/47/1066041647.db2.gz OVDSWNQLTQIWQY-JOCHJYFZSA-N 1 1 486.705 4.814 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCC(C)=C(C)C3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC001360891719 1066043011 /nfs/dbraw/zinc/04/30/11/1066043011.db2.gz CZMWKAYGCFZWIP-HSZRJFAPSA-N 1 1 468.049 4.643 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@H]2N(C(=O)OC(C)(C)C)CCC2(C)C)C1 ZINC001441467943 1066043926 /nfs/dbraw/zinc/04/39/26/1066043926.db2.gz UCNVYOWWCGVTRB-ZRCGQRJVSA-N 1 1 457.659 4.816 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)CCCNC(=O)c3ccc(Cl)cc3)cc2)C1 ZINC001441472530 1066044562 /nfs/dbraw/zinc/04/45/62/1066044562.db2.gz YJLJETOBTQZVII-BGYRXZFFSA-N 1 1 456.030 4.644 20 0 JJADMO CCn1cc(Br)cc1C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001441476851 1066044882 /nfs/dbraw/zinc/04/48/82/1066044882.db2.gz VEWHQUAIWIEUNA-HXUWFJFHSA-N 1 1 458.425 4.861 20 0 JJADMO CCn1cc(Br)cc1C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001441476851 1066044893 /nfs/dbraw/zinc/04/48/93/1066044893.db2.gz VEWHQUAIWIEUNA-HXUWFJFHSA-N 1 1 458.425 4.861 20 0 JJADMO Cc1nc([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CCCn3cc[nH+]c3C)C2)sc1C ZINC001360895687 1066048578 /nfs/dbraw/zinc/04/85/78/1066048578.db2.gz JJMUALZSPXIUGH-HXUWFJFHSA-N 1 1 455.676 4.919 20 0 JJADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)cc1 ZINC001441561632 1066051233 /nfs/dbraw/zinc/05/12/33/1066051233.db2.gz OJFUUUMZAAENAZ-AFDYPQSWSA-N 1 1 454.574 4.866 20 0 JJADMO CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC001441560709 1066051327 /nfs/dbraw/zinc/05/13/27/1066051327.db2.gz NLIFYHWDMKEDBH-DVECYGJZSA-N 1 1 454.590 4.663 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](F)[C@@H](c3ccccc3)C2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001545942940 1066052479 /nfs/dbraw/zinc/05/24/79/1066052479.db2.gz MROBPVSQWAQKLO-NQHRYMMQSA-N 1 1 498.691 4.506 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](F)[C@@H](c3ccccc3)C2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001545942939 1066052588 /nfs/dbraw/zinc/05/25/88/1066052588.db2.gz MROBPVSQWAQKLO-FTBPSBKWSA-N 1 1 498.691 4.506 20 0 JJADMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1cc(-c2cccc(C(F)(F)F)c2)ccn1 ZINC001441688670 1066061685 /nfs/dbraw/zinc/06/16/85/1066061685.db2.gz OKEBVFBOZVFCTF-UHFFFAOYSA-N 1 1 455.480 4.530 20 0 JJADMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC001441809604 1066071235 /nfs/dbraw/zinc/07/12/35/1066071235.db2.gz HYUJJPOIXUJLNV-MSOLQXFVSA-N 1 1 454.439 4.748 20 0 JJADMO Cc1ncsc1CN(C)c1nnc(-c2cc(F)ccc2Br)n1CC[N@@H+]1CC=CCC1 ZINC001360932138 1066089289 /nfs/dbraw/zinc/08/92/89/1066089289.db2.gz GZJZSWZJCLQCLC-UHFFFAOYSA-N 1 1 491.434 4.510 20 0 JJADMO C[NH+](C)Cc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)c(Cl)c2)o1 ZINC001442238317 1066106557 /nfs/dbraw/zinc/10/65/57/1066106557.db2.gz YYVUABRRQREESM-UHFFFAOYSA-N 1 1 452.986 4.569 20 0 JJADMO O=C(CSCc1ccc(F)cc1)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001360951766 1066108481 /nfs/dbraw/zinc/10/84/81/1066108481.db2.gz IVUPNIVWWHDPMO-HXUWFJFHSA-N 1 1 454.533 4.972 20 0 JJADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)C1 ZINC001442264357 1066110058 /nfs/dbraw/zinc/11/00/58/1066110058.db2.gz MOPHDNDEEOBCCE-HBUYNFGHSA-N 1 1 451.611 4.840 20 0 JJADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)C1 ZINC001442264367 1066110164 /nfs/dbraw/zinc/11/01/64/1066110164.db2.gz MOPHDNDEEOBCCE-TYJFDUFHSA-N 1 1 451.611 4.840 20 0 JJADMO O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)c1cc(-c2cccc(Cl)c2)on1 ZINC001442294367 1066112366 /nfs/dbraw/zinc/11/23/66/1066112366.db2.gz GQYSMEKURAUAPH-UHFFFAOYSA-N 1 1 459.377 4.591 20 0 JJADMO C[C@@H](Sc1ccccc1Cl)C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC001442297902 1066113019 /nfs/dbraw/zinc/11/30/19/1066113019.db2.gz SDEQTKOLJGGQEP-QGZVFWFLSA-N 1 1 452.451 4.803 20 0 JJADMO Cc1ccsc1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001360958229 1066115156 /nfs/dbraw/zinc/11/51/56/1066115156.db2.gz HVNQTTJXOOKIKR-UHFFFAOYSA-N 1 1 461.582 4.885 20 0 JJADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 ZINC001360961447 1066121272 /nfs/dbraw/zinc/12/12/72/1066121272.db2.gz KAXAFAHCFLZJBR-XMMPIXPASA-N 1 1 455.602 4.947 20 0 JJADMO C[C@@H](NC(=O)c1cccn1-c1c(Cl)cccc1Cl)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360964403 1066123446 /nfs/dbraw/zinc/12/34/46/1066123446.db2.gz PVYHONZGKIUACI-VGSWGCGISA-N 1 1 458.389 4.803 20 0 JJADMO C[C@@H](NC(=O)c1cccn1-c1c(Cl)cccc1Cl)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360964403 1066123454 /nfs/dbraw/zinc/12/34/54/1066123454.db2.gz PVYHONZGKIUACI-VGSWGCGISA-N 1 1 458.389 4.803 20 0 JJADMO C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001442413453 1066126319 /nfs/dbraw/zinc/12/63/19/1066126319.db2.gz NOCCCAIQMSJABN-LJQANCHMSA-N 1 1 457.640 4.827 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H](CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001442467655 1066128360 /nfs/dbraw/zinc/12/83/60/1066128360.db2.gz MLASLEZDCAHPRX-VWNXMTODSA-N 1 1 451.611 4.671 20 0 JJADMO Cc1ccoc1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001360977441 1066134783 /nfs/dbraw/zinc/13/47/83/1066134783.db2.gz QNJCNKQDNHKKPI-UHFFFAOYSA-N 1 1 455.578 4.503 20 0 JJADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001360985609 1066148493 /nfs/dbraw/zinc/14/84/93/1066148493.db2.gz GVFWZUWJRHYVGY-FQEVSTJZSA-N 1 1 466.674 4.749 20 0 JJADMO Cc1[nH+]ccn1CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@@H]1CCCCO1 ZINC001360986460 1066152010 /nfs/dbraw/zinc/15/20/10/1066152010.db2.gz DIVULVRGYHJQBT-KNQAVFIVSA-N 1 1 487.048 4.899 20 0 JJADMO Cc1[nH+]ccn1CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@@H]1CCCCO1 ZINC001360986462 1066152032 /nfs/dbraw/zinc/15/20/32/1066152032.db2.gz DIVULVRGYHJQBT-UGKGYDQZSA-N 1 1 487.048 4.899 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@@H]1CCOC1 ZINC001360986414 1066152194 /nfs/dbraw/zinc/15/21/94/1066152194.db2.gz CNNJSGINCZZMNY-GHTZIAJQSA-N 1 1 473.021 4.509 20 0 JJADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC2CCCC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001360986759 1066154579 /nfs/dbraw/zinc/15/45/79/1066154579.db2.gz LGMXRSVJFCPGSB-UHFFFAOYSA-N 1 1 480.701 4.967 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H]2CCSC2)n1CC[N@H+](C)C(C)C ZINC001360986859 1066155661 /nfs/dbraw/zinc/15/56/61/1066155661.db2.gz NUBMVCMXMGMMTQ-UYAOXDASSA-N 1 1 466.095 4.970 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@H]2CCSC2)n1CC[N@H+](C)C(C)C ZINC001360986857 1066155677 /nfs/dbraw/zinc/15/56/77/1066155677.db2.gz NUBMVCMXMGMMTQ-ICSRJNTNSA-N 1 1 466.095 4.970 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCCC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001360989456 1066161372 /nfs/dbraw/zinc/16/13/72/1066161372.db2.gz FMUNLKNJWVGKMD-UNMCSNQZSA-N 1 1 476.065 4.525 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CC(C)C ZINC001360989479 1066161451 /nfs/dbraw/zinc/16/14/51/1066161451.db2.gz FUNHTHXQZOBKSN-LEWJYISDSA-N 1 1 476.065 4.503 20 0 JJADMO Cc1[nH+]ccn1CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCOC(C)(C)[C@H]1C ZINC001360992695 1066172331 /nfs/dbraw/zinc/17/23/31/1066172331.db2.gz RFYKNPPVCHOKRS-RBUKOAKNSA-N 1 1 487.048 4.897 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCSC[C@H]2C)n1CC[N@H+](C)C(C)C ZINC001360992905 1066172634 /nfs/dbraw/zinc/17/26/34/1066172634.db2.gz VYNNYVAOGVQITH-RTBURBONSA-N 1 1 466.095 4.970 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(Nc2cnn(C)c2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001360993078 1066172855 /nfs/dbraw/zinc/17/28/55/1066172855.db2.gz XXVUASYXFXBFFG-VQIMIIECSA-N 1 1 472.037 4.897 20 0 JJADMO Cc1cc(C)c(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)c(C)c1 ZINC001361012456 1066197401 /nfs/dbraw/zinc/19/74/01/1066197401.db2.gz YPTFZNZMVCIWRF-HSZRJFAPSA-N 1 1 482.717 4.944 20 0 JJADMO Cc1cc(C)c(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)c(C)c1 ZINC001361015071 1066202823 /nfs/dbraw/zinc/20/28/23/1066202823.db2.gz YPOZRYLAOPYOSG-DEOSSOPVSA-N 1 1 480.701 4.599 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N(C)Cc3cc(Cl)ccn3)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001361020814 1066211818 /nfs/dbraw/zinc/21/18/18/1066211818.db2.gz IUURWEHVLUFSCY-FQEVSTJZSA-N 1 1 469.033 4.643 20 0 JJADMO Cc1ccc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2CCC[N@H+]2CCCO[C@@H](C)C2)s1 ZINC001361021115 1066213156 /nfs/dbraw/zinc/21/31/56/1066213156.db2.gz QQLBKSHWJAAIKY-QFIPXVFZSA-N 1 1 497.709 4.981 20 0 JJADMO Cc1cc(N2CCC(NC(=O)[C@H](Oc3ccc(Cl)cc3)c3ccccc3)CC2)nc(C)[nH+]1 ZINC001361022730 1066219457 /nfs/dbraw/zinc/21/94/57/1066219457.db2.gz AEBLHRGZNLTJEE-XMMPIXPASA-N 1 1 450.970 4.652 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC(F)(F)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001361027251 1066229066 /nfs/dbraw/zinc/22/90/66/1066229066.db2.gz MYTCFHFGHAJCAA-SFHVURJKSA-N 1 1 461.601 4.830 20 0 JJADMO CCc1c(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cnn1-c1ccccc1Cl ZINC001442842601 1066230848 /nfs/dbraw/zinc/23/08/48/1066230848.db2.gz OMGVNLDEENVMCU-UHFFFAOYSA-N 1 1 451.014 4.869 20 0 JJADMO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)/C=C\c3csc(C(F)(F)F)c3)C2)ccn1 ZINC001454006744 1066232694 /nfs/dbraw/zinc/23/26/94/1066232694.db2.gz BTBQLUJBONUYAO-PHWHVTFISA-N 1 1 453.530 4.695 20 0 JJADMO CCCN(C(=O)C1CCN(Cc2csc(C)n2)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001442886470 1066237161 /nfs/dbraw/zinc/23/71/61/1066237161.db2.gz YAPUVSCPBKOBDD-VWLOTQADSA-N 1 1 454.684 4.567 20 0 JJADMO CC[C@@]1(C)CC[C@@H](Cn2c(CCCc3ccccc3)nnc2N2CCC[N@H+](C(C)C)CC2)O1 ZINC001546057619 1066243345 /nfs/dbraw/zinc/24/33/45/1066243345.db2.gz VJTGTGVIGIPOMY-IGKIAQTJSA-N 1 1 453.675 4.722 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001454116385 1066246770 /nfs/dbraw/zinc/24/67/70/1066246770.db2.gz FUWOAYKMPILSGL-GOTSBHOMSA-N 1 1 455.643 4.585 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@](C)(O)C2CCCCC2)c1 ZINC001361035209 1066253140 /nfs/dbraw/zinc/25/31/40/1066253140.db2.gz SCWISQAEMASFMX-NDEPHWFRSA-N 1 1 483.701 4.726 20 0 JJADMO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NCC2(c3ccc(C(C)(C)C)cc3)CCC2)CC1 ZINC001443033241 1066256971 /nfs/dbraw/zinc/25/69/71/1066256971.db2.gz XBESSLGAWVIHQQ-UHFFFAOYSA-N 1 1 457.659 4.511 20 0 JJADMO Cc1cc(C)c2c(c1)N(C(=O)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C)CCC2 ZINC001443167760 1066276841 /nfs/dbraw/zinc/27/68/41/1066276841.db2.gz SIAAEPLDRGZVLD-HSZRJFAPSA-N 1 1 451.611 4.608 20 0 JJADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC001454396561 1066277298 /nfs/dbraw/zinc/27/72/98/1066277298.db2.gz BSUDSPQPZUDIIJ-VGOFRKELSA-N 1 1 457.496 4.816 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001361048660 1066277771 /nfs/dbraw/zinc/27/77/71/1066277771.db2.gz ZVIHBXYUNFBZSY-AGILITTLSA-N 1 1 457.659 4.877 20 0 JJADMO CC[C@]1(C)CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC001546061541 1066281625 /nfs/dbraw/zinc/28/16/25/1066281625.db2.gz BQQDBUQIVOPIST-VCWGXOKSSA-N 1 1 475.703 4.773 20 0 JJADMO CC[C@]1(C)CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC001546061540 1066281735 /nfs/dbraw/zinc/28/17/35/1066281735.db2.gz BQQDBUQIVOPIST-SEINPYIVSA-N 1 1 475.703 4.773 20 0 JJADMO COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)N1CC[NH2+][C@H](c2ccccc2C)C1 ZINC001454463179 1066285653 /nfs/dbraw/zinc/28/56/53/1066285653.db2.gz QOSYZSPEGGHDIW-FQEVSTJZSA-N 1 1 459.974 4.791 20 0 JJADMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ncccc2-c2ccccn2)CC1 ZINC001443264474 1066286307 /nfs/dbraw/zinc/28/63/07/1066286307.db2.gz JRAPVHLVXNGYAH-UHFFFAOYSA-N 1 1 454.496 4.899 20 0 JJADMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)CC1 ZINC001454491371 1066292079 /nfs/dbraw/zinc/29/20/79/1066292079.db2.gz DUCQLPJBRYVNFT-FQEVSTJZSA-N 1 1 454.640 4.718 20 0 JJADMO Cc1cc(CN(C)c2nnc(-c3sc(-c4ccccc4)nc3C)n2CC[N@H+](C)C(C)C)no1 ZINC001361055050 1066292652 /nfs/dbraw/zinc/29/26/52/1066292652.db2.gz PQNFNCTUTXQUFJ-UHFFFAOYSA-N 1 1 465.627 4.650 20 0 JJADMO Cc1cccc(CN(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001361060154 1066299670 /nfs/dbraw/zinc/29/96/70/1066299670.db2.gz KQPQNCTZJNGSBI-UPVQGACJSA-N 1 1 496.700 4.822 20 0 JJADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)c3ccc(SC(F)(F)F)o3)CC2)c1C ZINC001443403106 1066306044 /nfs/dbraw/zinc/30/60/44/1066306044.db2.gz ANGRGWRJQGSAKK-UHFFFAOYSA-N 1 1 457.518 4.649 20 0 JJADMO CC[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545958366 1066308914 /nfs/dbraw/zinc/30/89/14/1066308914.db2.gz BMOWFBZHMNXWRH-WMQCIHAUSA-N 1 1 489.064 4.575 20 0 JJADMO Cc1cc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC[N@H+](C(C)C)CC2)cs1 ZINC001361070932 1066310973 /nfs/dbraw/zinc/31/09/73/1066310973.db2.gz YUKJJRKCMMCTKH-IBGZPJMESA-N 1 1 457.619 4.896 20 0 JJADMO CC(C)(C)OC(=O)N[C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC001454656535 1066316255 /nfs/dbraw/zinc/31/62/55/1066316255.db2.gz OUJDLTHMAWJISL-LEWJYISDSA-N 1 1 450.023 4.600 20 0 JJADMO CC(C)(C)OC(=O)N[C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC001454656535 1066316274 /nfs/dbraw/zinc/31/62/74/1066316274.db2.gz OUJDLTHMAWJISL-LEWJYISDSA-N 1 1 450.023 4.600 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CC[N@@H+]1CC=CCC1 ZINC001361087788 1066328070 /nfs/dbraw/zinc/32/80/70/1066328070.db2.gz CHQPOJBKYJOARP-OYRHEFFESA-N 1 1 490.117 4.844 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCSC[C@@H]2C)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001361090130 1066337777 /nfs/dbraw/zinc/33/77/77/1066337777.db2.gz ATBMAGMOHPPXDQ-CTNGQTDRSA-N 1 1 492.133 4.925 20 0 JJADMO O=C(NCc1ccc(Br)cn1)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001454893681 1066339662 /nfs/dbraw/zinc/33/96/62/1066339662.db2.gz NPWFKRSNOUKECM-JOCHJYFZSA-N 1 1 456.359 4.501 20 0 JJADMO CC[C@]1(C)CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001546066351 1066340988 /nfs/dbraw/zinc/34/09/88/1066340988.db2.gz LMRGSGUGNWTYLM-JIPXPUAJSA-N 1 1 469.674 4.957 20 0 JJADMO CC[C@]1(C)CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001546066352 1066341025 /nfs/dbraw/zinc/34/10/25/1066341025.db2.gz LMRGSGUGNWTYLM-KDYSTLNUSA-N 1 1 469.674 4.957 20 0 JJADMO CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001546066350 1066341088 /nfs/dbraw/zinc/34/10/88/1066341088.db2.gz LMRGSGUGNWTYLM-IDISGSTGSA-N 1 1 469.674 4.957 20 0 JJADMO Cc1ccc2nc(COc3ccccc3C(=O)NCc3cccc(C[N@H+](C)C(C)C)c3)cn2c1 ZINC001443644238 1066343934 /nfs/dbraw/zinc/34/39/34/1066343934.db2.gz NESNYBGOLIIKKQ-UHFFFAOYSA-N 1 1 456.590 4.992 20 0 JJADMO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Br)C2)cc1 ZINC001455005933 1066351776 /nfs/dbraw/zinc/35/17/76/1066351776.db2.gz ABGRPQPZRANWBX-QAPCUYQASA-N 1 1 451.792 4.569 20 0 JJADMO COc1ccc(C2CC2)c(NC(=O)[C@H](C[N@@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)c1 ZINC001455079034 1066358051 /nfs/dbraw/zinc/35/80/51/1066358051.db2.gz PWTCYBJNFPMMIF-QHCPKHFHSA-N 1 1 453.583 4.536 20 0 JJADMO CC[C@@]1(C)CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001546068600 1066360178 /nfs/dbraw/zinc/36/01/78/1066360178.db2.gz SILLYVGBILBSJQ-CYFREDJKSA-N 1 1 490.490 4.691 20 0 JJADMO CC[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1)OC ZINC001545961581 1066361532 /nfs/dbraw/zinc/36/15/32/1066361532.db2.gz YFGHAIVKBJPIML-NRFANRHFSA-N 1 1 478.479 4.689 20 0 JJADMO Cc1cccc(OCCN(C)c2nnc(-c3cccc(C)n3)n2CC[N@@H+](C)C2CCCCC2)c1 ZINC001361111987 1066362498 /nfs/dbraw/zinc/36/24/98/1066362498.db2.gz IAOQIOAEPBSYRA-UHFFFAOYSA-N 1 1 462.642 4.737 20 0 JJADMO O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC001443764715 1066364328 /nfs/dbraw/zinc/36/43/28/1066364328.db2.gz HSGMRLMQLLXHPW-INIZCTEOSA-N 1 1 453.797 4.979 20 0 JJADMO O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC001443767281 1066364800 /nfs/dbraw/zinc/36/48/00/1066364800.db2.gz KTWRUNCKBVZNAN-HOTGVXAUSA-N 1 1 453.332 4.822 20 0 JJADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001443770033 1066365697 /nfs/dbraw/zinc/36/56/97/1066365697.db2.gz GTMFWBMLDISOJB-VEYUFSJPSA-N 1 1 455.687 4.557 20 0 JJADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@H](C)CCc1ccc(I)cc1 ZINC001443777559 1066367268 /nfs/dbraw/zinc/36/72/68/1066367268.db2.gz WLXCKVJEFKLSTF-YLJYHZDGSA-N 1 1 456.412 4.631 20 0 JJADMO CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C)Oc1cccc(F)c1 ZINC001545962370 1066367475 /nfs/dbraw/zinc/36/74/75/1066367475.db2.gz BIQNLEAADXVTHR-WAOWUJCRSA-N 1 1 455.578 4.762 20 0 JJADMO Cc1ccc(C(=O)NC2CCN(c3nnc(C(C)C)n3CCCC[N@H+]3CCCC[C@H]3C)CC2)s1 ZINC001361117325 1066368596 /nfs/dbraw/zinc/36/85/96/1066368596.db2.gz DZNMBVXNQNQJLX-HXUWFJFHSA-N 1 1 486.730 4.825 20 0 JJADMO C[N@@H+](CCCOc1ccccc1CNC(=O)Cc1cccc(Br)c1)C1CCCC1 ZINC001361119079 1066370533 /nfs/dbraw/zinc/37/05/33/1066370533.db2.gz OTGXQAWOSMTCKK-UHFFFAOYSA-N 1 1 459.428 4.951 20 0 JJADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Cc1c(C)cc(C)c(Br)c1C ZINC001443809701 1066370524 /nfs/dbraw/zinc/37/05/24/1066370524.db2.gz YJXWNWHROFSPPK-OAQYLSRUSA-N 1 1 458.444 4.825 20 0 JJADMO CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)N2CC[NH+](CCCOC(C)(C)C)CC2)c1 ZINC001455229624 1066373442 /nfs/dbraw/zinc/37/34/42/1066373442.db2.gz QEGBYLKTPPGMOL-UHFFFAOYSA-N 1 1 452.039 4.678 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](C)[C@H](C)C3)n2C[C@@H]2CCC[N@H+]2CCCO)c1 ZINC001361125918 1066380561 /nfs/dbraw/zinc/38/05/61/1066380561.db2.gz HHDIWYPWJYQCKM-VXNXHJTFSA-N 1 1 483.701 4.618 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)[C@H](C)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001361126374 1066384386 /nfs/dbraw/zinc/38/43/86/1066384386.db2.gz QVAGSQTYVJLCOK-VXNXHJTFSA-N 1 1 483.701 4.738 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@H]2CCC[N@H+]2CCCO)c1 ZINC001361126564 1066385239 /nfs/dbraw/zinc/38/52/39/1066385239.db2.gz UYCRSMHGSIVJOO-WXFUMESZSA-N 1 1 483.701 4.618 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCCC[C@@H](C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC001361127159 1066387398 /nfs/dbraw/zinc/38/73/98/1066387398.db2.gz GHQIRHLXRANWGK-XMMPIXPASA-N 1 1 496.744 4.941 20 0 JJADMO C[C@]1(c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NC[C@H](CO)c1ccc(Cl)cc1 ZINC001455421462 1066388926 /nfs/dbraw/zinc/38/89/26/1066388926.db2.gz UYYTUBNHRVOAHO-KODFZCBSSA-N 1 1 463.021 4.622 20 0 JJADMO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)CCCc2nc(-c3ccc(F)cc3)no2)CC1 ZINC001455464816 1066394552 /nfs/dbraw/zinc/39/45/52/1066394552.db2.gz MKVTZOOXBXUWQA-JOCHJYFZSA-N 1 1 454.521 4.633 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C)C3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001361130807 1066396674 /nfs/dbraw/zinc/39/66/74/1066396674.db2.gz ROCRHPQDNMXUIF-YTFSRNRJSA-N 1 1 469.674 4.634 20 0 JJADMO CCc1nc(C[NH+]2CCC(CNC(=O)CC[C@@H](O)c3ccc(C(C)(C)C)cc3)CC2)cs1 ZINC001444033442 1066396819 /nfs/dbraw/zinc/39/68/19/1066396819.db2.gz NATMXYQBWZCSGS-HSZRJFAPSA-N 1 1 457.684 4.845 20 0 JJADMO Cc1ccc([C@H](C)Cn2c(N3CCC([NH+]4CCN(C(C)C)CC4)CC3)nnc2C(C)(C)C)cc1 ZINC001361134062 1066405506 /nfs/dbraw/zinc/40/55/06/1066405506.db2.gz ACBXHXHYZAUUFD-HSZRJFAPSA-N 1 1 466.718 4.683 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)CC[C@H](O)c2ccc(C(C)(C)C)cc2)CCOCC1 ZINC001455543107 1066408832 /nfs/dbraw/zinc/40/88/32/1066408832.db2.gz KFZWJKBNQCLZHM-VWLOTQADSA-N 1 1 452.639 4.595 20 0 JJADMO Cc1ccc([C@@H](C)Cn2c(CC(C)C)nnc2N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC001361136739 1066410809 /nfs/dbraw/zinc/41/08/09/1066410809.db2.gz ZCPKQZCBPYFMCH-KMDXXIMOSA-N 1 1 467.702 4.914 20 0 JJADMO O=C(CCC(=O)c1ccc2c(c1)CCCC2)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001444130383 1066410898 /nfs/dbraw/zinc/41/08/98/1066410898.db2.gz IIZPDVJPPAZBEB-QHCPKHFHSA-N 1 1 458.524 4.938 20 0 JJADMO O=C(CCC(=O)c1ccc2c(c1)CCCC2)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001444130383 1066410912 /nfs/dbraw/zinc/41/09/12/1066410912.db2.gz IIZPDVJPPAZBEB-QHCPKHFHSA-N 1 1 458.524 4.938 20 0 JJADMO CCOc1ccccc1OCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001444138535 1066413151 /nfs/dbraw/zinc/41/31/51/1066413151.db2.gz PFIVJTMSPYSKQU-FQEVSTJZSA-N 1 1 450.501 4.654 20 0 JJADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Oc3ccc(N(C)C(=O)OC(C)(C)C)cc3)cc2)C[C@@H](C)O1 ZINC001361140638 1066418855 /nfs/dbraw/zinc/41/88/55/1066418855.db2.gz CGRBRPPTPYMAFP-RTBURBONSA-N 1 1 454.567 4.886 20 0 JJADMO O=C(NCc1cc(C(F)(F)F)ccc1Br)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC001455652346 1066421051 /nfs/dbraw/zinc/42/10/51/1066421051.db2.gz VIIZPPRJWLTWBN-SFHVURJKSA-N 1 1 459.281 4.888 20 0 JJADMO O=C(NCc1cc(C(F)(F)F)ccc1Br)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC001455652346 1066421056 /nfs/dbraw/zinc/42/10/56/1066421056.db2.gz VIIZPPRJWLTWBN-SFHVURJKSA-N 1 1 459.281 4.888 20 0 JJADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CCc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC001444164957 1066423548 /nfs/dbraw/zinc/42/35/48/1066423548.db2.gz HRVBPHNKINHPQX-ROUUACIJSA-N 1 1 450.649 4.536 20 0 JJADMO CC(C)c1ccc(-n2cnnc2SCC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC001444169409 1066424677 /nfs/dbraw/zinc/42/46/77/1066424677.db2.gz MGPGKUZVGFRYEV-RTWAWAEBSA-N 1 1 455.672 4.596 20 0 JJADMO C[C@H]1CN(C(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)CC[N@H+]1C1CCCC1 ZINC001455702719 1066424935 /nfs/dbraw/zinc/42/49/35/1066424935.db2.gz OAZDDWXOXAMKKS-HNNXBMFYSA-N 1 1 454.924 4.693 20 0 JJADMO C[C@@H]1C[C@H]2CC[C@@H](C(=O)Nc3ccc(CNC(=O)c4ccc(C(F)(F)F)cc4)cc3)C[N@H+]2C1 ZINC001444176527 1066425418 /nfs/dbraw/zinc/42/54/18/1066425418.db2.gz PIJWPGUGQCACKK-ZWDAVXSWSA-N 1 1 459.512 4.694 20 0 JJADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2(CNC(=O)OCc3ccccc3)CCCC2)C1 ZINC001444178474 1066426251 /nfs/dbraw/zinc/42/62/51/1066426251.db2.gz VKZIMHRHVMWTRK-VWNXMTODSA-N 1 1 455.643 4.586 20 0 JJADMO Cc1ccc(C)c(N2CCN(c3nnc(-c4ccc(Cl)nc4)n3CCC[N@H+](C)C(C)C)CC2)c1 ZINC001361145481 1066428920 /nfs/dbraw/zinc/42/89/20/1066428920.db2.gz YWPMDYHMTODTQV-UHFFFAOYSA-N 1 1 482.076 4.667 20 0 JJADMO CC[C@]1(C)CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC001546075960 1066429983 /nfs/dbraw/zinc/42/99/83/1066429983.db2.gz YYWNZFNUFCNENI-WIOPSUGQSA-N 1 1 453.034 4.847 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)Cc3cscn3)n2CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001361148217 1066433644 /nfs/dbraw/zinc/43/36/44/1066433644.db2.gz DMYRBJZOMUXSSU-OAQYLSRUSA-N 1 1 468.671 4.831 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)Cc3cscn3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361148594 1066435754 /nfs/dbraw/zinc/43/57/54/1066435754.db2.gz PRIFERUBSRKPDE-CTNGQTDRSA-N 1 1 468.671 4.687 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H]3CCCOC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001361148769 1066436836 /nfs/dbraw/zinc/43/68/36/1066436836.db2.gz WBNJEUOSXDMWBD-UPVQGACJSA-N 1 1 483.701 4.847 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001444258845 1066436911 /nfs/dbraw/zinc/43/69/11/1066436911.db2.gz KLDWQYXKSQOTLN-NEWJYFPISA-N 1 1 455.643 4.583 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)C[C@H]3CCCCO3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001361148841 1066437405 /nfs/dbraw/zinc/43/74/05/1066437405.db2.gz ZAIQCEOJXLMPRX-JWQCQUIFSA-N 1 1 483.701 4.847 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCC2=CCCCC2)c1 ZINC001361149224 1066439471 /nfs/dbraw/zinc/43/94/71/1066439471.db2.gz MTPWDLXXKSMMNR-PSWAGMNNSA-N 1 1 481.685 4.910 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCC2=CCCCC2)c1 ZINC001361149224 1066439475 /nfs/dbraw/zinc/43/94/75/1066439475.db2.gz MTPWDLXXKSMMNR-PSWAGMNNSA-N 1 1 481.685 4.910 20 0 JJADMO Cc1cccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1NC(=O)c1ccncc1 ZINC001444298447 1066444831 /nfs/dbraw/zinc/44/48/31/1066444831.db2.gz NMXPUEHADZBNLV-URXFXBBRSA-N 1 1 456.590 4.767 20 0 JJADMO Cc1csc(C[C@H]2CCCN(C(=O)[C@@]3(C(F)(F)F)CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC001455887518 1066446121 /nfs/dbraw/zinc/44/61/21/1066446121.db2.gz KQFUWCYBAPVXSV-DENIHFKCSA-N 1 1 451.558 4.687 20 0 JJADMO Cc1csc(C[C@@H]2CCCN(C(=O)[C@@]3(C(F)(F)F)CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC001455887522 1066446170 /nfs/dbraw/zinc/44/61/70/1066446170.db2.gz KQFUWCYBAPVXSV-SIKLNZKXSA-N 1 1 451.558 4.687 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@H]2CCCCO2)c1 ZINC001361154512 1066451194 /nfs/dbraw/zinc/45/11/94/1066451194.db2.gz BCLRQUHIGJPTKK-XMMPIXPASA-N 1 1 469.674 4.600 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCC(Cl)=C(Cl)C3)n2CC[N@@H+]2CC=CCC2)c1 ZINC001361155676 1066455568 /nfs/dbraw/zinc/45/55/68/1066455568.db2.gz XXLBFQBPHHBAKD-UHFFFAOYSA-N 1 1 462.425 4.635 20 0 JJADMO C[C@H]1[C@H](NC(=O)c2ccccc2SCC(=O)Nc2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC001455953857 1066459522 /nfs/dbraw/zinc/45/95/22/1066459522.db2.gz WZBAIIZZPMICAY-SCLBCKFNSA-N 1 1 452.407 4.547 20 0 JJADMO CC[C@@]1(C)CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546077892 1066460166 /nfs/dbraw/zinc/46/01/66/1066460166.db2.gz XQMBLRDPFFLMJU-TYPXCFOJSA-N 1 1 483.701 4.586 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@](C)(O)CCC(C)C)c1 ZINC001361158928 1066461952 /nfs/dbraw/zinc/46/19/52/1066461952.db2.gz ITCUAYLHLLVKNG-HHHXNRCGSA-N 1 1 471.690 4.582 20 0 JJADMO Cc1ccoc1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001361159456 1066464553 /nfs/dbraw/zinc/46/45/53/1066464553.db2.gz ZUNGTWQDQVTYRJ-UHFFFAOYSA-N 1 1 451.615 4.734 20 0 JJADMO COCCOCc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)ccc1F ZINC001444499125 1066468219 /nfs/dbraw/zinc/46/82/19/1066468219.db2.gz AWMJVICCVXZVAA-UHFFFAOYSA-N 1 1 454.586 4.650 20 0 JJADMO Cc1ccc(Br)c(C)c1C(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)sc2c1 ZINC001455993699 1066469198 /nfs/dbraw/zinc/46/91/98/1066469198.db2.gz VBHUXBLLZHVWKM-UHFFFAOYSA-N 1 1 459.413 4.680 20 0 JJADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 ZINC001444557342 1066475015 /nfs/dbraw/zinc/47/50/15/1066475015.db2.gz RTDUKQNHAPZZOK-QDPGVEIFSA-N 1 1 450.623 4.772 20 0 JJADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001444554802 1066475025 /nfs/dbraw/zinc/47/50/25/1066475025.db2.gz PPOTYTYPYAWMSQ-DEOSSOPVSA-N 1 1 457.659 4.784 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCS[C@@H](C)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361164227 1066475771 /nfs/dbraw/zinc/47/57/71/1066475771.db2.gz ZANUOWOVTLNIAU-IRLDBZIGSA-N 1 1 471.715 4.926 20 0 JJADMO Cc1cccc(-n2ccnc2SCC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1C ZINC001444562940 1066477273 /nfs/dbraw/zinc/47/72/73/1066477273.db2.gz GELRBNJFUILEIS-XXBNENTESA-N 1 1 454.665 4.842 20 0 JJADMO O=C(Nc1cccc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1)c1ccco1 ZINC001456027020 1066480592 /nfs/dbraw/zinc/48/05/92/1066480592.db2.gz FLFAPVVPWYZJMY-JOCHJYFZSA-N 1 1 451.954 4.970 20 0 JJADMO O=C(Nc1cccc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1)c1ccco1 ZINC001456027020 1066480597 /nfs/dbraw/zinc/48/05/97/1066480597.db2.gz FLFAPVVPWYZJMY-JOCHJYFZSA-N 1 1 451.954 4.970 20 0 JJADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(I)c(Cl)cc2Cl)C[C@@H]1C ZINC001444614203 1066483602 /nfs/dbraw/zinc/48/36/02/1066483602.db2.gz INYKWMMYXQMONO-QWRGUYRKSA-N 1 1 455.167 4.543 20 0 JJADMO Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccccc3C)n2CCCC[N@H+]2CCC[C@@H]2CO)o1 ZINC001361171505 1066487160 /nfs/dbraw/zinc/48/71/60/1066487160.db2.gz VMPHCRPFCPHCNV-FGZHOGPDSA-N 1 1 451.615 4.589 20 0 JJADMO O=C(NCC1(c2ccc(Br)cc2)CCCCC1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC001444665879 1066490288 /nfs/dbraw/zinc/49/02/88/1066490288.db2.gz IUPBJBBAFNGOJS-JOCHJYFZSA-N 1 1 456.428 4.827 20 0 JJADMO O=C(NCC1(c2ccc(Br)cc2)CCCCC1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC001444665879 1066490291 /nfs/dbraw/zinc/49/02/91/1066490291.db2.gz IUPBJBBAFNGOJS-JOCHJYFZSA-N 1 1 456.428 4.827 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3ccc(Cl)c(F)c3)n2CCCC[N@H+]2CCC[C@H]2CO)o1 ZINC001361178243 1066498740 /nfs/dbraw/zinc/49/87/40/1066498740.db2.gz JLRJEFJEKSJYJS-IBGZPJMESA-N 1 1 475.996 4.512 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CCC[N@H+]2CCCC[C@H]2C)o1 ZINC001361181130 1066502056 /nfs/dbraw/zinc/50/20/56/1066502056.db2.gz DTMNGXYBPWALCR-LJQANCHMSA-N 1 1 451.619 4.661 20 0 JJADMO CCN(CC1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2cccc(C)c2)CC1)C(=O)OC(C)(C)C ZINC001444767291 1066502813 /nfs/dbraw/zinc/50/28/13/1066502813.db2.gz GQCRMHYZNHVLPK-XMMPIXPASA-N 1 1 457.659 4.845 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3cscn3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1Br ZINC001361181632 1066503706 /nfs/dbraw/zinc/50/37/06/1066503706.db2.gz RDSGOUOTLQWMKT-MRXNPFEDSA-N 1 1 489.487 4.841 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC1CCCC1 ZINC001361183738 1066506138 /nfs/dbraw/zinc/50/61/38/1066506138.db2.gz PITINHIACXKESD-UHFFFAOYSA-N 1 1 457.420 4.848 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCC(F)(F)F)n2C[C@@H]2CCn3cc[nH+]c3C2)cc1Br ZINC001361184593 1066508208 /nfs/dbraw/zinc/50/82/08/1066508208.db2.gz NWUMKWPCTJMLPY-OAHLLOKOSA-N 1 1 497.363 4.864 20 0 JJADMO CC[C@@]1(C)CCN(c2nnc(CSc3ccc(C)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001546079443 1066510020 /nfs/dbraw/zinc/51/00/20/1066510020.db2.gz MNWLMNDHLKBDQR-SANMLTNESA-N 1 1 470.731 4.531 20 0 JJADMO CN1CC[NH+](CCOc2ccc(NC(=O)C(C)(C)c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC001444857285 1066513815 /nfs/dbraw/zinc/51/38/15/1066513815.db2.gz RGNZHOQVZKTPBP-UHFFFAOYSA-N 1 1 450.410 4.536 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCN(C)c3ccccc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)o1 ZINC001361188779 1066514151 /nfs/dbraw/zinc/51/41/51/1066514151.db2.gz YJDPJWTUDNVLTH-NHCUHLMSSA-N 1 1 450.631 4.540 20 0 JJADMO O=C(c1ccc2ccc(O)cc2c1O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001444868648 1066514714 /nfs/dbraw/zinc/51/47/14/1066514714.db2.gz SOLOBSIODTZWEG-GOSISDBHSA-N 1 1 458.480 4.778 20 0 JJADMO C[C@@H]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CC[N@H+]1Cc1ccccc1 ZINC001444893541 1066516502 /nfs/dbraw/zinc/51/65/02/1066516502.db2.gz SSVFLUZUNGQJGK-QGZVFWFLSA-N 1 1 453.384 4.576 20 0 JJADMO Cc1ccc(-c2nnc(N(CC(C)C)C(C)C)n2C[C@H]2CCC[N@H+]2CCCO)cc1Br ZINC001361191539 1066518781 /nfs/dbraw/zinc/51/87/81/1066518781.db2.gz XHQCSWFRJKVCND-OAQYLSRUSA-N 1 1 492.506 4.734 20 0 JJADMO Cc1ccc(-c2nnc(N(CC(C)C)C(C)C)n2C[C@@H]2CCC[N@H+]2CCCO)cc1Br ZINC001361191538 1066518838 /nfs/dbraw/zinc/51/88/38/1066518838.db2.gz XHQCSWFRJKVCND-NRFANRHFSA-N 1 1 492.506 4.734 20 0 JJADMO CC[C@H](c1ccccc1)N1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001361192142 1066519259 /nfs/dbraw/zinc/51/92/59/1066519259.db2.gz HZWFIICPBAUOLH-NOZRDPDXSA-N 1 1 459.556 4.737 20 0 JJADMO CC[C@H](c1ccccc1)N1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001361192142 1066519270 /nfs/dbraw/zinc/51/92/70/1066519270.db2.gz HZWFIICPBAUOLH-NOZRDPDXSA-N 1 1 459.556 4.737 20 0 JJADMO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)CC1 ZINC001361193574 1066520221 /nfs/dbraw/zinc/52/02/21/1066520221.db2.gz WUYJVBMHMRUMMG-FQEVSTJZSA-N 1 1 458.393 4.792 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Oc3cccc(CNC(=O)OC(C)(C)C)c3)cc2)C[C@H](C)O1 ZINC001456177876 1066530113 /nfs/dbraw/zinc/53/01/13/1066530113.db2.gz HCZKILUROCXBQL-KDURUIRLSA-N 1 1 454.567 4.540 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Oc3cccc(CNC(=O)OC(C)(C)C)c3)cc2)C[C@H](C)O1 ZINC001456177876 1066530126 /nfs/dbraw/zinc/53/01/26/1066530126.db2.gz HCZKILUROCXBQL-KDURUIRLSA-N 1 1 454.567 4.540 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)o1 ZINC001361200460 1066530452 /nfs/dbraw/zinc/53/04/52/1066530452.db2.gz WZIXTIIKCLDRFW-MHECFPHRSA-N 1 1 497.606 4.888 20 0 JJADMO Cc1c(C(=O)Nc2cc(Cl)ccc2SC(C)C)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC001456181746 1066532076 /nfs/dbraw/zinc/53/20/76/1066532076.db2.gz WKPRCIWRISTDKQ-UHFFFAOYSA-N 1 1 456.015 4.970 20 0 JJADMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccn(-c4cccc(C(F)(F)F)c4)n3)cc2)C1 ZINC001445041096 1066531915 /nfs/dbraw/zinc/53/19/15/1066531915.db2.gz BCPWWMHFHNEXIH-KRWDZBQOSA-N 1 1 458.484 4.864 20 0 JJADMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)cc2)C1 ZINC001445051186 1066533589 /nfs/dbraw/zinc/53/35/89/1066533589.db2.gz SMMSSBZKTNTYPI-KRWDZBQOSA-N 1 1 458.484 4.864 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC(CN(C)C(=O)OC(C)(C)C)CC3)n2CCCn2cc[nH+]c2C)o1 ZINC001361205531 1066537009 /nfs/dbraw/zinc/53/70/09/1066537009.db2.gz LAAZYMWKDUQPKS-UHFFFAOYSA-N 1 1 497.644 4.525 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2Cc2cccc(N(C)C)c2)o1 ZINC001361205692 1066537371 /nfs/dbraw/zinc/53/73/71/1066537371.db2.gz PIMZNXIUCINKKL-UHFFFAOYSA-N 1 1 450.631 4.517 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CCSCC(F)(F)F)o1 ZINC001361205850 1066537820 /nfs/dbraw/zinc/53/78/20/1066537820.db2.gz VGKORPPWTIBSSK-UHFFFAOYSA-N 1 1 459.582 4.699 20 0 JJADMO CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001445170737 1066542835 /nfs/dbraw/zinc/54/28/35/1066542835.db2.gz AMKIVMVGIYCQIN-HSZRJFAPSA-N 1 1 455.643 4.537 20 0 JJADMO Cc1ccc(-c2nnc(N3CCCC3(C)C)n2CCCC[N@H+]2CCC[C@@H]2CO)cc1Br ZINC001361214248 1066550210 /nfs/dbraw/zinc/55/02/10/1066550210.db2.gz LIIAJOROBOXNPS-HXUWFJFHSA-N 1 1 490.490 4.632 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC[N@H+](C4CCCC4)CC3)n2CCCN(C)C(=O)OC(C)(C)C)o1 ZINC001361217094 1066552583 /nfs/dbraw/zinc/55/25/83/1066552583.db2.gz FCCLYZWSYIUKMQ-UHFFFAOYSA-N 1 1 486.661 4.558 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)o1 ZINC001361218940 1066555912 /nfs/dbraw/zinc/55/59/12/1066555912.db2.gz XSFNURAWDKQYCM-FQEVSTJZSA-N 1 1 488.677 4.706 20 0 JJADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Cl)[C@H](C)C1 ZINC001456298161 1066557522 /nfs/dbraw/zinc/55/75/22/1066557522.db2.gz FYBYDWHQPKBXBX-OXQOHEQNSA-N 1 1 454.011 4.554 20 0 JJADMO O=C(COCc1cccc(Cl)c1)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001361220364 1066557513 /nfs/dbraw/zinc/55/75/13/1066557513.db2.gz OBICVKOKUJLKIJ-FQEVSTJZSA-N 1 1 454.920 4.770 20 0 JJADMO COc1ccc(C(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)c(C)c1OC ZINC001361220633 1066557922 /nfs/dbraw/zinc/55/79/22/1066557922.db2.gz XXGWCSJIAXFRLU-IBGZPJMESA-N 1 1 450.501 4.539 20 0 JJADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)[C@@H](C)C1 ZINC001456306353 1066560357 /nfs/dbraw/zinc/56/03/57/1066560357.db2.gz ZWHAELOKFOZUGG-RXVVDRJESA-N 1 1 454.640 4.571 20 0 JJADMO Cc1ccc([C@H]2CCCN2c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+](C)C(C)C)o1 ZINC001361235368 1066575854 /nfs/dbraw/zinc/57/58/54/1066575854.db2.gz VOFLZOUCFPHCKG-GOSISDBHSA-N 1 1 461.408 4.619 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC001445525136 1066581973 /nfs/dbraw/zinc/58/19/73/1066581973.db2.gz OYHGPWDFBYOVBC-VXNXHJTFSA-N 1 1 455.643 4.537 20 0 JJADMO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001445531672 1066583779 /nfs/dbraw/zinc/58/37/79/1066583779.db2.gz YLZRJYYFLKLQJH-LEDOBFOHSA-N 1 1 457.412 4.730 20 0 JJADMO CC(C)n1cc(Br)cc1C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001545976578 1066587272 /nfs/dbraw/zinc/58/72/72/1066587272.db2.gz RZACUAXQDVZNFL-IBGZPJMESA-N 1 1 456.388 4.727 20 0 JJADMO COc1ccc(-c2ncc(C(=O)N3CCC(CC[N@H+]4CCCC[C@H]4C)CC3)s2)cc1OC ZINC001445563676 1066587766 /nfs/dbraw/zinc/58/77/66/1066587766.db2.gz AFKLKOPSWKRJII-GOSISDBHSA-N 1 1 457.640 4.944 20 0 JJADMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccccc3SCC(=O)NC3CCCCCCC3)CC[C@H]21 ZINC001445576720 1066589559 /nfs/dbraw/zinc/58/95/59/1066589559.db2.gz WEQZSKDGOQNOGF-NZQKXSOJSA-N 1 1 457.684 4.564 20 0 JJADMO CCCN(C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001445639349 1066597372 /nfs/dbraw/zinc/59/73/72/1066597372.db2.gz SSPCBIVABRHKOD-QHCPKHFHSA-N 1 1 457.659 4.579 20 0 JJADMO COc1ccc(C[C@@H](C)NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1OC ZINC001361253478 1066601124 /nfs/dbraw/zinc/60/11/24/1066601124.db2.gz WCBBYVSLIWLCIU-BCAKYAHRSA-N 1 1 472.629 4.841 20 0 JJADMO Cc1ccc(CN(C)c2nnc(Cc3ccccc3F)n2C[C@H]2CCC[N@H+](CC(C)C)C2)o1 ZINC001361257884 1066606334 /nfs/dbraw/zinc/60/63/34/1066606334.db2.gz KOWPNLYSCYLGQV-NRFANRHFSA-N 1 1 453.606 4.914 20 0 JJADMO Cc1ccc(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2CCC[N@H+]2CCCO[C@H](C)C2)o1 ZINC001361258269 1066607468 /nfs/dbraw/zinc/60/74/68/1066607468.db2.gz QXOHKUNNFGORCZ-HXUWFJFHSA-N 1 1 472.033 4.561 20 0 JJADMO Cc1ccc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)cn1 ZINC001361273777 1066630221 /nfs/dbraw/zinc/63/02/21/1066630221.db2.gz ZDOKYKUNDKIPKA-UHFFFAOYSA-N 1 1 484.595 4.855 20 0 JJADMO CC[N@@H+](C)[C@H](C(=O)N1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1)c1ccccc1 ZINC001456624944 1066648980 /nfs/dbraw/zinc/64/89/80/1066648980.db2.gz WGVFSBDKORFUIF-URXFXBBRSA-N 1 1 457.659 4.955 20 0 JJADMO CC[C@@]1(C)CN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+](C)C2CCCCC2)CCO1 ZINC001546083709 1066650214 /nfs/dbraw/zinc/65/02/14/1066650214.db2.gz RRBJXXGTRXSCED-DEOSSOPVSA-N 1 1 490.490 4.977 20 0 JJADMO CC[C@]1(C)CN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+](C)C2CCCCC2)CCO1 ZINC001546083710 1066650350 /nfs/dbraw/zinc/65/03/50/1066650350.db2.gz RRBJXXGTRXSCED-XMMPIXPASA-N 1 1 490.490 4.977 20 0 JJADMO CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001456646921 1066657389 /nfs/dbraw/zinc/65/73/89/1066657389.db2.gz DDCDSRHLQMWFEI-ISJGIBHGSA-N 1 1 463.622 4.560 20 0 JJADMO CC[C@@]1(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCN(C(=O)OC(C)(C)C)C1 ZINC001456648147 1066658168 /nfs/dbraw/zinc/65/81/68/1066658168.db2.gz IMFKHLRZMWJMEH-BOCWGRARSA-N 1 1 477.649 4.808 20 0 JJADMO Cc1ccnc(OC2CCN(c3nnc(CC(C)(C)C)n3CC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC001492607658 1066667257 /nfs/dbraw/zinc/66/72/57/1066667257.db2.gz CUUYHBOIGHUCKG-UHFFFAOYSA-N 1 1 476.669 4.750 20 0 JJADMO CC1=CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001492608416 1066669096 /nfs/dbraw/zinc/66/90/96/1066669096.db2.gz BTQFZFRVVCQQMY-GOSISDBHSA-N 1 1 469.431 4.713 20 0 JJADMO C[N@@H+]1CC[C@H](NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)[C@@H]1c1ccc(F)cc1 ZINC001446186426 1066670323 /nfs/dbraw/zinc/67/03/23/1066670323.db2.gz DZPOXOSIHUMSNS-REWPJTCUSA-N 1 1 459.974 4.619 20 0 JJADMO C[N@H+]1CC[C@H](NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)[C@@H]1c1ccc(F)cc1 ZINC001446186426 1066670331 /nfs/dbraw/zinc/67/03/31/1066670331.db2.gz DZPOXOSIHUMSNS-REWPJTCUSA-N 1 1 459.974 4.619 20 0 JJADMO CC1=CCCN(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001492609751 1066671188 /nfs/dbraw/zinc/67/11/88/1066671188.db2.gz VURINQGJPDSWRM-KDURUIRLSA-N 1 1 489.506 4.959 20 0 JJADMO C[N@H+]1CC[C@@H](NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)[C@@H]1c1ccc(F)cc1 ZINC001446196440 1066674322 /nfs/dbraw/zinc/67/43/22/1066674322.db2.gz SLWNANPPOMGTCV-KNQAVFIVSA-N 1 1 458.603 4.513 20 0 JJADMO CC[N@H+]1CCN(C(=O)Cc2sc(Nc3ccccc3OC)nc2-c2ccccc2)C[C@@H]1C ZINC001446198072 1066674743 /nfs/dbraw/zinc/67/47/43/1066674743.db2.gz UAXQEXRXWYPEQK-SFHVURJKSA-N 1 1 450.608 4.657 20 0 JJADMO CC1=CCCN(c2nnc(COc3ccc(Br)cc3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001492613150 1066674910 /nfs/dbraw/zinc/67/49/10/1066674910.db2.gz IRIZNGNOULYEJT-UHFFFAOYSA-N 1 1 474.447 4.650 20 0 JJADMO Cc1ccc(SCc2nnc(N3CCC=C(C)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC001492613891 1066677651 /nfs/dbraw/zinc/67/76/51/1066677651.db2.gz MRRGJELQPIDOCU-JOCHJYFZSA-N 1 1 455.672 4.536 20 0 JJADMO CC1=CCCN(c2nnc(COc3ccccc3F)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001492614240 1066678396 /nfs/dbraw/zinc/67/83/96/1066678396.db2.gz ZSVGZAGXHDFLMV-OYRHEFFESA-N 1 1 455.622 4.909 20 0 JJADMO CC1=CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001492615220 1066680444 /nfs/dbraw/zinc/68/04/44/1066680444.db2.gz DVIAVQPTNPMTFX-OALUTQOASA-N 1 1 458.448 4.984 20 0 JJADMO CCN(Cc1ccccc1)c1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC001456746918 1066680656 /nfs/dbraw/zinc/68/06/56/1066680656.db2.gz LJYXKNQGHDUKIT-FIPFOOKPSA-N 1 1 457.618 4.732 20 0 JJADMO CCN(Cc1ccccc1)c1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC001456746918 1066680667 /nfs/dbraw/zinc/68/06/67/1066680667.db2.gz LJYXKNQGHDUKIT-FIPFOOKPSA-N 1 1 457.618 4.732 20 0 JJADMO CC1=CCN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001492615483 1066681791 /nfs/dbraw/zinc/68/17/91/1066681791.db2.gz OIICUXBIDFGSCH-KDURUIRLSA-N 1 1 488.474 4.752 20 0 JJADMO Cc1cnn([C@H]2CCCN(c3nnc([C@H](C)Oc4cccc(C)c4C)n3CC[N@H+](C)C(C)C)C2)c1 ZINC001492620484 1066690756 /nfs/dbraw/zinc/69/07/56/1066690756.db2.gz GSSFVEWRPFKZRL-ZEQRLZLVSA-N 1 1 479.673 4.722 20 0 JJADMO Cc1cnn(CC2CCN(c3nnc(C(C)(C)C)n3Cc3ccccc3C[N@H+](C)C(C)C)CC2)c1 ZINC001492621660 1066692971 /nfs/dbraw/zinc/69/29/71/1066692971.db2.gz FNDHNYAXTKMWKQ-UHFFFAOYSA-N 1 1 477.701 4.886 20 0 JJADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[nH]2)c1 ZINC001456803656 1066694413 /nfs/dbraw/zinc/69/44/13/1066694413.db2.gz VKUVJGOMQNWPQZ-UHFFFAOYSA-N 1 1 454.530 4.651 20 0 JJADMO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[nH]n2)c1 ZINC001456803656 1066694418 /nfs/dbraw/zinc/69/44/18/1066694418.db2.gz VKUVJGOMQNWPQZ-UHFFFAOYSA-N 1 1 454.530 4.651 20 0 JJADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[nH]n2)c1 ZINC001456803656 1066694424 /nfs/dbraw/zinc/69/44/24/1066694424.db2.gz VKUVJGOMQNWPQZ-UHFFFAOYSA-N 1 1 454.530 4.651 20 0 JJADMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)CC1 ZINC001446352944 1066694862 /nfs/dbraw/zinc/69/48/62/1066694862.db2.gz FOHRCBOXLGAMKF-UHFFFAOYSA-N 1 1 451.583 4.607 20 0 JJADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC001456816205 1066700146 /nfs/dbraw/zinc/70/01/46/1066700146.db2.gz FCMFQHIBFUFXHU-PMACEKPBSA-N 1 1 453.974 4.713 20 0 JJADMO COc1cc(Br)c(Cl)cc1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001456938947 1066726430 /nfs/dbraw/zinc/72/64/30/1066726430.db2.gz MUOHTRKZZUOCMD-MRXNPFEDSA-N 1 1 451.792 4.705 20 0 JJADMO CC[C@H](Cn1c(C2CCCC2)nnc1N1CCC[N@H+](C2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC001545987769 1066726704 /nfs/dbraw/zinc/72/67/04/1066726704.db2.gz WWOTURCALNJPOY-OAQYLSRUSA-N 1 1 474.694 4.694 20 0 JJADMO Cc1csc([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC001492640373 1066731246 /nfs/dbraw/zinc/73/12/46/1066731246.db2.gz WSEUDPDGFWHCCC-GOSISDBHSA-N 1 1 470.662 4.897 20 0 JJADMO COC(=O)[C@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1)CC1CCCC1 ZINC001457014312 1066742289 /nfs/dbraw/zinc/74/22/89/1066742289.db2.gz GCQJNFFGMNBXGV-IHTKTJBKSA-N 1 1 462.634 4.562 20 0 JJADMO CCC[C@@H]1CN(C(=O)/C=C\[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001446813984 1066744123 /nfs/dbraw/zinc/74/41/23/1066744123.db2.gz JQCMYLVUXBIQKH-ZXVSTTAWSA-N 1 1 455.643 4.703 20 0 JJADMO Cc1csc(CCCCn2c(N3CC[NH+](CCOc4ccccc4)CC3)nnc2C(C)(C)C)n1 ZINC001492645234 1066745509 /nfs/dbraw/zinc/74/55/09/1066745509.db2.gz OULHSXJAOLCKCU-UHFFFAOYSA-N 1 1 482.698 4.564 20 0 JJADMO Cc1csc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[N@H+](C)C(C)C)c1 ZINC001492645472 1066746036 /nfs/dbraw/zinc/74/60/36/1066746036.db2.gz WWQXIGXBYUCCQQ-UHFFFAOYSA-N 1 1 468.671 4.884 20 0 JJADMO CC(C)[N@H+](Cc1ccc(NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)cc1)C[C@H]1CCCCO1 ZINC001446836238 1066746163 /nfs/dbraw/zinc/74/61/63/1066746163.db2.gz NAVFQESFBWWDNA-QZTJIDSGSA-N 1 1 451.822 4.526 20 0 JJADMO CC(C)[N@H+](Cc1ccc(NC(=O)[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)cc1)C[C@H]1CCCCO1 ZINC001446840618 1066746623 /nfs/dbraw/zinc/74/66/23/1066746623.db2.gz WANXPCHISPTKLK-WWNPGLIZSA-N 1 1 459.631 4.565 20 0 JJADMO CC(C)[N@H+](Cc1ccc(NC(=O)c2csc(Br)n2)cc1)C[C@H]1CCCCO1 ZINC001446837856 1066746791 /nfs/dbraw/zinc/74/67/91/1066746791.db2.gz PXMFDSZIJNVANW-QGZVFWFLSA-N 1 1 452.418 4.937 20 0 JJADMO Cc1csc(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)[NH+]2CCOCC2)c1 ZINC001492646107 1066748601 /nfs/dbraw/zinc/74/86/01/1066748601.db2.gz VVNSJRWYBFMOBY-INIZCTEOSA-N 1 1 480.465 4.979 20 0 JJADMO C[N@H+]1CCCC12CCN(C(=O)c1cc3cc(Br)cc(Br)c3o1)CC2 ZINC001446865035 1066750099 /nfs/dbraw/zinc/75/00/99/1066750099.db2.gz CMNBPTSVUVFPIT-UHFFFAOYSA-N 1 1 456.178 4.658 20 0 JJADMO Cc1csc(CN(C)c2nnc(Cc3ccccn3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001492647497 1066751406 /nfs/dbraw/zinc/75/14/06/1066751406.db2.gz NKDAYAAMEWXQSA-LJQANCHMSA-N 1 1 452.672 4.781 20 0 JJADMO Cc1csc(CN(C)c2nnc(Cc3ccc(F)cc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC001492647418 1066751470 /nfs/dbraw/zinc/75/14/70/1066751470.db2.gz LLVSDMYFVAIBJV-FQEVSTJZSA-N 1 1 471.646 4.515 20 0 JJADMO Cc1csc(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCC[N@H+](C(C)C)CC2)n1 ZINC001492649802 1066757540 /nfs/dbraw/zinc/75/75/40/1066757540.db2.gz PHMBDGPYYKCMQA-UHFFFAOYSA-N 1 1 489.487 4.750 20 0 JJADMO CC[C@@]1(C)CN(c2nnc(-c3ccc(OC)cc3OC)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001546086948 1066758174 /nfs/dbraw/zinc/75/81/74/1066758174.db2.gz BVTYOAHSWNXCSZ-GTNJKRJXSA-N 1 1 499.700 4.724 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC001457087710 1066758738 /nfs/dbraw/zinc/75/87/38/1066758738.db2.gz DVRCNPZVARDBBX-MBSDFSHPSA-N 1 1 454.039 4.957 20 0 JJADMO CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1 ZINC001446979534 1066760954 /nfs/dbraw/zinc/76/09/54/1066760954.db2.gz GTZQSWFBKYRZBM-JOCHJYFZSA-N 1 1 453.631 4.593 20 0 JJADMO C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001457103070 1066763067 /nfs/dbraw/zinc/76/30/67/1066763067.db2.gz RNJDZKMDPBYNDH-NMMYMHLASA-N 1 1 451.611 4.913 20 0 JJADMO C[N@@H+](CCCO)C1CCN(C(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)CC1 ZINC001447052774 1066769635 /nfs/dbraw/zinc/76/96/35/1066769635.db2.gz FHAROVIEMWLPOW-UHFFFAOYSA-N 1 1 456.583 4.783 20 0 JJADMO C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001447103024 1066773183 /nfs/dbraw/zinc/77/31/83/1066773183.db2.gz LJQZJJUCOGLUBJ-BMQTXXJKSA-N 1 1 468.013 4.672 20 0 JJADMO Cc1nc(Cc2nnc(N(C)[C@H](C)c3cccs3)n2CCCCn2cc[nH+]c2C)cs1 ZINC001492662575 1066782422 /nfs/dbraw/zinc/78/24/22/1066782422.db2.gz WFPCFLZIURCIFI-MRXNPFEDSA-N 1 1 455.657 4.878 20 0 JJADMO Cc1nc(Cc2nnc(N(C)[C@H](C)c3ccc(F)cc3)n2CC[N@@H+](C)C2CCCC2)cs1 ZINC001492662672 1066782808 /nfs/dbraw/zinc/78/28/08/1066782808.db2.gz WUXHIMGZFSMDOD-QGZVFWFLSA-N 1 1 456.635 4.845 20 0 JJADMO C[C@H](Cc1ccccc1)n1cccc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001447304912 1066789821 /nfs/dbraw/zinc/78/98/21/1066789821.db2.gz GSUACKMUXNPNPG-RZFJZAQRSA-N 1 1 450.671 4.701 20 0 JJADMO C[C@H](Cc1ccccc1)n1cccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001447304904 1066789877 /nfs/dbraw/zinc/78/98/77/1066789877.db2.gz GSUACKMUXNPNPG-RCXJIHSJSA-N 1 1 450.671 4.701 20 0 JJADMO Cc1nc(Cc2nnc(N(C)Cc3ccc(Cl)c(F)c3)n2CC[N@@H+]2CCC[C@H](C)C2)cs1 ZINC001492666451 1066791962 /nfs/dbraw/zinc/79/19/62/1066791962.db2.gz UMTFKMLHUVONEO-INIZCTEOSA-N 1 1 477.053 4.795 20 0 JJADMO C[C@@H]1C[C@@H](NC(=O)c2ccc(OC(F)F)c(Br)c2)CC[N@H+]1Cc1ccccc1 ZINC001457227639 1066794509 /nfs/dbraw/zinc/79/45/09/1066794509.db2.gz KJDYXRNGLIDKAY-PBHICJAKSA-N 1 1 453.327 4.833 20 0 JJADMO CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC001457277861 1066802570 /nfs/dbraw/zinc/80/25/70/1066802570.db2.gz TYHYSZMFNCIGFJ-OAQYLSRUSA-N 1 1 458.647 4.599 20 0 JJADMO Cc1nc(Cc2nnc(N3CC=C(C(F)(F)F)CC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)cs1 ZINC001492671635 1066802695 /nfs/dbraw/zinc/80/26/95/1066802695.db2.gz AOQIEDKOWHVMAF-KRWDZBQOSA-N 1 1 482.620 4.845 20 0 JJADMO Cc1nc(Cc2nnc(N3CC[C@H](C)[C@H](C)C3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001492673611 1066806677 /nfs/dbraw/zinc/80/66/77/1066806677.db2.gz XYEXIOGFBAGMKC-ZGXWSNOMSA-N 1 1 458.720 4.873 20 0 JJADMO CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)NC(=O)OC(C)(C)C ZINC001545995676 1066808057 /nfs/dbraw/zinc/80/80/57/1066808057.db2.gz WSSIQOZMFVKECN-KCZVDYSFSA-N 1 1 488.721 4.623 20 0 JJADMO Cc1nc(Cc2nnc(N3CC[C@@H]([N@@H+](C)Cc4ccccc4)C3)n2CCCC(C)C)cs1 ZINC001492674426 1066809102 /nfs/dbraw/zinc/80/91/02/1066809102.db2.gz ASOCHSLONJPJHU-HSZRJFAPSA-N 1 1 452.672 4.781 20 0 JJADMO CC[C@]1(C)CN(c2nnc(-c3ccccc3Br)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001546089522 1066812460 /nfs/dbraw/zinc/81/24/60/1066812460.db2.gz QSCKACYTBSQDPK-YDIMBITNSA-N 1 1 490.490 4.833 20 0 JJADMO CC[C@H]1CN(C(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001447495446 1066815519 /nfs/dbraw/zinc/81/55/19/1066815519.db2.gz FGFXJSBRCXHGSB-FQEVSTJZSA-N 1 1 456.512 4.936 20 0 JJADMO CC[C@H]1CN(C(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001447495446 1066815526 /nfs/dbraw/zinc/81/55/26/1066815526.db2.gz FGFXJSBRCXHGSB-FQEVSTJZSA-N 1 1 456.512 4.936 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[C@H](C(F)F)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)cs1 ZINC001492677162 1066815836 /nfs/dbraw/zinc/81/58/36/1066815836.db2.gz XLWVBGIUQYOYSL-WMZOPIPTSA-N 1 1 466.646 4.626 20 0 JJADMO CC[C@H]1CN(C(=O)COc2ccc(Cl)cc2Br)CC[N@H+]1Cc1ccccc1 ZINC001447514049 1066817258 /nfs/dbraw/zinc/81/72/58/1066817258.db2.gz VBCRSLFODYPUBB-SFHVURJKSA-N 1 1 451.792 4.604 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[C@H]3C(C)C)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)cs1 ZINC001492678474 1066818824 /nfs/dbraw/zinc/81/88/24/1066818824.db2.gz YDKMZOCVDBWKCG-XXBNENTESA-N 1 1 452.672 4.779 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H](C)Oc2ccc(Cl)cc2)cs1 ZINC001492679760 1066821845 /nfs/dbraw/zinc/82/18/45/1066821845.db2.gz PCTKJWQOPHUMQQ-GOSISDBHSA-N 1 1 489.089 4.675 20 0 JJADMO CCCc1c(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001457396373 1066822024 /nfs/dbraw/zinc/82/20/24/1066822024.db2.gz WLJUYHKBSDPXFT-UHFFFAOYSA-N 1 1 451.590 4.518 20 0 JJADMO CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC001447566288 1066822473 /nfs/dbraw/zinc/82/24/73/1066822473.db2.gz YRONBSQSRGNNHV-OAHLLOKOSA-N 1 1 454.562 4.714 20 0 JJADMO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)/C(=C\c1cccc(Cl)c1)c1cccs1 ZINC001447580856 1066825563 /nfs/dbraw/zinc/82/55/63/1066825563.db2.gz DSLFHYOOIQJWMD-MQXJPVLKSA-N 1 1 453.007 4.825 20 0 JJADMO Cc1nc(Cc2nnc(N3CCS[C@H](C(C)C)C3)n2CCCC[N@H+]2CCCC[C@@H]2C)cs1 ZINC001492684142 1066827960 /nfs/dbraw/zinc/82/79/60/1066827960.db2.gz RYMPHNPYLNONTH-UGKGYDQZSA-N 1 1 476.760 4.866 20 0 JJADMO CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)CSCc2ccc(Cl)cc2Cl)C1 ZINC001447616062 1066828710 /nfs/dbraw/zinc/82/87/10/1066828710.db2.gz NGQXVERMZMJOIZ-UHFFFAOYSA-N 1 1 453.435 4.994 20 0 JJADMO Cc1nc(CCn2c(-c3ccccc3Cl)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cs1 ZINC001492689167 1066835516 /nfs/dbraw/zinc/83/55/16/1066835516.db2.gz YSBFJOAXXCFRQU-UHFFFAOYSA-N 1 1 459.063 4.917 20 0 JJADMO CC(=O)NCCCc1ccc(-c2csc(NC(=O)[C@H]3CC[N@H+](C)[C@H]3c3ccccc3)n2)cc1 ZINC001457497053 1066843551 /nfs/dbraw/zinc/84/35/51/1066843551.db2.gz AZVRJBHMWLXCAE-UPVQGACJSA-N 1 1 462.619 4.510 20 0 JJADMO Cc1ncc(CN(C)c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](C)[N@@H+](C)C2CC2)s1 ZINC001492696226 1066845771 /nfs/dbraw/zinc/84/57/71/1066845771.db2.gz YMLOFDJAGXFZRN-CYBMUJFWSA-N 1 1 493.450 4.731 20 0 JJADMO Cc1ncc(CN(C)c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)s1 ZINC001492697901 1066849752 /nfs/dbraw/zinc/84/97/52/1066849752.db2.gz HSLGWLFSGGZRQD-OAQYLSRUSA-N 1 1 470.662 4.777 20 0 JJADMO CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC001457519058 1066850394 /nfs/dbraw/zinc/85/03/94/1066850394.db2.gz LRVFKUMLRZBOTL-IBGZPJMESA-N 1 1 452.986 4.850 20 0 JJADMO Cc1ncc(CN(C)c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)s1 ZINC001492698409 1066850954 /nfs/dbraw/zinc/85/09/54/1066850954.db2.gz WOADXCFZBGCJBS-ZWKOTPCHSA-N 1 1 456.635 4.530 20 0 JJADMO Cc1ncc(CN(C)c2nnc(CCc3ccccc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)s1 ZINC001492698583 1066851459 /nfs/dbraw/zinc/85/14/59/1066851459.db2.gz CKTUETDPDJFCDL-JOCHJYFZSA-N 1 1 452.672 4.585 20 0 JJADMO CC[C@@H](NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001457545117 1066857091 /nfs/dbraw/zinc/85/70/91/1066857091.db2.gz QWFKZLIAQXLUFY-ZGOJTZKKSA-N 1 1 458.602 4.917 20 0 JJADMO CC[C@@H](NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001457545117 1066857101 /nfs/dbraw/zinc/85/71/01/1066857101.db2.gz QWFKZLIAQXLUFY-ZGOJTZKKSA-N 1 1 458.602 4.917 20 0 JJADMO CCC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)N3CC[N@@H+](CC(C)(C)O)[C@H](C)C3)c2C1 ZINC001447794986 1066859698 /nfs/dbraw/zinc/85/96/98/1066859698.db2.gz FYHVLAHUYFVQAR-WOJBJXKFSA-N 1 1 451.655 4.693 20 0 JJADMO CCCc1c(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nnn1-c1cccc(Cl)c1 ZINC001457554417 1066859840 /nfs/dbraw/zinc/85/98/40/1066859840.db2.gz ZBPLQCSVKKKLGO-QFIPXVFZSA-N 1 1 452.002 4.610 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c(Cc3c(F)cccc3F)nnc2N(CC(C)C)C(C)C)cn1 ZINC001492704300 1066862427 /nfs/dbraw/zinc/86/24/27/1066862427.db2.gz XSDRUFRDYZRPIG-UHFFFAOYSA-N 1 1 479.579 4.955 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(CC(C)(C)C)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001492704412 1066863115 /nfs/dbraw/zinc/86/31/15/1066863115.db2.gz BBIFSZDEHLVQAU-UHFFFAOYSA-N 1 1 487.693 4.688 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)s1 ZINC001492704431 1066863343 /nfs/dbraw/zinc/86/33/43/1066863343.db2.gz BPEOQKORSGDJJB-GOSISDBHSA-N 1 1 493.475 4.965 20 0 JJADMO Cc1ccc(OCCC(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c(Br)c1 ZINC001457564617 1066863531 /nfs/dbraw/zinc/86/35/31/1066863531.db2.gz KIUUIECQWBRPHM-HROJSSOGSA-N 1 1 459.428 4.799 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001492705535 1066865592 /nfs/dbraw/zinc/86/55/92/1066865592.db2.gz JBBLQUOTEOOBKD-KRWDZBQOSA-N 1 1 495.981 4.657 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)c1cccc(O)c1 ZINC001492705557 1066865606 /nfs/dbraw/zinc/86/56/06/1066865606.db2.gz JWLDRKFPMVIKNT-INIZCTEOSA-N 1 1 498.429 4.924 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@@H](C)C1 ZINC001492706242 1066867369 /nfs/dbraw/zinc/86/73/69/1066867369.db2.gz HQHAMKCHANLKQF-IRXDYDNUSA-N 1 1 493.439 4.763 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1 ZINC001492706253 1066867495 /nfs/dbraw/zinc/86/74/95/1066867495.db2.gz HTHGTTWJZWIXTF-LJQANCHMSA-N 1 1 454.594 4.854 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001492706394 1066868338 /nfs/dbraw/zinc/86/83/38/1066868338.db2.gz LVGQQZRYPFCMTD-AREMUKBSSA-N 1 1 486.611 4.774 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(COc2ccccc2F)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001492706622 1066869040 /nfs/dbraw/zinc/86/90/40/1066869040.db2.gz SXGIIIQBMDOEGH-NRFANRHFSA-N 1 1 484.620 4.765 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(Cl)c(F)c1 ZINC001492706574 1066869189 /nfs/dbraw/zinc/86/91/89/1066869189.db2.gz RKWCYENZOGIRNN-UHFFFAOYSA-N 1 1 467.980 4.678 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001492706703 1066869213 /nfs/dbraw/zinc/86/92/13/1066869213.db2.gz XCGOSWQIHRRHML-HSZRJFAPSA-N 1 1 484.620 4.765 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001492707168 1066870010 /nfs/dbraw/zinc/87/00/10/1066870010.db2.gz NCXILHRPCDGAIL-LJQANCHMSA-N 1 1 450.631 4.842 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@H](C)C1 ZINC001492707006 1066870045 /nfs/dbraw/zinc/87/00/45/1066870045.db2.gz IFYGJWCNHDVKKX-AWEZNQCLSA-N 1 1 463.811 4.802 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](CC(C)C)C1 ZINC001492707270 1066870662 /nfs/dbraw/zinc/87/06/62/1066870662.db2.gz QFIACEOQWUFHBK-KRWDZBQOSA-N 1 1 460.424 4.503 20 0 JJADMO CC[C@@H](C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cccc(C(F)(F)F)c1 ZINC001457583995 1066871443 /nfs/dbraw/zinc/87/14/43/1066871443.db2.gz MVIJTRIMIBPIJY-OAQYLSRUSA-N 1 1 453.936 4.791 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001492707749 1066871465 /nfs/dbraw/zinc/87/14/65/1066871465.db2.gz GQCPHPBSEDNNIH-UXHICEINSA-N 1 1 485.677 4.613 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001492708293 1066872112 /nfs/dbraw/zinc/87/21/12/1066872112.db2.gz WANXCHVUKRVBND-JAXLGGSGSA-N 1 1 485.677 4.613 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(C2CCCC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001492708350 1066872341 /nfs/dbraw/zinc/87/23/41/1066872341.db2.gz XFESATZKNSCKIU-IBGZPJMESA-N 1 1 485.677 4.661 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(CC(C)(C)C)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 ZINC001492708885 1066872986 /nfs/dbraw/zinc/87/29/86/1066872986.db2.gz OORMUCBSTQDLRN-UHFFFAOYSA-N 1 1 472.584 4.788 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(CC(C)C)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001492708856 1066873081 /nfs/dbraw/zinc/87/30/81/1066873081.db2.gz NWPSBKNFPTWQGH-OAQYLSRUSA-N 1 1 476.547 4.669 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(F)(F)F)CC1 ZINC001492709594 1066873720 /nfs/dbraw/zinc/87/37/20/1066873720.db2.gz NMSJXHXBCNZJKM-RTBURBONSA-N 1 1 468.568 4.571 20 0 JJADMO Cc1[nH+]ccn1CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001492709223 1066873920 /nfs/dbraw/zinc/87/39/20/1066873920.db2.gz BZYFLMAGSBQLRZ-WBVHZDCISA-N 1 1 466.483 4.541 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2cccc(Br)c2)nnc1N(C)CCc1cccs1 ZINC001492710056 1066874555 /nfs/dbraw/zinc/87/45/55/1066874555.db2.gz BQMOYXJOLPQOPK-UHFFFAOYSA-N 1 1 471.428 4.653 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CCC1CC1 ZINC001492710394 1066875191 /nfs/dbraw/zinc/87/51/91/1066875191.db2.gz NNSZCBURQHLNCS-UHFFFAOYSA-N 1 1 463.811 4.802 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001492710304 1066875210 /nfs/dbraw/zinc/87/52/10/1066875210.db2.gz KOTDWXUAGGZYLQ-OKILXGFUSA-N 1 1 463.811 4.658 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001492710562 1066876018 /nfs/dbraw/zinc/87/60/18/1066876018.db2.gz UNLMDPQKHDBXEZ-KBPBESRZSA-N 1 1 451.427 4.787 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](CC(C)C)C1 ZINC001492710604 1066876181 /nfs/dbraw/zinc/87/61/81/1066876181.db2.gz VTSUUOWJBKXTAY-QGZVFWFLSA-N 1 1 475.410 4.924 20 0 JJADMO Cc1[nH+]ccn1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001492711861 1066876895 /nfs/dbraw/zinc/87/68/95/1066876895.db2.gz IVWPUOGYZUNKOY-PMACEKPBSA-N 1 1 450.631 4.842 20 0 JJADMO Cc1nn(C)c(C)c1CN(C)c1nnc(CC(C)(C)C)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001492719459 1066888961 /nfs/dbraw/zinc/88/89/61/1066888961.db2.gz MOQLKNPUJSPJIJ-JOCHJYFZSA-N 1 1 472.081 4.810 20 0 JJADMO Cc1cc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)n(C)n1 ZINC001492724409 1066895480 /nfs/dbraw/zinc/89/54/80/1066895480.db2.gz CRPMTDHYIRSVRR-UHFFFAOYSA-N 1 1 490.483 4.899 20 0 JJADMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001448126008 1066902410 /nfs/dbraw/zinc/90/24/10/1066902410.db2.gz SYQZULJSRMSQRC-RBZQAINGSA-N 1 1 457.659 4.542 20 0 JJADMO COc1cc(/C=C(\C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c2ccccc2)ccc1O ZINC001448128599 1066903005 /nfs/dbraw/zinc/90/30/05/1066903005.db2.gz UYWUFWORCOJART-XCGQMGKMSA-N 1 1 456.586 4.968 20 0 JJADMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001448128286 1066903208 /nfs/dbraw/zinc/90/32/08/1066903208.db2.gz XHVNUZOKQWBZIU-QTJGBDASSA-N 1 1 459.675 4.933 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)C3CCC(C)CC3)n2CCCC[N@H+]2CCCC[C@H]2C)n1 ZINC001492733518 1066907022 /nfs/dbraw/zinc/90/70/22/1066907022.db2.gz MBLHICPZEISIGA-DJSMFCCRSA-N 1 1 455.695 4.809 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)cc3)n2CCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC001492735920 1066909836 /nfs/dbraw/zinc/90/98/36/1066909836.db2.gz OKXGDAIWSCJWOH-NRFANRHFSA-N 1 1 467.637 4.570 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)C3CCCCC3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)n1 ZINC001492740101 1066915007 /nfs/dbraw/zinc/91/50/07/1066915007.db2.gz IQHAHQWCJHNSSQ-PMOQBDJRSA-N 1 1 455.695 4.665 20 0 JJADMO O=C(NCCOc1ncc(Cl)cc1Cl)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001457779549 1066917803 /nfs/dbraw/zinc/91/78/03/1066917803.db2.gz CNULWPUJAINGOT-LEWJYISDSA-N 1 1 462.421 4.822 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)n2CC(C)(C)C(C)C)n1 ZINC001492753009 1066926369 /nfs/dbraw/zinc/92/63/69/1066926369.db2.gz IROQUHIOKHXFQC-QHCPKHFHSA-N 1 1 463.674 4.533 20 0 JJADMO CCc1ccc([C@@H]2CN(C(=O)CCc3nc4cc(Br)ccc4s3)CC[NH2+]2)cc1 ZINC001448447995 1066928361 /nfs/dbraw/zinc/92/83/61/1066928361.db2.gz ICJQRWXQKAMLNK-IBGZPJMESA-N 1 1 458.425 4.727 20 0 JJADMO C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 ZINC001457825800 1066929000 /nfs/dbraw/zinc/92/90/00/1066929000.db2.gz PPTXMRLLJQRHLL-YMPZKCBVSA-N 1 1 461.622 4.547 20 0 JJADMO O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)c1ccc(OC(F)F)cc1F ZINC001457828315 1066929313 /nfs/dbraw/zinc/92/93/13/1066929313.db2.gz MGLALBVZHNDIBA-UHFFFAOYSA-N 1 1 457.290 4.584 20 0 JJADMO Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC001448465236 1066930422 /nfs/dbraw/zinc/93/04/22/1066930422.db2.gz LORWCKCBNHSEKQ-ZJSXRUAMSA-N 1 1 451.517 4.568 20 0 JJADMO Cc1c[nH+]ccc1OC1CCN(C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC001448536586 1066936732 /nfs/dbraw/zinc/93/67/32/1066936732.db2.gz QPBCYHAQMKLOEM-LJQANCHMSA-N 1 1 451.567 4.689 20 0 JJADMO Cc1nnc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CCc1ccc(Br)s1 ZINC001492776498 1066946591 /nfs/dbraw/zinc/94/65/91/1066946591.db2.gz AQFLPMYDIHLXRI-IBGZPJMESA-N 1 1 474.472 4.754 20 0 JJADMO Cc1nnc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CCc1nc(C(C)(C)C)cs1 ZINC001492777471 1066946990 /nfs/dbraw/zinc/94/69/90/1066946990.db2.gz XAGRYBMMXQWGMY-NRFANRHFSA-N 1 1 452.672 4.684 20 0 JJADMO Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001448777132 1066957188 /nfs/dbraw/zinc/95/71/88/1066957188.db2.gz UOQPWMLWNLZFMN-LJQANCHMSA-N 1 1 451.954 4.746 20 0 JJADMO O=C(CCc1c2cc(Br)ccc2[nH]c1-c1ccccc1)NCC[N@@H+]1CC=CCC1 ZINC001448790403 1066958149 /nfs/dbraw/zinc/95/81/49/1066958149.db2.gz WTWHBNMRCQUADW-UHFFFAOYSA-N 1 1 452.396 4.908 20 0 JJADMO Cc1nnc(N2CCO[C@H](c3ccccc3Br)C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001492948989 1066961836 /nfs/dbraw/zinc/96/18/36/1066961836.db2.gz OMOPHYDZLYNLKN-QFIPXVFZSA-N 1 1 476.463 4.582 20 0 JJADMO CC[C@@H](c1nnc(N(C)[C@H](C)c2ccco2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545717876 1066972373 /nfs/dbraw/zinc/97/23/73/1066972373.db2.gz SXJFTCSWPPAHFX-GMKZXUHWSA-N 1 1 465.642 4.967 20 0 JJADMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)CCOc1ccc(F)c(Cl)c1 ZINC001458094460 1066973246 /nfs/dbraw/zinc/97/32/46/1066973246.db2.gz OZISWVMLFNJTFS-LJQANCHMSA-N 1 1 456.949 4.839 20 0 JJADMO CC[C@H](c1nnc(N(C)Cc2c(C)noc2C)n1C[C@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC001545721543 1066975781 /nfs/dbraw/zinc/97/57/81/1066975781.db2.gz BTRCLACRDWKHKQ-PKTZIBPZSA-N 1 1 450.631 4.936 20 0 JJADMO CC[C@H](c1nnc(N(C)Cc2c(C)nn(C)c2C)n1CC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001545722656 1066978596 /nfs/dbraw/zinc/97/85/96/1066978596.db2.gz YKGQZWAWDHHDSI-YKSBVNFPSA-N 1 1 463.674 4.539 20 0 JJADMO CC[C@H](c1nnc(N(C)Cc2cnn(C)c2C)n1CC[N@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001545722693 1066978833 /nfs/dbraw/zinc/97/88/33/1066978833.db2.gz YXWNHUDPGVCYKE-DEOSSOPVSA-N 1 1 463.674 4.620 20 0 JJADMO C[NH+](C)CCOc1ccc(CCC(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)cc1 ZINC001458119181 1066981008 /nfs/dbraw/zinc/98/10/08/1066981008.db2.gz PMWPNIZQTLHUOV-UHFFFAOYSA-N 1 1 455.562 4.650 20 0 JJADMO C[NH+](C)CCOc1ccc(CCC(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)cc1 ZINC001458119181 1066981019 /nfs/dbraw/zinc/98/10/19/1066981019.db2.gz PMWPNIZQTLHUOV-UHFFFAOYSA-N 1 1 455.562 4.650 20 0 JJADMO CC[C@@H](c1nnc(N(C)Cc2ccsc2)n1C[C@H](C)[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001545724661 1066981531 /nfs/dbraw/zinc/98/15/31/1066981531.db2.gz VEJQKIUFKGJKPM-XUZZJYLKSA-N 1 1 466.699 4.544 20 0 JJADMO Cc1cc(NC(=O)COc2c(Cl)cccc2Cl)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC001458125293 1066983182 /nfs/dbraw/zinc/98/31/82/1066983182.db2.gz OUEVUKZNTXNYPC-SFHVURJKSA-N 1 1 459.377 4.963 20 0 JJADMO CC[C@H](c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545726618 1066983823 /nfs/dbraw/zinc/98/38/23/1066983823.db2.gz UGYSZTITMQAGQZ-FBVFYYEHSA-N 1 1 483.701 4.569 20 0 JJADMO CC[C@H](c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545726618 1066983833 /nfs/dbraw/zinc/98/38/33/1066983833.db2.gz UGYSZTITMQAGQZ-FBVFYYEHSA-N 1 1 483.701 4.569 20 0 JJADMO CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001449175419 1066987412 /nfs/dbraw/zinc/98/74/12/1066987412.db2.gz OUPMJWLGPNZMKB-XZOQPEGZSA-N 1 1 455.643 4.585 20 0 JJADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)CSCc3coc(-c4ccccc4)n3)C2)s1 ZINC001449179388 1066987904 /nfs/dbraw/zinc/98/79/04/1066987904.db2.gz WMTUNERECHIKTI-LJQANCHMSA-N 1 1 455.649 4.925 20 0 JJADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC001449176929 1066987953 /nfs/dbraw/zinc/98/79/53/1066987953.db2.gz QHYIOVGPFWDZIN-QKNQBKEWSA-N 1 1 451.677 4.522 20 0 JJADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)CCc3nnc(-c4ccc(Cl)cc4)o3)C2)s1 ZINC001449179766 1066988064 /nfs/dbraw/zinc/98/80/64/1066988064.db2.gz YHUORMIRMHIOTO-QGZVFWFLSA-N 1 1 459.015 4.673 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1Cc1ccnc(OC(F)F)c1)c1ccccc1 ZINC001545730568 1066988407 /nfs/dbraw/zinc/98/84/07/1066988407.db2.gz BQIXXGSWKNPKGO-NNMXDRDESA-N 1 1 484.595 4.784 20 0 JJADMO CCOC(=O)c1sc2nc(C)nc(N3CCC[N@@H+](CCCc4ccccc4)CC3)c2c1C ZINC001458153590 1066989546 /nfs/dbraw/zinc/98/95/46/1066989546.db2.gz UXUUTDQISLUMJF-UHFFFAOYSA-N 1 1 452.624 4.630 20 0 JJADMO Cc1ccc(O[C@@H](C)C(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)c(Br)c1 ZINC001449228756 1066991330 /nfs/dbraw/zinc/99/13/30/1066991330.db2.gz OAJIXPQKUUZIRQ-FXAWDEMLSA-N 1 1 457.368 4.765 20 0 JJADMO O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC001449232360 1066991848 /nfs/dbraw/zinc/99/18/48/1066991848.db2.gz WOORMGBXORKMNA-FQEVSTJZSA-N 1 1 454.452 4.745 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001545731898 1066992113 /nfs/dbraw/zinc/99/21/13/1066992113.db2.gz UUSWAGQKGGTGGE-KYPHJKQUSA-N 1 1 480.745 4.966 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@@H](CC)[C@H]([NH+]3CCOCC3)C2)n1CC(C)(C)SC)c1ccccc1 ZINC001545731837 1066992196 /nfs/dbraw/zinc/99/21/96/1066992196.db2.gz SXSNKABWKNVHRN-YMPZKCBVSA-N 1 1 471.715 4.509 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(C(=O)NC)CC2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545733624 1066995768 /nfs/dbraw/zinc/99/57/68/1066995768.db2.gz FHVKMZGHJUOHQT-MVERNJQCSA-N 1 1 494.728 4.541 20 0 JJADMO CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001449355578 1067002829 /nfs/dbraw/zinc/00/28/29/1067002829.db2.gz LUPAMRRWNZMAJC-QGZVFWFLSA-N 1 1 459.434 4.990 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C[C@H]1CCCOC1)c1ccccc1 ZINC001545739243 1067004739 /nfs/dbraw/zinc/00/47/39/1067004739.db2.gz WKSAZJNCPQRZIK-ILBGXUMGSA-N 1 1 453.675 4.803 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CC(=O)NC1CCCCC1)c1ccccc1 ZINC001545739375 1067005079 /nfs/dbraw/zinc/00/50/79/1067005079.db2.gz YYSKPMCJJBPYQN-AREMUKBSSA-N 1 1 494.728 4.826 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(N3CCCCC3=O)CC2)n1CC[N@@H+](CC)C(C)C)c1ccccc1 ZINC001545740695 1067005641 /nfs/dbraw/zinc/00/56/41/1067005641.db2.gz BZFPKUZSMVDBMW-RUZDIDTESA-N 1 1 480.701 4.532 20 0 JJADMO CC[C@H](c1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC001545740640 1067005937 /nfs/dbraw/zinc/00/59/37/1067005937.db2.gz BBBPJPKMBWSHRV-YKSBVNFPSA-N 1 1 496.700 4.796 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CC[N@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001545743331 1067009849 /nfs/dbraw/zinc/00/98/49/1067009849.db2.gz HVSMSXXCHIXVCW-OAQYLSRUSA-N 1 1 493.618 4.836 20 0 JJADMO COc1ccc(CCCCC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1OC ZINC001458242605 1067010340 /nfs/dbraw/zinc/01/03/40/1067010340.db2.gz GMHVHJXCWRVQBH-ISJGIBHGSA-N 1 1 450.623 4.834 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@@](C)(OC)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545745909 1067013131 /nfs/dbraw/zinc/01/31/31/1067013131.db2.gz ICTHKXLLYGLKKR-BXTSTYNKSA-N 1 1 483.701 4.572 20 0 JJADMO CC[C@H](c1nnc(N2CCC=C(Br)C2)n1CC[N@@H+](CC)C1CC1)c1ccccc1 ZINC001545745965 1067013664 /nfs/dbraw/zinc/01/36/64/1067013664.db2.gz IPQXONULJURULJ-NRFANRHFSA-N 1 1 458.448 4.793 20 0 JJADMO CC[C@H](c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC001545746748 1067015649 /nfs/dbraw/zinc/01/56/49/1067015649.db2.gz UJOMZHQAYJRDFT-SFTDATJTSA-N 1 1 479.591 4.710 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC001545748485 1067017197 /nfs/dbraw/zinc/01/71/97/1067017197.db2.gz BDQCBYBJPITTPC-GVAUOCQISA-N 1 1 494.728 4.681 20 0 JJADMO C[C@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)CCCC(=O)c1ccccc1 ZINC001449611568 1067017999 /nfs/dbraw/zinc/01/79/99/1067017999.db2.gz XEUUPJJYTHFGGM-KRWDZBQOSA-N 1 1 458.400 4.581 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)C(C)C)c1ccccc1 ZINC001545749339 1067019616 /nfs/dbraw/zinc/01/96/16/1067019616.db2.gz MZHRYJBXIPJRQH-BJKOFHAPSA-N 1 1 498.716 4.996 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1C[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC001545750051 1067022106 /nfs/dbraw/zinc/02/21/06/1067022106.db2.gz XMJBRCSFSJWYPW-ICDZXHCJSA-N 1 1 483.701 4.572 20 0 JJADMO CCSCc1ccc(NC(=O)[C@@H](C[N@@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC001449732468 1067023672 /nfs/dbraw/zinc/02/36/72/1067023672.db2.gz NEFHRFJLJWDGPI-JOCHJYFZSA-N 1 1 457.640 4.904 20 0 JJADMO CC[C@H](c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CC[N@H+]1CCCC[C@H]1CC)c1ccccc1 ZINC001545751628 1067024535 /nfs/dbraw/zinc/02/45/35/1067024535.db2.gz JDVCETDRQKGMLC-FTJBHMTQSA-N 1 1 494.728 4.779 20 0 JJADMO CC[C@@H](c1nnc(N2CCCCCCC2)n1CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC001545751708 1067025195 /nfs/dbraw/zinc/02/51/95/1067025195.db2.gz KEYGWIYMXXFZJX-JWQCQUIFSA-N 1 1 453.675 4.827 20 0 JJADMO C[C@@H](Nc1nc(C(F)(F)F)ccc1I)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001458309257 1067026388 /nfs/dbraw/zinc/02/63/88/1067026388.db2.gz IJEIQCIYNJTWNU-VXGBXAGGSA-N 1 1 453.290 4.770 20 0 JJADMO C[C@@H](Nc1nc(C(F)(F)F)ccc1I)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001458309249 1067026463 /nfs/dbraw/zinc/02/64/63/1067026463.db2.gz IJEIQCIYNJTWNU-NEPJUHHUSA-N 1 1 453.290 4.770 20 0 JJADMO C[C@H](Nc1nc(C(F)(F)F)ccc1I)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001458309252 1067026559 /nfs/dbraw/zinc/02/65/59/1067026559.db2.gz IJEIQCIYNJTWNU-NWDGAFQWSA-N 1 1 453.290 4.770 20 0 JJADMO CC[C@H](Cn1c(N2CC[C@@H]3CC[N@H+](Cc4ccccc4)[C@H]32)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546016653 1067026922 /nfs/dbraw/zinc/02/69/22/1067026922.db2.gz IBBJAQFXYLALTC-ZRBLBEILSA-N 1 1 496.700 4.937 20 0 JJADMO CC[C@H](Cn1c(N2CC[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H]32)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546016653 1067026933 /nfs/dbraw/zinc/02/69/33/1067026933.db2.gz IBBJAQFXYLALTC-ZRBLBEILSA-N 1 1 496.700 4.937 20 0 JJADMO FC(F)(F)c1nc(NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)sc1Br ZINC001458313444 1067027528 /nfs/dbraw/zinc/02/75/28/1067027528.db2.gz MJMKPQWQVSKURO-LBPRGKRZSA-N 1 1 452.365 4.954 20 0 JJADMO FC(F)(F)c1nc(NC[C@H]2CSCC[N@H+]2Cc2ccccc2)sc1Br ZINC001458313444 1067027543 /nfs/dbraw/zinc/02/75/43/1067027543.db2.gz MJMKPQWQVSKURO-LBPRGKRZSA-N 1 1 452.365 4.954 20 0 JJADMO CC[C@@H](c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC001545752549 1067028876 /nfs/dbraw/zinc/02/88/76/1067028876.db2.gz ZAKBIAORTOLDEM-AZGAKELHSA-N 1 1 494.728 4.635 20 0 JJADMO CC[C@H](Cn1c(N2CC[NH+](Cc3ccsc3)CC2)nnc1C(C)(C)C)Oc1cccc(F)c1 ZINC001546017351 1067029957 /nfs/dbraw/zinc/02/99/57/1067029957.db2.gz SSFCYSFFZPRPOR-OAQYLSRUSA-N 1 1 471.646 4.956 20 0 JJADMO CC[C@@H](c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545756482 1067034096 /nfs/dbraw/zinc/03/40/96/1067034096.db2.gz IPRFAQNZFMVXPP-ZJSXRUAMSA-N 1 1 496.700 4.655 20 0 JJADMO Cn1c(C(=O)N2CC[N@@H+](C)C3(CCCCC3)C2)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001449886191 1067034353 /nfs/dbraw/zinc/03/43/53/1067034353.db2.gz AUJSIQFRBAMIPY-NRFANRHFSA-N 1 1 458.647 4.578 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001449899028 1067035321 /nfs/dbraw/zinc/03/53/21/1067035321.db2.gz KRLVZCMAEMETBQ-AGILITTLSA-N 1 1 473.633 4.690 20 0 JJADMO CC[C@@H](c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC001545758157 1067036353 /nfs/dbraw/zinc/03/63/53/1067036353.db2.gz ASPNJLXQBPKILA-AKIFATBCSA-N 1 1 492.634 4.767 20 0 JJADMO Cc1sc2nc(C)nc(SCC(=O)N[C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2c1C ZINC001458345908 1067037031 /nfs/dbraw/zinc/03/70/31/1067037031.db2.gz DDKYOLXPHMMABH-UZLBHIALSA-N 1 1 454.665 4.735 20 0 JJADMO CC[C@@H](c1nnc(N2CCN(CC)[C@H](C)C2)n1CC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC001545758412 1067037708 /nfs/dbraw/zinc/03/77/08/1067037708.db2.gz GSTSANMXHYERRQ-ISKFKSNPSA-N 1 1 452.691 4.615 20 0 JJADMO CC[C@H](c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCCC(F)(F)F)c1ccccc1 ZINC001545758397 1067037742 /nfs/dbraw/zinc/03/77/42/1067037742.db2.gz GGZOXABYQZOCGN-UGKGYDQZSA-N 1 1 479.591 4.852 20 0 JJADMO Cc1cccc(CNC(=O)c2ccc(C(=O)N[C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)c1 ZINC001458349576 1067039208 /nfs/dbraw/zinc/03/92/08/1067039208.db2.gz MYAJZLQKCSSOLF-AJTFRIOCSA-N 1 1 455.602 4.565 20 0 JJADMO CC[C@@H](c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CC[N@@H+](CC)C(C)C)c1ccccc1 ZINC001545758642 1067039347 /nfs/dbraw/zinc/03/93/47/1067039347.db2.gz KIXXVHJJTULBQJ-RUZDIDTESA-N 1 1 480.701 4.532 20 0 JJADMO CC[C@@H](c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CC[N@@H+](C)C1CCCC1)c1ccccc1 ZINC001545760912 1067044302 /nfs/dbraw/zinc/04/43/02/1067044302.db2.gz KLBQWNYJQHHHFC-DNQXCXABSA-N 1 1 453.675 4.946 20 0 JJADMO CC[C@H](c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CC[N@@H+](C)C1CCCC1)c1ccccc1 ZINC001545760914 1067044362 /nfs/dbraw/zinc/04/43/62/1067044362.db2.gz KLBQWNYJQHHHFC-ZEQRLZLVSA-N 1 1 453.675 4.946 20 0 JJADMO CC(C)(C)OC(=O)N(CCC(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)CC1CC1 ZINC001450080359 1067048171 /nfs/dbraw/zinc/04/81/71/1067048171.db2.gz XOUGOYADIAYPRU-UHFFFAOYSA-N 1 1 450.583 4.620 20 0 JJADMO CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)CN(C(=O)OC(C)(C)C)C(C)C ZINC001450107371 1067049249 /nfs/dbraw/zinc/04/92/49/1067049249.db2.gz AWUVBNNUPCANKT-DEOSSOPVSA-N 1 1 459.675 4.824 20 0 JJADMO Cc1cc(O[C@H](C)C(=O)NCCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)ccc1Cl ZINC001458396113 1067050685 /nfs/dbraw/zinc/05/06/85/1067050685.db2.gz NSCVUDCRGWTPPJ-QHAWAJNXSA-N 1 1 459.030 4.741 20 0 JJADMO CC[C@@H](c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)C1CCCC1)c1ccccc1 ZINC001545765837 1067050909 /nfs/dbraw/zinc/05/09/09/1067050909.db2.gz IULSEEIYUZBSSX-ISKFKSNPSA-N 1 1 496.700 4.798 20 0 JJADMO O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)C1(c2cccc(Br)c2)CCCCC1 ZINC001450123778 1067051123 /nfs/dbraw/zinc/05/11/23/1067051123.db2.gz ZIQLCLZDRADXDB-QFIPXVFZSA-N 1 1 457.412 4.856 20 0 JJADMO CC[C@@]1(C)CN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CCO1 ZINC001546100345 1067054942 /nfs/dbraw/zinc/05/49/42/1067054942.db2.gz XFTGWDJLGKQFFY-NAKRPHOHSA-N 1 1 467.702 4.827 20 0 JJADMO CC[C@@]1(C)CN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC[N@@H+](C)C(C)C)CCO1 ZINC001546100397 1067055458 /nfs/dbraw/zinc/05/54/58/1067055458.db2.gz YLHAYDRARLIRCC-SANMLTNESA-N 1 1 457.663 4.634 20 0 JJADMO Cc1cc(Br)ccc1CC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458444656 1067061791 /nfs/dbraw/zinc/06/17/91/1067061791.db2.gz AJDFYQDMWPNBDW-KKSFZXQISA-N 1 1 453.783 4.902 20 0 JJADMO COc1ccc(Br)cc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458447257 1067063150 /nfs/dbraw/zinc/06/31/50/1067063150.db2.gz KPYREPLZYHWMJK-DJJJIMSYSA-N 1 1 455.755 4.673 20 0 JJADMO CCC(CC)(Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[NH+](CCOC)CC1)SC ZINC001545773102 1067063446 /nfs/dbraw/zinc/06/34/46/1067063446.db2.gz WSGOHXIMIOLQFM-LJQANCHMSA-N 1 1 491.771 4.822 20 0 JJADMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458448232 1067063709 /nfs/dbraw/zinc/06/37/09/1067063709.db2.gz NOGCCJLWHBAHSS-DENIHFKCSA-N 1 1 459.993 4.564 20 0 JJADMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458449650 1067064213 /nfs/dbraw/zinc/06/42/13/1067064213.db2.gz SGHYEGFFYYQGOK-UGKGYDQZSA-N 1 1 459.993 4.678 20 0 JJADMO C[N@H+]1CC[C@@H](CNC(=O)c2cnc(OCC3CC3)c(Cl)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458449002 1067064572 /nfs/dbraw/zinc/06/45/72/1067064572.db2.gz QVPFNPVUFCDQPL-YWZLYKJASA-N 1 1 452.357 4.739 20 0 JJADMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458449638 1067064769 /nfs/dbraw/zinc/06/47/69/1067064769.db2.gz SGHYEGFFYYQGOK-KNQAVFIVSA-N 1 1 459.993 4.678 20 0 JJADMO CCOc1ccc([C@@H](O)C2CCN(C(=O)[C@H]3CCCC[N@@H+]3Cc3cccc(F)c3)CC2)cc1 ZINC001450418033 1067078930 /nfs/dbraw/zinc/07/89/30/1067078930.db2.gz VCNBWKOKUBJXRT-CLJLJLNGSA-N 1 1 454.586 4.551 20 0 JJADMO CCOc1ccc([C@@H](O)C2CCN(C(=O)[C@H]3CCCC[N@H+]3Cc3cccc(F)c3)CC2)cc1 ZINC001450418033 1067078945 /nfs/dbraw/zinc/07/89/45/1067078945.db2.gz VCNBWKOKUBJXRT-CLJLJLNGSA-N 1 1 454.586 4.551 20 0 JJADMO CC[C@@]1(C)CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCCn2cc[nH+]c2C)CCO1 ZINC001546101798 1067082701 /nfs/dbraw/zinc/08/27/01/1067082701.db2.gz LOIQHEFZJJELRE-QHCPKHFHSA-N 1 1 493.439 4.764 20 0 JJADMO O=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001458547683 1067085714 /nfs/dbraw/zinc/08/57/14/1067085714.db2.gz HZGSVAKUWFPTAO-FCHUYYIVSA-N 1 1 480.552 4.857 20 0 JJADMO CC1(C)CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)C[C@H](C(F)(F)F)O1 ZINC001450511710 1067085848 /nfs/dbraw/zinc/08/58/48/1067085848.db2.gz KLLBSIATLFGBFI-QWFCFKBJSA-N 1 1 452.542 4.532 20 0 JJADMO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001450524703 1067086140 /nfs/dbraw/zinc/08/61/40/1067086140.db2.gz QFLUSQQCBFJQFC-QGZVFWFLSA-N 1 1 450.549 4.634 20 0 JJADMO CCC(CC)(Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)SC ZINC001545791403 1067088664 /nfs/dbraw/zinc/08/86/64/1067088664.db2.gz QYAMJASELLNLCS-UNMCSNQZSA-N 1 1 471.715 4.667 20 0 JJADMO CCC(CC)(Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[N@H+](C(C)C)CC1)OC ZINC001545792981 1067091863 /nfs/dbraw/zinc/09/18/63/1067091863.db2.gz SKBWPCWHUWSIPC-UHFFFAOYSA-N 1 1 457.663 4.600 20 0 JJADMO CC(C)c1c(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC001450608365 1067094943 /nfs/dbraw/zinc/09/49/43/1067094943.db2.gz KPBFXELYEFGORM-QGZVFWFLSA-N 1 1 459.516 4.660 20 0 JJADMO CC[C@@]1(C)CN(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001546102360 1067095187 /nfs/dbraw/zinc/09/51/87/1067095187.db2.gz WXTBDWDDRTVYQY-TYPXCFOJSA-N 1 1 499.700 4.628 20 0 JJADMO COc1ccc(CN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[C@H](C)C2CC2)c(OC)c1 ZINC001450710025 1067108884 /nfs/dbraw/zinc/10/88/84/1067108884.db2.gz ILNJFFCQZPOIQD-AUSIDOKSSA-N 1 1 454.586 4.882 20 0 JJADMO CCC(CC)[C@@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@H+]2CCCC[C@H]2C1)OC ZINC001545803188 1067112061 /nfs/dbraw/zinc/11/20/61/1067112061.db2.gz JEJRLWZRBITBKQ-OLKYXYMISA-N 1 1 475.722 4.713 20 0 JJADMO C[C@@H]1[C@H](NC(=O)[C@@H](F)CN(Cc2ccccc2)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001450801323 1067122619 /nfs/dbraw/zinc/12/26/19/1067122619.db2.gz SDIBCVDOYWYHJD-KEKPKEOLSA-N 1 1 459.609 4.806 20 0 JJADMO Cc1[nH]c(CSc2nnc(CN3CCCCC3)n2-c2ccccc2C(F)(F)F)c(C)[nH+]1 ZINC001458749328 1067130951 /nfs/dbraw/zinc/13/09/51/1067130951.db2.gz AQFKCGKQHOROIR-UHFFFAOYSA-N 1 1 450.534 4.904 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NC[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)CCC[C@H]12 ZINC001450846547 1067131177 /nfs/dbraw/zinc/13/11/77/1067131177.db2.gz JUYJXMIFXIUYKE-QSEAXJEQSA-N 1 1 455.643 4.585 20 0 JJADMO Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NC[C@@H]1CCCC[N@@H+](Cc3ccccc3)C1)O2 ZINC001450846920 1067131793 /nfs/dbraw/zinc/13/17/93/1067131793.db2.gz KQYWCKDPLOZBSC-FIPFOOKPSA-N 1 1 450.623 4.820 20 0 JJADMO CCC1(CC)CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001546103292 1067133486 /nfs/dbraw/zinc/13/34/86/1067133486.db2.gz FVKLFHUTCRAZCX-XUZZJYLKSA-N 1 1 487.664 4.931 20 0 JJADMO CCNc1ncc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1Cl ZINC001451110219 1067146617 /nfs/dbraw/zinc/14/66/17/1067146617.db2.gz MSKNWNMCECYTNX-JTHBVZDNSA-N 1 1 452.961 4.704 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1 ZINC001458838322 1067166293 /nfs/dbraw/zinc/16/62/93/1067166293.db2.gz CMCUUXMGKVQJCD-ZJSXRUAMSA-N 1 1 456.030 4.659 20 0 JJADMO CCC(CC)c1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)on1 ZINC001545823388 1067166424 /nfs/dbraw/zinc/16/64/24/1067166424.db2.gz KWBUCECIWZYSGR-SJORKVTESA-N 1 1 472.037 4.852 20 0 JJADMO CCOc1ccc(-c2nnc(SC[C@@H](C)C[NH+]3CCOCC3)n2-c2ccccc2F)cc1 ZINC001458851357 1067172544 /nfs/dbraw/zinc/17/25/44/1067172544.db2.gz GQIKXCMMIGEPQR-SFHVURJKSA-N 1 1 456.587 4.533 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)c(F)c2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001545826144 1067173454 /nfs/dbraw/zinc/17/34/54/1067173454.db2.gz GZRUGUWXSXVEQW-VGSWGCGISA-N 1 1 490.643 4.793 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2F)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001545826999 1067177313 /nfs/dbraw/zinc/17/73/13/1067177313.db2.gz YQNPQCKGVFEBKB-RXVVDRJESA-N 1 1 470.637 4.550 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001451585666 1067179696 /nfs/dbraw/zinc/17/96/96/1067179696.db2.gz JFDVQGASNSIHGF-DDKRZIBASA-N 1 1 469.670 4.734 20 0 JJADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc2c(ccc(Br)c2C)[nH]1 ZINC001451642307 1067181836 /nfs/dbraw/zinc/18/18/36/1067181836.db2.gz RXDVGIYEJCMLGZ-WZONZLPQSA-N 1 1 470.411 4.506 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc3cnccc3c2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001545836132 1067188483 /nfs/dbraw/zinc/18/84/83/1067188483.db2.gz CODIYVNOPNDYAM-UHFFFAOYSA-N 1 1 491.684 4.503 20 0 JJADMO Cc1cc(CNC(=O)OC(C)(C)C)cc(NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)c1 ZINC001451934055 1067199429 /nfs/dbraw/zinc/19/94/29/1067199429.db2.gz JLCWQKWDYVHNHG-QHCPKHFHSA-N 1 1 451.611 4.913 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001545849154 1067202680 /nfs/dbraw/zinc/20/26/80/1067202680.db2.gz LBZRQFPQCVNMNG-SFTDATJTSA-N 1 1 460.711 4.581 20 0 JJADMO CC(C)N(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001452137923 1067208751 /nfs/dbraw/zinc/20/87/51/1067208751.db2.gz SDTPUHUWOZMMBY-NRFANRHFSA-N 1 1 453.583 4.864 20 0 JJADMO CCC(O)(CC)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001546039744 1067230078 /nfs/dbraw/zinc/23/00/78/1067230078.db2.gz JNZFDLLHIGYOPI-RPWUZVMVSA-N 1 1 483.701 4.807 20 0 JJADMO Cc1c(Br)scc1C(=O)N(C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001452691757 1067244427 /nfs/dbraw/zinc/24/44/27/1067244427.db2.gz MZTJRHKXFFDTDB-GASCZTMLSA-N 1 1 451.430 4.700 20 0 JJADMO CC(C)(C)c1ccc(OCc2ccc(C(=O)N[C@H]3C[C@@H]([NH+]4CCOCC4)C3(C)C)cc2)cc1 ZINC001452714142 1067245941 /nfs/dbraw/zinc/24/59/41/1067245941.db2.gz NDRRCOXCZXTWIX-LOSJGSFVSA-N 1 1 450.623 4.792 20 0 JJADMO CC1(C)[C@H](NC(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)C[C@@H]1[NH+]1CCOCC1 ZINC001452714115 1067246031 /nfs/dbraw/zinc/24/60/31/1067246031.db2.gz MXLFDRFAMUCPFD-RTWAWAEBSA-N 1 1 450.476 4.741 20 0 JJADMO Cc1ccc(C(=O)CCC(=O)CCC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)s1 ZINC001452768153 1067250232 /nfs/dbraw/zinc/25/02/32/1067250232.db2.gz HQSGSVSZYOAVRK-JBACZVJFSA-N 1 1 454.636 4.879 20 0 JJADMO Cc1ccc(C(=O)CCC(=O)CCC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)s1 ZINC001452768153 1067250239 /nfs/dbraw/zinc/25/02/39/1067250239.db2.gz HQSGSVSZYOAVRK-JBACZVJFSA-N 1 1 454.636 4.879 20 0 JJADMO COc1ccc([C@@H]2CCCN2C(=O)CS[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC001459139625 1067258961 /nfs/dbraw/zinc/25/89/61/1067258961.db2.gz BSOBIQMAPKGTGC-VWNXMTODSA-N 1 1 454.636 4.765 20 0 JJADMO O=C(NC[C@H](c1ccccc1)C(F)(F)F)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001459186308 1067268179 /nfs/dbraw/zinc/26/81/79/1067268179.db2.gz QZGQHEYAFCZWSU-RBZQAINGSA-N 1 1 453.508 4.760 20 0 JJADMO O=C(NCc1ccc(F)cc1Br)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001459243838 1067276658 /nfs/dbraw/zinc/27/66/58/1067276658.db2.gz QKROZQDNNAPPAW-LJQANCHMSA-N 1 1 459.281 4.659 20 0 JJADMO C[C@H](SC1CCC(c2ccccc2)CC1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC001459259176 1067278841 /nfs/dbraw/zinc/27/88/41/1067278841.db2.gz MWWCZGNNUTVIQB-PMWKKSSLSA-N 1 1 452.664 4.983 20 0 JJADMO C[C@@H]1CCc2c(sc3nc(CC[N@@H+](C)Cc4cc(Br)cs4)nc(N)c23)C1 ZINC001459307825 1067289777 /nfs/dbraw/zinc/28/97/77/1067289777.db2.gz GRMDJZPJTYLWAK-LLVKDONJSA-N 1 1 451.459 4.897 20 0 JJADMO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C[N@H+]1CCC[C@@H]1c1cccc(Br)c1)O2 ZINC001459316673 1067292131 /nfs/dbraw/zinc/29/21/31/1067292131.db2.gz BKUWTBAYIPROHA-RTBURBONSA-N 1 1 451.405 4.755 20 0 JJADMO CCC[N@@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)[C@H](C)c1cc2ccccc2o1 ZINC001459342831 1067298700 /nfs/dbraw/zinc/29/87/00/1067298700.db2.gz GJMSLKUETXFMLI-QGZVFWFLSA-N 1 1 451.523 4.715 20 0 JJADMO Cc1nc(NC(=O)CN2CCC[N@@H+](CC3CCCCC3)CC2)sc1Cc1ccc(C)cc1 ZINC001459344086 1067298947 /nfs/dbraw/zinc/29/89/47/1067298947.db2.gz MWDZQOCTIFXCJV-UHFFFAOYSA-N 1 1 454.684 4.877 20 0 JJADMO CC(C)(C)OC(=O)N1CCO[C@H](c2ccc(NC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)cc2)C1 ZINC001453394978 1067302860 /nfs/dbraw/zinc/30/28/60/1067302860.db2.gz GBLDHGUMHTWALG-GOTSBHOMSA-N 1 1 457.615 4.731 20 0 JJADMO CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(NC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)cc2)C1 ZINC001453394993 1067303683 /nfs/dbraw/zinc/30/36/83/1067303683.db2.gz GBLDHGUMHTWALG-XZOQPEGZSA-N 1 1 457.615 4.731 20 0 JJADMO CC(C)[N@H+](CCS(=O)(=O)CC(=O)OC(C)(C)C)Cc1ccc(-c2cccc(F)c2)s1 ZINC001459369110 1067304815 /nfs/dbraw/zinc/30/48/15/1067304815.db2.gz XPCZVKJNVLYZIA-UHFFFAOYSA-N 1 1 455.617 4.521 20 0 JJADMO CC(C)[N@@H+](CCS(=O)(=O)CC(=O)OC(C)(C)C)Cc1ccc(-c2cccc(F)c2)s1 ZINC001459369110 1067304828 /nfs/dbraw/zinc/30/48/28/1067304828.db2.gz XPCZVKJNVLYZIA-UHFFFAOYSA-N 1 1 455.617 4.521 20 0 JJADMO C[C@H]1N(C(=O)[C@H](C[N@@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)c2ccccc2C1(C)C ZINC001453435389 1067306214 /nfs/dbraw/zinc/30/62/14/1067306214.db2.gz BXVWTXAVRJYWCZ-KNQAVFIVSA-N 1 1 451.611 4.725 20 0 JJADMO Cc1ccc(C[N@@H+](Cc2ccco2)C[C@@H](O)COc2cc(F)cc(Br)c2)s1 ZINC001459377238 1067307368 /nfs/dbraw/zinc/30/73/68/1067307368.db2.gz JUYFYZJMNVPQAR-QGZVFWFLSA-N 1 1 454.361 4.993 20 0 JJADMO Cc1ccc(C[N@H+](Cc2ccco2)C[C@@H](O)COc2cc(F)cc(Br)c2)s1 ZINC001459377238 1067307377 /nfs/dbraw/zinc/30/73/77/1067307377.db2.gz JUYFYZJMNVPQAR-QGZVFWFLSA-N 1 1 454.361 4.993 20 0 JJADMO C[N@@H+](CCCCCc1cc(-c2cccc(F)c2)no1)C[C@H](O)c1cc(Br)no1 ZINC001459377679 1067307876 /nfs/dbraw/zinc/30/78/76/1067307876.db2.gz VORUJFMBYRTZHC-SFHVURJKSA-N 1 1 452.324 4.609 20 0 JJADMO CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)C[N@@H+](CC)[C@H](C)C(C)C ZINC001459385215 1067309643 /nfs/dbraw/zinc/30/96/43/1067309643.db2.gz WXVYKQPUSXBQFL-QGZVFWFLSA-N 1 1 459.612 4.790 20 0 JJADMO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001459405277 1067314577 /nfs/dbraw/zinc/31/45/77/1067314577.db2.gz DBHZFXAMFOLRBL-QFIPXVFZSA-N 1 1 451.014 4.924 20 0 JJADMO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001459405271 1067314808 /nfs/dbraw/zinc/31/48/08/1067314808.db2.gz DBHZFXAMFOLRBL-JOCHJYFZSA-N 1 1 451.014 4.924 20 0 JJADMO CC[N@H+]1CCCN(Cc2csc(=Nc3ccc(OC)cc3)n2[C@@H](C)c2ccccc2)CC1 ZINC001459408258 1067315147 /nfs/dbraw/zinc/31/51/47/1067315147.db2.gz ZGHQFFMHRDZLMU-NRFANRHFSA-N 1 1 450.652 4.928 20 0 JJADMO Cc1cc(C(=O)NC2CC[NH+](CC(=O)N[C@H](CC(C)(C)C)c3ccc(F)cc3)CC2)c(C)o1 ZINC001459411764 1067316544 /nfs/dbraw/zinc/31/65/44/1067316544.db2.gz ATJQXEJISMSAML-HSZRJFAPSA-N 1 1 457.590 4.523 20 0 JJADMO COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@@H+](Cc2cccc(O)c2)CC2CC2)cc1 ZINC001459445237 1067326067 /nfs/dbraw/zinc/32/60/67/1067326067.db2.gz BVKLQPYTQCCRJE-UHFFFAOYSA-N 1 1 459.546 4.504 20 0 JJADMO COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@H+](Cc2cccc(O)c2)CC2CC2)cc1 ZINC001459445237 1067326081 /nfs/dbraw/zinc/32/60/81/1067326081.db2.gz BVKLQPYTQCCRJE-UHFFFAOYSA-N 1 1 459.546 4.504 20 0 JJADMO CC[C@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)O1 ZINC001546054641 1067327636 /nfs/dbraw/zinc/32/76/36/1067327636.db2.gz PYOAWVFTXQHTHJ-MRCUYLHHSA-N 1 1 453.675 4.925 20 0 JJADMO C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001459476071 1067334748 /nfs/dbraw/zinc/33/47/48/1067334748.db2.gz LEUCPALDLHTSJR-UXHICEINSA-N 1 1 453.583 4.995 20 0 JJADMO C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001459476071 1067334760 /nfs/dbraw/zinc/33/47/60/1067334760.db2.gz LEUCPALDLHTSJR-UXHICEINSA-N 1 1 453.583 4.995 20 0 JJADMO CC(C)(C)OC(=O)N1CCc2c(C[N@@H+]3CCC[C@H]3C(=O)OCc3ccccc3)cccc2C1 ZINC001459480577 1067335652 /nfs/dbraw/zinc/33/56/52/1067335652.db2.gz RXCUJGQNXSFLSZ-DEOSSOPVSA-N 1 1 450.579 4.688 20 0 JJADMO CC(C)(C)OC(=O)N1CCc2c(C[N@H+]3CCC[C@H]3C(=O)OCc3ccccc3)cccc2C1 ZINC001459480577 1067335662 /nfs/dbraw/zinc/33/56/62/1067335662.db2.gz RXCUJGQNXSFLSZ-DEOSSOPVSA-N 1 1 450.579 4.688 20 0 JJADMO CC(C)(C)OC(=O)N1CCc2c(C[N@@H+]3CCC[C@@H]3C(=O)OCc3ccccc3)cccc2C1 ZINC001459480584 1067335708 /nfs/dbraw/zinc/33/57/08/1067335708.db2.gz RXCUJGQNXSFLSZ-XMMPIXPASA-N 1 1 450.579 4.688 20 0 JJADMO CC(C)(C)OC(=O)N1CCc2c(C[N@H+]3CCC[C@@H]3C(=O)OCc3ccccc3)cccc2C1 ZINC001459480584 1067335718 /nfs/dbraw/zinc/33/57/18/1067335718.db2.gz RXCUJGQNXSFLSZ-XMMPIXPASA-N 1 1 450.579 4.688 20 0 JJADMO COc1cccc([C@@H](C)[NH+]2CCN(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)CC2)c1 ZINC001459490095 1067337629 /nfs/dbraw/zinc/33/76/29/1067337629.db2.gz YTFCJYHQHCGQCB-CQSZACIVSA-N 1 1 456.801 4.973 20 0 JJADMO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC001459493636 1067338113 /nfs/dbraw/zinc/33/81/13/1067338113.db2.gz MAHOGNMRBUQYJG-MGPUTAFESA-N 1 1 457.334 4.880 20 0 JJADMO Cc1cc(C[N@H+](C)[C@H]2CCN(C3CCOCC3)C2=O)cc(C)c1OCc1ccccc1Cl ZINC001459506520 1067340716 /nfs/dbraw/zinc/34/07/16/1067340716.db2.gz YYBCABQVOBKICM-DEOSSOPVSA-N 1 1 457.014 4.748 20 0 JJADMO CC[C@H]1C[N@@H+](CCC(=O)Nc2cc(F)ccc2C)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001459508427 1067341233 /nfs/dbraw/zinc/34/12/33/1067341233.db2.gz BDNUZTDKUIYKTP-GOTSBHOMSA-N 1 1 455.574 4.974 20 0 JJADMO COc1ccc(NC(=O)c2c(NC(=O)C[N@@H+]3C[C@@H](C)CC[C@H]3C)sc3c2CCCC3)cc1 ZINC001459540926 1067348109 /nfs/dbraw/zinc/34/81/09/1067348109.db2.gz LLKFMWMEKQLJOQ-DLBZAZTESA-N 1 1 455.624 4.947 20 0 JJADMO COc1ccc(NC(=O)c2c(NC(=O)C[N@H+]3C[C@@H](C)CC[C@H]3C)sc3c2CCCC3)cc1 ZINC001459540926 1067348119 /nfs/dbraw/zinc/34/81/19/1067348119.db2.gz LLKFMWMEKQLJOQ-DLBZAZTESA-N 1 1 455.624 4.947 20 0 JJADMO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@H+]3CC[C@@H](Cc4ccccc4)C3)cc2)cc1 ZINC001459544385 1067348148 /nfs/dbraw/zinc/34/81/48/1067348148.db2.gz UNUKPRQJSJKGSI-QFIPXVFZSA-N 1 1 457.574 4.841 20 0 JJADMO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@H+]3CC[C@H](Cc4ccccc4)C3)cc2)cc1 ZINC001459544383 1067348251 /nfs/dbraw/zinc/34/82/51/1067348251.db2.gz UNUKPRQJSJKGSI-JOCHJYFZSA-N 1 1 457.574 4.841 20 0 JJADMO Cc1cc(C[N@H+]2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)c(C)cc1I ZINC001459558525 1067350837 /nfs/dbraw/zinc/35/08/37/1067350837.db2.gz WHVVCWSUBILQSO-QGZVFWFLSA-N 1 1 458.384 4.739 20 0 JJADMO Cc1cc(C[N@@H+]2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)c(C)cc1I ZINC001459558525 1067350849 /nfs/dbraw/zinc/35/08/49/1067350849.db2.gz WHVVCWSUBILQSO-QGZVFWFLSA-N 1 1 458.384 4.739 20 0 JJADMO COc1ccc(CN2CCN(C(=O)C[N@@H+](C)[C@@H](C)c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC001459558615 1067350867 /nfs/dbraw/zinc/35/08/67/1067350867.db2.gz WYJVVBKLEXLHSB-QHCPKHFHSA-N 1 1 457.618 4.699 20 0 JJADMO CC[N@H+](CCOc1ccc(Br)cc1)CC(=O)Nc1nc(-c2ccco2)cs1 ZINC001459573393 1067355323 /nfs/dbraw/zinc/35/53/23/1067355323.db2.gz NKGOEEAMZUZGFR-UHFFFAOYSA-N 1 1 450.358 4.505 20 0 JJADMO CC[N@@H+](CCOc1ccc(Br)cc1)CC(=O)Nc1nc(-c2ccco2)cs1 ZINC001459573393 1067355333 /nfs/dbraw/zinc/35/53/33/1067355333.db2.gz NKGOEEAMZUZGFR-UHFFFAOYSA-N 1 1 450.358 4.505 20 0 JJADMO Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)CC1 ZINC001459595086 1067359377 /nfs/dbraw/zinc/35/93/77/1067359377.db2.gz QJFTYLMLWDTORH-CQSZACIVSA-N 1 1 453.764 4.643 20 0 JJADMO CCOC(=O)c1c(NC(=O)C[N@@H+](C)C[C@H]2CCCOC2)sc(Cl)c1-c1ccccc1 ZINC001459602918 1067360806 /nfs/dbraw/zinc/36/08/06/1067360806.db2.gz VNXGTAXKSWSFJQ-OAHLLOKOSA-N 1 1 450.988 4.542 20 0 JJADMO Cc1ccc(CNC(=O)C2CC[NH+](CC(=O)Nc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC001459601301 1067360877 /nfs/dbraw/zinc/36/08/77/1067360877.db2.gz DERUASKMBUWLQK-UHFFFAOYSA-N 1 1 457.574 4.754 20 0 JJADMO CC[C@H]1C[N@@H+](Cc2nc3cc(S(=O)(=O)N(CC)CC)ccc3[nH]2)CC[C@H]1c1ccccc1 ZINC001459627879 1067367641 /nfs/dbraw/zinc/36/76/41/1067367641.db2.gz PPVUYANZXZJFEY-SIKLNZKXSA-N 1 1 454.640 4.609 20 0 JJADMO CCN(C[C@H]1CC[N@H+](CC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)C1)CC(F)(F)F ZINC001459637452 1067369843 /nfs/dbraw/zinc/36/98/43/1067369843.db2.gz VJWMQFNJPWRMAP-QGZVFWFLSA-N 1 1 454.562 4.572 20 0 JJADMO CCN(C[C@H]1CC[N@@H+](CC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)C1)CC(F)(F)F ZINC001459637452 1067369855 /nfs/dbraw/zinc/36/98/55/1067369855.db2.gz VJWMQFNJPWRMAP-QGZVFWFLSA-N 1 1 454.562 4.572 20 0 JJADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1)c1ccccc1 ZINC001459651293 1067371800 /nfs/dbraw/zinc/37/18/00/1067371800.db2.gz HOMOBUFADGPOLS-KRWDZBQOSA-N 1 1 454.368 4.746 20 0 JJADMO O=C(NC[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1)c1ccccc1 ZINC001459651293 1067371812 /nfs/dbraw/zinc/37/18/12/1067371812.db2.gz HOMOBUFADGPOLS-KRWDZBQOSA-N 1 1 454.368 4.746 20 0 JJADMO CC(C)(C)c1ccc(CCNC(=O)C[N@@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)cc1 ZINC001459652460 1067372189 /nfs/dbraw/zinc/37/21/89/1067372189.db2.gz STZJUIJQNPTYIC-XMMPIXPASA-N 1 1 450.648 4.940 20 0 JJADMO CC(C)(C)c1ccc(CCNC(=O)C[N@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)cc1 ZINC001459652460 1067372201 /nfs/dbraw/zinc/37/22/01/1067372201.db2.gz STZJUIJQNPTYIC-XMMPIXPASA-N 1 1 450.648 4.940 20 0 JJADMO C[N@H+]1CCC[C@H]2CN(CC(=O)Nc3ccc(Oc4ccc(Br)cc4)cc3)CC[C@@H]21 ZINC001459657877 1067373338 /nfs/dbraw/zinc/37/33/38/1067373338.db2.gz QVYPHIWONWGJRA-JTSKRJEESA-N 1 1 458.400 4.596 20 0 JJADMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2coc(-c3ccc(I)cc3)n2)C12CCC2 ZINC001459664830 1067376113 /nfs/dbraw/zinc/37/61/13/1067376113.db2.gz BYFXCWWXEPROHU-ROUUACIJSA-N 1 1 452.336 4.726 20 0 JJADMO CCOc1ccc([C@H](C)NC(=O)C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)cc1OC ZINC001459664553 1067376410 /nfs/dbraw/zinc/37/64/10/1067376410.db2.gz AFQIBKRKXCLXPN-ZTCOLXNVSA-N 1 1 454.611 4.639 20 0 JJADMO CSc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC001459666070 1067376560 /nfs/dbraw/zinc/37/65/60/1067376560.db2.gz YJMWYATULWASHF-MJGOQNOKSA-N 1 1 459.999 4.731 20 0 JJADMO COc1cccc([C@@H](O)C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2Br)c1 ZINC001459673890 1067379647 /nfs/dbraw/zinc/37/96/47/1067379647.db2.gz VQMKLQAJVBPTON-BJKOFHAPSA-N 1 1 456.380 4.727 20 0 JJADMO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001459685113 1067382930 /nfs/dbraw/zinc/38/29/30/1067382930.db2.gz KSCGQEXEAFYWRX-NCYKPQTJSA-N 1 1 451.652 4.743 20 0 JJADMO CCCCNC(=O)C1([NH2+]CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)CCCCC1 ZINC001459703699 1067388421 /nfs/dbraw/zinc/38/84/21/1067388421.db2.gz YSNIBSAPJPDJPD-UHFFFAOYSA-N 1 1 456.656 4.883 20 0 JJADMO CCCCn1c(C[N@H+]2CCC[C@H](C)[C@H]2CCC)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC001459706942 1067389839 /nfs/dbraw/zinc/38/98/39/1067389839.db2.gz BZFYRUVJKFATEI-PZJWPPBQSA-N 1 1 451.615 4.548 20 0 JJADMO COC(=O)c1cccc(-c2nc(C[NH+]3CCC(C(=O)Nc4cccc(F)c4)CC3)cs2)c1 ZINC001459713786 1067392747 /nfs/dbraw/zinc/39/27/47/1067392747.db2.gz LGOCNKUHGUCJFQ-UHFFFAOYSA-N 1 1 453.539 4.587 20 0 JJADMO CCC1CCC([NH2+]CCCC(=O)Nc2c(C)cc(Br)cc2C)(C(=O)OC)CC1 ZINC001459714508 1067392857 /nfs/dbraw/zinc/39/28/57/1067392857.db2.gz AUBRQNNRTHEANW-UHFFFAOYSA-N 1 1 453.421 4.886 20 0 JJADMO Cc1cc(C)cc(OCc2noc(C[NH2+][C@]3(CNC(=O)OC(C)(C)C)CCCC[C@H]3C)n2)c1 ZINC001459716727 1067394465 /nfs/dbraw/zinc/39/44/65/1067394465.db2.gz GWWYKVJKYGJXFD-CLOONOSVSA-N 1 1 458.603 4.829 20 0 JJADMO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC001459720856 1067395418 /nfs/dbraw/zinc/39/54/18/1067395418.db2.gz JNXBEEKXBXNNRJ-FQEVSTJZSA-N 1 1 452.545 4.958 20 0 JJADMO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)OCc1ccc(Cl)cc1-n1cncn1 ZINC001459725069 1067396767 /nfs/dbraw/zinc/39/67/67/1067396767.db2.gz GCHXAQORWDACCI-SFHVURJKSA-N 1 1 454.958 4.531 20 0 JJADMO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001459744254 1067403027 /nfs/dbraw/zinc/40/30/27/1067403027.db2.gz WJAAAPRVBUWSIR-OLZOCXBDSA-N 1 1 455.773 4.720 20 0 JJADMO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001459744254 1067403030 /nfs/dbraw/zinc/40/30/30/1067403030.db2.gz WJAAAPRVBUWSIR-OLZOCXBDSA-N 1 1 455.773 4.720 20 0 JJADMO COc1cc2c(c(OC)c1OC)CC[N@@H+]([C@@H](C)c1nc(Cc3ccc(Cl)cc3)no1)CC2 ZINC001459748238 1067404447 /nfs/dbraw/zinc/40/44/47/1067404447.db2.gz PTKDSQSZXXSYAV-HNNXBMFYSA-N 1 1 457.958 4.501 20 0 JJADMO COc1cc2c(c(OC)c1OC)CC[N@H+]([C@@H](C)c1nc(Cc3ccc(Cl)cc3)no1)CC2 ZINC001459748238 1067404451 /nfs/dbraw/zinc/40/44/51/1067404451.db2.gz PTKDSQSZXXSYAV-HNNXBMFYSA-N 1 1 457.958 4.501 20 0 JJADMO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2ncc(-c3ccccc3Br)o2)CC1 ZINC001459748025 1067405025 /nfs/dbraw/zinc/40/50/25/1067405025.db2.gz LUMLGNADWKIOMC-UHFFFAOYSA-N 1 1 450.377 4.841 20 0 JJADMO CCN(CC(F)(F)F)C(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(OC)c(Br)c1 ZINC001459751923 1067406255 /nfs/dbraw/zinc/40/62/55/1067406255.db2.gz CHPZLZZXMXFHHN-IBGZPJMESA-N 1 1 459.306 4.548 20 0 JJADMO C[C@H](OCCCNC(=O)C[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)c1ccccc1 ZINC001459757867 1067409879 /nfs/dbraw/zinc/40/98/79/1067409879.db2.gz AMOQDEWIKITVSN-PXNSSMCTSA-N 1 1 451.394 4.731 20 0 JJADMO C[C@H](OCCCNC(=O)C[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)c1ccccc1 ZINC001459757867 1067409881 /nfs/dbraw/zinc/40/98/81/1067409881.db2.gz AMOQDEWIKITVSN-PXNSSMCTSA-N 1 1 451.394 4.731 20 0 JJADMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2[C@@H](c2ccc(F)cc2)c2ccc(Br)cc2)cn1 ZINC001459766905 1067413914 /nfs/dbraw/zinc/41/39/14/1067413914.db2.gz BTWFEDQRGLOOSS-DNVJHFABSA-N 1 1 458.375 4.999 20 0 JJADMO O=C(C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1)Nc1ccc(OC(F)(F)F)cc1 ZINC001459771900 1067415532 /nfs/dbraw/zinc/41/55/32/1067415532.db2.gz OFNZBHSXLWCCCV-HXUWFJFHSA-N 1 1 450.482 4.821 20 0 JJADMO O=C(C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1)Nc1ccc(OC(F)(F)F)cc1 ZINC001459771900 1067415534 /nfs/dbraw/zinc/41/55/34/1067415534.db2.gz OFNZBHSXLWCCCV-HXUWFJFHSA-N 1 1 450.482 4.821 20 0 JJADMO CN(CCC1CC[NH+](CC(=O)N[C@@H](c2cccs2)C(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC001459771721 1067415549 /nfs/dbraw/zinc/41/55/49/1067415549.db2.gz AFKDOYAGOHTXJO-NRFANRHFSA-N 1 1 451.677 4.921 20 0 JJADMO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 ZINC001459792853 1067426084 /nfs/dbraw/zinc/42/60/84/1067426084.db2.gz WDKWFECZMOBFBV-YBXDKENTSA-N 1 1 454.634 4.671 20 0 JJADMO COc1ccc(N=c2scc(C[N@H+]3CCC[C@](C)(CO)C3)n2[C@H](C)c2ccccc2)cc1 ZINC001459798563 1067428668 /nfs/dbraw/zinc/42/86/68/1067428668.db2.gz SUWPDFJRUBXRGN-IBVKSMDESA-N 1 1 451.636 4.994 20 0 JJADMO C[C@H](O)[C@@H]1CCC[N@H+](CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)C1 ZINC001459799535 1067429182 /nfs/dbraw/zinc/42/91/82/1067429182.db2.gz UAYWYJHQSWTVEU-GHTZIAJQSA-N 1 1 453.583 4.575 20 0 JJADMO C[C@H](O)[C@@H]1CCC[N@@H+](CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)C1 ZINC001459799535 1067429186 /nfs/dbraw/zinc/42/91/86/1067429186.db2.gz UAYWYJHQSWTVEU-GHTZIAJQSA-N 1 1 453.583 4.575 20 0 JJADMO CCC[C@@H]1CN([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC[N@H+]1Cc1ccccc1 ZINC001459815873 1067436010 /nfs/dbraw/zinc/43/60/10/1067436010.db2.gz UUVYWFDPORNZII-VWNXMTODSA-N 1 1 457.565 4.770 20 0 JJADMO CCC1(CC)CCN(c2nnc(COc3cccc(C)c3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546112067 1067436470 /nfs/dbraw/zinc/43/64/70/1067436470.db2.gz BJVGWZKFUQHQER-ZRZAMGCNSA-N 1 1 469.674 4.681 20 0 JJADMO Cc1ccc(NC(=O)N2CC[NH+](CCC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1 ZINC001459821156 1067438768 /nfs/dbraw/zinc/43/87/68/1067438768.db2.gz PNEDEICSFZTPTA-UHFFFAOYSA-N 1 1 458.562 4.966 20 0 JJADMO COc1ccc(C[N@@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)[C@H]2CCCC[C@@H]2C)cc1OC ZINC001459832151 1067444223 /nfs/dbraw/zinc/44/42/23/1067444223.db2.gz FAAFBHWHRUAIPZ-UWJYYQICSA-N 1 1 455.986 4.946 20 0 JJADMO Cc1ccc(NC(=O)C[NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1Cl ZINC001459847264 1067452481 /nfs/dbraw/zinc/45/24/81/1067452481.db2.gz NGVOTWWBKFHYLV-LJQANCHMSA-N 1 1 453.892 4.559 20 0 JJADMO Cc1ccsc1CNC(=O)C[NH2+][C@@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC001459847595 1067453038 /nfs/dbraw/zinc/45/30/38/1067453038.db2.gz DJVGWBVEGWOEJK-NRFANRHFSA-N 1 1 453.608 4.682 20 0 JJADMO COc1ccc(OC)c(-c2csc(NC(=O)C[NH2+][C@@H](C)c3ccccc3OC(C)C)n2)c1 ZINC001459849730 1067454608 /nfs/dbraw/zinc/45/46/08/1067454608.db2.gz XUIVKEUCPWYKMY-INIZCTEOSA-N 1 1 455.580 4.904 20 0 JJADMO C[C@@H]([NH2+]CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)c1ccc(F)c(Br)c1 ZINC001459850109 1067455012 /nfs/dbraw/zinc/45/50/12/1067455012.db2.gz NGKBCGHXNQIJMZ-SECBINFHSA-N 1 1 459.241 4.773 20 0 JJADMO CC(C)[N@@H+](CCC(=O)Nc1ccccc1Br)Cc1cnn(Cc2ccccc2)c1 ZINC001459852233 1067457185 /nfs/dbraw/zinc/45/71/85/1067457185.db2.gz BNZQEMGAVKVJEV-UHFFFAOYSA-N 1 1 455.400 4.933 20 0 JJADMO CC(C)(C)OC(=O)NC[C@H]([NH2+]CC(=O)Nc1c(F)cccc1F)c1ccc2ccccc2c1 ZINC001459853162 1067457838 /nfs/dbraw/zinc/45/78/38/1067457838.db2.gz SXLNISJOHPAZON-NRFANRHFSA-N 1 1 455.505 4.912 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CC(=O)N(C1CC1)C1CCCC1)c1ccc2ccccc2c1 ZINC001459853726 1067458358 /nfs/dbraw/zinc/45/83/58/1067458358.db2.gz WOSMIHWCPDADRN-XMMPIXPASA-N 1 1 451.611 4.929 20 0 JJADMO COc1cc(F)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1OC ZINC001459860496 1067461478 /nfs/dbraw/zinc/46/14/78/1067461478.db2.gz XYDJFORYSDEKIY-IRXDYDNUSA-N 1 1 450.510 4.752 20 0 JJADMO Cc1ccc(-c2csc(NC(=O)[C@H](C)[N@@H+]3CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2)cc1 ZINC001459863113 1067462547 /nfs/dbraw/zinc/46/25/47/1067462547.db2.gz PACDZLHSASNJGW-JENIJYKNSA-N 1 1 458.628 4.681 20 0 JJADMO Cc1ccc(-c2csc(NC(=O)[C@H](C)[N@H+]3CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2)cc1 ZINC001459863113 1067462550 /nfs/dbraw/zinc/46/25/50/1067462550.db2.gz PACDZLHSASNJGW-JENIJYKNSA-N 1 1 458.628 4.681 20 0 JJADMO OC1(Cc2ccc(OC(F)(F)F)cc2)CC[NH+](Cc2cscc2Br)CC1 ZINC001459866078 1067464086 /nfs/dbraw/zinc/46/40/86/1067464086.db2.gz OHVHIPADVXDCOG-UHFFFAOYSA-N 1 1 450.320 4.979 20 0 JJADMO CC[C@@H]1C[N@H+](Cc2csc(-c3cccc(C(=O)OC)c3)n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001459889805 1067474630 /nfs/dbraw/zinc/47/46/30/1067474630.db2.gz IJMPZJYUMAUXCW-UZLBHIALSA-N 1 1 459.612 4.722 20 0 JJADMO CC[C@@H]1C[N@@H+](Cc2csc(-c3cccc(C(=O)OC)c3)n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001459889805 1067474635 /nfs/dbraw/zinc/47/46/35/1067474635.db2.gz IJMPZJYUMAUXCW-UZLBHIALSA-N 1 1 459.612 4.722 20 0 JJADMO CC[C@@H]1C[N@@H+](CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001459893120 1067476348 /nfs/dbraw/zinc/47/63/48/1067476348.db2.gz UAHNTHFMQKRCQN-ZJSXRUAMSA-N 1 1 457.659 4.926 20 0 JJADMO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001459894749 1067477208 /nfs/dbraw/zinc/47/72/08/1067477208.db2.gz XNNWKSGDEWZEFZ-SMOZNVCYSA-N 1 1 457.659 4.756 20 0 JJADMO CCN(Cc1noc(Cc2ccc(Br)cc2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001459905240 1067482647 /nfs/dbraw/zinc/48/26/47/1067482647.db2.gz ZWRKEXNUODLSIR-NRFANRHFSA-N 1 1 455.400 4.519 20 0 JJADMO C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1cccc2ccccc21 ZINC001459910011 1067485174 /nfs/dbraw/zinc/48/51/74/1067485174.db2.gz UCPPYOMDCJUSTD-OWOAZTCBSA-N 1 1 451.611 4.738 20 0 JJADMO C[C@@H](N[C@@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001459928301 1067495403 /nfs/dbraw/zinc/49/54/03/1067495403.db2.gz ZEWZERDDIINCGQ-RZUBCFFCSA-N 1 1 452.668 4.944 20 0 JJADMO CCOc1ccc([C@H](C)NC(=O)C[N@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1OC ZINC001459930684 1067495962 /nfs/dbraw/zinc/49/59/62/1067495962.db2.gz KVBBFCPJPSXKGD-QFBILLFUSA-N 1 1 450.501 4.779 20 0 JJADMO CCOc1ccc([C@H](C)NC(=O)C[N@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)cc1OC ZINC001459930665 1067496042 /nfs/dbraw/zinc/49/60/42/1067496042.db2.gz KVBBFCPJPSXKGD-LPHOPBHVSA-N 1 1 450.501 4.779 20 0 JJADMO CC(C)(C)OC(=O)c1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 ZINC001459931889 1067496353 /nfs/dbraw/zinc/49/63/53/1067496353.db2.gz HNPGMEBBAQQFRI-OAQYLSRUSA-N 1 1 452.599 4.873 20 0 JJADMO Cn1cc([C@@H]([NH2+]CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)cn1 ZINC001459934277 1067497949 /nfs/dbraw/zinc/49/79/49/1067497949.db2.gz QSIZHBWDYXZYQS-IBGZPJMESA-N 1 1 456.390 4.775 20 0 JJADMO C[N@H+](Cc1ccccc1)C[C@@H](CN[C@@H](CO)c1cccc(Br)c1)c1ccccc1 ZINC001459934881 1067497985 /nfs/dbraw/zinc/49/79/85/1067497985.db2.gz UYKJRROYSQYHQF-NOZRDPDXSA-N 1 1 453.424 4.988 20 0 JJADMO FC(F)(F)c1nnc(N2CCC[N@@H+](CCCOc3cccc(C(F)(F)F)c3)CC2)s1 ZINC001459933966 1067498080 /nfs/dbraw/zinc/49/80/80/1067498080.db2.gz XJJYOARRISREJT-UHFFFAOYSA-N 1 1 454.440 4.557 20 0 JJADMO CCC[N@@H+](C)[C@H](CNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1)c1ccc(Cl)cc1 ZINC001459947891 1067502980 /nfs/dbraw/zinc/50/29/80/1067502980.db2.gz YOHPBGPOBGOQGU-ZJSXRUAMSA-N 1 1 456.030 4.899 20 0 JJADMO COc1ccccc1-c1nc(C[NH2+][C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)co1 ZINC001459951376 1067504311 /nfs/dbraw/zinc/50/43/11/1067504311.db2.gz QCHZMQHZUGEYPF-REWPJTCUSA-N 1 1 457.933 4.983 20 0 JJADMO Cc1sc(NC(=O)C[NH2+][C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)c1C ZINC001459954324 1067505992 /nfs/dbraw/zinc/50/59/92/1067505992.db2.gz YYQYQCKZECIONL-WIYYLYMNSA-N 1 1 451.995 4.745 20 0 JJADMO Cn1c2ccccc2nc1[C@@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC001459982506 1067515177 /nfs/dbraw/zinc/51/51/77/1067515177.db2.gz FMAQZVLKRNAHSS-CVDCTZTESA-N 1 1 455.480 4.711 20 0 JJADMO O=C(C[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC001459990045 1067517276 /nfs/dbraw/zinc/51/72/76/1067517276.db2.gz XISYLBFYHOBTCK-DNRSQYFGSA-N 1 1 454.058 4.984 20 0 JJADMO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@H+]2C[C@@H](C)C[C@H]2c2cccnc2)cc1 ZINC001459991890 1067517877 /nfs/dbraw/zinc/51/78/77/1067517877.db2.gz HZYCJUDSPAEZSV-CYFREDJKSA-N 1 1 458.562 4.754 20 0 JJADMO CC(C)(C)OC(=O)C1(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C(C)(C)C1(C)C ZINC001546113176 1067521516 /nfs/dbraw/zinc/52/15/16/1067521516.db2.gz RHTMCHZALKUYEF-BHDDXSALSA-N 1 1 454.655 4.797 20 0 JJADMO CCOc1ccccc1CN1CC[N@@H+](C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC001460004036 1067523216 /nfs/dbraw/zinc/52/32/16/1067523216.db2.gz JQYSXKBEQQOBDJ-DNVJHFABSA-N 1 1 459.675 4.923 20 0 JJADMO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC001460010087 1067526050 /nfs/dbraw/zinc/52/60/50/1067526050.db2.gz ZIAWJOHPFRYZGV-NRFANRHFSA-N 1 1 450.377 4.841 20 0 JJADMO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC001460010087 1067526058 /nfs/dbraw/zinc/52/60/58/1067526058.db2.gz ZIAWJOHPFRYZGV-NRFANRHFSA-N 1 1 450.377 4.841 20 0 JJADMO COc1ccc(CC(=O)NC[C@@H](c2ccc(Cl)cc2)[N@H+](C)CCC(F)(F)F)cc1OC ZINC001460014520 1067527721 /nfs/dbraw/zinc/52/77/21/1067527721.db2.gz LTMVHHXPGSADGW-SFHVURJKSA-N 1 1 458.908 4.641 20 0 JJADMO COc1ccc(CC(=O)NC[C@@H](c2ccc(Cl)cc2)[N@@H+](C)CCC(F)(F)F)cc1OC ZINC001460014520 1067527727 /nfs/dbraw/zinc/52/77/27/1067527727.db2.gz LTMVHHXPGSADGW-SFHVURJKSA-N 1 1 458.908 4.641 20 0 JJADMO CC(C)(C)c1ccc(CCNC(=O)C[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC001460015453 1067528208 /nfs/dbraw/zinc/52/82/08/1067528208.db2.gz HVIXJBSQNWDBPB-HXUWFJFHSA-N 1 1 456.936 4.638 20 0 JJADMO CCOC(=O)[C@@]1(C(C)C)CC[N@H+]([C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC001460018867 1067530217 /nfs/dbraw/zinc/53/02/17/1067530217.db2.gz KLMHRPMAIJLLHK-DFBJGRDBSA-N 1 1 455.624 4.612 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C[C@H]1c1ccccc1 ZINC001460019969 1067530579 /nfs/dbraw/zinc/53/05/79/1067530579.db2.gz VQBHFMCXRMQIGV-FUPPJEDESA-N 1 1 455.986 4.826 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C[C@H]1c1ccccc1 ZINC001460019969 1067530583 /nfs/dbraw/zinc/53/05/83/1067530583.db2.gz VQBHFMCXRMQIGV-FUPPJEDESA-N 1 1 455.986 4.826 20 0 JJADMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2CC(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC001460042108 1067537213 /nfs/dbraw/zinc/53/72/13/1067537213.db2.gz RDYPNKHCKMNTLC-DLTYFMDKSA-N 1 1 453.652 4.964 20 0 JJADMO CCC1CCC([N@@H+](CCO)CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)CC1 ZINC001460057913 1067541498 /nfs/dbraw/zinc/54/14/98/1067541498.db2.gz ZNINTAGKZCEQTQ-HCPAQRILSA-N 1 1 458.002 4.874 20 0 JJADMO C[C@@H]1CCCN(C(=O)OC[C@H]2CCCC[N@H+]2CCOc2cc(F)cc(Br)c2)C1 ZINC001460068164 1067545257 /nfs/dbraw/zinc/54/52/57/1067545257.db2.gz DIPZLIZLNYYEBS-VQIMIIECSA-N 1 1 457.384 4.690 20 0 JJADMO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC001460069112 1067545543 /nfs/dbraw/zinc/54/55/43/1067545543.db2.gz JEMXMSMZNHGBLV-QFIPXVFZSA-N 1 1 458.647 4.775 20 0 JJADMO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC001460069112 1067545552 /nfs/dbraw/zinc/54/55/52/1067545552.db2.gz JEMXMSMZNHGBLV-QFIPXVFZSA-N 1 1 458.647 4.775 20 0 JJADMO C[C@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)C[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001460073794 1067547204 /nfs/dbraw/zinc/54/72/04/1067547204.db2.gz SYALRJSEMJCGLF-LYHRCORUSA-N 1 1 456.549 4.984 20 0 JJADMO Brc1ccc(C[N@H+](CCc2ccccc2Br)CCn2ccnc2)o1 ZINC001460086330 1067550426 /nfs/dbraw/zinc/55/04/26/1067550426.db2.gz NRPMCUBGYGODLE-UHFFFAOYSA-N 1 1 453.178 4.746 20 0 JJADMO COc1ccc(CN2CCN(C(=O)C[N@H+](CC(C)C)[C@@H](C)c3ccccc3Cl)CC2)cc1 ZINC001460088556 1067551439 /nfs/dbraw/zinc/55/14/39/1067551439.db2.gz JVDWESYJNAGOOE-NRFANRHFSA-N 1 1 458.046 4.712 20 0 JJADMO COc1ccc(CN2CCN(C(=O)C[N@@H+](CC(C)C)[C@@H](C)c3ccccc3Cl)CC2)cc1 ZINC001460088556 1067551444 /nfs/dbraw/zinc/55/14/44/1067551444.db2.gz JVDWESYJNAGOOE-NRFANRHFSA-N 1 1 458.046 4.712 20 0 JJADMO CC[C@@H](OC1CCCCC1)C(=O)Nc1cc(Br)ccc1N1CC[N@@H+](C)C[C@H]1C ZINC001460094333 1067553205 /nfs/dbraw/zinc/55/32/05/1067553205.db2.gz QMHIIOOPIPGDPX-IIBYNOLFSA-N 1 1 452.437 4.656 20 0 JJADMO CCOc1cccc(/C=C/C(=O)Nc2cc(Br)ccc2N2CC[N@@H+](C)C[C@H]2C)c1 ZINC001460096388 1067553813 /nfs/dbraw/zinc/55/38/13/1067553813.db2.gz RJZGCVLLGOCEEI-VGMNTSGFSA-N 1 1 458.400 4.640 20 0 JJADMO CCOc1cccc(/C=C\C(=O)Nc2cc(Br)ccc2N2CC[N@@H+](C)C[C@H]2C)c1 ZINC001460096381 1067553852 /nfs/dbraw/zinc/55/38/52/1067553852.db2.gz RJZGCVLLGOCEEI-SDMNGIDPSA-N 1 1 458.400 4.640 20 0 JJADMO CCc1cc2c(C[N@H+]3CCC[C@H]([C@H]4CCN(C(=O)OC(C)(C)C)C4)C3)cc(=O)oc2cc1O ZINC001460113822 1067557992 /nfs/dbraw/zinc/55/79/92/1067557992.db2.gz YXNNLOKBAJUCLC-OALUTQOASA-N 1 1 456.583 4.530 20 0 JJADMO CN(C)c1cc(NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)ncc1Br ZINC001460120506 1067559365 /nfs/dbraw/zinc/55/93/65/1067559365.db2.gz VRDRHFLSYILBRQ-UHFFFAOYSA-N 1 1 453.384 4.794 20 0 JJADMO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cs1)c1ccc(C(F)(F)F)cc1 ZINC001460135173 1067562102 /nfs/dbraw/zinc/56/21/02/1067562102.db2.gz MPSVURDGCROPFU-ZCNNSNEGSA-N 1 1 453.530 4.972 20 0 JJADMO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cs1)c1ccc(C(F)(F)F)cc1 ZINC001460135173 1067562106 /nfs/dbraw/zinc/56/21/06/1067562106.db2.gz MPSVURDGCROPFU-ZCNNSNEGSA-N 1 1 453.530 4.972 20 0 JJADMO COc1ccc(C[C@@H]2CCC[N@H+]([C@@H]3CN(C(=O)OC(C)(C)C)c4ccccc4[C@@H]3O)C2)cc1 ZINC001460136796 1067562420 /nfs/dbraw/zinc/56/24/20/1067562420.db2.gz SRAHMYOFOHKAJM-AMDXRBSFSA-N 1 1 452.595 4.807 20 0 JJADMO COc1ccc(C[C@@H]2CCC[N@H+]([C@H]3CN(C(=O)OC(C)(C)C)c4ccccc4[C@H]3O)C2)cc1 ZINC001460136803 1067562448 /nfs/dbraw/zinc/56/24/48/1067562448.db2.gz SRAHMYOFOHKAJM-KSNOWIBYSA-N 1 1 452.595 4.807 20 0 JJADMO O=C1[C@@H]([NH+]2CCC(c3nc(C(F)(F)F)cs3)CC2)CCCN1Cc1ccc(F)cc1F ZINC001460137978 1067562698 /nfs/dbraw/zinc/56/26/98/1067562698.db2.gz CGXNNRJXZYSUTB-KRWDZBQOSA-N 1 1 459.484 4.811 20 0 JJADMO O=C1[C@H]([NH+]2CCC(c3nc(C(F)(F)F)cs3)CC2)CCCN1Cc1ccc(F)cc1F ZINC001460137979 1067562801 /nfs/dbraw/zinc/56/28/01/1067562801.db2.gz CGXNNRJXZYSUTB-QGZVFWFLSA-N 1 1 459.484 4.811 20 0 JJADMO Ic1cccc(C[C@H]2CC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)c1 ZINC001460137505 1067562826 /nfs/dbraw/zinc/56/28/26/1067562826.db2.gz RXPHHTIHHYVSDJ-GOSISDBHSA-N 1 1 455.343 4.813 20 0 JJADMO CCC1(CC)CN(c2nnc(C(C)(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCS1 ZINC001546114186 1067564614 /nfs/dbraw/zinc/56/46/14/1067564614.db2.gz YFHKVIRAVBDGGL-QHCPKHFHSA-N 1 1 485.742 4.979 20 0 JJADMO COc1ccc(C)cc1NC(=O)CN(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001460149569 1067565260 /nfs/dbraw/zinc/56/52/60/1067565260.db2.gz FNDMRWGUIPOJMH-VWLOTQADSA-N 1 1 458.606 4.504 20 0 JJADMO CCOC(=O)[C@H](CCc1ccccc1)[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460160031 1067567661 /nfs/dbraw/zinc/56/76/61/1067567661.db2.gz UJEPXXQBQNGEBZ-SMIHKQSGSA-N 1 1 458.643 4.910 20 0 JJADMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2csc(-c3ccc(Br)cc3)n2)C1 ZINC001460167343 1067568350 /nfs/dbraw/zinc/56/83/50/1067568350.db2.gz SCPPPTNHYALERZ-QFIPXVFZSA-N 1 1 457.393 4.889 20 0 JJADMO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1F)C(=O)N(C)Cc1nc2ccccc2s1 ZINC001460175287 1067570956 /nfs/dbraw/zinc/57/09/56/1067570956.db2.gz MKSACPZKJPXDKC-QWHCGFSZSA-N 1 1 450.377 4.896 20 0 JJADMO O=C(C[N@@H+]1CC[C@H](n2cccn2)C1)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC001460180598 1067572625 /nfs/dbraw/zinc/57/26/25/1067572625.db2.gz PCNORAGANLQACV-SFHVURJKSA-N 1 1 457.397 4.682 20 0 JJADMO O=C(C[N@H+]1CC[C@H](n2cccn2)C1)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC001460180598 1067572629 /nfs/dbraw/zinc/57/26/29/1067572629.db2.gz PCNORAGANLQACV-SFHVURJKSA-N 1 1 457.397 4.682 20 0 JJADMO C[C@@H]([NH2+]Cc1ncc(-c2cccc(Br)c2)o1)c1ccc(N2CCCNC2=O)cc1 ZINC001460180764 1067572706 /nfs/dbraw/zinc/57/27/06/1067572706.db2.gz KGRHFNUCEQFTCN-OAHLLOKOSA-N 1 1 455.356 4.875 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2csc(Br)c2)CC1 ZINC001460200600 1067577918 /nfs/dbraw/zinc/57/79/18/1067577918.db2.gz ZGTVRVZQQLZAMW-SJLPKXTDSA-N 1 1 459.450 4.795 20 0 JJADMO CC(C)(C)OC(=O)N[C@H]1CCCO[C@@H]1C1CC[NH+](Cc2csc(Br)c2)CC1 ZINC001460200598 1067577944 /nfs/dbraw/zinc/57/79/44/1067577944.db2.gz ZGTVRVZQQLZAMW-FUHWJXTLSA-N 1 1 459.450 4.795 20 0 JJADMO CCC1(CC)CN(c2nnc(-c3cccc(OC)c3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CCS1 ZINC001546115095 1067592539 /nfs/dbraw/zinc/59/25/39/1067592539.db2.gz RQWQALNYAWATKB-NRFANRHFSA-N 1 1 487.714 4.567 20 0 JJADMO COc1cc(OC)c(NC(=O)CC[N@H+]2CCC[C@H](CCC(=O)OC(C)(C)C)C2)cc1Cl ZINC001460259283 1067592990 /nfs/dbraw/zinc/59/29/90/1067592990.db2.gz PVGYLJUTNCNAMG-MRXNPFEDSA-N 1 1 454.995 4.520 20 0 JJADMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[N@H+]1CCSC[C@H]1C1CCC1 ZINC001460273442 1067595284 /nfs/dbraw/zinc/59/52/84/1067595284.db2.gz URSMUTJABWCBJH-DVECYGJZSA-N 1 1 451.636 4.676 20 0 JJADMO COc1cc(-c2nc(C[NH2+][C@H](CCO)c3cccc(OC(F)(F)F)c3)cs2)ccc1O ZINC001460288332 1067599585 /nfs/dbraw/zinc/59/95/85/1067599585.db2.gz BOCUEUKWTGWZLD-QGZVFWFLSA-N 1 1 454.470 4.636 20 0 JJADMO O=C(C[N@@H+](Cc1ccccc1)[C@H](CO)C1CCC1)Nc1ccc(Br)cc1Cl ZINC001460297379 1067600932 /nfs/dbraw/zinc/60/09/32/1067600932.db2.gz WTJMPAVOEVXVHA-HXUWFJFHSA-N 1 1 451.792 4.704 20 0 JJADMO COc1cncc(/C=C/CC[N@@H+](Cc2ccccn2)C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001460303682 1067602732 /nfs/dbraw/zinc/60/27/32/1067602732.db2.gz GBCFBVHFLSISEL-RMKNXTFCSA-N 1 1 452.599 4.790 20 0 JJADMO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)C1=O ZINC001460303259 1067602778 /nfs/dbraw/zinc/60/27/78/1067602778.db2.gz XYMYYGBPCBGMLR-VCFYHUQZSA-N 1 1 452.570 4.545 20 0 JJADMO C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)C1=O ZINC001460303257 1067602811 /nfs/dbraw/zinc/60/28/11/1067602811.db2.gz XYMYYGBPCBGMLR-LDLZHSJESA-N 1 1 452.570 4.545 20 0 JJADMO C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)C1=O ZINC001460303256 1067602903 /nfs/dbraw/zinc/60/29/03/1067602903.db2.gz XYMYYGBPCBGMLR-ABQRKTDGSA-N 1 1 452.570 4.545 20 0 JJADMO C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)[N@@H+](Cc2cccc(C(=O)NCc3ccco3)c2)[C@@H]1C ZINC001460308081 1067604346 /nfs/dbraw/zinc/60/43/46/1067604346.db2.gz MQCQTKHJUDWUEI-WOIUINJBSA-N 1 1 455.599 4.723 20 0 JJADMO CC[C@H]1[C@H](C(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)CCN1C(=O)OC(C)(C)C ZINC001460309277 1067604725 /nfs/dbraw/zinc/60/47/25/1067604725.db2.gz WLXGAJKPIYQAIA-YADHBBJMSA-N 1 1 450.583 4.618 20 0 JJADMO O=C(Cc1c(F)ccc(Br)c1F)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC001460309264 1067604767 /nfs/dbraw/zinc/60/47/67/1067604767.db2.gz WJSQTQCJUIWIBZ-UHFFFAOYSA-N 1 1 458.306 4.866 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC001460318560 1067606770 /nfs/dbraw/zinc/60/67/70/1067606770.db2.gz RMYAQTVBQAPBBI-YZGWKJHDSA-N 1 1 458.521 4.838 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC001460318560 1067606772 /nfs/dbraw/zinc/60/67/72/1067606772.db2.gz RMYAQTVBQAPBBI-YZGWKJHDSA-N 1 1 458.521 4.838 20 0 JJADMO CO[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1)c1ccc(Cl)cc1 ZINC001460319882 1067607337 /nfs/dbraw/zinc/60/73/37/1067607337.db2.gz ZCKIHPIXFVLNNW-GXRSIYKFSA-N 1 1 453.023 4.954 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)CCc1ccc2c(c1)OCCO2 ZINC001460325977 1067608556 /nfs/dbraw/zinc/60/85/56/1067608556.db2.gz PVISODMUVTZZPG-RUZDIDTESA-N 1 1 450.623 4.582 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCN([C@H](C)c2ccccc2F)C1=O ZINC001460327151 1067608717 /nfs/dbraw/zinc/60/87/17/1067608717.db2.gz UKXXGIUDXWICOS-IEJAEOBLSA-N 1 1 479.640 4.788 20 0 JJADMO Brc1ccc(OCCCCN2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001460337493 1067610887 /nfs/dbraw/zinc/61/08/87/1067610887.db2.gz LMQILSDBFQWIOU-DNQXCXABSA-N 1 1 459.428 4.583 20 0 JJADMO Brc1ccc(OCCCCN2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001460337491 1067611007 /nfs/dbraw/zinc/61/10/07/1067611007.db2.gz LMQILSDBFQWIOU-BJKOFHAPSA-N 1 1 459.428 4.583 20 0 JJADMO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001460343313 1067612922 /nfs/dbraw/zinc/61/29/22/1067612922.db2.gz ZGMSFZKEMJREQR-XXBNENTESA-N 1 1 458.647 4.549 20 0 JJADMO O=C(c1cncc(C(F)(F)F)c1)N(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001460347485 1067613770 /nfs/dbraw/zinc/61/37/70/1067613770.db2.gz DXNJTOYDWYQFPR-HSZRJFAPSA-N 1 1 454.496 4.802 20 0 JJADMO CC(C)COc1ncccc1C(=O)N(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001460350575 1067614538 /nfs/dbraw/zinc/61/45/38/1067614538.db2.gz RNTXXIXYNVZKAS-RUZDIDTESA-N 1 1 458.606 4.818 20 0 JJADMO COc1ccc(C[C@H]2CCCC[N@H+]2C[C@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001460358726 1067617366 /nfs/dbraw/zinc/61/73/66/1067617366.db2.gz GVCGXFMURWQRBZ-ISKFKSNPSA-N 1 1 458.643 4.898 20 0 JJADMO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)[C@H]2CCCC[C@H]12 ZINC001460360380 1067618367 /nfs/dbraw/zinc/61/83/67/1067618367.db2.gz ICRKKNLRRPEQHQ-SBHAEUEKSA-N 1 1 455.624 4.728 20 0 JJADMO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)[C@H]2CCCC[C@H]12 ZINC001460360380 1067618369 /nfs/dbraw/zinc/61/83/69/1067618369.db2.gz ICRKKNLRRPEQHQ-SBHAEUEKSA-N 1 1 455.624 4.728 20 0 JJADMO CCOC(=O)C1=C(C[NH2+][C@H](c2ccccc2F)C(C)C)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001460366389 1067619416 /nfs/dbraw/zinc/61/94/16/1067619416.db2.gz WFQFEMZPQNBQOU-VXKWHMMOSA-N 1 1 459.949 4.637 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCSc3ccc(F)cc3F)C2)C1 ZINC001460366883 1067619427 /nfs/dbraw/zinc/61/94/27/1067619427.db2.gz MPAJIZHOILJCKR-YVWKXTFCSA-N 1 1 456.599 4.841 20 0 JJADMO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC1(c3ccccc3)CCCCC1)C2 ZINC001460367212 1067619464 /nfs/dbraw/zinc/61/94/64/1067619464.db2.gz ZQIYLDJUWLKDCN-FIPFOOKPSA-N 1 1 469.670 4.632 20 0 JJADMO CCc1ccc([C@H](NC(=O)C[N@H+]2CC[C@H](C(=O)OC)[C@H]3CCCC[C@@H]32)c2cccs2)cc1 ZINC001460368414 1067620004 /nfs/dbraw/zinc/62/00/04/1067620004.db2.gz XXGSVCXIABOYNP-KXEAFHOWSA-N 1 1 454.636 4.570 20 0 JJADMO C[C@H](Oc1ccc(Br)cc1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001460404698 1067627718 /nfs/dbraw/zinc/62/77/18/1067627718.db2.gz YCBSTVXXAXPMFC-IRFPFTSISA-N 1 1 457.412 4.918 20 0 JJADMO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)[NH2+][C@H](c1ccccc1)c1ccc(OC)cc1 ZINC001460405339 1067628115 /nfs/dbraw/zinc/62/81/15/1067628115.db2.gz QWXLLQKXCVMVAT-VGOFRKELSA-N 1 1 452.576 4.948 20 0 JJADMO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001460413016 1067630237 /nfs/dbraw/zinc/63/02/37/1067630237.db2.gz UDOVNMUFFQQLEB-FUHWJXTLSA-N 1 1 451.558 4.651 20 0 JJADMO C[C@@H]1CCC[N@H+](Cc2noc(-c3ccc(F)cc3F)n2)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001460459672 1067638073 /nfs/dbraw/zinc/63/80/73/1067638073.db2.gz UVLLOYNPIHWFLY-DNVCBOLYSA-N 1 1 450.530 4.920 20 0 JJADMO C[C@@H]1CCC[N@@H+](Cc2noc(-c3ccc(F)cc3F)n2)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001460459672 1067638077 /nfs/dbraw/zinc/63/80/77/1067638077.db2.gz UVLLOYNPIHWFLY-DNVCBOLYSA-N 1 1 450.530 4.920 20 0 JJADMO Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 ZINC001460484524 1067643667 /nfs/dbraw/zinc/64/36/67/1067643667.db2.gz GCXLUSOZFJZLMB-RTWAWAEBSA-N 1 1 453.631 4.716 20 0 JJADMO O=C(CC[N@H+]1CC[C@H](Sc2ccc(Br)cc2)C1)NCc1ccccc1Cl ZINC001460491067 1067644817 /nfs/dbraw/zinc/64/48/17/1067644817.db2.gz OVXLBLFUBHOFLI-SFHVURJKSA-N 1 1 453.833 4.975 20 0 JJADMO CC(C)C[N@@H+](CC(=O)N1CCN(c2ccccc2F)CC1)Cc1cccc(C(F)(F)F)c1 ZINC001460514223 1067647158 /nfs/dbraw/zinc/64/71/58/1067647158.db2.gz JKYBOFCVPXXBKD-UHFFFAOYSA-N 1 1 451.508 4.651 20 0 JJADMO Cc1[nH+]cn(-c2ccc(NC(=O)c3ccccc3OCC(=O)Nc3ccccc3F)cc2)c1C ZINC001460529374 1067651240 /nfs/dbraw/zinc/65/12/40/1067651240.db2.gz AXRLCJIJXSLFOR-UHFFFAOYSA-N 1 1 458.493 4.898 20 0 JJADMO CN(Cc1cccc(OCc2ccc(F)cc2F)c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001460555509 1067655276 /nfs/dbraw/zinc/65/52/76/1067655276.db2.gz HVGNMKKGFLSSFN-HHHXNRCGSA-N 1 1 452.545 4.613 20 0 JJADMO C[N@H+](Cc1cccc(OCc2ccc(F)cc2F)c1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001460555509 1067655279 /nfs/dbraw/zinc/65/52/79/1067655279.db2.gz HVGNMKKGFLSSFN-HHHXNRCGSA-N 1 1 452.545 4.613 20 0 JJADMO C[N@@H+](Cc1cccc(OCc2ccc(F)cc2F)c1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001460555509 1067655280 /nfs/dbraw/zinc/65/52/80/1067655280.db2.gz HVGNMKKGFLSSFN-HHHXNRCGSA-N 1 1 452.545 4.613 20 0 JJADMO CCCCOc1ccc(-c2nnc(C[NH+]3CCC([C@@H](O)c4cccc(OC)c4)CC3)o2)cc1 ZINC001460568595 1067657574 /nfs/dbraw/zinc/65/75/74/1067657574.db2.gz JGOMLFNESIDQQN-RUZDIDTESA-N 1 1 451.567 4.870 20 0 JJADMO O[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCOc1c(Br)cccc1Br ZINC001460606940 1067669736 /nfs/dbraw/zinc/66/97/36/1067669736.db2.gz IEGSTEWQFZMWSR-ROUUACIJSA-N 1 1 455.190 4.788 20 0 JJADMO O[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCOc1c(Br)cccc1Br ZINC001460606940 1067669743 /nfs/dbraw/zinc/66/97/43/1067669743.db2.gz IEGSTEWQFZMWSR-ROUUACIJSA-N 1 1 455.190 4.788 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](CCc3ccc4c(c3)OC(F)(F)O4)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001460651866 1067687154 /nfs/dbraw/zinc/68/71/54/1067687154.db2.gz PNUJITIEWJQHIY-VQTJNVASSA-N 1 1 476.520 4.552 20 0 JJADMO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[NH2+][C@H](CF)c2ccc(F)cc2)cc1 ZINC001460660768 1067691913 /nfs/dbraw/zinc/69/19/13/1067691913.db2.gz ZMSXTRBJTQLKBZ-JOCHJYFZSA-N 1 1 453.489 4.716 20 0 JJADMO COc1cc(Br)ccc1CCC[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C ZINC001460662456 1067692441 /nfs/dbraw/zinc/69/24/41/1067692441.db2.gz UAUBGODNGNKDNI-RTBURBONSA-N 1 1 453.421 4.864 20 0 JJADMO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001460670197 1067694643 /nfs/dbraw/zinc/69/46/43/1067694643.db2.gz JVBBZWZKEHFTNK-IFMALSPDSA-N 1 1 450.652 4.630 20 0 JJADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001460670543 1067694656 /nfs/dbraw/zinc/69/46/56/1067694656.db2.gz MFQWNNPXPBICOK-ZEQKJWHPSA-N 1 1 459.638 4.803 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CC[N@@H+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC001460674759 1067696617 /nfs/dbraw/zinc/69/66/17/1067696617.db2.gz FCFBFSLWCKWLMQ-AVRDEDQJSA-N 1 1 455.437 4.745 20 0 JJADMO CO[C@H](C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)s1 ZINC001460682597 1067700311 /nfs/dbraw/zinc/70/03/11/1067700311.db2.gz YMPVSUFVGKHTPM-PXNSSMCTSA-N 1 1 451.430 4.617 20 0 JJADMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCOc2ccc(Br)cc21 ZINC001460682697 1067700571 /nfs/dbraw/zinc/70/05/71/1067700571.db2.gz ZLRXNQCKMJFRLS-CTNGQTDRSA-N 1 1 457.412 4.734 20 0 JJADMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001460682699 1067700754 /nfs/dbraw/zinc/70/07/54/1067700754.db2.gz ZLRXNQCKMJFRLS-PZJWPPBQSA-N 1 1 457.412 4.734 20 0 JJADMO CC(C)Cc1nnc(NC(=O)C[NH2+][C@@H]2c3ccccc3N(C(=O)OC(C)(C)C)C2(C)C)s1 ZINC001460685620 1067701500 /nfs/dbraw/zinc/70/15/00/1067701500.db2.gz RZICKIPMWCBXQJ-LJQANCHMSA-N 1 1 459.616 4.540 20 0 JJADMO CC[C@@H](NC(=O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)CCC12CCC2)c1ccc(Cl)cc1 ZINC001460703505 1067704724 /nfs/dbraw/zinc/70/47/24/1067704724.db2.gz PTLAXJQHGSYVFN-HXUWFJFHSA-N 1 1 450.023 4.773 20 0 JJADMO CC[C@@H](NC(=O)C[N@H+]1CCN(C(=O)OC(C)(C)C)CCC12CCC2)c1ccc(Cl)cc1 ZINC001460703505 1067704730 /nfs/dbraw/zinc/70/47/30/1067704730.db2.gz PTLAXJQHGSYVFN-HXUWFJFHSA-N 1 1 450.023 4.773 20 0 JJADMO COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2CCN2CCCc3ccccc32)c1 ZINC001460704099 1067705331 /nfs/dbraw/zinc/70/53/31/1067705331.db2.gz BGVYPHFXEPJLPM-RUZDIDTESA-N 1 1 451.611 4.742 20 0 JJADMO COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2CCN2CCCc3ccccc32)c1 ZINC001460704099 1067705334 /nfs/dbraw/zinc/70/53/34/1067705334.db2.gz BGVYPHFXEPJLPM-RUZDIDTESA-N 1 1 451.611 4.742 20 0 JJADMO CCOC(=O)c1sc2nc(C[NH2+]C(C)(C)c3ccc(C(F)(F)F)cc3)nc(N)c2c1C ZINC001460705196 1067705477 /nfs/dbraw/zinc/70/54/77/1067705477.db2.gz YUYZHLAZAIXYBG-UHFFFAOYSA-N 1 1 452.502 4.802 20 0 JJADMO CCO[C@H](C)c1ncc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)s1 ZINC001460758549 1067718206 /nfs/dbraw/zinc/71/82/06/1067718206.db2.gz AORSXTLYGVGYFO-VOQZNFBZSA-N 1 1 453.583 4.778 20 0 JJADMO C[C@@H]([NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)C(=O)N(c1nccs1)C1CCCCC1 ZINC001460782813 1067722540 /nfs/dbraw/zinc/72/25/40/1067722540.db2.gz ZYGVDQSPHWPJFH-DUXKGJEZSA-N 1 1 480.600 4.850 20 0 JJADMO CC(C)(C)OC(=O)N1CCC(CCC[N@H+]2CCCN(Cc3ccccc3)CCOCC2)CC1 ZINC001460838366 1067732389 /nfs/dbraw/zinc/73/23/89/1067732389.db2.gz UPIAEBXNOJBDPQ-UHFFFAOYSA-N 1 1 459.675 4.638 20 0 JJADMO CCC1(CC)CN(c2nnc(CCc3ccccc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CCS1 ZINC001546119470 1067733493 /nfs/dbraw/zinc/73/34/93/1067733493.db2.gz DOXRXMJCXQXAKC-DEOSSOPVSA-N 1 1 485.742 4.532 20 0 JJADMO CC(C)(C)OC(=O)N1CCC2(CC1)C[N@@H+](C[C@@H](O)c1cccc(F)c1)Cc1ccccc1O2 ZINC001460844091 1067733536 /nfs/dbraw/zinc/73/35/36/1067733536.db2.gz PJDQMCAOCCKIKJ-JOCHJYFZSA-N 1 1 456.558 4.523 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCC[N@@H+]2Cc1nc2cc(Br)ccc2o1 ZINC001460847431 1067734362 /nfs/dbraw/zinc/73/43/62/1067734362.db2.gz AQKGRPUUFBVTEU-SZNDQCEHSA-N 1 1 450.377 4.860 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCC[N@H+]2Cc1nc2cc(Br)ccc2o1 ZINC001460847431 1067734368 /nfs/dbraw/zinc/73/43/68/1067734368.db2.gz AQKGRPUUFBVTEU-SZNDQCEHSA-N 1 1 450.377 4.860 20 0 JJADMO COC(=O)c1cnc([C@H]2CC[N@@H+]([C@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)s1 ZINC001460867657 1067737983 /nfs/dbraw/zinc/73/79/83/1067737983.db2.gz OGPVZSSOFOQFEO-YPMHNXCESA-N 1 1 452.458 4.549 20 0 JJADMO COC(=O)c1cnc([C@H]2CC[N@H+]([C@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)s1 ZINC001460867657 1067737990 /nfs/dbraw/zinc/73/79/90/1067737990.db2.gz OGPVZSSOFOQFEO-YPMHNXCESA-N 1 1 452.458 4.549 20 0 JJADMO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@H+](CC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)C1 ZINC001460868237 1067738435 /nfs/dbraw/zinc/73/84/35/1067738435.db2.gz DLOBGCNZJGVSAC-SANMLTNESA-N 1 1 454.615 4.570 20 0 JJADMO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@@H+](CC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)C1 ZINC001460868237 1067738444 /nfs/dbraw/zinc/73/84/44/1067738444.db2.gz DLOBGCNZJGVSAC-SANMLTNESA-N 1 1 454.615 4.570 20 0 JJADMO Cc1ccc(NC(=O)NC(=O)CN[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c(C)c1 ZINC001460876668 1067740478 /nfs/dbraw/zinc/74/04/78/1067740478.db2.gz XEMKVQPFRGQORB-ABYGYWHVSA-N 1 1 470.617 4.599 20 0 JJADMO Cc1ccc(NC(=O)NC(=O)C[NH2+][C@]2(C)CN(Cc3ccccc3)C[C@H]2c2ccccc2)c(C)c1 ZINC001460876668 1067740483 /nfs/dbraw/zinc/74/04/83/1067740483.db2.gz XEMKVQPFRGQORB-ABYGYWHVSA-N 1 1 470.617 4.599 20 0 JJADMO C[C@@H]1CN(C(=O)c2ccc(Br)c(OC(F)(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC001460892318 1067744744 /nfs/dbraw/zinc/74/47/44/1067744744.db2.gz VBSZMTYBVLDZCQ-CQSZACIVSA-N 1 1 457.290 4.694 20 0 JJADMO C[C@@H]1CN(C(=O)c2ccc(Br)c(OC(F)(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC001460892318 1067744750 /nfs/dbraw/zinc/74/47/50/1067744750.db2.gz VBSZMTYBVLDZCQ-CQSZACIVSA-N 1 1 457.290 4.694 20 0 JJADMO COc1ccccc1NC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)C1 ZINC001460910708 1067746646 /nfs/dbraw/zinc/74/66/46/1067746646.db2.gz ZIAAKITXJRJITF-JXALWOEJSA-N 1 1 459.590 4.765 20 0 JJADMO CCOc1ccc(CC[N@@H+](C)[C@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1 ZINC001460921113 1067748371 /nfs/dbraw/zinc/74/83/71/1067748371.db2.gz UZRFUFNEBBYOFP-GOSISDBHSA-N 1 1 451.592 4.901 20 0 JJADMO CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)C[N@@H+](C)[C@@H]1CCc2ccccc2C1 ZINC001460930782 1067749976 /nfs/dbraw/zinc/74/99/76/1067749976.db2.gz BQQDOSIBUXXPQK-LJQANCHMSA-N 1 1 451.592 4.518 20 0 JJADMO O=C(C[N@@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC001460931952 1067750305 /nfs/dbraw/zinc/75/03/05/1067750305.db2.gz UAHDBKAANKHTEB-AUSIDOKSSA-N 1 1 453.007 4.965 20 0 JJADMO O=C(C[N@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC001460931952 1067750314 /nfs/dbraw/zinc/75/03/14/1067750314.db2.gz UAHDBKAANKHTEB-AUSIDOKSSA-N 1 1 453.007 4.965 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1nnc(-c3c(Cl)cccc3Cl)o1)C2 ZINC001460931887 1067750465 /nfs/dbraw/zinc/75/04/65/1067750465.db2.gz QVARCRUDFYFBMV-MJBXVCDLSA-N 1 1 453.370 4.921 20 0 JJADMO CC(C)(C)OC(=O)NC[C@]12C[N@@H+](CC3CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]1CCCC2 ZINC001460978802 1067755988 /nfs/dbraw/zinc/75/59/88/1067755988.db2.gz VNWPFBSNMWDKGM-NBGIEHNGSA-N 1 1 451.652 4.650 20 0 JJADMO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1C[C@@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460980046 1067756499 /nfs/dbraw/zinc/75/64/99/1067756499.db2.gz YBNAQANZPHNRHC-XVTZWQNCSA-N 1 1 458.628 4.640 20 0 JJADMO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1C[C@@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460980046 1067756512 /nfs/dbraw/zinc/75/65/12/1067756512.db2.gz YBNAQANZPHNRHC-XVTZWQNCSA-N 1 1 458.628 4.640 20 0 JJADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc2cc(Br)ccc2c1 ZINC001460983446 1067756824 /nfs/dbraw/zinc/75/68/24/1067756824.db2.gz QBSKGTJWILJMEC-ISKFKSNPSA-N 1 1 467.407 4.869 20 0 JJADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)Cc1csc(-c2ccc(CC)cc2)n1 ZINC001460983524 1067756865 /nfs/dbraw/zinc/75/68/65/1067756865.db2.gz RMMCRIHFIRTBGE-ILBGXUMGSA-N 1 1 463.647 4.568 20 0 JJADMO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC3(CCC[C@@H]3CNC(=O)OC(C)(C)C)CC2)c1 ZINC001460982902 1067756955 /nfs/dbraw/zinc/75/69/55/1067756955.db2.gz SCNFWOZDKZANEZ-WIYYLYMNSA-N 1 1 457.615 4.623 20 0 JJADMO CCC1(CC)CN(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCC[C@@H]2C)CCS1 ZINC001546120951 1067765804 /nfs/dbraw/zinc/76/58/04/1067765804.db2.gz FQJFZMLFFVZIKQ-IBGZPJMESA-N 1 1 461.651 4.593 20 0 JJADMO C[C@H]([NH2+]Cc1ccc(F)cc1I)c1ccc(NC(=O)NC2CC2)cc1 ZINC001461050549 1067769924 /nfs/dbraw/zinc/76/99/24/1067769924.db2.gz IDSLFYUFJVKPBT-LBPRGKRZSA-N 1 1 453.299 4.565 20 0 JJADMO Cc1nn(C(C)(C)C)c2nc(Cl)c(C[NH2+]Cc3cccc(NC(=O)[C@@H]4CCCO4)c3)cc12 ZINC001461092319 1067780192 /nfs/dbraw/zinc/78/01/92/1067780192.db2.gz IJPOSFUKLJETOS-FQEVSTJZSA-N 1 1 455.990 4.555 20 0 JJADMO Cc1nn(C(C)(C)C)c2nc(Cl)c(C[NH2+]Cc3cccc(NC(=O)[C@H]4CCCO4)c3)cc12 ZINC001461092322 1067780272 /nfs/dbraw/zinc/78/02/72/1067780272.db2.gz IJPOSFUKLJETOS-HXUWFJFHSA-N 1 1 455.990 4.555 20 0 JJADMO CC(C)(C)OC(=O)N1CCc2nc(C[NH2+]CCOc3cccc(Cl)c3Cl)sc2C1 ZINC001461094614 1067781015 /nfs/dbraw/zinc/78/10/15/1067781015.db2.gz IVMJULCDTUCBKM-UHFFFAOYSA-N 1 1 458.411 4.912 20 0 JJADMO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 ZINC001461101020 1067781972 /nfs/dbraw/zinc/78/19/72/1067781972.db2.gz OEOUTENDQMZPNN-LBPRGKRZSA-N 1 1 456.420 4.876 20 0 JJADMO CC(C)N(C(=O)c1cccc(OCC(=O)OC(C)(C)C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001461117695 1067784876 /nfs/dbraw/zinc/78/48/76/1067784876.db2.gz YBVSXQUUFHNKCV-QHCPKHFHSA-N 1 1 452.595 4.532 20 0 JJADMO Clc1nc2cc(Cl)ccn2c1CNCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001461160196 1067791390 /nfs/dbraw/zinc/79/13/90/1067791390.db2.gz IOCRVILQUGXUCO-UHFFFAOYSA-N 1 1 452.817 4.596 20 0 JJADMO Fc1ccc([C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2I)cc1 ZINC001461202207 1067798621 /nfs/dbraw/zinc/79/86/21/1067798621.db2.gz LEEDLZDFVREHQD-OPYAIIAOSA-N 1 1 450.339 4.736 20 0 JJADMO COCCOc1cccc(C[NH2+][C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)c1 ZINC001461216784 1067801721 /nfs/dbraw/zinc/80/17/21/1067801721.db2.gz LGCBMOJXFAJUHU-SANMLTNESA-N 1 1 453.604 4.611 20 0 JJADMO C[C@@H](NC1(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)CCOCC1)c1ccccc1 ZINC001461229228 1067804983 /nfs/dbraw/zinc/80/49/83/1067804983.db2.gz LFDKVDQWRNASTH-GOSISDBHSA-N 1 1 457.412 4.715 20 0 JJADMO Cc1ccc(C[NH2+]Cc2cccc(F)c2I)c(OCC(F)(F)F)c1 ZINC001461287871 1067818609 /nfs/dbraw/zinc/81/86/09/1067818609.db2.gz XMDYAZVAJZBNFB-UHFFFAOYSA-N 1 1 453.217 4.970 20 0 JJADMO C[C@@H]1CN(C(=O)c2csc(COc3ccc(F)cc3)n2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001461298609 1067821510 /nfs/dbraw/zinc/82/15/10/1067821510.db2.gz DFSKRPATPLNUNC-CEXWTWQISA-N 1 1 453.583 4.985 20 0 JJADMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1csc(COc2ccc(F)cc2)n1 ZINC001461298611 1067821897 /nfs/dbraw/zinc/82/18/97/1067821897.db2.gz DFSKRPATPLNUNC-GBESFXJTSA-N 1 1 453.583 4.985 20 0 JJADMO CSc1nc(-c2ccco2)nc(C)c1C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC001461298906 1067822114 /nfs/dbraw/zinc/82/21/14/1067822114.db2.gz GPOZPWLIIMTOLS-WDSOQIARSA-N 1 1 450.608 4.890 20 0 JJADMO CN1CC[NH+](CCCOc2ccc(NC(=O)c3cc(Cl)cc(C(F)(F)F)c3)cc2)CC1 ZINC001461346851 1067835277 /nfs/dbraw/zinc/83/52/77/1067835277.db2.gz TYZINFDEFKENFM-UHFFFAOYSA-N 1 1 455.908 4.627 20 0 JJADMO COc1cc(Br)c(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1OC ZINC001461381226 1067842633 /nfs/dbraw/zinc/84/26/33/1067842633.db2.gz LBDPUDUTRWHMII-SYYKKAFVSA-N 1 1 459.428 4.857 20 0 JJADMO Ic1ccc(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC001461382482 1067843440 /nfs/dbraw/zinc/84/34/40/1067843440.db2.gz NKEMKAZPBPNCDM-BHIYHBOVSA-N 1 1 452.405 4.743 20 0 JJADMO Ic1ccc(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC001461382482 1067843445 /nfs/dbraw/zinc/84/34/45/1067843445.db2.gz NKEMKAZPBPNCDM-BHIYHBOVSA-N 1 1 452.405 4.743 20 0 JJADMO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CNC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001461429948 1067853975 /nfs/dbraw/zinc/85/39/75/1067853975.db2.gz FOKXKEAQVCDTSS-JOCHJYFZSA-N 1 1 459.421 4.868 20 0 JJADMO O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1I ZINC001461431785 1067855038 /nfs/dbraw/zinc/85/50/38/1067855038.db2.gz MFZOECKSVNGCKM-OAQYLSRUSA-N 1 1 456.327 4.631 20 0 JJADMO COC(=O)c1ccc2c(c1)[C@H](CNC(=O)c1cccc(C[N@@H+](C)Cc3ccccc3)c1)CCC2 ZINC001461447459 1067859033 /nfs/dbraw/zinc/85/90/33/1067859033.db2.gz YUZTVWIKWOIRNB-SANMLTNESA-N 1 1 456.586 4.955 20 0 JJADMO COc1cc(C[NH2+]Cc2ccc(Cl)cc2I)cc(Cl)c1OC ZINC001461464512 1067862804 /nfs/dbraw/zinc/86/28/04/1067862804.db2.gz VRTPAWGURFYMOH-UHFFFAOYSA-N 1 1 452.119 4.905 20 0 JJADMO OC[C@H]([NH2+]Cc1cc(Cl)cc2c1OCC2)c1ccc(Br)cc1C(F)(F)F ZINC001461465542 1067863613 /nfs/dbraw/zinc/86/36/13/1067863613.db2.gz UVONMZHVGZEPKD-INIZCTEOSA-N 1 1 450.682 4.879 20 0 JJADMO O[C@H](CNCc1ccc(-c2cccc(Br)c2)s1)C[N@@H+]1CCc2ccccc2C1 ZINC001461524291 1067880947 /nfs/dbraw/zinc/88/09/47/1067880947.db2.gz XOSILQBIQWOUBV-OAQYLSRUSA-N 1 1 457.437 4.686 20 0 JJADMO O[C@H](CNCc1ccc(-c2cccc(Br)c2)s1)C[N@H+]1CCc2ccccc2C1 ZINC001461524291 1067880962 /nfs/dbraw/zinc/88/09/62/1067880962.db2.gz XOSILQBIQWOUBV-OAQYLSRUSA-N 1 1 457.437 4.686 20 0 JJADMO CC(C)(C)OC(=O)N1CCCc2cc(C[NH2+]Cc3ncc(Br)cc3F)ccc21 ZINC001461536828 1067883788 /nfs/dbraw/zinc/88/37/88/1067883788.db2.gz IBUCKXKUBZUNSC-UHFFFAOYSA-N 1 1 450.352 4.961 20 0 JJADMO CN(C(=O)c1ccc(NCc2oc3ccccc3c2Br)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC001461564042 1067889141 /nfs/dbraw/zinc/88/91/41/1067889141.db2.gz IYZBGDCYTUQWSO-SFHVURJKSA-N 1 1 456.384 4.974 20 0 JJADMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)c1 ZINC001461574934 1067891529 /nfs/dbraw/zinc/89/15/29/1067891529.db2.gz CWGBCACKVICEAY-UHFFFAOYSA-N 1 1 458.027 4.962 20 0 JJADMO Cc1ccc(O[C@@H](C)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C(C)C)C2)c(Br)c1 ZINC001461593397 1067896684 /nfs/dbraw/zinc/89/66/84/1067896684.db2.gz AHGXZHKOMQEPHU-UGKGYDQZSA-N 1 1 459.428 4.894 20 0 JJADMO CCCOc1c(Br)cc(Br)cc1C[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC001461604615 1067899961 /nfs/dbraw/zinc/89/99/61/1067899961.db2.gz HFWCZUDSEOWRHJ-ROUUACIJSA-N 1 1 455.190 4.748 20 0 JJADMO COc1cc(CNC2(CCO)CC[NH+](C)CC2)ccc1OCc1ccc(Cl)cc1Cl ZINC001461608854 1067900863 /nfs/dbraw/zinc/90/08/63/1067900863.db2.gz BVYXSEOMRJKZPT-UHFFFAOYSA-N 1 1 453.410 4.517 20 0 JJADMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2c(C)onc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC001461677355 1067916431 /nfs/dbraw/zinc/91/64/31/1067916431.db2.gz LEVUTIHTNZCQOL-IBGZPJMESA-N 1 1 459.468 4.682 20 0 JJADMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2c(C)onc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC001461677355 1067916442 /nfs/dbraw/zinc/91/64/42/1067916442.db2.gz LEVUTIHTNZCQOL-IBGZPJMESA-N 1 1 459.468 4.682 20 0 JJADMO CC(C)(C)OC(=O)N1CC(C)(C)CC[C@H]1C[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC001461694623 1067920024 /nfs/dbraw/zinc/92/00/24/1067920024.db2.gz ZUVNGEKZCRSDPE-KRWDZBQOSA-N 1 1 451.974 4.575 20 0 JJADMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC001461721802 1067925535 /nfs/dbraw/zinc/92/55/35/1067925535.db2.gz FPHQKBRPHKUNIJ-XMMPIXPASA-N 1 1 451.611 4.785 20 0 JJADMO O[C@@](C[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)(c1ccccc1Cl)C(F)(F)F ZINC001461836561 1067944680 /nfs/dbraw/zinc/94/46/80/1067944680.db2.gz GKPPPFWVVSLAJD-IBGZPJMESA-N 1 1 456.873 4.732 20 0 JJADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC001461844565 1067945300 /nfs/dbraw/zinc/94/53/00/1067945300.db2.gz JYPFRFYOMVVGLP-PGRDOPGGSA-N 1 1 459.428 4.950 20 0 JJADMO CC(C)(C)OC(=O)Nc1ccc(-c2cccc(C[N@H+]3CCC[C@@H]3[C@@H](O)C(F)(F)F)n2)cc1 ZINC001461849752 1067946555 /nfs/dbraw/zinc/94/65/55/1067946555.db2.gz NBPBJTOVNLJPGV-WOJBJXKFSA-N 1 1 451.489 4.983 20 0 JJADMO COC(=O)c1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1Br ZINC001461862087 1067949166 /nfs/dbraw/zinc/94/91/66/1067949166.db2.gz MYBXGDWYZADHOC-REWPJTCUSA-N 1 1 457.412 4.722 20 0 JJADMO COc1ccc(C[N@@H+](C)C2CCC(NC(=O)OC(C)(C)C)CC2)c(OCc2cccnc2)c1 ZINC001461879599 1067953202 /nfs/dbraw/zinc/95/32/02/1067953202.db2.gz GMYOWGUASVQPFU-UHFFFAOYSA-N 1 1 455.599 4.937 20 0 JJADMO CO[C@@H](C)c1nc(CN2CCC[N@@H+](Cc3c(C)nn(-c4ccccc4C)c3C)CC2)cs1 ZINC001461880425 1067953660 /nfs/dbraw/zinc/95/36/60/1067953660.db2.gz GZYJZODSHQDZGA-NRFANRHFSA-N 1 1 453.656 4.669 20 0 JJADMO CO[C@H](C)c1nc(CN2CCC[N@@H+](Cc3c(C)nn(-c4ccccc4C)c3C)CC2)cs1 ZINC001461880432 1067953713 /nfs/dbraw/zinc/95/37/13/1067953713.db2.gz GZYJZODSHQDZGA-OAQYLSRUSA-N 1 1 453.656 4.669 20 0 JJADMO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)C(C)C)cc1 ZINC001461900603 1067958066 /nfs/dbraw/zinc/95/80/66/1067958066.db2.gz VVSTYFPRWHBONJ-LJQANCHMSA-N 1 1 458.505 4.834 20 0 JJADMO CCC[N@@H+](Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCc2ccccc2C1 ZINC001461910128 1067959616 /nfs/dbraw/zinc/95/96/16/1067959616.db2.gz FNALFKTUYYIKBG-DHIUTWEWSA-N 1 1 453.631 4.620 20 0 JJADMO Cc1cc(C[N@H+](Cc2cn(C)nc2-c2ccc(F)cc2)CC(C)C)nc(N2CCCCC2)n1 ZINC001461914085 1067960139 /nfs/dbraw/zinc/96/01/39/1067960139.db2.gz RPJXFZNDVXKKNK-UHFFFAOYSA-N 1 1 450.606 4.973 20 0 JJADMO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001461914220 1067960159 /nfs/dbraw/zinc/96/01/59/1067960159.db2.gz URPMNMNGAPTGDJ-OLZOCXBDSA-N 1 1 455.493 4.986 20 0 JJADMO CCN(C)c1ccc(C[NH+]2CCN(c3ccc(Br)cc3C(F)(F)F)CC2)cn1 ZINC001461912503 1067960235 /nfs/dbraw/zinc/96/02/35/1067960235.db2.gz SWWOFDHWPYKSSL-UHFFFAOYSA-N 1 1 457.338 4.641 20 0 JJADMO C[N@H+](CCCc1ccccc1)Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC001461924005 1067962383 /nfs/dbraw/zinc/96/23/83/1067962383.db2.gz AZTZSUCKSUTOAY-UHFFFAOYSA-N 1 1 456.471 4.650 20 0 JJADMO C[N@@H+](CCCc1ccccc1)Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC001461924005 1067962388 /nfs/dbraw/zinc/96/23/88/1067962388.db2.gz AZTZSUCKSUTOAY-UHFFFAOYSA-N 1 1 456.471 4.650 20 0 JJADMO CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(CN3CCC[N@@H+](CC4CCCCC4)CC3)o2)C1 ZINC001461937830 1067964411 /nfs/dbraw/zinc/96/44/11/1067964411.db2.gz QPWOIDRLQHRDPZ-QHCPKHFHSA-N 1 1 459.675 4.926 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H](n2nncc2C[N@H+]2CCCC[C@H]2Cc2ccc(F)cc2)C1 ZINC001461948940 1067967242 /nfs/dbraw/zinc/96/72/42/1067967242.db2.gz JLQLREVTCIDTDY-FCHUYYIVSA-N 1 1 457.594 4.586 20 0 JJADMO FC(F)(F)Oc1ccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cc1Br ZINC001461963967 1067969887 /nfs/dbraw/zinc/96/98/87/1067969887.db2.gz BSJKZRWBTALMCN-MRXNPFEDSA-N 1 1 452.311 4.898 20 0 JJADMO OCCC[N@H+](Cc1sc(N2CCOCC2)nc1Cl)C(c1ccccc1)c1ccccc1 ZINC001461964151 1067969938 /nfs/dbraw/zinc/96/99/38/1067969938.db2.gz CPDSDWISQDBUKJ-UHFFFAOYSA-N 1 1 458.027 4.607 20 0 JJADMO OCCC[N@@H+](Cc1sc(N2CCOCC2)nc1Cl)C(c1ccccc1)c1ccccc1 ZINC001461964151 1067969942 /nfs/dbraw/zinc/96/99/42/1067969942.db2.gz CPDSDWISQDBUKJ-UHFFFAOYSA-N 1 1 458.027 4.607 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)CC(F)(F)F ZINC001461965162 1067970443 /nfs/dbraw/zinc/97/04/43/1067970443.db2.gz NRBALPUUFWCLNR-FQEVSTJZSA-N 1 1 455.565 4.820 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)CC(F)(F)F ZINC001461965162 1067970449 /nfs/dbraw/zinc/97/04/49/1067970449.db2.gz NRBALPUUFWCLNR-FQEVSTJZSA-N 1 1 455.565 4.820 20 0 JJADMO C[N@H+](Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)[C@H]1CCCN(c2ccccc2)C1=O ZINC001461971755 1067971875 /nfs/dbraw/zinc/97/18/75/1067971875.db2.gz VNSZQODGMFKULE-NRFANRHFSA-N 1 1 455.624 4.669 20 0 JJADMO C[N@@H+](Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)[C@H]1CCCN(c2ccccc2)C1=O ZINC001461971755 1067971880 /nfs/dbraw/zinc/97/18/80/1067971880.db2.gz VNSZQODGMFKULE-NRFANRHFSA-N 1 1 455.624 4.669 20 0 JJADMO CC[C@H]1CCC[C@@H](C[NH+]2CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)C1 ZINC001461971383 1067972091 /nfs/dbraw/zinc/97/20/91/1067972091.db2.gz PARSUTVXSQMQJX-JKSUJKDBSA-N 1 1 452.970 4.882 20 0 JJADMO CC[N@@H+](Cc1cc(Br)cnc1F)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001461985807 1067975302 /nfs/dbraw/zinc/97/53/02/1067975302.db2.gz GLJRCKDQDSQTFD-UHFFFAOYSA-N 1 1 450.400 4.696 20 0 JJADMO COC(=O)COc1ccccc1C[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccc(C)cc2)C1 ZINC001461986266 1067975631 /nfs/dbraw/zinc/97/56/31/1067975631.db2.gz JXRYZVKENQCMAG-UHFFFAOYSA-N 1 1 459.546 4.749 20 0 JJADMO COC(=O)COc1ccccc1C[N@H+]1CCc2c(cccc2NC(=O)Nc2ccc(C)cc2)C1 ZINC001461986266 1067975635 /nfs/dbraw/zinc/97/56/35/1067975635.db2.gz JXRYZVKENQCMAG-UHFFFAOYSA-N 1 1 459.546 4.749 20 0 JJADMO C[C@]1(c2ccccc2)CC[C@@H]([NH+]2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC001462017092 1067981795 /nfs/dbraw/zinc/98/17/95/1067981795.db2.gz GCVCOVQEGQNVCC-GCJKJVERSA-N 1 1 453.435 4.810 20 0 JJADMO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+](Cc2ccco2)Cc2cccs2)cnn1C ZINC001462036055 1067985512 /nfs/dbraw/zinc/98/55/12/1067985512.db2.gz CZLVVTNHMCMWPD-IBGZPJMESA-N 1 1 458.628 4.769 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)Cc2cccc(OC)c2Cl)cc1 ZINC001462102414 1068002947 /nfs/dbraw/zinc/00/29/47/1068002947.db2.gz BISXKQHEDDSBCG-BJKOFHAPSA-N 1 1 464.993 4.684 20 0 JJADMO CCc1c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)cnn1CC(C)C ZINC001462107056 1068004817 /nfs/dbraw/zinc/00/48/17/1068004817.db2.gz IWFGDZLXLIRSMZ-IZZNHLLZSA-N 1 1 460.622 4.508 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)[C@H](C)OCc2ccc(C)cc2)cc1 ZINC001462113195 1068006870 /nfs/dbraw/zinc/00/68/70/1068006870.db2.gz WVJMGKYRLFWYHH-QLCOJLISSA-N 1 1 458.602 4.693 20 0 JJADMO COC(=O)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001462122877 1068009830 /nfs/dbraw/zinc/00/98/30/1068009830.db2.gz BLSWKWWBKMOTPO-WMZOPIPTSA-N 1 1 458.521 4.716 20 0 JJADMO COC(=O)C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001462122877 1068009844 /nfs/dbraw/zinc/00/98/44/1068009844.db2.gz BLSWKWWBKMOTPO-WMZOPIPTSA-N 1 1 458.521 4.716 20 0 JJADMO CC(C)(C)OC(=O)NCc1cccc(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)c1 ZINC001462149781 1068015703 /nfs/dbraw/zinc/01/57/03/1068015703.db2.gz QVZSEDUWCLLMBR-AREMUKBSSA-N 1 1 459.631 4.934 20 0 JJADMO CC(C)(C)OC(=O)NCC[C@H]1CCC[N@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC001462152366 1068017058 /nfs/dbraw/zinc/01/70/58/1068017058.db2.gz UMLIPYFJGCBBHM-OAHLLOKOSA-N 1 1 454.402 4.701 20 0 JJADMO CC(C)(C)OC(=O)NCC[C@H]1CCC[N@@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC001462152366 1068017072 /nfs/dbraw/zinc/01/70/72/1068017072.db2.gz UMLIPYFJGCBBHM-OAHLLOKOSA-N 1 1 454.402 4.701 20 0 JJADMO CC(=O)N(c1nc(C[NH2+]C[C@H](O)c2ccc(F)cc2)cs1)c1cccc(C(F)(F)F)c1 ZINC001462156704 1068018261 /nfs/dbraw/zinc/01/82/61/1068018261.db2.gz JVBBACVJYDQYPH-IBGZPJMESA-N 1 1 453.461 4.809 20 0 JJADMO C[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nc(-c2ccc(Br)cc2)no1 ZINC001462181493 1068023469 /nfs/dbraw/zinc/02/34/69/1068023469.db2.gz ARUHNYAGMBHERK-BBRMVZONSA-N 1 1 451.365 4.549 20 0 JJADMO CC(C)(C)OC(=O)NCCC[N@@H+](CC1CCCC1)CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC001462216388 1068030947 /nfs/dbraw/zinc/03/09/47/1068030947.db2.gz RBSOHFFVBGZWEH-UHFFFAOYSA-N 1 1 451.652 4.793 20 0 JJADMO CC(C)[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC001462223021 1068031797 /nfs/dbraw/zinc/03/17/97/1068031797.db2.gz SJGYPWWFNUYQLE-UHFFFAOYSA-N 1 1 451.327 4.961 20 0 JJADMO Fc1ccc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(I)c1 ZINC001462227506 1068033341 /nfs/dbraw/zinc/03/33/41/1068033341.db2.gz UJVSHRRPSQQTNU-OAQYLSRUSA-N 1 1 450.339 4.528 20 0 JJADMO CC1CCN(C(=O)OC[C@@H]2CCCC[N@@H+]2Cc2cnc(NC(=O)OC(C)(C)C)s2)CC1 ZINC001462231436 1068033972 /nfs/dbraw/zinc/03/39/72/1068033972.db2.gz VYVJUQDGLBSDGQ-KRWDZBQOSA-N 1 1 452.621 4.713 20 0 JJADMO CC1CCN(C(=O)OC[C@@H]2CCCC[N@H+]2Cc2cnc(NC(=O)OC(C)(C)C)s2)CC1 ZINC001462231436 1068033988 /nfs/dbraw/zinc/03/39/88/1068033988.db2.gz VYVJUQDGLBSDGQ-KRWDZBQOSA-N 1 1 452.621 4.713 20 0 JJADMO CC(C)(C)OC(=O)NCC[C@@H]([NH2+]C1CC(c2ccc(Br)cc2F)C1)C(F)F ZINC001462248937 1068037319 /nfs/dbraw/zinc/03/73/19/1068037319.db2.gz RBHUIJDRGCAWRZ-IJGSQOGDSA-N 1 1 451.327 4.972 20 0 JJADMO C[C@H]1C[C@H](NCc2c(Br)cncc2Br)C[N@@H+](Cc2ccccc2)C1 ZINC001462255828 1068038710 /nfs/dbraw/zinc/03/87/10/1068038710.db2.gz AMQKFOHJFLZNBV-HOCLYGCPSA-N 1 1 453.222 4.607 20 0 JJADMO C[C@H]1C[C@H]([NH2+]Cc2c(Br)cncc2Br)CN(Cc2ccccc2)C1 ZINC001462255828 1068038725 /nfs/dbraw/zinc/03/87/25/1068038725.db2.gz AMQKFOHJFLZNBV-HOCLYGCPSA-N 1 1 453.222 4.607 20 0 JJADMO Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc3cccc(Br)c32)C1 ZINC001462257902 1068039760 /nfs/dbraw/zinc/03/97/60/1068039760.db2.gz HPUFRZQSYAWHID-FQEVSTJZSA-N 1 1 453.380 4.542 20 0 JJADMO Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)c2cccc3cccc(Br)c32)C1 ZINC001462257902 1068039772 /nfs/dbraw/zinc/03/97/72/1068039772.db2.gz HPUFRZQSYAWHID-FQEVSTJZSA-N 1 1 453.380 4.542 20 0 JJADMO Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)c2cc(F)c(Oc3ccccc3)c(F)c2)C1 ZINC001462258788 1068040213 /nfs/dbraw/zinc/04/02/13/1068040213.db2.gz KNYPKKUGKPBVGN-JOCHJYFZSA-N 1 1 452.501 4.696 20 0 JJADMO Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)c2cc(F)c(Oc3ccccc3)c(F)c2)C1 ZINC001462258788 1068040227 /nfs/dbraw/zinc/04/02/27/1068040227.db2.gz KNYPKKUGKPBVGN-JOCHJYFZSA-N 1 1 452.501 4.696 20 0 JJADMO Brc1ncccc1C[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001462263308 1068040698 /nfs/dbraw/zinc/04/06/98/1068040698.db2.gz PHBKNZPLUKEIFH-AWEZNQCLSA-N 1 1 457.153 4.513 20 0 JJADMO COc1nc2ccccc2cc1C[N@H+]1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001462335475 1068053414 /nfs/dbraw/zinc/05/34/14/1068053414.db2.gz FXVGZTOBAPCOQP-JTHBVZDNSA-N 1 1 451.542 4.875 20 0 JJADMO COc1nc2ccccc2cc1C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001462335475 1068053426 /nfs/dbraw/zinc/05/34/26/1068053426.db2.gz FXVGZTOBAPCOQP-JTHBVZDNSA-N 1 1 451.542 4.875 20 0 JJADMO Cn1cc([C@@H]2C[N@@H+](Cc3ccc(Oc4cccc(F)c4)cc3)C[C@H]2NC(=O)OC(C)(C)C)cn1 ZINC001462368863 1068061565 /nfs/dbraw/zinc/06/15/65/1068061565.db2.gz BTCNRWKKCQUHMV-BJKOFHAPSA-N 1 1 466.557 4.844 20 0 JJADMO C[N@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1cc(C(F)(F)F)ccc1Br ZINC001462372014 1068061937 /nfs/dbraw/zinc/06/19/37/1068061937.db2.gz JEEINPACYIASCP-UHFFFAOYSA-N 1 1 455.274 4.586 20 0 JJADMO C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1cc(C(F)(F)F)ccc1Br ZINC001462372014 1068061949 /nfs/dbraw/zinc/06/19/49/1068061949.db2.gz JEEINPACYIASCP-UHFFFAOYSA-N 1 1 455.274 4.586 20 0 JJADMO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@H+](Cc1cccc(F)c1I)C2 ZINC001462410403 1068068122 /nfs/dbraw/zinc/06/81/22/1068068122.db2.gz KWZSISVBQSMPLZ-YWZLYKJASA-N 1 1 474.358 4.557 20 0 JJADMO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@@H+](Cc1cccc(F)c1I)C2 ZINC001462410403 1068068134 /nfs/dbraw/zinc/06/81/34/1068068134.db2.gz KWZSISVBQSMPLZ-YWZLYKJASA-N 1 1 474.358 4.557 20 0 JJADMO COC(=O)c1ccc(COc2ccc(C[N@H+]3CCS[C@H](c4ccccc4)C3)cc2OC)o1 ZINC001462415174 1068070082 /nfs/dbraw/zinc/07/00/82/1068070082.db2.gz OPMXBAXKBSPEDD-DEOSSOPVSA-N 1 1 453.560 4.944 20 0 JJADMO Cc1ccc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)c(-c2cnn(C)c2)c1 ZINC001462425197 1068071735 /nfs/dbraw/zinc/07/17/35/1068071735.db2.gz FQAPYYFWHYZMJI-MSOLQXFVSA-N 1 1 453.222 4.723 20 0 JJADMO Fc1cc(Br)c(C[NH2+]C[C@]23OCCC[C@H]2C3(F)F)c(N2CCCCC2)c1F ZINC001462441663 1068074673 /nfs/dbraw/zinc/07/46/73/1068074673.db2.gz NNNPDUCJMHKPFB-QAPCUYQASA-N 1 1 451.302 4.622 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)/C=C\c3ccsc3C(F)(F)F)C2)O1 ZINC001462445678 1068076337 /nfs/dbraw/zinc/07/63/37/1068076337.db2.gz QEONOPQVYJCMEN-HTNYWEHUSA-N 1 1 450.526 4.672 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)/C=C\c3ccsc3C(F)(F)F)C2)O1 ZINC001462445678 1068076352 /nfs/dbraw/zinc/07/63/52/1068076352.db2.gz QEONOPQVYJCMEN-HTNYWEHUSA-N 1 1 450.526 4.672 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)C2)O1 ZINC001462449389 1068077089 /nfs/dbraw/zinc/07/70/89/1068077089.db2.gz YDOFRLNKKGSZDK-ZHRRBRCNSA-N 1 1 452.904 4.864 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)C2)O1 ZINC001462449389 1068077102 /nfs/dbraw/zinc/07/71/02/1068077102.db2.gz YDOFRLNKKGSZDK-ZHRRBRCNSA-N 1 1 452.904 4.864 20 0 JJADMO Cc1ccc(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)cc1NC(=O)OC(C)(C)C ZINC001462461231 1068079099 /nfs/dbraw/zinc/07/90/99/1068079099.db2.gz FVFJUTKPOHMDSR-QFIPXVFZSA-N 1 1 450.583 4.879 20 0 JJADMO CCc1ccc(C[NH+]2CCN(C(=O)C3CCC(NC(=O)CC4CCCCC4)CC3)CC2)cc1 ZINC001462467540 1068080574 /nfs/dbraw/zinc/08/05/74/1068080574.db2.gz FRJZSUFEGRHTHO-UHFFFAOYSA-N 1 1 453.671 4.539 20 0 JJADMO COc1ccc([C@H]2CC[N@@H+](Cc3ccc(N4CCC(C(=O)OC(C)(C)C)CC4)o3)C2)cc1F ZINC001462483372 1068083181 /nfs/dbraw/zinc/08/31/81/1068083181.db2.gz WPZUDNYGXBMTRZ-FQEVSTJZSA-N 1 1 458.574 4.975 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3c(C)nn(C(C)(C)C)c3C)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001462520745 1068090349 /nfs/dbraw/zinc/09/03/49/1068090349.db2.gz RLIJIZXWKGKBAG-XZOQPEGZSA-N 1 1 456.631 4.756 20 0 JJADMO CCOC(=O)c1sc(C2CC[NH+](Cc3cccc(Br)c3OC)CC2)nc1C ZINC001462530581 1068092665 /nfs/dbraw/zinc/09/26/65/1068092665.db2.gz JPSFFEOOJKKPLM-UHFFFAOYSA-N 1 1 453.402 4.779 20 0 JJADMO Cn1cc(C[N@@H+]2CCOc3cc(NC(=O)OC(C)(C)C)ccc3C2)c(-c2ccc(F)cc2)n1 ZINC001462530377 1068092782 /nfs/dbraw/zinc/09/27/82/1068092782.db2.gz URMHAPBZLLBQQS-UHFFFAOYSA-N 1 1 452.530 4.968 20 0 JJADMO Cn1cc(C[N@H+]2CCOc3cc(NC(=O)OC(C)(C)C)ccc3C2)c(-c2ccc(F)cc2)n1 ZINC001462530377 1068092795 /nfs/dbraw/zinc/09/27/95/1068092795.db2.gz URMHAPBZLLBQQS-UHFFFAOYSA-N 1 1 452.530 4.968 20 0 JJADMO C[C@H](CCc1cncc2ccccc21)[NH2+]CCCCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC001462562581 1068098568 /nfs/dbraw/zinc/09/85/68/1068098568.db2.gz GXABDIDUCGNVHE-JOCHJYFZSA-N 1 1 454.659 4.869 20 0 JJADMO Clc1nc(N2CCOCC2)sc1C[NH2+]Cc1cc(Br)c2ccccc2c1 ZINC001462572368 1068101027 /nfs/dbraw/zinc/10/10/27/1068101027.db2.gz HDSXRKUCSYASBR-UHFFFAOYSA-N 1 1 452.805 4.839 20 0 JJADMO COC(=O)c1ccc(COc2ccc(C[N@H+]3CC[C@H](c4c(F)cccc4F)C3)cc2OC)o1 ZINC001462576249 1068102511 /nfs/dbraw/zinc/10/25/11/1068102511.db2.gz BVNRGEOCGQJNGS-KRWDZBQOSA-N 1 1 457.473 4.922 20 0 JJADMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3cn(Cc4ccccc4)nc3C(C)(C)C)C[C@]2(C)C1 ZINC001462578039 1068103260 /nfs/dbraw/zinc/10/32/60/1068103260.db2.gz UEYIWORHYUOWJL-WXVAWEFUSA-N 1 1 452.643 4.918 20 0 JJADMO CCn1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)c(-c2ccccc2)n1 ZINC001462588559 1068105723 /nfs/dbraw/zinc/10/57/23/1068105723.db2.gz JGGDSBCLDIFLCX-RBUKOAKNSA-N 1 1 452.521 4.848 20 0 JJADMO CCn1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)c(-c2ccccc2)n1 ZINC001462588559 1068105725 /nfs/dbraw/zinc/10/57/25/1068105725.db2.gz JGGDSBCLDIFLCX-RBUKOAKNSA-N 1 1 452.521 4.848 20 0 JJADMO CCn1cc(C[N@H+]2CCOC3(CCC(NC(=O)OC(C)(C)C)CC3)C2)c(-c2ccccc2)n1 ZINC001462610939 1068111545 /nfs/dbraw/zinc/11/15/45/1068111545.db2.gz IIYCSASACIXGQJ-UHFFFAOYSA-N 1 1 454.615 4.608 20 0 JJADMO CC(C)(C)OC(=O)N(CC[N@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1)C(C)(C)C ZINC001462620657 1068114264 /nfs/dbraw/zinc/11/42/64/1068114264.db2.gz HXUQJDMTIYQFDC-QFIPXVFZSA-N 1 1 455.437 4.768 20 0 JJADMO Cc1cccc(C2=CC[N@H+](Cc3cnnn3[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1C ZINC001462657157 1068125906 /nfs/dbraw/zinc/12/59/06/1068125906.db2.gz HOBRBQIGNRMIMC-JOCHJYFZSA-N 1 1 451.615 4.756 20 0 JJADMO Cc1cccc(C2=CC[N@@H+](Cc3cnnn3[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1C ZINC001462657157 1068125912 /nfs/dbraw/zinc/12/59/12/1068125912.db2.gz HOBRBQIGNRMIMC-JOCHJYFZSA-N 1 1 451.615 4.756 20 0 JJADMO O=C(NCC[C@H]1CC[C@@H](C(F)(F)F)O1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001462691370 1068132853 /nfs/dbraw/zinc/13/28/53/1068132853.db2.gz UMKDXAUOTZCGNC-XCJLJZCSSA-N 1 1 452.542 4.580 20 0 JJADMO COc1cccc([C@@H](CNS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)[NH+]2CCCC2)c1 ZINC001462727078 1068144726 /nfs/dbraw/zinc/14/47/26/1068144726.db2.gz DJZSDUUNDJXJCJ-LJQANCHMSA-N 1 1 457.423 4.734 20 0 JJADMO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC001462750020 1068154423 /nfs/dbraw/zinc/15/44/23/1068154423.db2.gz RTQLOAHLEMOTKC-PMACEKPBSA-N 1 1 451.419 4.882 20 0 JJADMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@@H]12)c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC001462750020 1068154431 /nfs/dbraw/zinc/15/44/31/1068154431.db2.gz RTQLOAHLEMOTKC-PMACEKPBSA-N 1 1 451.419 4.882 20 0 JJADMO CCCO[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(F)cc1C ZINC001462771010 1068162332 /nfs/dbraw/zinc/16/23/32/1068162332.db2.gz WXOQXAVCYAMWAE-VSKRKVRLSA-N 1 1 452.492 4.781 20 0 JJADMO CCCO[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(F)cc1C ZINC001462771010 1068162336 /nfs/dbraw/zinc/16/23/36/1068162336.db2.gz WXOQXAVCYAMWAE-VSKRKVRLSA-N 1 1 452.492 4.781 20 0 JJADMO O=S(=O)(NCCC[N@H+]1CCc2ccccc2C1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC001462820281 1068176166 /nfs/dbraw/zinc/17/61/66/1068176166.db2.gz WZHPCGASLTUSJV-UHFFFAOYSA-N 1 1 456.995 4.859 20 0 JJADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC001462829035 1068180904 /nfs/dbraw/zinc/18/09/04/1068180904.db2.gz HFXXSCUSAHKLIS-HNNXBMFYSA-N 1 1 458.958 4.794 20 0 JJADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC001462835310 1068184523 /nfs/dbraw/zinc/18/45/23/1068184523.db2.gz WDAZHLHUZHWJRX-KRWDZBQOSA-N 1 1 456.530 4.579 20 0 JJADMO Cc1csc(C(C)(C)NS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(C)cc2)n1 ZINC001463075638 1068278561 /nfs/dbraw/zinc/27/85/61/1068278561.db2.gz OZUZQZXIWWUYOB-XZOQPEGZSA-N 1 1 469.676 4.583 20 0 JJADMO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC001463122127 1068295016 /nfs/dbraw/zinc/29/50/16/1068295016.db2.gz HKUXANCHCBDUOV-UHFFFAOYSA-N 1 1 452.498 4.717 20 0 JJADMO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC001463122127 1068295025 /nfs/dbraw/zinc/29/50/25/1068295025.db2.gz HKUXANCHCBDUOV-UHFFFAOYSA-N 1 1 452.498 4.717 20 0 JJADMO Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)NC[C@@H]3CCCC[N@@H+]3C)cc12 ZINC001463219850 1068324054 /nfs/dbraw/zinc/32/40/54/1068324054.db2.gz AQVGRJFZZHBJKS-INIZCTEOSA-N 1 1 451.423 4.975 20 0 JJADMO Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1Cl ZINC001463224353 1068326319 /nfs/dbraw/zinc/32/63/19/1068326319.db2.gz HKTUOASLZUFVMI-JOCHJYFZSA-N 1 1 453.435 4.979 20 0 JJADMO CCS[C@H]1CCC[C@@H]1NS(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(C)cc1 ZINC001463264516 1068338857 /nfs/dbraw/zinc/33/88/57/1068338857.db2.gz CQOYDBQMJHRYMO-OJJQZRKESA-N 1 1 458.693 4.557 20 0 JJADMO COc1cc(C)c(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1C(C)C ZINC001463286654 1068344572 /nfs/dbraw/zinc/34/45/72/1068344572.db2.gz ZPLPVLPPSQAXCX-ISKFKSNPSA-N 1 1 456.652 4.802 20 0 JJADMO COc1ccc(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(OCCOC(C)C)c1 ZINC001463347644 1068366376 /nfs/dbraw/zinc/36/63/76/1068366376.db2.gz ZXTUIETUYCWFGP-TZRRMPRUSA-N 1 1 466.622 4.530 20 0 JJADMO CCOC(=O)Cc1cccc(N(C)C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)c1 ZINC001463365015 1068372892 /nfs/dbraw/zinc/37/28/92/1068372892.db2.gz AMXZVQNLJKNKTO-WUFINQPMSA-N 1 1 470.613 4.979 20 0 JJADMO CC[N@@H+](CCC1CCN(S(=O)(=O)c2ccc(-c3csc(C)n3)s2)CC1)CC(C)C ZINC001463395055 1068383077 /nfs/dbraw/zinc/38/30/77/1068383077.db2.gz LUXHWOJWJHKCQX-UHFFFAOYSA-N 1 1 455.715 4.949 20 0 JJADMO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(Br)c(OC(F)(F)F)c2)CC1 ZINC001463593413 1068459531 /nfs/dbraw/zinc/45/95/31/1068459531.db2.gz SLKJKBBILUCJCY-UHFFFAOYSA-N 1 1 457.290 4.614 20 0 JJADMO Cc1cc(S(=O)(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc(C)c1OCc1ccccc1 ZINC001463612552 1068466173 /nfs/dbraw/zinc/46/61/73/1068466173.db2.gz KMNOZRQGOZQDNE-XMMPIXPASA-N 1 1 456.652 4.958 20 0 JJADMO Cc1cc(C(=O)NCCC[NH+]2CCOCC2)ccc1N[C@@H](C)c1cc(Cl)ccc1Cl ZINC001463626989 1068472917 /nfs/dbraw/zinc/47/29/17/1068472917.db2.gz RXCZSOKFUWGXFG-KRWDZBQOSA-N 1 1 450.410 4.927 20 0 JJADMO CC(C)(C)OC(=O)N1CCCCC[C@H]1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001463725688 1068505407 /nfs/dbraw/zinc/50/54/07/1068505407.db2.gz NNXPAUXHDCRQIM-DEOSSOPVSA-N 1 1 451.611 4.664 20 0 JJADMO Cc1ccccc1C(C)(C)NS(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001463764577 1068517103 /nfs/dbraw/zinc/51/71/03/1068517103.db2.gz QLDWCOGXOMFXKO-AZGAKELHSA-N 1 1 466.622 4.957 20 0 JJADMO CC(C)(C)n1cc(Br)c(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)n1 ZINC001463838601 1068543012 /nfs/dbraw/zinc/54/30/12/1068543012.db2.gz PXDAKFLBSLOAFY-KRWDZBQOSA-N 1 1 453.812 4.621 20 0 JJADMO COc1ccccc1C(=O)Nc1ccc(OC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1 ZINC001463842440 1068544912 /nfs/dbraw/zinc/54/49/12/1068544912.db2.gz MEDGFOZMLFMCHF-QFIPXVFZSA-N 1 1 458.558 4.808 20 0 JJADMO CCc1ccc(S(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1CC ZINC001463844366 1068545514 /nfs/dbraw/zinc/54/55/14/1068545514.db2.gz GEJBEHLBHYZBMH-RRPNLBNLSA-N 1 1 466.622 4.897 20 0 JJADMO Cc1cc(C)c(S(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)c(C)c1 ZINC001463846205 1068546538 /nfs/dbraw/zinc/54/65/38/1068546538.db2.gz MWHCHULSBLWXRP-LOSJGSFVSA-N 1 1 452.595 4.697 20 0 JJADMO O=S(=O)(CCc1cccc(Cl)c1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001463848857 1068547101 /nfs/dbraw/zinc/54/71/01/1068547101.db2.gz WCGJHIZIZXVXAK-LOSJGSFVSA-N 1 1 473.013 4.609 20 0 JJADMO CCOc1cc(NC(=O)[C@@H]2CCC[N@H+](C(C)C)C2)c(OCC)cc1NC(=O)c1ccccc1 ZINC001463954673 1068574292 /nfs/dbraw/zinc/57/42/92/1068574292.db2.gz DUBQRQXYHVEFPE-HXUWFJFHSA-N 1 1 453.583 4.795 20 0 JJADMO CC(C)(C)O[C@H]1C[C@H](NS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC001463975144 1068579807 /nfs/dbraw/zinc/57/98/07/1068579807.db2.gz JASYJRUMJGXYOP-NEWJYFPISA-N 1 1 477.070 4.574 20 0 JJADMO COc1ccc(CC(=O)N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)cc1O ZINC001464047435 1068599248 /nfs/dbraw/zinc/59/92/48/1068599248.db2.gz OBMZQKMSEJRIKF-UHFFFAOYSA-N 1 1 456.995 4.670 20 0 JJADMO CC(C)(Cc1ccc(O)cc1)C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC001464072085 1068604982 /nfs/dbraw/zinc/60/49/82/1068604982.db2.gz HGKTVVVJLQDZCG-UHFFFAOYSA-N 1 1 457.618 4.917 20 0 JJADMO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)C[C@H]4C[C@@H](C)CC(C)(C)C4)CC3)n2)cc1 ZINC001464077208 1068607037 /nfs/dbraw/zinc/60/70/37/1068607037.db2.gz WAJLQTIGJYKFQH-FGZHOGPDSA-N 1 1 452.643 4.974 20 0 JJADMO CC[C@@H](CNC(=O)CCCC(=O)c1ccc(Br)cc1)[N@H+]1CCc2ccccc2C1 ZINC001464096921 1068614037 /nfs/dbraw/zinc/61/40/37/1068614037.db2.gz FATYQNBJMKMSEI-QFIPXVFZSA-N 1 1 457.412 4.755 20 0 JJADMO CC[C@@H](CNC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)n1)[N@H+]1CCc2ccccc2C1 ZINC001464101826 1068616145 /nfs/dbraw/zinc/61/61/45/1068616145.db2.gz SDSFTTXHABODTE-NRFANRHFSA-N 1 1 456.512 4.766 20 0 JJADMO CC[C@@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCCC1)[N@H+]1CCc2ccccc2C1 ZINC001464103054 1068616201 /nfs/dbraw/zinc/61/62/01/1068616201.db2.gz XGKUSUIODUXEIM-BJKOFHAPSA-N 1 1 457.659 4.803 20 0 JJADMO O=C([C@@H](CO)c1ccc(Cl)cc1)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC001464103165 1068616821 /nfs/dbraw/zinc/61/68/21/1068616821.db2.gz MQRYZOHGJIEEIP-QFIPXVFZSA-N 1 1 458.986 4.628 20 0 JJADMO Cc1sc(Br)c(C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1C ZINC001464117963 1068621191 /nfs/dbraw/zinc/62/11/91/1068621191.db2.gz BLPFFIAAMVNHDW-OKILXGFUSA-N 1 1 451.430 4.667 20 0 JJADMO CCc1sc(C(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1Br ZINC001464122066 1068622398 /nfs/dbraw/zinc/62/23/98/1068622398.db2.gz OQFKTIOHVVSPHP-GASCZTMLSA-N 1 1 451.430 4.612 20 0 JJADMO CCN1CC[NH+](Cc2ccc(NC(=O)c3cc4c([nH]3)c(Br)ccc4C)cc2)CC1 ZINC001464125829 1068624253 /nfs/dbraw/zinc/62/42/53/1068624253.db2.gz NVRHBLUSUIDQBP-UHFFFAOYSA-N 1 1 455.400 4.629 20 0 JJADMO O=C(CSc1nccn1Cc1ccccc1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001464134822 1068629434 /nfs/dbraw/zinc/62/94/34/1068629434.db2.gz FLYDBSYRJVOCBP-QFIPXVFZSA-N 1 1 455.027 4.630 20 0 JJADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)C1 ZINC001464149199 1068633814 /nfs/dbraw/zinc/63/38/14/1068633814.db2.gz BZPKEZRTHKNIBI-HXUWFJFHSA-N 1 1 451.611 4.873 20 0 JJADMO Cc1cc(C)nc(Nc2ccc(O)c(C(=O)NCc3ccccc3C[N@@H+]3CCC[C@H](C)C3)c2)n1 ZINC001464154333 1068635742 /nfs/dbraw/zinc/63/57/42/1068635742.db2.gz CWVIHVQMPCRAIZ-SFHVURJKSA-N 1 1 459.594 4.705 20 0 JJADMO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001464191478 1068650261 /nfs/dbraw/zinc/65/02/61/1068650261.db2.gz BMHXXXGFAXQCLT-IAGOWNOFSA-N 1 1 452.451 4.801 20 0 JJADMO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001464191484 1068650320 /nfs/dbraw/zinc/65/03/20/1068650320.db2.gz BMHXXXGFAXQCLT-IRXDYDNUSA-N 1 1 452.451 4.801 20 0 JJADMO CSCc1nc2ccccc2n1CC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001464194365 1068651584 /nfs/dbraw/zinc/65/15/84/1068651584.db2.gz MXZBHLSUWOOKHF-BGYRXZFFSA-N 1 1 450.652 4.694 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](c1cccc(Br)c1)N1CCCC1 ZINC001464199265 1068653555 /nfs/dbraw/zinc/65/35/55/1068653555.db2.gz LUZYTJHKKZWFQJ-QHCPKHFHSA-N 1 1 458.444 4.743 20 0 JJADMO C[C@@H](CNC(=O)c1ccccc1NC(=O)c1cccc(Br)c1)[N@H+]1CCCC[C@@H]1C ZINC001464201018 1068654249 /nfs/dbraw/zinc/65/42/49/1068654249.db2.gz QVYUPXOLIZGDEF-IRXDYDNUSA-N 1 1 458.400 4.694 20 0 JJADMO Cc1ccc(S(=O)(=O)N[C@@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)cc1C(F)(F)F ZINC001464204937 1068656282 /nfs/dbraw/zinc/65/62/82/1068656282.db2.gz ICJZYPJWCORZPU-KRWDZBQOSA-N 1 1 454.436 4.614 20 0 JJADMO COc1ccc(C(C)(C)C)cc1S(=O)(=O)N[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC001464207730 1068658050 /nfs/dbraw/zinc/65/80/50/1068658050.db2.gz UWXRJVVIDAIMTP-SFHVURJKSA-N 1 1 458.546 4.593 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)CCN(CC3CC3)C(=O)OC(C)(C)C)cc2)C1 ZINC001464212064 1068659943 /nfs/dbraw/zinc/65/99/43/1068659943.db2.gz OTFSMBYSZKNAEZ-OYRHEFFESA-N 1 1 457.659 4.818 20 0 JJADMO COc1ccc(SCCC(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)cc1OC ZINC001464219264 1068662435 /nfs/dbraw/zinc/66/24/35/1068662435.db2.gz YBHDLGCIMYWTIO-BGYRXZFFSA-N 1 1 456.652 4.980 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC001464220521 1068663092 /nfs/dbraw/zinc/66/30/92/1068663092.db2.gz SOURAALCQOHJIG-IYBDPMFKSA-N 1 1 453.414 4.850 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NS(=O)(=O)/C=C/c2ccc(C)cc2)cc1 ZINC001464225510 1068665072 /nfs/dbraw/zinc/66/50/72/1068665072.db2.gz DSSNNQNCCJGFCI-WKKBHVDPSA-N 1 1 462.615 4.562 20 0 JJADMO Cc1nn(CC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001464230419 1068666447 /nfs/dbraw/zinc/66/64/47/1068666447.db2.gz FYJWYVHPLHAPDY-INIZCTEOSA-N 1 1 453.553 4.510 20 0 JJADMO C[C@@H]1C[C@H]2CC[C@H](C(=O)N(CC(=O)Nc3ccccc3F)Cc3ccc(Cl)cc3)C[N@H+]2C1 ZINC001464280820 1068689380 /nfs/dbraw/zinc/68/93/80/1068689380.db2.gz JPVNFQURWWBGAV-SLYNCCJLSA-N 1 1 457.977 4.567 20 0 JJADMO Cc1cccc(Oc2ccc(C(=O)NCCCCN3CC[NH+](Cc4ccccc4)CC3)nc2)c1 ZINC001464281135 1068689457 /nfs/dbraw/zinc/68/94/57/1068689457.db2.gz LRSNKOOUIPVSHT-UHFFFAOYSA-N 1 1 458.606 4.510 20 0 JJADMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccc(-c2cccc(Cl)c2)[nH]c1=O ZINC001464332860 1068709686 /nfs/dbraw/zinc/70/96/86/1068709686.db2.gz XMPZHHJMEPJLLH-UHFFFAOYSA-N 1 1 457.908 4.780 20 0 JJADMO CCC1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)CCOCC1 ZINC001546146276 1068712846 /nfs/dbraw/zinc/71/28/46/1068712846.db2.gz LMDYQKCAKRYTPQ-UHFFFAOYSA-N 1 1 489.655 4.911 20 0 JJADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)c3cc4ccc(Br)cc4s3)c2)CCO1 ZINC001464416746 1068738282 /nfs/dbraw/zinc/73/82/82/1068738282.db2.gz DSGDEBKMCCXOIJ-OAHLLOKOSA-N 1 1 459.409 4.815 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)c3cc4ccc(Br)cc4s3)c2)CCO1 ZINC001464416746 1068738291 /nfs/dbraw/zinc/73/82/91/1068738291.db2.gz DSGDEBKMCCXOIJ-OAHLLOKOSA-N 1 1 459.409 4.815 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001464444728 1068748208 /nfs/dbraw/zinc/74/82/08/1068748208.db2.gz VELHWFUATGRQPL-ZKMPZPQNSA-N 1 1 469.670 4.688 20 0 JJADMO CCc1c[nH]c(=O)c(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)c(Cl)c2)c1 ZINC001464448777 1068750242 /nfs/dbraw/zinc/75/02/42/1068750242.db2.gz FUXGFJUWCFVUKS-UHFFFAOYSA-N 1 1 450.970 4.578 20 0 JJADMO Cc1nc2sc(-c3ccccc3)cc2c(NCC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)n1 ZINC001464452144 1068751427 /nfs/dbraw/zinc/75/14/27/1068751427.db2.gz OHCVJEQSXVVBAO-KRWDZBQOSA-N 1 1 451.640 4.705 20 0 JJADMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 ZINC001464452634 1068751444 /nfs/dbraw/zinc/75/14/44/1068751444.db2.gz XTIDKYOVMPXORJ-QZTJIDSGSA-N 1 1 459.516 4.532 20 0 JJADMO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC001464466264 1068756576 /nfs/dbraw/zinc/75/65/76/1068756576.db2.gz SZVUGFJFPOOURV-ZHSJKAEUSA-N 1 1 454.014 4.502 20 0 JJADMO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C)[NH+](C)C ZINC001464537955 1068775669 /nfs/dbraw/zinc/77/56/69/1068775669.db2.gz HRFQLAJXDKWRNO-KBJGYGKASA-N 1 1 451.442 4.997 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)C1 ZINC001464540764 1068776801 /nfs/dbraw/zinc/77/68/01/1068776801.db2.gz GEOUYAZIMDHPJZ-LJQANCHMSA-N 1 1 455.002 4.505 20 0 JJADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC001464554997 1068780057 /nfs/dbraw/zinc/78/00/57/1068780057.db2.gz UZEPSDYPNCFLMU-IBGZPJMESA-N 1 1 457.496 4.818 20 0 JJADMO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1cn[nH]c1-c1cccc(OC(F)F)c1 ZINC001464564652 1068783485 /nfs/dbraw/zinc/78/34/85/1068783485.db2.gz HVMXOAYJNIGCEF-UHFFFAOYSA-N 1 1 458.534 4.522 20 0 JJADMO Cc1ccc(N2CCC(C(=O)Nc3cccc(C)c3C(=O)NCCc3ccccc3)CC2)[nH+]c1 ZINC001464578158 1068789447 /nfs/dbraw/zinc/78/94/47/1068789447.db2.gz LDHLVOBAZJIEIQ-UHFFFAOYSA-N 1 1 456.590 4.526 20 0 JJADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NCCCOc3ccc(Cl)cc3Cl)cc2)C[C@@H](C)O1 ZINC001464580024 1068790310 /nfs/dbraw/zinc/79/03/10/1068790310.db2.gz LKXXCKGYWCQGFD-IAGOWNOFSA-N 1 1 451.394 4.802 20 0 JJADMO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC001464644707 1068809318 /nfs/dbraw/zinc/80/93/18/1068809318.db2.gz VYBUWHKQCAGUHH-UHFFFAOYSA-N 1 1 455.400 4.823 20 0 JJADMO CCCN(C(=O)c1n[nH]c2ccc(Br)cc21)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001464674371 1068820289 /nfs/dbraw/zinc/82/02/89/1068820289.db2.gz KDRLMPFHDMXRDI-LJQANCHMSA-N 1 1 455.400 4.842 20 0 JJADMO CCCN(C(=O)c1[nH]nc2ccc(Br)cc21)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001464674371 1068820300 /nfs/dbraw/zinc/82/03/00/1068820300.db2.gz KDRLMPFHDMXRDI-LJQANCHMSA-N 1 1 455.400 4.842 20 0 JJADMO CCCN(C(=O)c1[nH]nc2ccc(Br)cc21)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001464674371 1068820305 /nfs/dbraw/zinc/82/03/05/1068820305.db2.gz KDRLMPFHDMXRDI-LJQANCHMSA-N 1 1 455.400 4.842 20 0 JJADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@@H]5c6ccccc6NC(=O)[C@@H]5C4)c23)C1 ZINC001164401072 718858386 /nfs/dbraw/zinc/85/83/86/718858386.db2.gz BTTBTHDFMJXMOD-NSISKUIASA-N 1 1 473.646 4.584 20 0 JJADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@H]5c6ccccc6NC(=O)[C@H]5C3)n2)CCC4)CC1 ZINC001164404056 718858535 /nfs/dbraw/zinc/85/85/35/718858535.db2.gz OGCZMDGKIVPSFU-PMACEKPBSA-N 1 1 473.646 4.584 20 0 JJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@H](c3ncn4c3cccc4Br)C2)nc1 ZINC001164420308 718891016 /nfs/dbraw/zinc/89/10/16/718891016.db2.gz TZAIITGWYOQOIL-QUCCMNQESA-N 1 1 470.415 4.617 20 0 JJADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCO[C@@H](c3ncn4c3cccc4Br)C2)nc1 ZINC001164420274 718891216 /nfs/dbraw/zinc/89/12/16/718891216.db2.gz TZAIITGWYOQOIL-AZUAARDMSA-N 1 1 470.415 4.617 20 0 JJADMO Cc1[nH+]cc2n1CCN(c1nc(CN3CCCCC3)nc3scc(-c4cccs4)c31)C2 ZINC001164440697 718991365 /nfs/dbraw/zinc/99/13/65/718991365.db2.gz QPRWVRADXLUULG-UHFFFAOYSA-N 1 1 450.637 4.931 20 0 JJADMO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164630149 719095294 /nfs/dbraw/zinc/09/52/94/719095294.db2.gz VPVMXYCMZBVLMK-PMACEKPBSA-N 1 1 455.940 4.838 20 0 JJADMO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164629865 719101569 /nfs/dbraw/zinc/10/15/69/719101569.db2.gz TZAOTUQRXUFJQE-AZUAARDMSA-N 1 1 455.940 4.838 20 0 JJADMO CC(C)c1nccc([C@@H]2C[C@H]3CCN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C[C@H]3O2)n1 ZINC001164638327 719261074 /nfs/dbraw/zinc/26/10/74/719261074.db2.gz OLBBQUMAHMNDNX-VYCLJVNGSA-N 1 1 469.633 4.910 20 0 JJADMO c1sc([C@@H]2C[C@H]3CN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C[C@@H]3O2)nc1C1CC1 ZINC001164645069 719288198 /nfs/dbraw/zinc/28/81/98/719288198.db2.gz BGJQFYFGKUXVLC-TUSQITKMSA-N 1 1 458.631 4.940 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCO[C@@H]4[C@H](OCc5ccncc5)CC[C@H]43)c2c1C ZINC001164649037 719294495 /nfs/dbraw/zinc/29/44/95/719294495.db2.gz GOVMTJSLFXEAOL-RQTOMXEWSA-N 1 1 493.677 4.642 20 0 JJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cc(C(=O)Nc3ccc(Cl)nc3)ccc1F)CC2 ZINC001164648289 719311497 /nfs/dbraw/zinc/31/14/97/719311497.db2.gz HPORWBOYTNXLBE-UHFFFAOYSA-N 1 1 470.980 4.528 20 0 JJADMO COc1ccc(-c2csc3ncnc(N4CCc5c(C[NH+](C)C)nn(C(C)C)c5C4)c23)cc1 ZINC001164653556 719314983 /nfs/dbraw/zinc/31/49/83/719314983.db2.gz VLVOBUFSPJVRFM-UHFFFAOYSA-N 1 1 462.623 4.769 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCc3c(CN(C)C)nn(C(C)C)c3C2)n1 ZINC001164651943 719315036 /nfs/dbraw/zinc/31/50/36/719315036.db2.gz KZPTYDXLPWLINN-UHFFFAOYSA-N 1 1 469.703 4.552 20 0 JJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)CC2 ZINC001164652940 719316544 /nfs/dbraw/zinc/31/65/44/719316544.db2.gz UZBHMLHPSOZYEM-UHFFFAOYSA-N 1 1 460.960 4.744 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCO[C@@H]4[C@H](OCC5CCCC5)CC[C@H]43)c2c1C ZINC001164662045 719343692 /nfs/dbraw/zinc/34/36/92/719343692.db2.gz MTGDCSZCXOBHMW-LGVFNWMJSA-N 1 1 470.683 4.847 20 0 JJADMO Fc1ccc(CN2CCOCC23CCN(c2[nH+]cnc4c2ccn4Cc2cccc(F)c2)CC3)cc1 ZINC001164672771 719510155 /nfs/dbraw/zinc/51/01/55/719510155.db2.gz NRDIQWPHRVPANU-UHFFFAOYSA-N 1 1 489.570 4.629 20 0 JJADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(-c3cccnc3)nc3sc(-c4ccccc4)cc31)CC2 ZINC001164689570 719742108 /nfs/dbraw/zinc/74/21/08/719742108.db2.gz IDEXNVMBVKXCNU-UHFFFAOYSA-N 1 1 498.656 4.601 20 0 JJADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)c(C3CCCCC3)c1)CC2 ZINC001164693378 719758762 /nfs/dbraw/zinc/75/87/62/719758762.db2.gz ZCLKEDBNQPXUKO-UHFFFAOYSA-N 1 1 454.993 4.508 20 0 JJADMO CCOC(=O)c1cnc(Cl)c(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c1Cl ZINC001164691875 719805740 /nfs/dbraw/zinc/80/57/40/719805740.db2.gz LKHNEPFVTWGRKM-UHFFFAOYSA-N 1 1 469.438 4.965 20 0 JJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)nc(Oc4cccc(F)c4)n2)CC3)cs1 ZINC001164691612 719810849 /nfs/dbraw/zinc/81/08/49/719810849.db2.gz IMXPRJOTWAOJBJ-UHFFFAOYSA-N 1 1 474.993 4.856 20 0 JJADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2nc4ccc(Cl)nc4[nH]2)CC3)cs1 ZINC001164691204 719814470 /nfs/dbraw/zinc/81/44/70/719814470.db2.gz AZUYNUYQQJLEQS-UHFFFAOYSA-N 1 1 452.962 4.556 20 0 JJADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2nc4ccc(Cl)nc4[nH]2)CC3)cs1 ZINC001164691204 719814471 /nfs/dbraw/zinc/81/44/71/719814471.db2.gz AZUYNUYQQJLEQS-UHFFFAOYSA-N 1 1 452.962 4.556 20 0 JJADMO COc1ccc(Oc2cc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)nc(C)n2)cc1 ZINC001164692132 719815667 /nfs/dbraw/zinc/81/56/67/719815667.db2.gz MEWTZQOFKDQCTJ-UHFFFAOYSA-N 1 1 465.623 4.986 20 0 JJADMO Clc1nc2c(c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)n1)CN(Cc1ccccc1)C2 ZINC001164695045 719889869 /nfs/dbraw/zinc/88/98/69/719889869.db2.gz JRYCYGRMWMETPD-UHFFFAOYSA-N 1 1 496.080 4.579 20 0 JJADMO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164696226 719897906 /nfs/dbraw/zinc/89/79/06/719897906.db2.gz COTRUZKAAWUMBT-UHFFFAOYSA-N 1 1 491.995 4.670 20 0 JJADMO Fc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cc1 ZINC001164707936 719898501 /nfs/dbraw/zinc/89/85/01/719898501.db2.gz ZUDJZJDWKSMQIY-UHFFFAOYSA-N 1 1 474.989 4.994 20 0 JJADMO F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164705465 719901443 /nfs/dbraw/zinc/90/14/43/719901443.db2.gz BZZYCNSFGBUNPI-HSZRJFAPSA-N 1 1 489.016 4.857 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccc3)cc(-c3ccccc3)n1)C2 ZINC001164807482 720093612 /nfs/dbraw/zinc/09/36/12/720093612.db2.gz FSFJQXVHXPFBPX-SVEHJYQDSA-N 1 1 454.618 4.995 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccc(OC)cc3)nc3ccc(F)cc31)C2 ZINC001164809758 720093836 /nfs/dbraw/zinc/09/38/36/720093836.db2.gz JYKNMLMYRRDXDZ-LYZGTLIUSA-N 1 1 476.596 4.629 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3ccc(Cl)cc31)CC2 ZINC001164712515 720094114 /nfs/dbraw/zinc/09/41/14/720094114.db2.gz WKXCLCBINWCMAK-LJQANCHMSA-N 1 1 472.420 4.839 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)Oc1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164808183 720112561 /nfs/dbraw/zinc/11/25/61/720112561.db2.gz DVWDMKSUOGJMHP-VFNWGFHPSA-N 1 1 487.378 4.546 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc3c(Cl)ccnc31)CC2 ZINC001164718026 720116212 /nfs/dbraw/zinc/11/62/12/720116212.db2.gz QNBLHNPKBHUCSA-GOSISDBHSA-N 1 1 472.420 4.839 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cccc(-c3cccc(Cl)n3)n1)CC2 ZINC001164714887 720119368 /nfs/dbraw/zinc/11/93/68/720119368.db2.gz DIHOLGOAYAFKRN-NRFANRHFSA-N 1 1 464.013 4.700 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164816141 720123375 /nfs/dbraw/zinc/12/33/75/720123375.db2.gz XSOALVWGGURBCS-HRAATJIYSA-N 1 1 471.379 4.666 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccccc3Cl)nn1)CC2 ZINC001164710778 720128105 /nfs/dbraw/zinc/12/81/05/720128105.db2.gz CHZJFINOAFHPBP-NRFANRHFSA-N 1 1 464.013 4.700 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3cc(Cl)c(Cl)cc31)CC2 ZINC001164711224 720130664 /nfs/dbraw/zinc/13/06/64/720130664.db2.gz GFHRWQNMGWHXLX-GOSISDBHSA-N 1 1 472.420 4.839 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3cccc(Cl)c3)nn1)CC2 ZINC001164711767 720143561 /nfs/dbraw/zinc/14/35/61/720143561.db2.gz JYRDLIBUOJYVHS-HSZRJFAPSA-N 1 1 464.013 4.700 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3cccc(Cl)c3)nn1)CC2 ZINC001164711769 720143577 /nfs/dbraw/zinc/14/35/77/720143577.db2.gz JYRDLIBUOJYVHS-QHCPKHFHSA-N 1 1 464.013 4.700 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncccc1OCc1ccc(F)cc1)CC2 ZINC001164712479 720147300 /nfs/dbraw/zinc/14/73/00/720147300.db2.gz MNFFVAJZPFVUGK-VWLOTQADSA-N 1 1 476.596 4.702 20 0 JJADMO CCc1ccc(-c2ccc(N3CCC4(C[C@@H](COC)[N@@H+](Cc5ccccn5)C4)CC3)nn2)cc1 ZINC001164711340 720149229 /nfs/dbraw/zinc/14/92/29/720149229.db2.gz HIYUIPNARWPJCR-VWLOTQADSA-N 1 1 457.622 4.609 20 0 JJADMO CCN(c1ccccc1)c1cc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)ncn1 ZINC001164713123 720149881 /nfs/dbraw/zinc/14/98/81/720149881.db2.gz RDBRXXKEPGVUPW-VWLOTQADSA-N 1 1 472.637 4.537 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nnc(Cl)c3ccc(Cl)cc31)CC2 ZINC001164711759 720150636 /nfs/dbraw/zinc/15/06/36/720150636.db2.gz JTWDUQNBVKLCSH-LJQANCHMSA-N 1 1 472.420 4.839 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(-c3ccccn3)nc3sccc31)CC2 ZINC001164710387 720151381 /nfs/dbraw/zinc/15/13/81/720151381.db2.gz ANMZOEDAWLHVQL-OAQYLSRUSA-N 1 1 486.645 4.656 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1c(Cl)ccc3c(Cl)ncnc31)CC2 ZINC001164711906 720156404 /nfs/dbraw/zinc/15/64/04/720156404.db2.gz DNAVWOZFKGWIPP-SFHVURJKSA-N 1 1 472.420 4.839 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)nc3c1CCC3)CC2 ZINC001164716061 720157315 /nfs/dbraw/zinc/15/73/15/720157315.db2.gz XJOJQSTVEJKOGI-IBGZPJMESA-N 1 1 476.999 4.671 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3scc(-c4ccc(F)cc4)c31)C2 ZINC001164814263 720163372 /nfs/dbraw/zinc/16/33/72/720163372.db2.gz FIEBEFHKHPIDII-UQBPGWFLSA-N 1 1 452.599 4.682 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3scc(-c4ccc(OC)cc4)c31)C2 ZINC001164812989 720164446 /nfs/dbraw/zinc/16/44/46/720164446.db2.gz BHMLOHPFCXRDAA-FNZWTVRRSA-N 1 1 464.635 4.552 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C)nc3scc(-c4cccs4)c31)C2 ZINC001164816902 720170708 /nfs/dbraw/zinc/17/07/08/720170708.db2.gz NPVLIRRFZFHHCF-MHECFPHRSA-N 1 1 454.665 4.913 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(CSC)nc3sc4c(c31)CCCC4)C2 ZINC001164818213 720170962 /nfs/dbraw/zinc/17/09/62/720170962.db2.gz SHIJFJXUMAFORW-AVRWGWEMSA-N 1 1 472.724 4.618 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)C2 ZINC001164818443 720172759 /nfs/dbraw/zinc/17/27/59/720172759.db2.gz SVAMBPPDRIOUQN-OFNKIYASSA-N 1 1 462.972 4.527 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)C2 ZINC001164818444 720172916 /nfs/dbraw/zinc/17/29/16/720172916.db2.gz SVAMBPPDRIOUQN-REWPJTCUSA-N 1 1 462.972 4.527 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(-c4ccccc4)cc3)nn1)C2 ZINC001164814304 720182285 /nfs/dbraw/zinc/18/22/85/720182285.db2.gz FPSZJQJCOWBPOU-GGXMVOPNSA-N 1 1 454.618 4.995 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)C2 ZINC001164815077 720182421 /nfs/dbraw/zinc/18/24/21/720182421.db2.gz HWZCTTOZNNHWPE-NFBKMPQASA-N 1 1 462.972 4.527 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)C2 ZINC001164815079 720182459 /nfs/dbraw/zinc/18/24/59/720182459.db2.gz HWZCTTOZNNHWPE-OFNKIYASSA-N 1 1 462.972 4.527 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C)c(Cc3ccc(Cl)cc3)c(C)n1)C2 ZINC001164818740 720193770 /nfs/dbraw/zinc/19/37/70/720193770.db2.gz ULFOBBGBLMNEJI-NVQXNPDNSA-N 1 1 455.046 4.522 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1cccc(Cl)c1)C2 ZINC001164810758 720198184 /nfs/dbraw/zinc/19/81/84/720198184.db2.gz CNAOYXDFWDTQKN-UZUQRXQVSA-N 1 1 463.409 4.760 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1cccc(Cl)c1)C2 ZINC001164810755 720198231 /nfs/dbraw/zinc/19/82/31/720198231.db2.gz CNAOYXDFWDTQKN-SBUREZEXSA-N 1 1 463.409 4.760 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3cccc(OC)c3)nnc1Cl)C2 ZINC001164815437 720203093 /nfs/dbraw/zinc/20/30/93/720203093.db2.gz ZGBUOYOLLFAZMG-DVECYGJZSA-N 1 1 492.998 4.535 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3cccc(C)c3)nnc1Cl)C2 ZINC001164814675 720203597 /nfs/dbraw/zinc/20/35/97/720203597.db2.gz WANOYKZHJLBOIF-YKSBVNFPSA-N 1 1 476.999 4.835 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)C2 ZINC001164815259 720203927 /nfs/dbraw/zinc/20/39/27/720203927.db2.gz YAMYNMIOGDVKJS-GAJHUEQPSA-N 1 1 480.962 4.666 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)C2 ZINC001164815182 720204046 /nfs/dbraw/zinc/20/40/46/720204046.db2.gz WUWBSXSAJIBRHQ-JPYJTQIMSA-N 1 1 480.962 4.666 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)C2 ZINC001164814576 720205022 /nfs/dbraw/zinc/20/50/22/720205022.db2.gz UNYJOTWJEPDLMD-FDDCHVKYSA-N 1 1 454.005 4.734 20 0 JJADMO Cc1ccc(-c2nnc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c3ccccc32)cc1C ZINC001164812126 720235929 /nfs/dbraw/zinc/23/59/29/720235929.db2.gz BQKPSDWRYRDNOS-UHFFFAOYSA-N 1 1 482.632 4.721 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@H]2CCC(=O)N3Cc2csc(C)n2)n1 ZINC001164817950 720258439 /nfs/dbraw/zinc/25/84/39/720258439.db2.gz VFSSYZZWGGQAPN-UXHICEINSA-N 1 1 498.722 4.685 20 0 JJADMO C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC[C@]5(CCN(CC6CC6)C5=O)C4)c23)C1 ZINC001164820289 720281614 /nfs/dbraw/zinc/28/16/14/720281614.db2.gz VKPGPFOFJZZYBF-VKGTZQKMSA-N 1 1 493.721 4.641 20 0 JJADMO C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC[C@@]5(CCN(CC6CC6)C5=O)C4)c23)C1 ZINC001164820287 720282017 /nfs/dbraw/zinc/28/20/17/720282017.db2.gz VKPGPFOFJZZYBF-HMILPKGGSA-N 1 1 493.721 4.641 20 0 JJADMO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721350 720353494 /nfs/dbraw/zinc/35/34/94/720353494.db2.gz BTQIMFQHDCQPDX-QZTJIDSGSA-N 1 1 450.320 4.730 20 0 JJADMO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164721350 720353497 /nfs/dbraw/zinc/35/34/97/720353497.db2.gz BTQIMFQHDCQPDX-QZTJIDSGSA-N 1 1 450.320 4.730 20 0 JJADMO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164735094 720463993 /nfs/dbraw/zinc/46/39/93/720463993.db2.gz VYEUMVXRBBRGKS-GOTSBHOMSA-N 1 1 470.646 4.668 20 0 JJADMO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164735095 720465155 /nfs/dbraw/zinc/46/51/55/720465155.db2.gz VYEUMVXRBBRGKS-PKTZIBPZSA-N 1 1 470.646 4.668 20 0 JJADMO Fc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164723554 720484647 /nfs/dbraw/zinc/48/46/47/720484647.db2.gz CLTWQAZFYUYSBT-LEWJYISDSA-N 1 1 459.903 4.729 20 0 JJADMO Fc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164723554 720484648 /nfs/dbraw/zinc/48/46/48/720484648.db2.gz CLTWQAZFYUYSBT-LEWJYISDSA-N 1 1 459.903 4.729 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@]3(C[C@@H](CNc4cccc(F)c4)CO3)C2)nc1 ZINC001164725775 720495831 /nfs/dbraw/zinc/49/58/31/720495831.db2.gz KDZVELVOFGFTBO-MDBQKXLBSA-N 1 1 482.644 4.882 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)CC[C@@H]21 ZINC001164834199 720567191 /nfs/dbraw/zinc/56/71/91/720567191.db2.gz CQZZBNDRRSWOJO-HKBOAZHASA-N 1 1 486.998 4.916 20 0 JJADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164844217 720600452 /nfs/dbraw/zinc/60/04/52/720600452.db2.gz ZZLQGJYNGZIILE-WOIUINJBSA-N 1 1 482.028 4.639 20 0 JJADMO COc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@@H](C[C@H](Cn6cccn6)[N@H+]5C(C)C)C4)c23)cc1 ZINC001164843514 720601280 /nfs/dbraw/zinc/60/12/80/720601280.db2.gz XOKKSTZAZCMTQT-YZUZCNPQSA-N 1 1 488.661 4.941 20 0 JJADMO Cc1sc2nc(-c3cccnc3)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1C ZINC001164836138 720604039 /nfs/dbraw/zinc/60/40/39/720604039.db2.gz DVPPBORPQPWQJQ-DNVJHFABSA-N 1 1 487.677 4.944 20 0 JJADMO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164843251 720604051 /nfs/dbraw/zinc/60/40/51/720604051.db2.gz XAYGBVJBVLGZBO-RJGXRXQPSA-N 1 1 495.741 4.724 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(C(=O)Nc4cccc(Cl)c4)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839259 720604269 /nfs/dbraw/zinc/60/42/69/720604269.db2.gz MYRAXUQKLLAXNR-NKKJXINNSA-N 1 1 479.028 4.562 20 0 JJADMO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164840255 720604595 /nfs/dbraw/zinc/60/45/95/720604595.db2.gz POQBGAIMDIIBHP-JIMJEQGWSA-N 1 1 483.664 4.671 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164844190 720608736 /nfs/dbraw/zinc/60/87/36/720608736.db2.gz ZTBOZWMEOZJPOM-SXWKCWPCSA-N 1 1 486.998 4.916 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839321 720610097 /nfs/dbraw/zinc/61/00/97/720610097.db2.gz NGHZYHZDLHQDOL-FUHIMQAGSA-N 1 1 493.027 4.978 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(-c4ccc(N5CCCCC5)cc4)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836789 720630720 /nfs/dbraw/zinc/63/07/20/720630720.db2.gz GXKVXQZOTXZAPM-MAARLIENSA-N 1 1 485.680 4.708 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(C(=O)Nc3ccccc3)ccn1)CC2 ZINC001164839770 720691663 /nfs/dbraw/zinc/69/16/63/720691663.db2.gz BRHSAFDCUKSCDF-RUZDIDTESA-N 1 1 456.590 4.594 20 0 JJADMO Clc1nc(-c2ccccc2)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1-c1ccccc1 ZINC001164742584 720692962 /nfs/dbraw/zinc/69/29/62/720692962.db2.gz VUJGFMLUNJLSOZ-VXKWHMMOSA-N 1 1 484.991 4.596 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)ccc1CN1CCCC1)CC2 ZINC001164841296 720696034 /nfs/dbraw/zinc/69/60/34/720696034.db2.gz IXWVRSJLEOMGIX-QHCPKHFHSA-N 1 1 455.046 4.591 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)CC2 ZINC001164837696 720706382 /nfs/dbraw/zinc/70/63/82/720706382.db2.gz GUPPQZBQZJTHFU-QGZVFWFLSA-N 1 1 471.379 4.674 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)CC2 ZINC001164837695 720706721 /nfs/dbraw/zinc/70/67/21/720706721.db2.gz GUPPQZBQZJTHFU-KRWDZBQOSA-N 1 1 471.379 4.674 20 0 JJADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2c1 ZINC001164840942 720709108 /nfs/dbraw/zinc/70/91/08/720709108.db2.gz STKXQYRJJBACRM-NRFANRHFSA-N 1 1 495.023 4.720 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(-c3ccc4c(c3)OCCCO4)nn1)CC2 ZINC001164836976 720718616 /nfs/dbraw/zinc/71/86/16/720718616.db2.gz CFWYIFYUJDFFBJ-DEOSSOPVSA-N 1 1 486.616 4.565 20 0 JJADMO COc1ccc(Oc2cc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nc(C)n2)cc1 ZINC001164839001 720724741 /nfs/dbraw/zinc/72/47/41/720724741.db2.gz KBTPTDPFYGMYOE-QHCPKHFHSA-N 1 1 474.605 4.846 20 0 JJADMO CC[C@H]1N(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)CCC[C@@]12CCC(=O)N2 ZINC001164846853 720755085 /nfs/dbraw/zinc/75/50/85/720755085.db2.gz KHBJKRMVUPVDSE-FQRUVTKNSA-N 1 1 467.683 4.584 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@@H]32)n1 ZINC001164848946 720777214 /nfs/dbraw/zinc/77/72/14/720777214.db2.gz RIGCCCSSLFTIDT-VABKMULXSA-N 1 1 495.693 4.888 20 0 JJADMO Clc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745139 720822124 /nfs/dbraw/zinc/82/21/24/720822124.db2.gz WPWFTVWSKLVHGO-HGHGUNKESA-N 1 1 457.409 4.513 20 0 JJADMO Cc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@H](C[C@@H](Cn6cncn6)[N@H+]5CC5CC5)C4)c23)cc1 ZINC001164742869 720823920 /nfs/dbraw/zinc/82/39/20/720823920.db2.gz RBZJTFCWGZCXQZ-AOHZBQACSA-N 1 1 485.661 4.638 20 0 JJADMO c1ncn(C[C@H]2C[C@H]3CN(c4cc(-c5ccccc5)c5ccccc5n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164746555 720845485 /nfs/dbraw/zinc/84/54/85/720845485.db2.gz OLKGYZHPMKCIAN-VYKTZEHYSA-N 1 1 464.617 4.873 20 0 JJADMO c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(-c5ccc(-c6ccccc6)cc5)nn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164752614 720852038 /nfs/dbraw/zinc/85/20/38/720852038.db2.gz SZEDINHPHQHKGD-IUAQSZDVSA-N 1 1 491.643 4.782 20 0 JJADMO COc1ccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c(C)cc2c1 ZINC001164754910 720869717 /nfs/dbraw/zinc/86/97/17/720869717.db2.gz UMUYZZUZKYUCQF-IRPSRAIASA-N 1 1 472.633 4.702 20 0 JJADMO Fc1ccc2nc(Cl)nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164755434 720874957 /nfs/dbraw/zinc/87/49/57/720874957.db2.gz WWUBVFLEBGJWCA-FQRUVTKNSA-N 1 1 482.003 4.572 20 0 JJADMO Clc1ccc(-c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)cc1 ZINC001164749006 720875893 /nfs/dbraw/zinc/87/58/93/720875893.db2.gz GCICKAOIXVYLNW-UFHPHHKVSA-N 1 1 490.051 4.947 20 0 JJADMO Fc1cc2nc(Cl)c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2cc1F ZINC001164757827 720884835 /nfs/dbraw/zinc/88/48/35/720884835.db2.gz VTSRABNHPMKMGM-SIBVEZHUSA-N 1 1 499.993 4.712 20 0 JJADMO COc1ccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)cc(C)c2c1 ZINC001164757177 720890418 /nfs/dbraw/zinc/89/04/18/720890418.db2.gz UCLRIZVQUXRIMI-OUTSHDOLSA-N 1 1 472.633 4.702 20 0 JJADMO COc1ccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cc(C)c2c1 ZINC001164757175 720890443 /nfs/dbraw/zinc/89/04/43/720890443.db2.gz UCLRIZVQUXRIMI-FUFSCUOVSA-N 1 1 472.633 4.702 20 0 JJADMO Cc1nc2cc(Cl)ccc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753297 720890933 /nfs/dbraw/zinc/89/09/33/720890933.db2.gz GKAZGIYECRRPJG-CUNXSJBXSA-N 1 1 478.040 4.742 20 0 JJADMO Cc1ccc(C(F)(F)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1Cl ZINC001164755028 720892607 /nfs/dbraw/zinc/89/26/07/720892607.db2.gz KJOGDUGLVIAXCI-XUZZJYLKSA-N 1 1 476.999 4.738 20 0 JJADMO Fc1cc2ncnc(Cl)c2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164757134 720904376 /nfs/dbraw/zinc/90/43/76/720904376.db2.gz SUTSWZFAQRKNCX-RXFWQSSRSA-N 1 1 482.003 4.572 20 0 JJADMO CC(C)n1ccc2c1nc(Cl)nc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751545 720905700 /nfs/dbraw/zinc/90/57/00/720905700.db2.gz MRQONGGIIRIPFI-WXVAWEFUSA-N 1 1 495.071 4.816 20 0 JJADMO Cc1c[nH]c2nc(Cl)cc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164754665 720907672 /nfs/dbraw/zinc/90/76/72/720907672.db2.gz WWCJPVUVIFFCKJ-QFQXNSOFSA-N 1 1 466.029 4.675 20 0 JJADMO Cc1cccc(-c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)c1 ZINC001164750833 720912185 /nfs/dbraw/zinc/91/21/85/720912185.db2.gz KRGKFKSEEIFLBS-WNJJXGMVSA-N 1 1 469.633 4.602 20 0 JJADMO CC(C)c1ccc2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164748542 720912995 /nfs/dbraw/zinc/91/29/95/720912995.db2.gz GURXFGIMUSRABH-IRPSRAIASA-N 1 1 471.649 4.903 20 0 JJADMO Clc1cccc(-c2cc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncn2)c1 ZINC001164746489 720916019 /nfs/dbraw/zinc/91/60/19/720916019.db2.gz AYSUBMWCHBNGFT-CUBQBAPOSA-N 1 1 490.051 4.947 20 0 JJADMO c1ccc2c(c1)cc(N1CCCC1)nc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164748525 720917227 /nfs/dbraw/zinc/91/72/27/720917227.db2.gz GRJPDGUQLOEWSS-JOMNFKBKSA-N 1 1 497.687 4.985 20 0 JJADMO c1ccc2c(c1)cc(N1CCCC1)nc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164748525 720917231 /nfs/dbraw/zinc/91/72/31/720917231.db2.gz GRJPDGUQLOEWSS-JOMNFKBKSA-N 1 1 497.687 4.985 20 0 JJADMO FC(F)c1nc2ccccc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755182 720918246 /nfs/dbraw/zinc/91/82/46/720918246.db2.gz ZJGVTNCFWDPXGC-JIPXPUAJSA-N 1 1 479.575 4.718 20 0 JJADMO FC(F)c1nc2ccccc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755183 720919014 /nfs/dbraw/zinc/91/90/14/720919014.db2.gz ZJGVTNCFWDPXGC-KDYSTLNUSA-N 1 1 479.575 4.718 20 0 JJADMO Cc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(-c2ccsc2)n1 ZINC001164750159 720921111 /nfs/dbraw/zinc/92/11/11/720921111.db2.gz JMWZPVBJDLIBAN-SQHAQQRYSA-N 1 1 475.662 4.664 20 0 JJADMO CCN(c1ccccc1)c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164749100 720925790 /nfs/dbraw/zinc/92/57/90/720925790.db2.gz HSGAXAWGICVWQU-YZNIXAGQSA-N 1 1 498.675 4.785 20 0 JJADMO Fc1ccc2nc(C(F)F)nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164752970 720928636 /nfs/dbraw/zinc/92/86/36/720928636.db2.gz PRDSACQKEBIZMO-DCFHFQCYSA-N 1 1 497.565 4.857 20 0 JJADMO COc1cc2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2cc1F ZINC001164749087 720934034 /nfs/dbraw/zinc/93/40/34/720934034.db2.gz HROGDUJBBKXPJQ-LXFBAYGMSA-N 1 1 476.596 4.533 20 0 JJADMO Cc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1-c1ccccc1F ZINC001164746531 720934112 /nfs/dbraw/zinc/93/41/12/720934112.db2.gz BKKKLGNNJMIMLN-FUFSCUOVSA-N 1 1 487.623 4.741 20 0 JJADMO Cc1c(Cl)nc(C2CCC2)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747415 720935203 /nfs/dbraw/zinc/93/52/03/720935203.db2.gz CZEAOYVPIPANSK-YIXXDRMTSA-N 1 1 482.072 4.856 20 0 JJADMO Clc1nc(Cl)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(C2CC2)n1 ZINC001164747809 720935704 /nfs/dbraw/zinc/93/57/04/720935704.db2.gz DJYMSTFMVZSMLJ-NBGIEHNGSA-N 1 1 488.463 4.811 20 0 JJADMO Clc1nc(Cl)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(C2CC2)n1 ZINC001164747806 720936866 /nfs/dbraw/zinc/93/68/66/720936866.db2.gz DJYMSTFMVZSMLJ-CPJSRVTESA-N 1 1 488.463 4.811 20 0 JJADMO CC(C)(c1ccnc(Cl)c1)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754655 720937804 /nfs/dbraw/zinc/93/78/04/720937804.db2.gz WUDLPVWAPZLKEX-BVAGGSTKSA-N 1 1 455.046 4.616 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccccc3)nc(-c3ccccc3)n1)[C@H]2C ZINC001164860002 720955777 /nfs/dbraw/zinc/95/57/77/720955777.db2.gz OZHQRBTWTCCWNY-FQEVSTJZSA-N 1 1 453.594 4.824 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(CN3CCCC3)nc3sc4c(c31)CCCC4)[C@@H]2C ZINC001164859687 721002982 /nfs/dbraw/zinc/00/29/82/721002982.db2.gz LJIMCQMRXYZQLI-LJQANCHMSA-N 1 1 493.725 4.784 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(C(=O)Nc3cccc(Cl)c3)cn1)[C@H]2C ZINC001164860693 721003130 /nfs/dbraw/zinc/00/31/30/721003130.db2.gz PNFZHZKWCXATBD-KRWDZBQOSA-N 1 1 452.990 4.605 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc(Cl)nc1C(F)(F)F)[C@@H]2C ZINC001164857363 721015234 /nfs/dbraw/zinc/01/52/34/721015234.db2.gz DKSVPINXNCAEJI-GFCCVEGCSA-N 1 1 451.871 4.917 20 0 JJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3c(nnn3CC)[C@@H]2COCc2ccccc2)nc1 ZINC001164771571 721049475 /nfs/dbraw/zinc/04/94/75/721049475.db2.gz MVQSJFKHRRZHCM-AHWVRZQESA-N 1 1 474.653 4.951 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5nc(Cl)cc(Cl)c5c4)C[C@@H]3C2)cn1 ZINC001164770596 721116020 /nfs/dbraw/zinc/11/60/20/721116020.db2.gz RELBOINYQSDZQA-CVEARBPZSA-N 1 1 466.363 4.778 20 0 JJADMO Clc1ccc(-c2csc3ncnc(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@H]5C4)c23)cc1 ZINC001164872110 721139954 /nfs/dbraw/zinc/13/99/54/721139954.db2.gz GQODPWVYGUAITD-SFTDATJTSA-N 1 1 478.021 4.886 20 0 JJADMO Cc1sc2nc(-c3cccs3)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1C ZINC001164874468 721144271 /nfs/dbraw/zinc/14/42/71/721144271.db2.gz KBYKZAPHSNBSKZ-PMACEKPBSA-N 1 1 477.659 4.911 20 0 JJADMO c1csc(-c2nc3sc4c(c3c(N3CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@@H]5C3)n2)CCC4)c1 ZINC001164872660 721144987 /nfs/dbraw/zinc/14/49/87/721144987.db2.gz IBYMHIVHNSPSIN-MOPGFXCFSA-N 1 1 489.670 4.783 20 0 JJADMO Cc1sc2ncnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1-c1ccccc1 ZINC001164876500 721145533 /nfs/dbraw/zinc/14/55/33/721145533.db2.gz MTPFKEVCVDNIOP-YADHBBJMSA-N 1 1 457.603 4.541 20 0 JJADMO Cc1nc2scc(-c3cccs3)c2c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164874538 721145774 /nfs/dbraw/zinc/14/57/74/721145774.db2.gz KNLWMCRZMSGKCL-RBUKOAKNSA-N 1 1 463.632 4.603 20 0 JJADMO Clc1cccc(-c2nc3c(c(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@H]5C4)n2)CCCC3)c1 ZINC001164870322 721168268 /nfs/dbraw/zinc/16/82/68/721168268.db2.gz CNFHURPKLZXYDP-XZOQPEGZSA-N 1 1 476.024 4.551 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccc(OCc5ccc(Cl)nc5)cc4)C[C@@H]3C2)cn1 ZINC001164771861 721217466 /nfs/dbraw/zinc/21/74/66/721217466.db2.gz RKDWAOKLOZSXCY-SFTDATJTSA-N 1 1 487.982 4.551 20 0 JJADMO Cc1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164769481 721222857 /nfs/dbraw/zinc/22/28/57/721222857.db2.gz MNOZWMXFDNPGPP-RRPNLBNLSA-N 1 1 464.617 4.811 20 0 JJADMO Cc1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164769482 721223245 /nfs/dbraw/zinc/22/32/45/721223245.db2.gz MNOZWMXFDNPGPP-SVBPBHIXSA-N 1 1 464.617 4.811 20 0 JJADMO O=C(N1CCCC1)C12CC(C1)CN2c1nc(C[NH+]2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001164870812 721238018 /nfs/dbraw/zinc/23/80/18/721238018.db2.gz CDULJBLVASXCJW-UHFFFAOYSA-N 1 1 487.673 4.935 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3O[C@@H](COc4cccnc4)CC[C@H]32)n1 ZINC001164880147 721251080 /nfs/dbraw/zinc/25/10/80/721251080.db2.gz ZXVZQETXVUEKQU-VSKRKVRLSA-N 1 1 481.666 4.750 20 0 JJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)nc1 ZINC001164879783 721260017 /nfs/dbraw/zinc/26/00/17/721260017.db2.gz YXPVPXKZOPTIBC-OARDWFSCSA-N 1 1 462.638 4.577 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)n1 ZINC001164776070 721326774 /nfs/dbraw/zinc/32/67/74/721326774.db2.gz CKTIZAAPWPEEEK-LJQANCHMSA-N 1 1 499.656 4.891 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(Cl)c3)C2)C1 ZINC001164778452 721333980 /nfs/dbraw/zinc/33/39/80/721333980.db2.gz XCKLVPQNGIGTEV-FQEVSTJZSA-N 1 1 475.367 4.657 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(Cl)c3)C2)C1 ZINC001164778452 721333987 /nfs/dbraw/zinc/33/39/87/721333987.db2.gz XCKLVPQNGIGTEV-FQEVSTJZSA-N 1 1 475.367 4.657 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccnc(Cl)c3Cl)C2)C1 ZINC001164777745 721336977 /nfs/dbraw/zinc/33/69/77/721336977.db2.gz QGAIBXZZTJIUNQ-HXUWFJFHSA-N 1 1 475.367 4.657 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccnc(Cl)c3Cl)C2)C1 ZINC001164777745 721336979 /nfs/dbraw/zinc/33/69/79/721336979.db2.gz QGAIBXZZTJIUNQ-HXUWFJFHSA-N 1 1 475.367 4.657 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4c(Cl)ncnc4c3)C2)C1 ZINC001164778557 721339331 /nfs/dbraw/zinc/33/93/31/721339331.db2.gz NDVGJTRJUAZZLK-HSZRJFAPSA-N 1 1 491.970 4.552 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4c(Cl)ncnc4c3)C2)C1 ZINC001164778557 721339334 /nfs/dbraw/zinc/33/93/34/721339334.db2.gz NDVGJTRJUAZZLK-HSZRJFAPSA-N 1 1 491.970 4.552 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc4c(Cl)ccnc43)C2)C1 ZINC001164778324 721348618 /nfs/dbraw/zinc/34/86/18/721348618.db2.gz MSVFHTMJPKFTPI-HSZRJFAPSA-N 1 1 476.408 4.660 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4cc(Cl)ccc43)C2)C1 ZINC001164777421 721349701 /nfs/dbraw/zinc/34/97/01/721349701.db2.gz GXNFNFFZKJKJKC-QHCPKHFHSA-N 1 1 476.408 4.660 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cccc(-c4cccc(Cl)n4)n3)C2)C1 ZINC001164776229 721350796 /nfs/dbraw/zinc/35/07/96/721350796.db2.gz AMEVLDODPGXLJC-RUZDIDTESA-N 1 1 468.001 4.521 20 0 JJADMO COc1cnc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c2cc(Cl)ccc12 ZINC001164777721 721350925 /nfs/dbraw/zinc/35/09/25/721350925.db2.gz HPMYQZREAMYQTQ-RUZDIDTESA-N 1 1 471.001 4.621 20 0 JJADMO O=C1C[C@H]2[C@H](CCN2c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)N1c1ccsc1 ZINC001164882424 721357608 /nfs/dbraw/zinc/35/76/08/721357608.db2.gz JEESLMGTYZBFMX-OALUTQOASA-N 1 1 479.675 4.612 20 0 JJADMO O=C1C[C@@H]2[C@H](CCN2c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)N1c1ccsc1 ZINC001164882425 721357765 /nfs/dbraw/zinc/35/77/65/721357765.db2.gz JEESLMGTYZBFMX-RBUKOAKNSA-N 1 1 479.675 4.612 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nnc(Cc4ccccc4)c4ccccc43)C2)C1 ZINC001164780290 721365589 /nfs/dbraw/zinc/36/55/89/721365589.db2.gz FPBSRTWIMNSRPE-SSEXGKCCSA-N 1 1 497.643 4.944 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc(-c4ccc(F)cc4)n3)C2)C1 ZINC001164787063 721368691 /nfs/dbraw/zinc/36/86/91/721368691.db2.gz XZQPSLSZZQFXFI-RUZDIDTESA-N 1 1 485.991 4.660 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc(-c4ccc(F)cc4)n3)C2)C1 ZINC001164787063 721368695 /nfs/dbraw/zinc/36/86/95/721368695.db2.gz XZQPSLSZZQFXFI-RUZDIDTESA-N 1 1 485.991 4.660 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C(C)C)nc(C(C)(C)C)n3)C2)C1 ZINC001164786185 721369740 /nfs/dbraw/zinc/36/97/40/721369740.db2.gz WRXAVIIOIONADU-SANMLTNESA-N 1 1 455.647 4.621 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc4c(Cl)cccc4nc3Cl)C2)C1 ZINC001164787943 721373734 /nfs/dbraw/zinc/37/37/34/721373734.db2.gz YNAUJGIXVKVPRV-HSZRJFAPSA-N 1 1 476.408 4.660 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc4c(Cl)cccc4nc3Cl)C2)C1 ZINC001164787943 721373737 /nfs/dbraw/zinc/37/37/37/721373737.db2.gz YNAUJGIXVKVPRV-HSZRJFAPSA-N 1 1 476.408 4.660 20 0 JJADMO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)nc1 ZINC001164785324 721374020 /nfs/dbraw/zinc/37/40/20/721374020.db2.gz RBZKOJGFYSIZKZ-XTEPFMGCSA-N 1 1 481.685 4.742 20 0 JJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)nc1 ZINC001164785324 721374026 /nfs/dbraw/zinc/37/40/26/721374026.db2.gz RBZKOJGFYSIZKZ-XTEPFMGCSA-N 1 1 481.685 4.742 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3c(Cl)ccc4c(Cl)ncnc43)C2)C1 ZINC001164779830 721376090 /nfs/dbraw/zinc/37/60/90/721376090.db2.gz CNFGKMLEYHRCRB-QHCPKHFHSA-N 1 1 476.408 4.660 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(-c5ccnc(Cl)c5)cc4)C3)O2)CC1 ZINC001164890498 721396558 /nfs/dbraw/zinc/39/65/58/721396558.db2.gz NQTPZXGHEBGFCX-NOZRDPDXSA-N 1 1 491.026 4.712 20 0 JJADMO Cc1nc2c(cc(-c3nc(N4C[C@@H]5C[N@@H+](Cc6nccs6)C[C@@H]5C4)ncc3F)cc2F)n1C(C)C ZINC001164790969 721410748 /nfs/dbraw/zinc/41/07/48/721410748.db2.gz YRJPKMSFZBOLHE-HDICACEKSA-N 1 1 495.603 4.686 20 0 JJADMO Cc1nc2c(cc(-c3nc(N4C[C@@H]5C[N@H+](Cc6nccs6)C[C@@H]5C4)ncc3F)cc2F)n1C(C)C ZINC001164790969 721410751 /nfs/dbraw/zinc/41/07/51/721410751.db2.gz YRJPKMSFZBOLHE-HDICACEKSA-N 1 1 495.603 4.686 20 0 JJADMO Cc1ccc2nc(-c3ccccc3F)nc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2c1 ZINC001164890536 721419768 /nfs/dbraw/zinc/41/97/68/721419768.db2.gz SZCZRXQPTNONJE-PZGXJGMVSA-N 1 1 489.639 4.510 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc5cc(OCc6ccccc6)ccc5n4)C3)O2)CC1 ZINC001164887118 721419813 /nfs/dbraw/zinc/41/98/13/721419813.db2.gz LBJSKUGIMRQRFX-OFSOJUDTSA-N 1 1 486.660 4.579 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc5cc(OCc6ccccc6)ccc5n4)C3)O2)CC1 ZINC001164887121 721419937 /nfs/dbraw/zinc/41/99/37/721419937.db2.gz LBJSKUGIMRQRFX-POURPWNDSA-N 1 1 486.660 4.579 20 0 JJADMO Clc1ccc(-c2ccc(C3OCCCO3)c(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c2)cn1 ZINC001164783895 721421128 /nfs/dbraw/zinc/42/11/28/721421128.db2.gz JHIWSXZULPAMDQ-WOJBJXKFSA-N 1 1 483.037 4.862 20 0 JJADMO Clc1cccc(-c2nc3c(c(N4C[C@H]5C[NH+](Cc6nccs6)C[C@@H]5C4)n2)CCCC3)c1 ZINC001164789546 721431931 /nfs/dbraw/zinc/43/19/31/721431931.db2.gz VSZYQVLFDNIYOK-QZTJIDSGSA-N 1 1 452.027 4.701 20 0 JJADMO Clc1cccc(-c2nc3c(c(N4C[C@@H]5C[N@@H+](Cc6nccs6)C[C@@H]5C4)n2)CCCC3)c1 ZINC001164789026 721432021 /nfs/dbraw/zinc/43/20/21/721432021.db2.gz VSZYQVLFDNIYOK-HDICACEKSA-N 1 1 452.027 4.701 20 0 JJADMO Clc1cccc(-c2nc3c(c(N4C[C@@H]5C[N@H+](Cc6nccs6)C[C@@H]5C4)n2)CCCC3)c1 ZINC001164789026 721432022 /nfs/dbraw/zinc/43/20/22/721432022.db2.gz VSZYQVLFDNIYOK-HDICACEKSA-N 1 1 452.027 4.701 20 0 JJADMO Clc1cccc(-c2nc3c(c(N4C[C@@H]5C[NH+](Cc6nccs6)C[C@H]5C4)n2)CCCC3)c1 ZINC001164789550 721432235 /nfs/dbraw/zinc/43/22/35/721432235.db2.gz VSZYQVLFDNIYOK-ROUUACIJSA-N 1 1 452.027 4.701 20 0 JJADMO Fc1ccc(-c2nc(Cl)cc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)n2)cc1Cl ZINC001164791054 721434767 /nfs/dbraw/zinc/43/47/67/721434767.db2.gz ZJUANKHBYSRGRS-KBPBESRZSA-N 1 1 450.370 4.614 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(-c5ccccc5)nc(-c5cccs5)n4)C3)O2)CC1 ZINC001164897365 721440536 /nfs/dbraw/zinc/44/05/36/721440536.db2.gz TWSBSZJGEXAZEA-FIPFOOKPSA-N 1 1 489.689 4.638 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(-c5ccc(-c6ccccc6)cc5)nn4)C3)O2)CC1 ZINC001164890731 721441328 /nfs/dbraw/zinc/44/13/28/721441328.db2.gz DPYQSYAUDKNMDC-POURPWNDSA-N 1 1 483.660 4.576 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(C6CCCCC6)cc5)nn4)C3)O2)CC1 ZINC001164892314 721444013 /nfs/dbraw/zinc/44/40/13/721444013.db2.gz ICXLXXBFDVFPSR-FIBWVYCGSA-N 1 1 489.708 4.957 20 0 JJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@]3(CCC[C@@H]3COCc3csc(C)n3)C2)nc1 ZINC001164787517 721445405 /nfs/dbraw/zinc/44/54/05/721445405.db2.gz XHJJPQDSKHWYCZ-QIGHUWCUSA-N 1 1 470.683 4.986 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(-c5cccs5)c4)C3)O2)CC1 ZINC001164889835 721453210 /nfs/dbraw/zinc/45/32/10/721453210.db2.gz PNVHNNDNDDFDCD-XXBNENTESA-N 1 1 497.055 4.774 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1ccc(Cl)c(Cl)n1)CC2 ZINC001164784713 721459439 /nfs/dbraw/zinc/45/94/39/721459439.db2.gz JSACXCXWPFYLTN-QGZVFWFLSA-N 1 1 478.411 4.667 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1ccc(SC)c(Cl)n1)CC2 ZINC001164784474 721461929 /nfs/dbraw/zinc/46/19/29/721461929.db2.gz IIGOZOAPKMMPDA-SFHVURJKSA-N 1 1 490.060 4.736 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1nc3ccccc3nc1Cl)CC2 ZINC001164789396 721462390 /nfs/dbraw/zinc/46/23/90/721462390.db2.gz XQFLFRKRXOBCBY-IBGZPJMESA-N 1 1 495.014 4.562 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C(F)F)nc3ccc(Cl)cc31)CC2 ZINC001164791283 721470535 /nfs/dbraw/zinc/47/05/35/721470535.db2.gz WJWJKSRBYHJMAA-IBGZPJMESA-N 1 1 495.014 4.955 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cc3cc(F)c(OC)cc31)CC2 ZINC001164786510 721474533 /nfs/dbraw/zinc/47/45/33/721474533.db2.gz BNRMIKKIBXZHDU-HXUWFJFHSA-N 1 1 492.035 4.770 20 0 JJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1nc(Cl)cc(N3CCCC3)n1)CC2 ZINC001164792195 721492152 /nfs/dbraw/zinc/49/21/52/721492152.db2.gz IAGCMINZWALCFA-UHFFFAOYSA-N 1 1 477.003 4.551 20 0 JJADMO COc1cc2nc(Cl)nc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c2cc1OC ZINC001164791347 721493331 /nfs/dbraw/zinc/49/33/31/721493331.db2.gz BAEOBGHPSQJSKM-UHFFFAOYSA-N 1 1 468.001 4.576 20 0 JJADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792466 721494027 /nfs/dbraw/zinc/49/40/27/721494027.db2.gz PEJKFKDVQGTWQT-UHFFFAOYSA-N 1 1 477.634 4.658 20 0 JJADMO CCOC(=O)c1sc2nc(C)nc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c2c1C ZINC001164796292 721499986 /nfs/dbraw/zinc/49/99/86/721499986.db2.gz PJOLAPOJVPXXGN-UHFFFAOYSA-N 1 1 479.650 4.761 20 0 JJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(-c3ccc4c(c3)OCCCO4)nn1)CC2 ZINC001164795466 721501292 /nfs/dbraw/zinc/50/12/92/721501292.db2.gz IAVWTVCATGUCAL-UHFFFAOYSA-N 1 1 471.605 4.581 20 0 JJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(C(=O)OCc3ccccc3)cn1)CC2 ZINC001164796693 721501609 /nfs/dbraw/zinc/50/16/09/721501609.db2.gz VKKKRCJWGXQHPE-UHFFFAOYSA-N 1 1 456.590 4.715 20 0 JJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)CC2 ZINC001164797022 721503008 /nfs/dbraw/zinc/50/30/08/721503008.db2.gz XHBIOGUQNDMVEK-UHFFFAOYSA-N 1 1 457.018 4.966 20 0 JJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cncc(OCc3cccc(Cl)c3)n1)CC2 ZINC001164796577 721503383 /nfs/dbraw/zinc/50/33/83/721503383.db2.gz SIURKFLZCMGIDL-UHFFFAOYSA-N 1 1 464.013 4.985 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccc3F)nc3ccc(F)cc32)[C@@H]2CCCO[C@H]12 ZINC001164805142 721541601 /nfs/dbraw/zinc/54/16/01/721541601.db2.gz KZMIOEDNYQNHMN-CYXNTTPDSA-N 1 1 487.554 4.838 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccc3F)nc3ccc(F)cc32)[C@@H]2CCCO[C@H]12 ZINC001164805142 721541605 /nfs/dbraw/zinc/54/16/05/721541605.db2.gz KZMIOEDNYQNHMN-CYXNTTPDSA-N 1 1 487.554 4.838 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3cc(Cl)c(Cl)cc3nc2Cl)[C@@H]2CCCO[C@H]21 ZINC001164798956 721542055 /nfs/dbraw/zinc/54/20/55/721542055.db2.gz AFOQUCUYWGLUQO-VAMGGRTRSA-N 1 1 478.811 4.853 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3cc(Cl)c(Cl)cc3nc2Cl)[C@@H]2CCCO[C@H]21 ZINC001164798956 721542061 /nfs/dbraw/zinc/54/20/61/721542061.db2.gz AFOQUCUYWGLUQO-VAMGGRTRSA-N 1 1 478.811 4.853 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(-c3cc(Cl)ncn3)cc2)[C@@H]2CCCO[C@@H]12 ZINC001164799861 721542664 /nfs/dbraw/zinc/54/26/64/721542664.db2.gz BJYIQTSKOLVULN-CQOQZXRMSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(-c3cc(Cl)ncn3)cc2)[C@@H]2CCCO[C@@H]12 ZINC001164799861 721542668 /nfs/dbraw/zinc/54/26/68/721542668.db2.gz BJYIQTSKOLVULN-CQOQZXRMSA-N 1 1 485.966 4.605 20 0 JJADMO Cc1ccc(-c2csc3ncnc(N4C[C@H]([N@H+](C)Cc5cccnc5)[C@@H]5OCCC[C@H]54)c23)cc1 ZINC001164805207 721547421 /nfs/dbraw/zinc/54/74/21/721547421.db2.gz LFORTMZELKUYAP-GIFXNVAJSA-N 1 1 471.630 4.930 20 0 JJADMO Cc1ccc(-c2csc3ncnc(N4C[C@H]([N@@H+](C)Cc5cccnc5)[C@@H]5OCCC[C@H]54)c23)cc1 ZINC001164805207 721547423 /nfs/dbraw/zinc/54/74/23/721547423.db2.gz LFORTMZELKUYAP-GIFXNVAJSA-N 1 1 471.630 4.930 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ccnc(Cl)c3c2)[C@H]2CCCO[C@H]12 ZINC001164804445 721548722 /nfs/dbraw/zinc/54/87/22/721548722.db2.gz JRGZZKHHJAEUDZ-BDTNDASRSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ccnc(Cl)c3c2)[C@H]2CCCO[C@H]12 ZINC001164804445 721548726 /nfs/dbraw/zinc/54/87/26/721548726.db2.gz JRGZZKHHJAEUDZ-BDTNDASRSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3ccnc(Cl)c32)[C@H]2CCCO[C@H]12 ZINC001164801653 721562524 /nfs/dbraw/zinc/56/25/24/721562524.db2.gz GYYOLRVFGJYYFI-VWPQPMDRSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3ccnc(Cl)c32)[C@H]2CCCO[C@H]12 ZINC001164801653 721562528 /nfs/dbraw/zinc/56/25/28/721562528.db2.gz GYYOLRVFGJYYFI-VWPQPMDRSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(-c3ccccc3)n2)[C@H]2CCCO[C@H]12 ZINC001164800300 721564743 /nfs/dbraw/zinc/56/47/43/721564743.db2.gz DQPDYSSOHBBHLC-MZKRTTBSSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(-c3ccccc3)n2)[C@H]2CCCO[C@H]12 ZINC001164800300 721564747 /nfs/dbraw/zinc/56/47/47/721564747.db2.gz DQPDYSSOHBBHLC-MZKRTTBSSA-N 1 1 485.966 4.605 20 0 JJADMO Cc1sc2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2c1-c1ccccc1 ZINC001164808066 721578494 /nfs/dbraw/zinc/57/84/94/721578494.db2.gz PTUOSKRPUMXUEW-HWBMXIPRSA-N 1 1 471.630 4.930 20 0 JJADMO Cc1sc2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2c1-c1ccccc1 ZINC001164808066 721578497 /nfs/dbraw/zinc/57/84/97/721578497.db2.gz PTUOSKRPUMXUEW-HWBMXIPRSA-N 1 1 471.630 4.930 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3cccc4ccccc43)nn2)[C@H]2CCCO[C@H]12 ZINC001164804334 721584562 /nfs/dbraw/zinc/58/45/62/721584562.db2.gz JMUPEPWWLAJXRL-REUBFRLUSA-N 1 1 451.574 4.560 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3cccc4ccccc43)nn2)[C@H]2CCCO[C@H]12 ZINC001164804334 721584564 /nfs/dbraw/zinc/58/45/64/721584564.db2.gz JMUPEPWWLAJXRL-REUBFRLUSA-N 1 1 451.574 4.560 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)[C@@H]2CCCO[C@@H]12 ZINC001164806281 721586750 /nfs/dbraw/zinc/58/67/50/721586750.db2.gz MTWYSLJPYBWZKJ-DNVJHFABSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)[C@@H]2CCCO[C@@H]12 ZINC001164806281 721586752 /nfs/dbraw/zinc/58/67/52/721586752.db2.gz MTWYSLJPYBWZKJ-DNVJHFABSA-N 1 1 485.966 4.605 20 0 JJADMO Cc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164802606 721587692 /nfs/dbraw/zinc/58/76/92/721587692.db2.gz HBENBHQIVDRIJJ-GSDHBNRESA-N 1 1 478.040 4.601 20 0 JJADMO Cc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164802606 721587694 /nfs/dbraw/zinc/58/76/94/721587694.db2.gz HBENBHQIVDRIJJ-GSDHBNRESA-N 1 1 478.040 4.601 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)n2)[C@H]2CCCO[C@H]12 ZINC001164806964 721588348 /nfs/dbraw/zinc/58/83/48/721588348.db2.gz OFKIAJCDYIZOFM-MZKRTTBSSA-N 1 1 488.394 4.853 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)n2)[C@H]2CCCO[C@H]12 ZINC001164806964 721588349 /nfs/dbraw/zinc/58/83/49/721588349.db2.gz OFKIAJCDYIZOFM-MZKRTTBSSA-N 1 1 488.394 4.853 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2cccc(Cl)c2)[C@H]2CCCO[C@H]12 ZINC001164810860 721589640 /nfs/dbraw/zinc/58/96/40/721589640.db2.gz WLMUCOUBZIXDKU-NNWRFLSQSA-N 1 1 486.403 4.839 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2cccc(Cl)c2)[C@H]2CCCO[C@H]12 ZINC001164810860 721589642 /nfs/dbraw/zinc/58/96/42/721589642.db2.gz WLMUCOUBZIXDKU-NNWRFLSQSA-N 1 1 486.403 4.839 20 0 JJADMO CCc1ccc(Oc2nc(Cl)ncc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)cc1 ZINC001164804086 721590423 /nfs/dbraw/zinc/59/04/23/721590423.db2.gz IHIHUWSFOHCISZ-NHTMILBNSA-N 1 1 480.012 4.748 20 0 JJADMO CCc1ccc(Oc2nc(Cl)ncc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)cc1 ZINC001164804086 721590427 /nfs/dbraw/zinc/59/04/27/721590427.db2.gz IHIHUWSFOHCISZ-NHTMILBNSA-N 1 1 480.012 4.748 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccco3)c2)[C@H]2CCCO[C@H]12 ZINC001164806827 721591758 /nfs/dbraw/zinc/59/17/58/721591758.db2.gz NBSQAEDVMCUGHQ-VWPQPMDRSA-N 1 1 474.939 4.803 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccco3)c2)[C@H]2CCCO[C@H]12 ZINC001164806827 721591761 /nfs/dbraw/zinc/59/17/61/721591761.db2.gz NBSQAEDVMCUGHQ-VWPQPMDRSA-N 1 1 474.939 4.803 20 0 JJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCOC[C@H]3COc3cccnc3)CC2)nc1 ZINC001164802030 721604177 /nfs/dbraw/zinc/60/41/77/721604177.db2.gz RSNCQIKXUNOGKO-UKILVPOCSA-N 1 1 450.627 4.726 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(CC[C@H](C(=O)Nc4cccnc4)O3)[C@@H](C)C2)nc1 ZINC001165009265 721692310 /nfs/dbraw/zinc/69/23/10/721692310.db2.gz OIYYWOYQCCMYCC-CBFLWWMCSA-N 1 1 477.653 4.816 20 0 JJADMO FC1(F)CCN(c2cc(Cl)nnc2-c2ccccc2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904898 721704922 /nfs/dbraw/zinc/70/49/22/721704922.db2.gz FJONYUTUXSFBAU-HSZRJFAPSA-N 1 1 455.940 4.930 20 0 JJADMO Fc1ccc(Oc2nc(Cl)nc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)cc1 ZINC001164908733 721712316 /nfs/dbraw/zinc/71/23/16/721712316.db2.gz YUVNSYJWGVSDOM-QFIPXVFZSA-N 1 1 490.917 4.589 20 0 JJADMO FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904199 721712924 /nfs/dbraw/zinc/71/29/24/721712924.db2.gz AMBSQFMWXOAQTR-OAQYLSRUSA-N 1 1 479.909 4.961 20 0 JJADMO O=C(c1ccccc1)n1ccc2ccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc21 ZINC001164907378 721720344 /nfs/dbraw/zinc/72/03/44/721720344.db2.gz RHRNCBORYKYVOT-MHZLTWQESA-N 1 1 487.554 4.858 20 0 JJADMO FC1(F)CCN(c2ncccc2OCc2ccccc2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906975 721723254 /nfs/dbraw/zinc/72/32/54/721723254.db2.gz PDGFGXWCTZHUGC-VWLOTQADSA-N 1 1 450.533 4.793 20 0 JJADMO CC(C)C(=O)N1CCC[C@@]12CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001165009935 721726357 /nfs/dbraw/zinc/72/63/57/721726357.db2.gz ZWVPLEJGXMUUOS-MHZLTWQESA-N 1 1 481.710 4.783 20 0 JJADMO CC(C)C(=O)N1CCC[C@]12CCN(c1nc(C[NH+]3CCC(C)CC3)nc3sc4c(c31)CCC4)C2 ZINC001165007332 721726681 /nfs/dbraw/zinc/72/66/81/721726681.db2.gz BJWRZXZUZBXBKW-HHHXNRCGSA-N 1 1 481.710 4.639 20 0 JJADMO FC1(F)CCN(c2cc(-c3nc(-c4cccs4)no3)ccn2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164911161 721729737 /nfs/dbraw/zinc/72/97/37/721729737.db2.gz IIUDHAKAPDOFTB-DEOSSOPVSA-N 1 1 494.571 4.993 20 0 JJADMO CCN(c1ccccc1)c1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncn1 ZINC001164910585 721731347 /nfs/dbraw/zinc/73/13/47/721731347.db2.gz GNLDJRCUENHGCQ-RUZDIDTESA-N 1 1 464.564 4.767 20 0 JJADMO FC1(F)CCN(c2nc(-c3ccccn3)nc3sccc32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164912608 721732727 /nfs/dbraw/zinc/73/27/27/721732727.db2.gz OTTWLSFPHYYWAB-DEOSSOPVSA-N 1 1 478.572 4.886 20 0 JJADMO FC1(F)CCN(c2nccc(SCc3ccccc3)n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164909831 721733483 /nfs/dbraw/zinc/73/34/83/721733483.db2.gz DVJSBXKQLCFEDG-XMMPIXPASA-N 1 1 467.589 4.902 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1nc(Cl)cc(Cl)n1)C2 ZINC001164907982 721746753 /nfs/dbraw/zinc/74/67/53/721746753.db2.gz FQHXFVATFLYOIB-UHFFFAOYSA-N 1 1 454.308 4.511 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1nc(Cl)cc(Cl)n1)C2 ZINC001164907982 721746760 /nfs/dbraw/zinc/74/67/60/721746760.db2.gz FQHXFVATFLYOIB-UHFFFAOYSA-N 1 1 454.308 4.511 20 0 JJADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cnc(Cl)c(-c3ccccc3F)c2)CC1 ZINC001165012422 721747792 /nfs/dbraw/zinc/74/77/92/721747792.db2.gz HKVSRSDIKIYWTL-UHFFFAOYSA-N 1 1 480.962 4.609 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(Cl)nc(Cc3ccccc3)n1)C2 ZINC001164909368 721752135 /nfs/dbraw/zinc/75/21/35/721752135.db2.gz PQDQGSHKXPODIL-UHFFFAOYSA-N 1 1 459.981 4.904 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(Cl)nc(Cc3ccccc3)n1)C2 ZINC001164909368 721752143 /nfs/dbraw/zinc/75/21/43/721752143.db2.gz PQDQGSHKXPODIL-UHFFFAOYSA-N 1 1 459.981 4.904 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc3cc(F)c(F)cc3nc1Cl)C2 ZINC001164907963 721752153 /nfs/dbraw/zinc/75/21/53/721752153.db2.gz FCMKCHNFXIWLRA-UHFFFAOYSA-N 1 1 455.896 4.744 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc3cc(F)c(F)cc3nc1Cl)C2 ZINC001164907963 721752158 /nfs/dbraw/zinc/75/21/58/721752158.db2.gz FCMKCHNFXIWLRA-UHFFFAOYSA-N 1 1 455.896 4.744 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(-c3nc(C(C)(C)C)no3)ccn1)C2 ZINC001164911381 721758914 /nfs/dbraw/zinc/75/89/14/721758914.db2.gz VCIZEBJOQROOGX-UHFFFAOYSA-N 1 1 458.566 4.612 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(-c3nc(C(C)(C)C)no3)ccn1)C2 ZINC001164911381 721758917 /nfs/dbraw/zinc/75/89/17/721758917.db2.gz VCIZEBJOQROOGX-UHFFFAOYSA-N 1 1 458.566 4.612 20 0 JJADMO COc1ccc(Cc2c(C)nc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nc2C)cc1 ZINC001164909637 721764453 /nfs/dbraw/zinc/76/44/53/721764453.db2.gz DWXGKGVRUMCCFH-UHFFFAOYSA-N 1 1 483.616 4.876 20 0 JJADMO COc1ccc(Cc2c(C)nc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nc2C)cc1 ZINC001164909637 721764454 /nfs/dbraw/zinc/76/44/54/721764454.db2.gz DWXGKGVRUMCCFH-UHFFFAOYSA-N 1 1 483.616 4.876 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccnc(CSc3ccccc3)n1)C2 ZINC001164912301 721765604 /nfs/dbraw/zinc/76/56/04/721765604.db2.gz XUNLFCCKBPACQI-UHFFFAOYSA-N 1 1 457.603 4.952 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccnc(CSc3ccccc3)n1)C2 ZINC001164912301 721765606 /nfs/dbraw/zinc/76/56/06/721765606.db2.gz XUNLFCCKBPACQI-UHFFFAOYSA-N 1 1 457.603 4.952 20 0 JJADMO c1nc2c(c(C3CC3)n1)CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164916502 721803923 /nfs/dbraw/zinc/80/39/23/721803923.db2.gz PNMJWBGEQMRKJW-UHFFFAOYSA-N 1 1 474.678 4.829 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c(Cl)nc(Cl)nc43)C[C@H]21 ZINC001165019564 721806240 /nfs/dbraw/zinc/80/62/40/721806240.db2.gz DCIGXMZHEWCPBX-NWANDNLSSA-N 1 1 478.815 4.512 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@]4(C[C@@H](Oc5cccnc5)CO4)C3)c2c1C ZINC001164917323 721806932 /nfs/dbraw/zinc/80/69/32/721806932.db2.gz UXYYZCGCWGKVCJ-QFQXNSOFSA-N 1 1 479.650 4.506 20 0 JJADMO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(n3)CCN(Cc3ccccc3)C4)C[C@H]21 ZINC001165017885 721807604 /nfs/dbraw/zinc/80/76/04/721807604.db2.gz BALLOCZUKUQJGB-WOEHHYBBSA-N 1 1 467.661 4.772 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(n3)CCN(Cc3ccccc3)C4)C[C@H]21 ZINC001165017885 721807605 /nfs/dbraw/zinc/80/76/05/721807605.db2.gz BALLOCZUKUQJGB-WOEHHYBBSA-N 1 1 467.661 4.772 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)cnc4c3)C[C@@H]21 ZINC001165019787 721809966 /nfs/dbraw/zinc/80/99/66/721809966.db2.gz BUWQWCUYXYCXDO-GTCCEBARSA-N 1 1 457.956 4.960 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc(Oc4ccc(F)cc4)n3)C[C@H]21 ZINC001165022767 721817032 /nfs/dbraw/zinc/81/70/32/721817032.db2.gz HDBZWQYGIMMYJQ-ZLGUVYLKSA-N 1 1 468.964 4.588 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4ccn(C(=O)c5ccccc5)c4n3)C[C@@H]21 ZINC001165030148 721821260 /nfs/dbraw/zinc/82/12/60/721821260.db2.gz YBKUSONOENEDNK-DMTNHVFBSA-N 1 1 465.601 4.857 20 0 JJADMO CCOC(=O)c1sc2nc(C)nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1C ZINC001165028914 721823124 /nfs/dbraw/zinc/82/31/24/721823124.db2.gz VVIOMEBAAMYILP-TYPHKJRUSA-N 1 1 479.650 4.617 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(C(=O)NC4CCCC4)cc3Cl)C[C@H]21 ZINC001165019166 721824939 /nfs/dbraw/zinc/82/49/39/721824939.db2.gz BGAIDFXNIMQNKJ-IHLLOCCUSA-N 1 1 468.045 4.539 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(C(=O)NC4CCCC4)cc3Cl)C[C@H]21 ZINC001165019172 721824994 /nfs/dbraw/zinc/82/49/94/721824994.db2.gz BGAIDFXNIMQNKJ-KUWBRRTOSA-N 1 1 468.045 4.539 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)C[C@H]21 ZINC001165027827 721832625 /nfs/dbraw/zinc/83/26/25/721832625.db2.gz UCZFXGINUQKXLY-USXIJHARSA-N 1 1 479.000 4.503 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4c[nH]c5nc(Cl)ccc45)CC3)C2)cc1 ZINC001164938977 721926846 /nfs/dbraw/zinc/92/68/46/721926846.db2.gz FOFFOWYCDCRXHK-UHFFFAOYSA-N 1 1 460.956 4.941 20 0 JJADMO CCOC(=O)c1ccc(C(F)(F)N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c(Cl)n1 ZINC001164940020 721929510 /nfs/dbraw/zinc/92/95/10/721929510.db2.gz PRPXXJLBJXPDJX-UHFFFAOYSA-N 1 1 493.982 4.636 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc5ccn(C(=O)c6ccccc6)c5n4)CC3)C2)cc1 ZINC001164940717 721929667 /nfs/dbraw/zinc/92/96/67/721929667.db2.gz YNQITDDTSMLKLR-UHFFFAOYSA-N 1 1 480.612 4.905 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)Cc4nc5c(ncnc5Cl)s4)CC3)C2)cc1 ZINC001164941123 721933843 /nfs/dbraw/zinc/93/38/43/721933843.db2.gz GFJXGDYGFDGRAB-UHFFFAOYSA-N 1 1 494.011 4.550 20 0 JJADMO COC[C@@]12COC[C@@H]1CN(c1nc(C[NH+]3CCC(C)CC3)nc3scc(-c4cccs4)c31)C2 ZINC001164948184 721995185 /nfs/dbraw/zinc/99/51/85/721995185.db2.gz FBHOZHDSGFNRNU-BVZFJXPGSA-N 1 1 484.691 4.751 20 0 JJADMO Clc1nc2c(c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)n1)CN(Cc1ccccc1)CC2 ZINC001164954315 722014093 /nfs/dbraw/zinc/01/40/93/722014093.db2.gz KQFSBNGYMOXTRH-UHFFFAOYSA-N 1 1 489.067 4.576 20 0 JJADMO c1ccc(CN2CCc3nc(N4CCC5(CC[N@H+](Cc6cccnc6)C5)CC4)ccc3C2)cc1 ZINC001164951757 722015824 /nfs/dbraw/zinc/01/58/24/722015824.db2.gz DHKCVPCUBLLCBN-UHFFFAOYSA-N 1 1 453.634 4.527 20 0 JJADMO c1ccc(CN2CCc3nc(N4CCC5(CC[N@@H+](Cc6cccnc6)C5)CC4)ccc3C2)cc1 ZINC001164951757 722015829 /nfs/dbraw/zinc/01/58/29/722015829.db2.gz DHKCVPCUBLLCBN-UHFFFAOYSA-N 1 1 453.634 4.527 20 0 JJADMO FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165056175 722018992 /nfs/dbraw/zinc/01/89/92/722018992.db2.gz YNJJEAKGBPSPSE-UHFFFAOYSA-N 1 1 458.940 4.619 20 0 JJADMO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955504 722021389 /nfs/dbraw/zinc/02/13/89/722021389.db2.gz JQPZTVOPGDTMCR-UHFFFAOYSA-N 1 1 470.955 4.624 20 0 JJADMO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c12 ZINC001164955690 722021895 /nfs/dbraw/zinc/02/18/95/722021895.db2.gz NJASLGPWJZVTLN-UHFFFAOYSA-N 1 1 466.633 4.984 20 0 JJADMO COc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1 ZINC001164957429 722024554 /nfs/dbraw/zinc/02/45/54/722024554.db2.gz BSRXIOMCFNDJER-UHFFFAOYSA-N 1 1 465.985 4.818 20 0 JJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCCC[C@]3(COCc3cccc(C)n3)C2)nc1 ZINC001164959016 722027302 /nfs/dbraw/zinc/02/73/02/722027302.db2.gz HMTSRXKHNWOICB-FULLSBAXSA-N 1 1 464.654 4.924 20 0 JJADMO CC(C)C(=O)N[C@@H]1[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164960123 722039623 /nfs/dbraw/zinc/03/96/23/722039623.db2.gz JLSBFQFHQVWFKQ-GZOXUSKESA-N 1 1 475.662 4.551 20 0 JJADMO CSc1ccc(Oc2cc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)ncn2)cc1 ZINC001164960722 722058771 /nfs/dbraw/zinc/05/87/71/722058771.db2.gz JHFUWJWPOFLBCU-UHFFFAOYSA-N 1 1 477.634 4.505 20 0 JJADMO Fc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164966721 722061865 /nfs/dbraw/zinc/06/18/65/722061865.db2.gz XLYJUBDKLFZUSR-UHFFFAOYSA-N 1 1 483.975 4.575 20 0 JJADMO CCc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164966629 722061981 /nfs/dbraw/zinc/06/19/81/722061981.db2.gz WDXKCVWZIYTXGZ-UHFFFAOYSA-N 1 1 494.039 4.999 20 0 JJADMO Fc1ccc(F)c2c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)cc(Cl)nc12 ZINC001164966675 722062530 /nfs/dbraw/zinc/06/25/30/722062530.db2.gz WNDXEDRWPJQGMZ-UHFFFAOYSA-N 1 1 458.940 4.680 20 0 JJADMO O=C(NC1CCC1)C1C[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@@H]2C1 ZINC001164970703 722085569 /nfs/dbraw/zinc/08/55/69/722085569.db2.gz FZGPOABPGNXSAE-PMACEKPBSA-N 1 1 493.721 4.687 20 0 JJADMO c1ccc(-c2cc(-c3ccccc3)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164971373 722108276 /nfs/dbraw/zinc/10/82/76/722108276.db2.gz BMKOARPYFJUVBA-WNJJXGMVSA-N 1 1 477.612 4.933 20 0 JJADMO Clc1cc2nc(Cl)c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2cc1Cl ZINC001164971438 722108387 /nfs/dbraw/zinc/10/83/87/722108387.db2.gz CLFDTTXWWZSIAE-QRWLVFNGSA-N 1 1 478.811 4.712 20 0 JJADMO Cc1ccc(-c2csc3ncnc(N4CC[C@@H]5C[N@@H+](Cc6cccnc6)CCO[C@@H]5C4)c23)cc1 ZINC001164979125 722111530 /nfs/dbraw/zinc/11/15/30/722111530.db2.gz PDNFUZFKYFRJMQ-ISKFKSNPSA-N 1 1 471.630 4.789 20 0 JJADMO FC(F)(c1cccc2ccnc(Cl)c21)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981175 722126378 /nfs/dbraw/zinc/12/63/78/722126378.db2.gz UCCNWHMXTWSPIS-FPOVZHCZSA-N 1 1 458.940 4.555 20 0 JJADMO FC(F)(c1cc2ccccc2nc1Cl)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975191 722130491 /nfs/dbraw/zinc/13/04/91/722130491.db2.gz FKCAVJHFHPOTAZ-KNQAVFIVSA-N 1 1 458.940 4.555 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c3ccccc32)cc1 ZINC001164972594 722138986 /nfs/dbraw/zinc/13/89/86/722138986.db2.gz AEOWXQCTLXMBBC-IGKIAQTJSA-N 1 1 465.601 4.728 20 0 JJADMO Cc1nc2scc(-c3cccs3)c2c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164973225 722141696 /nfs/dbraw/zinc/14/16/96/722141696.db2.gz BNVAKLATDQXLAJ-FPOVZHCZSA-N 1 1 477.659 4.851 20 0 JJADMO Fc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164980264 722141704 /nfs/dbraw/zinc/14/17/04/722141704.db2.gz MITYTUGLKATBKA-ATIYNZHBSA-N 1 1 469.564 4.558 20 0 JJADMO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976033 722143070 /nfs/dbraw/zinc/14/30/70/722143070.db2.gz GRIIOCHNLCRHOA-PXNSSMCTSA-N 1 1 491.995 4.526 20 0 JJADMO c1ccc(-c2ccc(-c3ccc(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@H]5C4)nn3)cc2)cc1 ZINC001164978117 722148010 /nfs/dbraw/zinc/14/80/10/722148010.db2.gz JZJLZSSKCGMBHN-YTMVLYRLSA-N 1 1 477.612 4.933 20 0 JJADMO Cc1nc(-c2ccccc2Cl)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1C ZINC001164980917 722148408 /nfs/dbraw/zinc/14/84/08/722148408.db2.gz NTQXWRVMVLDZLT-URXFXBBRSA-N 1 1 464.013 4.536 20 0 JJADMO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164977190 722156639 /nfs/dbraw/zinc/15/66/39/722156639.db2.gz YEVPTYQZNMXSAA-URXFXBBRSA-N 1 1 480.012 4.607 20 0 JJADMO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972116 722158071 /nfs/dbraw/zinc/15/80/71/722158071.db2.gz FRXVGZYVRVOGBR-GCJKJVERSA-N 1 1 474.939 4.662 20 0 JJADMO Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c(Cl)nn2)c1 ZINC001164972463 722158163 /nfs/dbraw/zinc/15/81/63/722158163.db2.gz HXNYTNOBIHAFRX-URXFXBBRSA-N 1 1 499.993 4.773 20 0 JJADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3C[C@@H]4c5ccccc5[C@H](OCC5CC5)[C@@H]4C3)C2)cc1 ZINC001164980472 722170568 /nfs/dbraw/zinc/17/05/68/722170568.db2.gz YIYFPBZRWUPMLE-GTNKKZTPSA-N 1 1 452.602 4.736 20 0 JJADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3C[C@@H]4c5ccccc5[C@H](OCC5CC5)[C@@H]4C3)C2)cc1 ZINC001164980472 722170569 /nfs/dbraw/zinc/17/05/69/722170569.db2.gz YIYFPBZRWUPMLE-GTNKKZTPSA-N 1 1 452.602 4.736 20 0 JJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc(Cl)nc4c2ncn4Cc2ccccc2)C3)c1 ZINC001164994259 722196815 /nfs/dbraw/zinc/19/68/15/722196815.db2.gz MFAOZAQEOOXKEL-AREMUKBSSA-N 1 1 476.987 4.912 20 0 JJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc(Cl)nc4c2ncn4[C@@H]2CCCCO2)C3)c1 ZINC001164993937 722199062 /nfs/dbraw/zinc/19/90/62/722199062.db2.gz JMHDHNNXUOJGKE-YADARESESA-N 1 1 470.980 4.563 20 0 JJADMO COc1ccc(Cn2cc3[nH]c(N4CCC[C@]5(CC[N@H+]5Cc5cccc(F)c5)C4)ccc-3c2=O)cc1 ZINC001164997298 722206939 /nfs/dbraw/zinc/20/69/39/722206939.db2.gz YVFILQFHLJILLQ-LJAQVGFWSA-N 1 1 486.591 4.630 20 0 JJADMO O=C(c1cccnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1)N1CCc2ccccc21 ZINC001164995694 722207782 /nfs/dbraw/zinc/20/77/82/722207782.db2.gz PKROTEGTEKFTGB-NDEPHWFRSA-N 1 1 456.565 4.669 20 0 JJADMO O=C(c1cccnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1)N1CCc2ccccc21 ZINC001164995693 722207806 /nfs/dbraw/zinc/20/78/06/722207806.db2.gz PKROTEGTEKFTGB-MUUNZHRXSA-N 1 1 456.565 4.669 20 0 JJADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(C(F)(F)c2nc(-c4ccc(Cl)nc4)no2)C3)c1 ZINC001164998295 722211610 /nfs/dbraw/zinc/21/16/10/722211610.db2.gz VMDOVIXXDDKGQP-NRFANRHFSA-N 1 1 463.891 4.714 20 0 JJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(C(F)(F)c2nc(-c4ccc(Cl)nc4)no2)C3)c1 ZINC001164998295 722211613 /nfs/dbraw/zinc/21/16/13/722211613.db2.gz VMDOVIXXDDKGQP-NRFANRHFSA-N 1 1 463.891 4.714 20 0 JJADMO COc1ccc(-c2ccc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nn2)c(OC)c1OC ZINC001164998769 722211637 /nfs/dbraw/zinc/21/16/37/722211637.db2.gz XOPZUXRVIWSMDX-HHHXNRCGSA-N 1 1 478.568 4.553 20 0 JJADMO CC(C)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001359712490 1064260978 /nfs/dbraw/zinc/26/09/78/1064260978.db2.gz VCKGXHIVJDSZJD-UNMCSNQZSA-N 1 1 474.694 4.502 20 0 JJADMO CC(C)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001359712488 1064261032 /nfs/dbraw/zinc/26/10/32/1064261032.db2.gz VCKGXHIVJDSZJD-IRLDBZIGSA-N 1 1 474.694 4.502 20 0 JJADMO CC(C)c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1C[C@](C)(O)c1ccccc1Cl ZINC001359716215 1064265294 /nfs/dbraw/zinc/26/52/94/1064265294.db2.gz ZCEVZYDBRBHKHL-UUOWRZLLSA-N 1 1 474.074 4.907 20 0 JJADMO CC(C)c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CC[C@@H](C)c1ccccc1 ZINC001359720790 1064268108 /nfs/dbraw/zinc/26/81/08/1064268108.db2.gz DSHOFJLGXMDIAW-SMIHKQSGSA-N 1 1 452.691 4.590 20 0 JJADMO CC(C)[C@H]1CCCN(c2nnc(-c3ccccc3Cl)n2CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001359729783 1064280478 /nfs/dbraw/zinc/28/04/78/1064280478.db2.gz HCCDVHXMWGFOFX-QFIPXVFZSA-N 1 1 473.109 4.745 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccccc3)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001545870898 1064286346 /nfs/dbraw/zinc/28/63/46/1064286346.db2.gz ZCXIPPJXZFVUMC-QFIPXVFZSA-N 1 1 480.701 4.701 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1Cc1c(C)cc(C)cc1C ZINC001545876244 1064292636 /nfs/dbraw/zinc/29/26/36/1064292636.db2.gz UXPZGPQLLZZOLG-UHFFFAOYSA-N 1 1 482.717 4.727 20 0 JJADMO CC(C)[C@H]1CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001359737580 1064298509 /nfs/dbraw/zinc/29/85/09/1064298509.db2.gz AQNBKDZEBJVIRU-CIAFKFPVSA-N 1 1 488.721 4.794 20 0 JJADMO CC(C)[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[N@H+]2CCCC[C@H]2C)C1 ZINC001359737745 1064299504 /nfs/dbraw/zinc/29/95/04/1064299504.db2.gz FHAPCRXOQIERBO-IRLDBZIGSA-N 1 1 487.092 4.608 20 0 JJADMO CC(C)[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[N@H+]2CCCC[C@H]2C)C1 ZINC001359737744 1064299525 /nfs/dbraw/zinc/29/95/25/1064299525.db2.gz FHAPCRXOQIERBO-IFMALSPDSA-N 1 1 487.092 4.608 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC3(CCCC3)C2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001545884718 1064301074 /nfs/dbraw/zinc/30/10/74/1064301074.db2.gz BQWYCTLMZRVXAR-QFIPXVFZSA-N 1 1 487.092 4.923 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCc3c(Cl)cccc3C2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001545886628 1064303952 /nfs/dbraw/zinc/30/39/52/1064303952.db2.gz GYWDZZGPWAAHHU-RBUKOAKNSA-N 1 1 487.092 4.533 20 0 JJADMO COc1ccc(C2(CNC(=O)c3cccc(C[N@@H+](C)Cc4ccccc4)c3)CCOCC2)cc1 ZINC001434878478 1064311458 /nfs/dbraw/zinc/31/14/58/1064311458.db2.gz UDNUBIATQSLFGE-UHFFFAOYSA-N 1 1 458.602 4.805 20 0 JJADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3NC(=O)OC(C)(C)C)C1 ZINC001434880341 1064313181 /nfs/dbraw/zinc/31/31/81/1064313181.db2.gz BBGZRJBPBFTGBJ-OSVUJJKXSA-N 1 1 455.643 4.658 20 0 JJADMO CC(C)[C@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001359744305 1064315737 /nfs/dbraw/zinc/31/57/37/1064315737.db2.gz DLKIMQXSNBXHPK-MSOLQXFVSA-N 1 1 476.463 4.585 20 0 JJADMO Cc1cc(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)nn1-c1ccc(Br)cc1 ZINC001434883976 1064316051 /nfs/dbraw/zinc/31/60/51/1064316051.db2.gz QCUPZDUPGWFAEG-XLIONFOSSA-N 1 1 453.384 4.509 20 0 JJADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c1 ZINC001434894368 1064322965 /nfs/dbraw/zinc/32/29/65/1064322965.db2.gz AXNQLJDGTMQWJX-UHFFFAOYSA-N 1 1 455.602 4.875 20 0 JJADMO CC(C)[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+]2CCCC(C)(C)C2)CCO1 ZINC001359746561 1064324075 /nfs/dbraw/zinc/32/40/75/1064324075.db2.gz IXVLIEKBRYZMSN-NRFANRHFSA-N 1 1 477.600 4.530 20 0 JJADMO CC(C)[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC[N@@H+](C)C2CCCCC2)CCO1 ZINC001359748005 1064332018 /nfs/dbraw/zinc/33/20/18/1064332018.db2.gz MPGVBICWSNAXBG-JOCHJYFZSA-N 1 1 490.490 4.833 20 0 JJADMO CC(C)[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC[N@H+]2CCC[C@H]2C)CCS1 ZINC001359748411 1064334010 /nfs/dbraw/zinc/33/40/10/1064334010.db2.gz VDOPZTNDNOKIEN-XLIONFOSSA-N 1 1 478.504 4.770 20 0 JJADMO CC(C)[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC[N@H+]2CCC[C@H]2C)CCS1 ZINC001359748412 1064334154 /nfs/dbraw/zinc/33/41/54/1064334154.db2.gz VDOPZTNDNOKIEN-YLJYHZDGSA-N 1 1 478.504 4.770 20 0 JJADMO CC(C)[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CCS1 ZINC001359753358 1064343029 /nfs/dbraw/zinc/34/30/29/1064343029.db2.gz IDCHHCBHLBHJEO-GOTSBHOMSA-N 1 1 485.101 4.798 20 0 JJADMO COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001434920462 1064347762 /nfs/dbraw/zinc/34/77/62/1064347762.db2.gz KBFAYTBAITVRRA-FIPFOOKPSA-N 1 1 458.602 4.556 20 0 JJADMO COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001434920462 1064347776 /nfs/dbraw/zinc/34/77/76/1064347776.db2.gz KBFAYTBAITVRRA-FIPFOOKPSA-N 1 1 458.602 4.556 20 0 JJADMO COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001434920476 1064347982 /nfs/dbraw/zinc/34/79/82/1064347982.db2.gz KBFAYTBAITVRRA-QDPGVEIFSA-N 1 1 458.602 4.556 20 0 JJADMO COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001434920476 1064347996 /nfs/dbraw/zinc/34/79/96/1064347996.db2.gz KBFAYTBAITVRRA-QDPGVEIFSA-N 1 1 458.602 4.556 20 0 JJADMO CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001359756370 1064353408 /nfs/dbraw/zinc/35/34/08/1064353408.db2.gz QGNDNWBYXWYYMZ-IRLDBZIGSA-N 1 1 490.490 4.689 20 0 JJADMO CC(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001359760763 1064370169 /nfs/dbraw/zinc/37/01/69/1064370169.db2.gz YXKQGTRXUMQQSM-BVAGGSTKSA-N 1 1 471.665 4.626 20 0 JJADMO CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001359762114 1064374483 /nfs/dbraw/zinc/37/44/83/1064374483.db2.gz QEBMQIGVTLUDQM-GGAORHGYSA-N 1 1 460.066 4.970 20 0 JJADMO CC(C)[C@@H]1OCCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001359763286 1064378876 /nfs/dbraw/zinc/37/88/76/1064378876.db2.gz IDRWZCOLZQBVGY-VPUSJEBWSA-N 1 1 467.702 4.825 20 0 JJADMO CCCN(C(=O)C1(c2cncc(Br)c2)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001434976484 1064391968 /nfs/dbraw/zinc/39/19/68/1064391968.db2.gz LTAXKLHQFYRKOJ-JOCHJYFZSA-N 1 1 456.428 4.779 20 0 JJADMO CC(C)C[C@H](Cn1c(C2CCCC2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC001359770018 1064400996 /nfs/dbraw/zinc/40/09/96/1064400996.db2.gz YBKHWQHLWPVODP-WIOPSUGQSA-N 1 1 452.691 4.623 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001359775342 1064418055 /nfs/dbraw/zinc/41/80/55/1064418055.db2.gz NUPSQHSIGCFIBT-ZXUFVLKRSA-N 1 1 459.704 4.532 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1C[C@@](C)(O)C1CCCCC1 ZINC001359777166 1064420401 /nfs/dbraw/zinc/42/04/01/1064420401.db2.gz CGHRTFDDGMJMMQ-LEAFIULHSA-N 1 1 467.702 4.909 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1CC(F)(F)Br ZINC001359777285 1064420530 /nfs/dbraw/zinc/42/05/30/1064420530.db2.gz FXMCQRSYZMYNSX-MJGOQNOKSA-N 1 1 484.433 4.954 20 0 JJADMO CC(C)Cc1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1C[C@H](c1ccsc1)N(C)C ZINC001359777747 1064422047 /nfs/dbraw/zinc/42/20/47/1064422047.db2.gz QMAPBBJRXZLNGT-RUZDIDTESA-N 1 1 480.726 4.942 20 0 JJADMO CC(C)Cc1nnc(N(C)Cc2ccc(C(F)(F)F)cc2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001359780250 1064428703 /nfs/dbraw/zinc/42/87/03/1064428703.db2.gz OSIAJUJGBOKVSX-LJQANCHMSA-N 1 1 467.580 4.633 20 0 JJADMO CC(C)Cc1nnc(N(C)Cc2cnn(Cc3ccccc3)c2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001359781633 1064432374 /nfs/dbraw/zinc/43/23/74/1064432374.db2.gz OZKADNFTLOMMOX-QHCPKHFHSA-N 1 1 477.701 4.868 20 0 JJADMO CC(C)Cc1nnc(N(C)Cc2nccs2)n1CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001359782322 1064434286 /nfs/dbraw/zinc/43/42/86/1064434286.db2.gz PNYUSVPEJKSQKG-IFMALSPDSA-N 1 1 452.672 4.870 20 0 JJADMO CC(C)Cc1nnc(N(C)C[C@@H]2CCCCO2)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001359783444 1064435255 /nfs/dbraw/zinc/43/52/55/1064435255.db2.gz ZAOARQFJDITUIG-VJTSUQJLSA-N 1 1 453.675 4.783 20 0 JJADMO CC(C)Cc1nnc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1C[C@H]1CCCO[C@@H]1C(C)C ZINC001359784103 1064437064 /nfs/dbraw/zinc/43/70/64/1064437064.db2.gz RIONPKNHVQDZMK-ZWEKWIFMSA-N 1 1 467.702 4.886 20 0 JJADMO CC(C)Cc1nnc(N(C)CCC2CCOCC2)n1C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001359785020 1064438788 /nfs/dbraw/zinc/43/87/88/1064438788.db2.gz WSRQEXXGSAQVGX-URXFXBBRSA-N 1 1 459.704 4.874 20 0 JJADMO CC(C)Cc1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1CCCC1CCCC1 ZINC001359786180 1064439706 /nfs/dbraw/zinc/43/97/06/1064439706.db2.gz NPQKWMBZKZTBNZ-WIOPSUGQSA-N 1 1 455.695 4.700 20 0 JJADMO CC(C)Cc1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C[C@H](C)c1ccccc1 ZINC001359786428 1064440654 /nfs/dbraw/zinc/44/06/54/1064440654.db2.gz XJSPCIGEYGRDLM-RZPFDVGOSA-N 1 1 463.674 4.533 20 0 JJADMO CC(C)Cc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001359794390 1064452458 /nfs/dbraw/zinc/45/24/58/1064452458.db2.gz WTWZYTFNMLCACG-PMVMPFDFSA-N 1 1 493.618 4.935 20 0 JJADMO CC(C)Cc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001359795374 1064453769 /nfs/dbraw/zinc/45/37/69/1064453769.db2.gz IGEYHLBXBZCYJF-LJQANCHMSA-N 1 1 479.591 4.735 20 0 JJADMO CCCOc1ccc(CCC(=O)N(C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)cc1 ZINC001359795115 1064453832 /nfs/dbraw/zinc/45/38/32/1064453832.db2.gz HEFAFHJUPPBQIX-UHFFFAOYSA-N 1 1 453.627 4.551 20 0 JJADMO CC(C)Cc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001359799156 1064464840 /nfs/dbraw/zinc/46/48/40/1064464840.db2.gz YJWWBALCBUCIHC-FCHUYYIVSA-N 1 1 490.737 4.727 20 0 JJADMO CC(C)Cc1nnc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001359799161 1064464869 /nfs/dbraw/zinc/46/48/69/1064464869.db2.gz YJZQVIBGPIDMOQ-FCHUYYIVSA-N 1 1 490.737 4.871 20 0 JJADMO CC(C)Cc1nnc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001359799157 1064464900 /nfs/dbraw/zinc/46/49/00/1064464900.db2.gz YJWWBALCBUCIHC-FGZHOGPDSA-N 1 1 490.737 4.727 20 0 JJADMO CN(C)C(=O)Sc1ccc(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001359799930 1064466839 /nfs/dbraw/zinc/46/68/39/1064466839.db2.gz YWRVGHDBEAVUQI-NRFANRHFSA-N 1 1 451.514 4.853 20 0 JJADMO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001435052914 1064471139 /nfs/dbraw/zinc/47/11/39/1064471139.db2.gz LTTWNLIIZHHKNW-TUNNFDKTSA-N 1 1 466.931 4.993 20 0 JJADMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001435052914 1064471146 /nfs/dbraw/zinc/47/11/46/1064471146.db2.gz LTTWNLIIZHHKNW-TUNNFDKTSA-N 1 1 466.931 4.993 20 0 JJADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)Cc3csc4cc(C)sc34)CC2)c1C ZINC001435055411 1064473809 /nfs/dbraw/zinc/47/38/09/1064473809.db2.gz CDKYQYKVXJVYEN-UHFFFAOYSA-N 1 1 457.665 4.957 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001359807746 1064478057 /nfs/dbraw/zinc/47/80/57/1064478057.db2.gz BYDPMUSFFCEKIV-UPVQGACJSA-N 1 1 498.716 4.690 20 0 JJADMO CC(C)Cc1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1Cc1csc(-c2ccco2)n1 ZINC001359808041 1064479075 /nfs/dbraw/zinc/47/90/75/1064479075.db2.gz GYGLZKNGYHKXDP-UHFFFAOYSA-N 1 1 456.660 4.798 20 0 JJADMO CC(C)Cc1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001359808364 1064479730 /nfs/dbraw/zinc/47/97/30/1064479730.db2.gz NGKPCDRDPGFEII-GGAORHGYSA-N 1 1 498.682 4.842 20 0 JJADMO CC(C)Cc1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001359808923 1064481601 /nfs/dbraw/zinc/48/16/01/1064481601.db2.gz ASDHEEOFDGQLCE-JOCHJYFZSA-N 1 1 490.737 4.872 20 0 JJADMO CC(C)Cc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C/C=C\c1ccccc1 ZINC001359809410 1064483337 /nfs/dbraw/zinc/48/33/37/1064483337.db2.gz PDDABXYPQKRKJX-FZHDGDSDSA-N 1 1 451.659 4.516 20 0 JJADMO CC(C)Cc1nnc(N2CCC(O)(Cc3ccc(F)cc3)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001359814804 1064493855 /nfs/dbraw/zinc/49/38/55/1064493855.db2.gz BCLGAZHRPAVIHY-QHCPKHFHSA-N 1 1 485.692 4.844 20 0 JJADMO CC(C)Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001359815591 1064496142 /nfs/dbraw/zinc/49/61/42/1064496142.db2.gz PSOIIDRVOAKXMK-JOCHJYFZSA-N 1 1 483.701 4.530 20 0 JJADMO CC(C)Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001359815591 1064496153 /nfs/dbraw/zinc/49/61/53/1064496153.db2.gz PSOIIDRVOAKXMK-JOCHJYFZSA-N 1 1 483.701 4.530 20 0 JJADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)c1 ZINC001359816418 1064498826 /nfs/dbraw/zinc/49/88/26/1064498826.db2.gz HUXKLVAVVWUQPA-UHFFFAOYSA-N 1 1 451.527 4.975 20 0 JJADMO O=C(NCCOc1ccccc1C(F)(F)F)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001435078072 1064500359 /nfs/dbraw/zinc/50/03/59/1064500359.db2.gz MVAGHDGPYNFJHJ-FCHUYYIVSA-N 1 1 469.507 4.511 20 0 JJADMO CC(C)Cc1nnc(N2CCC(OC[C@H]3CCCCO3)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001359817505 1064500713 /nfs/dbraw/zinc/50/07/13/1064500713.db2.gz FYMFHCVXWZMTGW-ISKFKSNPSA-N 1 1 475.722 4.542 20 0 JJADMO CC(C)Cc1nnc(N2CCC(OC[C@@H]3CCCCO3)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001359817508 1064500790 /nfs/dbraw/zinc/50/07/90/1064500790.db2.gz FYMFHCVXWZMTGW-VWNXMTODSA-N 1 1 475.722 4.542 20 0 JJADMO Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC001435091367 1064508675 /nfs/dbraw/zinc/50/86/75/1064508675.db2.gz RTYUYMZAVJGOQB-SFHVURJKSA-N 1 1 452.986 4.847 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]32)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001359826727 1064508710 /nfs/dbraw/zinc/50/87/10/1064508710.db2.gz UCZDSJMSNBFGKH-NMVJMZGASA-N 1 1 496.700 4.696 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]32)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001359826727 1064508725 /nfs/dbraw/zinc/50/87/25/1064508725.db2.gz UCZDSJMSNBFGKH-NMVJMZGASA-N 1 1 496.700 4.696 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1CC[C@@](C)(O)c1ccccc1 ZINC001359832185 1064515542 /nfs/dbraw/zinc/51/55/42/1064515542.db2.gz GJSKWGGSAODGPX-VYKTZEHYSA-N 1 1 467.702 4.865 20 0 JJADMO COC(=O)CCCOc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)cc1 ZINC001435104146 1064515621 /nfs/dbraw/zinc/51/56/21/1064515621.db2.gz WKKGPGZUGKTOPY-IZZNHLLZSA-N 1 1 464.606 4.896 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001359832850 1064517210 /nfs/dbraw/zinc/51/72/10/1064517210.db2.gz POFUBGOJHYHGHJ-XZOQPEGZSA-N 1 1 490.737 4.824 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001359834527 1064520799 /nfs/dbraw/zinc/52/07/99/1064520799.db2.gz FUGBYKDNUSMMDS-DEOSSOPVSA-N 1 1 453.675 4.709 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001359835405 1064522488 /nfs/dbraw/zinc/52/24/88/1064522488.db2.gz WIGYGLPWXDWBHW-FYYLOGMGSA-N 1 1 480.632 4.579 20 0 JJADMO COc1cccc(CNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1OC1CCCC1 ZINC001435116318 1064524186 /nfs/dbraw/zinc/52/41/86/1064524186.db2.gz PDSOFIJSQBAQIX-WOJBJXKFSA-N 1 1 452.595 4.556 20 0 JJADMO CC(C)Cc1nnc(N2CCCC3(CCOCC3)C2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001359838536 1064525253 /nfs/dbraw/zinc/52/52/53/1064525253.db2.gz DFQIVZZBKKUQKU-HSZRJFAPSA-N 1 1 453.675 4.784 20 0 JJADMO CC(C)Cc1nnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001359851817 1064539129 /nfs/dbraw/zinc/53/91/29/1064539129.db2.gz FZUCVNUHZUPXFX-SFTDATJTSA-N 1 1 492.634 4.942 20 0 JJADMO CC(C)Cc1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359860685 1064550408 /nfs/dbraw/zinc/55/04/08/1064550408.db2.gz KZGQOPPAUTXNMK-QONNDPFASA-N 1 1 466.718 4.698 20 0 JJADMO CC(C)Cc1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1CCc1csc(C(C)C)n1 ZINC001359861070 1064551122 /nfs/dbraw/zinc/55/11/22/1064551122.db2.gz LZSJHOWLZIALNP-UHFFFAOYSA-N 1 1 470.662 4.761 20 0 JJADMO CC(C)Cc1nnc(N2CCN(Cc3cccc(Cl)c3)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001359861490 1064552076 /nfs/dbraw/zinc/55/20/76/1064552076.db2.gz XLGPXFAURIOUEY-HSZRJFAPSA-N 1 1 473.109 4.573 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(F)cc3)C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001359868012 1064559667 /nfs/dbraw/zinc/55/96/67/1064559667.db2.gz HAEHHHTWWMNGOY-XMMPIXPASA-N 1 1 457.638 4.848 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@@H](c3ccccc3F)C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001359868931 1064561078 /nfs/dbraw/zinc/56/10/78/1064561078.db2.gz PHEQVKQATNMPFY-XUZZJYLKSA-N 1 1 457.638 4.848 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001359869261 1064561665 /nfs/dbraw/zinc/56/16/65/1064561665.db2.gz VJAJYXKTKSADBU-FQEVSTJZSA-N 1 1 488.746 4.931 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@H](c3ccco3)C2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001359869191 1064561781 /nfs/dbraw/zinc/56/17/81/1064561781.db2.gz UFYXMNDQZAURHE-QPPBQGQZSA-N 1 1 451.615 4.558 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC001435168823 1064564904 /nfs/dbraw/zinc/56/49/04/1064564904.db2.gz CHPUOXQYGZBELW-ZFGGDYGUSA-N 1 1 475.555 4.828 20 0 JJADMO CC(C)Cc1nnc(Nc2cnn([C@H]3CC3(F)F)c2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001359877133 1064567320 /nfs/dbraw/zinc/56/73/20/1064567320.db2.gz MTIBBVSVBJHNIH-OALUTQOASA-N 1 1 463.964 4.953 20 0 JJADMO CC(C)C[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001359886440 1064581813 /nfs/dbraw/zinc/58/18/13/1064581813.db2.gz LXWLZAHUZKAFDT-YADHBBJMSA-N 1 1 486.730 4.510 20 0 JJADMO CC(C)C[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001359887823 1064584555 /nfs/dbraw/zinc/58/45/55/1064584555.db2.gz YKRMQILBKYNRAA-ODAXIHTASA-N 1 1 488.721 4.653 20 0 JJADMO CC(C)CC[C@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001359896194 1064598342 /nfs/dbraw/zinc/59/83/42/1064598342.db2.gz NWOFTOVGUUEVDR-OUTSHDOLSA-N 1 1 490.696 4.552 20 0 JJADMO CC(C)CCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001359901700 1064611450 /nfs/dbraw/zinc/61/14/50/1064611450.db2.gz AECFXBGEGXGYSH-UHFFFAOYSA-N 1 1 496.469 4.830 20 0 JJADMO CC(C)CCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001359901700 1064611462 /nfs/dbraw/zinc/61/14/62/1064611462.db2.gz AECFXBGEGXGYSH-UHFFFAOYSA-N 1 1 496.469 4.830 20 0 JJADMO CC(C)CCCn1c(-c2ccc(Br)cc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001359902282 1064614107 /nfs/dbraw/zinc/61/41/07/1064614107.db2.gz MLVFCFXESLTBNC-UHFFFAOYSA-N 1 1 478.479 4.691 20 0 JJADMO CC(C)CCCn1c(-c2ccc(Br)cc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001359902282 1064614113 /nfs/dbraw/zinc/61/41/13/1064614113.db2.gz MLVFCFXESLTBNC-UHFFFAOYSA-N 1 1 478.479 4.691 20 0 JJADMO C[C@@H](NC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435250779 1064627607 /nfs/dbraw/zinc/62/76/07/1064627607.db2.gz DAZFSYULOHSQQF-HXOBKFHXSA-N 1 1 458.480 4.985 20 0 JJADMO C[C@@H](NC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435250779 1064627610 /nfs/dbraw/zinc/62/76/10/1064627610.db2.gz DAZFSYULOHSQQF-HXOBKFHXSA-N 1 1 458.480 4.985 20 0 JJADMO C[N@H+]1CCC[C@H](CNC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)[C@H]1c1cccs1 ZINC001435260957 1064637562 /nfs/dbraw/zinc/63/75/62/1064637562.db2.gz LQUNHEKSWQXTSW-WBVHZDCISA-N 1 1 450.486 4.630 20 0 JJADMO CC(C)CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001359917724 1064640058 /nfs/dbraw/zinc/64/00/58/1064640058.db2.gz LWXGLNYZVJRLNW-QFIPXVFZSA-N 1 1 493.700 4.839 20 0 JJADMO CC(C)CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001359918590 1064641670 /nfs/dbraw/zinc/64/16/70/1064641670.db2.gz KZXVYVLNUWHKJT-QPPBQGQZSA-N 1 1 455.647 4.641 20 0 JJADMO CC(C)CCN(C)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359920774 1064644974 /nfs/dbraw/zinc/64/49/74/1064644974.db2.gz IZBJHZLKKOMRBW-KDURUIRLSA-N 1 1 463.617 4.517 20 0 JJADMO CC(C)CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)[N@@H+](C)C1CC1)C1CC1 ZINC001359923380 1064652137 /nfs/dbraw/zinc/65/21/37/1064652137.db2.gz IEQAAWUKMZMUGU-MRXNPFEDSA-N 1 1 463.468 4.544 20 0 JJADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC001435273825 1064652422 /nfs/dbraw/zinc/65/24/22/1064652422.db2.gz QEGKHRIJULEARY-IBGZPJMESA-N 1 1 454.412 4.844 20 0 JJADMO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001435285798 1064663234 /nfs/dbraw/zinc/66/32/34/1064663234.db2.gz YQTPSRMRXYVPPW-LGIRGXTLSA-N 1 1 465.041 4.653 20 0 JJADMO CC(C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001359933283 1064673832 /nfs/dbraw/zinc/67/38/32/1064673832.db2.gz FXCKNTAWDVHPAD-UHFFFAOYSA-N 1 1 459.082 4.639 20 0 JJADMO CC(C)CCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001359933765 1064676108 /nfs/dbraw/zinc/67/61/08/1064676108.db2.gz XKIMIJPPVUANJC-OXQOHEQNSA-N 1 1 496.881 4.564 20 0 JJADMO Cc1cc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2cc(Br)ccc2n1 ZINC001435303216 1064678463 /nfs/dbraw/zinc/67/84/63/1064678463.db2.gz IWQFJYTYWRZTKH-LJQANCHMSA-N 1 1 452.396 4.900 20 0 JJADMO COc1ccccc1O[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001435323338 1064696542 /nfs/dbraw/zinc/69/65/42/1064696542.db2.gz IBKYSRVILFXRKP-KSEOMHKRSA-N 1 1 450.604 4.556 20 0 JJADMO CC(C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001359948707 1064700700 /nfs/dbraw/zinc/70/07/00/1064700700.db2.gz ZNZMODISOYEJCZ-NRFANRHFSA-N 1 1 488.702 4.780 20 0 JJADMO Cc1c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cnn1-c1cccc(C(F)(F)F)c1 ZINC001435336662 1064707461 /nfs/dbraw/zinc/70/74/61/1064707461.db2.gz BLRKBNUKUJSSPL-GAJHUEQPSA-N 1 1 456.512 4.840 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CC[C@H](C)[C@@H](C)C3)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001359952143 1064713332 /nfs/dbraw/zinc/71/33/32/1064713332.db2.gz NVKVANRFTOYKIS-VABKMULXSA-N 1 1 469.674 4.573 20 0 JJADMO Cc1ccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC001435348191 1064715114 /nfs/dbraw/zinc/71/51/14/1064715114.db2.gz ZADCIMITIMADQN-JOCHJYFZSA-N 1 1 451.636 4.720 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC001359952452 1064715245 /nfs/dbraw/zinc/71/52/45/1064715245.db2.gz WLPSQFJZRXLRAM-IFMALSPDSA-N 1 1 491.627 4.572 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[N@H+]2CCC[C@@H]2C)cc1 ZINC001359955056 1064722663 /nfs/dbraw/zinc/72/26/63/1064722663.db2.gz PRUVHRVUVJFEAQ-SIKLNZKXSA-N 1 1 495.590 4.622 20 0 JJADMO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccc2nc(C(F)(F)F)cn2c1 ZINC001359956976 1064725083 /nfs/dbraw/zinc/72/50/83/1064725083.db2.gz FMWUWWKRICQLIO-GOSISDBHSA-N 1 1 450.892 4.791 20 0 JJADMO O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccc2nc(C(F)(F)F)cn2c1 ZINC001359956976 1064725097 /nfs/dbraw/zinc/72/50/97/1064725097.db2.gz FMWUWWKRICQLIO-GOSISDBHSA-N 1 1 450.892 4.791 20 0 JJADMO Cc1c(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)cnn1-c1ccc(F)cc1F ZINC001359957174 1064725576 /nfs/dbraw/zinc/72/55/76/1064725576.db2.gz LIYJOWHTLVFJPQ-FQEVSTJZSA-N 1 1 458.940 4.897 20 0 JJADMO Cc1c(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)cnn1-c1ccc(F)cc1F ZINC001359957174 1064725589 /nfs/dbraw/zinc/72/55/89/1064725589.db2.gz LIYJOWHTLVFJPQ-FQEVSTJZSA-N 1 1 458.940 4.897 20 0 JJADMO CC(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)[C@@H](C)NC(=O)OC(C)(C)C ZINC001435364841 1064725657 /nfs/dbraw/zinc/72/56/57/1064725657.db2.gz UXCKDZOQPWMABA-ZYVVXELTSA-N 1 1 457.659 4.687 20 0 JJADMO CC(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)[C@@H](C)NC(=O)OC(C)(C)C ZINC001435364835 1064725775 /nfs/dbraw/zinc/72/57/75/1064725775.db2.gz UXCKDZOQPWMABA-MRCUYLHHSA-N 1 1 457.659 4.687 20 0 JJADMO CC(C)CCOC1CCN(c2nnc([C@H]3CCCCO3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001359958109 1064726775 /nfs/dbraw/zinc/72/67/75/1064726775.db2.gz MOYKDFBXECHIAZ-GIFXNVAJSA-N 1 1 475.722 4.919 20 0 JJADMO CC(C)CCOCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001359958967 1064730374 /nfs/dbraw/zinc/73/03/74/1064730374.db2.gz MPYNNQFIJQFYBB-UHFFFAOYSA-N 1 1 464.658 4.867 20 0 JJADMO C[C@H]1C[C@H](NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)CC[N@H+]1Cc1ccccc1 ZINC001435379293 1064730505 /nfs/dbraw/zinc/73/05/05/1064730505.db2.gz LHODLAYAFLXZDQ-DOTOQJQBSA-N 1 1 459.928 4.641 20 0 JJADMO C[C@@H]1C[C@@H](NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)CC[N@H+]1Cc1ccccc1 ZINC001435379296 1064730824 /nfs/dbraw/zinc/73/08/24/1064730824.db2.gz LHODLAYAFLXZDQ-WBVHZDCISA-N 1 1 459.928 4.641 20 0 JJADMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC001435386908 1064734401 /nfs/dbraw/zinc/73/44/01/1064734401.db2.gz OGWNCNAVNWMXFJ-DYESRHJHSA-N 1 1 456.512 4.982 20 0 JJADMO CC(C)CCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001359964799 1064739977 /nfs/dbraw/zinc/73/99/77/1064739977.db2.gz GWALBWXOOVWLCR-UHFFFAOYSA-N 1 1 466.674 4.810 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1cc(C(F)(F)F)cc2c1OCC(=O)N2 ZINC001435411285 1064744280 /nfs/dbraw/zinc/74/42/80/1064744280.db2.gz NEZFASRUFCADML-IEBWSBKVSA-N 1 1 475.511 4.769 20 0 JJADMO C[C@@H](c1ccc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)cc1)[NH+]1CCOCC1 ZINC001359968726 1064745016 /nfs/dbraw/zinc/74/50/16/1064745016.db2.gz GKGMQZWXUQXQIA-KRWDZBQOSA-N 1 1 456.011 4.962 20 0 JJADMO CC(C)CCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001359970063 1064746131 /nfs/dbraw/zinc/74/61/31/1064746131.db2.gz FISBXKKAWBTISW-DHIUTWEWSA-N 1 1 489.730 4.643 20 0 JJADMO Cc1cc(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)nn1-c1ccc(Br)cc1 ZINC001435421797 1064749764 /nfs/dbraw/zinc/74/97/64/1064749764.db2.gz GYBHYFVNLRKHTO-QGZVFWFLSA-N 1 1 455.400 4.584 20 0 JJADMO CC(C)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001359982614 1064758129 /nfs/dbraw/zinc/75/81/29/1064758129.db2.gz HGAQQHAOPAYAJK-UBFVSLLYSA-N 1 1 467.702 4.854 20 0 JJADMO CC(C)CN(c1nnc(-c2ccc(Cl)cc2F)n1CCC[NH+]1CCOCC1)C1CCCC1 ZINC001359984697 1064762580 /nfs/dbraw/zinc/76/25/80/1064762580.db2.gz CIWQQTAQWLFKAC-UHFFFAOYSA-N 1 1 464.029 4.865 20 0 JJADMO CC(C)CN(c1nnc(-c2ccc(Cl)nc2)n1CCC[N@H+]1CCCO[C@H](C)C1)C1CCCC1 ZINC001359985132 1064763387 /nfs/dbraw/zinc/76/33/87/1064763387.db2.gz HDZZZCYLNRZHLG-HXUWFJFHSA-N 1 1 475.081 4.899 20 0 JJADMO CC[C@@H](NC(=O)c1cc2ccccc2n1CC(F)(F)F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435455649 1064767445 /nfs/dbraw/zinc/76/74/45/1064767445.db2.gz KDMJWGUVRDLGSF-NFBKMPQASA-N 1 1 459.512 4.613 20 0 JJADMO CC[C@@H](NC(=O)c1cc2ccccc2n1CC(F)(F)F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435455649 1064767460 /nfs/dbraw/zinc/76/74/60/1064767460.db2.gz KDMJWGUVRDLGSF-NFBKMPQASA-N 1 1 459.512 4.613 20 0 JJADMO CC[C@@H](NC(=O)C1(c2ccc(C)c(OC)c2)CCCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435457057 1064767937 /nfs/dbraw/zinc/76/79/37/1064767937.db2.gz WBFZEFHDORFBKO-RSXGOPAZSA-N 1 1 450.623 4.611 20 0 JJADMO CC[C@@H](NC(=O)C1(c2ccc(C)c(OC)c2)CCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435457057 1064767945 /nfs/dbraw/zinc/76/79/45/1064767945.db2.gz WBFZEFHDORFBKO-RSXGOPAZSA-N 1 1 450.623 4.611 20 0 JJADMO COc1ccc(Cl)c(-c2cc(C(=O)N[C@H]3[C@H](C)C[N@H+](Cc4ccccc4)C[C@@H]3C)on2)c1 ZINC001435462148 1064771874 /nfs/dbraw/zinc/77/18/74/1064771874.db2.gz UGAVMPVVSWGXTJ-CZKAHXPPSA-N 1 1 453.970 4.890 20 0 JJADMO CC(C)CN(c1nnc(Cc2cn3ccccc3n2)n1CC[N@H+]1CCCC(C)(C)C1)C(C)C ZINC001359992060 1064774343 /nfs/dbraw/zinc/77/43/43/1064774343.db2.gz LNZUNVBETHDAKP-UHFFFAOYSA-N 1 1 451.663 4.509 20 0 JJADMO CC(C)CN(c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1)C(C)C ZINC001359993033 1064775937 /nfs/dbraw/zinc/77/59/37/1064775937.db2.gz KIWXRWSGMAUYMR-FQEVSTJZSA-N 1 1 474.719 4.651 20 0 JJADMO Cc1cc[nH+]c(N2CCN(C(=O)c3sc4cc(Br)ccc4c3Cl)CC2)c1 ZINC001435471572 1064777022 /nfs/dbraw/zinc/77/70/22/1064777022.db2.gz ZIHYZMYLPHDBLV-UHFFFAOYSA-N 1 1 450.789 4.983 20 0 JJADMO CC(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001359995126 1064779555 /nfs/dbraw/zinc/77/95/55/1064779555.db2.gz WPHISYFBAXCKNL-UHFFFAOYSA-N 1 1 475.410 4.543 20 0 JJADMO CC(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001359997488 1064782686 /nfs/dbraw/zinc/78/26/86/1064782686.db2.gz DRAMQASZYDCPKN-INIZCTEOSA-N 1 1 452.430 4.597 20 0 JJADMO CC(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001360001306 1064786862 /nfs/dbraw/zinc/78/68/62/1064786862.db2.gz IWQSCXHNCDYYJB-XMMPIXPASA-N 1 1 496.700 4.761 20 0 JJADMO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360003440 1064789569 /nfs/dbraw/zinc/78/95/69/1064789569.db2.gz XXXORONFVCTUNY-IIBYNOLFSA-N 1 1 456.011 4.850 20 0 JJADMO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360003440 1064789582 /nfs/dbraw/zinc/78/95/82/1064789582.db2.gz XXXORONFVCTUNY-IIBYNOLFSA-N 1 1 456.011 4.850 20 0 JJADMO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360003442 1064789681 /nfs/dbraw/zinc/78/96/81/1064789681.db2.gz XXXORONFVCTUNY-KKSFZXQISA-N 1 1 456.011 4.850 20 0 JJADMO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360003442 1064789688 /nfs/dbraw/zinc/78/96/88/1064789688.db2.gz XXXORONFVCTUNY-KKSFZXQISA-N 1 1 456.011 4.850 20 0 JJADMO CC(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001360004576 1064791205 /nfs/dbraw/zinc/79/12/05/1064791205.db2.gz PNHGSFZCORUGOK-UHFFFAOYSA-N 1 1 490.471 4.659 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)cc3)nnc2N(C)C[C@@H]2CCCCO2)C1 ZINC001360007188 1064794023 /nfs/dbraw/zinc/79/40/23/1064794023.db2.gz AACNHUUCKSQKCR-REWPJTCUSA-N 1 1 460.066 4.972 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(C(C)C)nnc2N(C)Cc2cnn(Cc3ccccc3)c2)C1 ZINC001360007688 1064795181 /nfs/dbraw/zinc/79/51/81/1064795181.db2.gz GDNBSOMOHXALGY-DEOSSOPVSA-N 1 1 463.674 4.651 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)CC(F)(F)F)C1 ZINC001360008216 1064796563 /nfs/dbraw/zinc/79/65/63/1064796563.db2.gz NCVYEAJIQVGUMM-ZWKOTPCHSA-N 1 1 471.543 4.924 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(C(C)C)nnc2N2CCC(OCCc3ccccc3)CC2)C1 ZINC001360008264 1064796652 /nfs/dbraw/zinc/79/66/52/1064796652.db2.gz NTHLQRMMEKXHPA-VWLOTQADSA-N 1 1 467.702 4.998 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2C[C@H](C)OC(C)(C)C2)C1 ZINC001360008295 1064797306 /nfs/dbraw/zinc/79/73/06/1064797306.db2.gz OYFOYBJPTMOEKD-BDTNDASRSA-N 1 1 487.664 4.929 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2C[C@@H](C)OC(C)(C)C2)C1 ZINC001360008298 1064797539 /nfs/dbraw/zinc/79/75/39/1064797539.db2.gz OYFOYBJPTMOEKD-VSKRKVRLSA-N 1 1 487.664 4.929 20 0 JJADMO 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CC(C)CSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001360081086 1064940159 /nfs/dbraw/zinc/94/01/59/1064940159.db2.gz ZWLGSLJEYUNGCT-ZJSXRUAMSA-N 1 1 485.742 4.789 20 0 JJADMO C[C@@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001435702228 1064947321 /nfs/dbraw/zinc/94/73/21/1064947321.db2.gz IYPUBNNCAIECOL-VQIMIIECSA-N 1 1 456.999 4.509 20 0 JJADMO C[C@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001435705800 1064948385 /nfs/dbraw/zinc/94/83/85/1064948385.db2.gz QVCBXQQJLCUQBK-TUACAJSNSA-N 1 1 451.611 4.669 20 0 JJADMO C[C@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001435705802 1064948607 /nfs/dbraw/zinc/94/86/07/1064948607.db2.gz QVCBXQQJLCUQBK-ZTCOLXNVSA-N 1 1 451.611 4.669 20 0 JJADMO C[N@@H+](CCc1cccc(NC(=O)c2ccc(I)c(Cl)c2)c1)C1CC1 ZINC001435717188 1064952878 /nfs/dbraw/zinc/95/28/78/1064952878.db2.gz FOCURNLUUPWCJM-UHFFFAOYSA-N 1 1 454.739 4.834 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001360092251 1064959951 /nfs/dbraw/zinc/95/99/51/1064959951.db2.gz YMRQUHLXCLUKTN-UHFFFAOYSA-N 1 1 464.658 4.946 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001360092319 1064960490 /nfs/dbraw/zinc/96/04/90/1064960490.db2.gz ASLCPJRCNGJFPW-JOCHJYFZSA-N 1 1 479.591 4.839 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2CCc2ccccc2OC(F)F)CC1 ZINC001360092350 1064960694 /nfs/dbraw/zinc/96/06/94/1064960694.db2.gz BUKGYLFSBMDOQI-UHFFFAOYSA-N 1 1 463.617 4.976 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cc4ccccc4o3)n2C[C@@](C)(O)C(C)C)CC1 ZINC001360092331 1064960839 /nfs/dbraw/zinc/96/08/39/1064960839.db2.gz BFJKZEBGXWKYJC-AREMUKBSSA-N 1 1 453.631 4.655 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(CC2CCCC2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001360092433 1064961460 /nfs/dbraw/zinc/96/14/60/1064961460.db2.gz FWTLAVSMHOAJHD-UHFFFAOYSA-N 1 1 483.701 4.735 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2CCOCC2)CC1 ZINC001360092584 1064961858 /nfs/dbraw/zinc/96/18/58/1064961858.db2.gz KSTMAHQPAHTELN-UHFFFAOYSA-N 1 1 490.490 4.691 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC(C)(C)O)CC1 ZINC001360092627 1064962978 /nfs/dbraw/zinc/96/29/78/1064962978.db2.gz MOSZIPZWLLMBFE-UHFFFAOYSA-N 1 1 496.469 4.564 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cccs1 ZINC001360092885 1064964590 /nfs/dbraw/zinc/96/45/90/1064964590.db2.gz WFCOMLHNXPGXMX-JOCHJYFZSA-N 1 1 453.656 4.759 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N(C)CC1CC(F)(F)C1 ZINC001360092968 1064965270 /nfs/dbraw/zinc/96/52/70/1064965270.db2.gz ZHCPIEWWLHZXCS-QFIPXVFZSA-N 1 1 461.601 4.890 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)c2cccc(F)c2)CC1 ZINC001360095216 1064968634 /nfs/dbraw/zinc/96/86/34/1064968634.db2.gz ANNVKWPEQCFHNP-UHFFFAOYSA-N 1 1 478.660 4.937 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(Cl)nc2)CC1 ZINC001360095321 1064969414 /nfs/dbraw/zinc/96/94/14/1064969414.db2.gz FOACCFAONMZUOG-UHFFFAOYSA-N 1 1 487.023 4.650 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@@]2(O)CCCC2(C)C)CC1 ZINC001360095637 1064969906 /nfs/dbraw/zinc/96/99/06/1064969906.db2.gz MGXHFZOWOCQSTD-LJAQVGFWSA-N 1 1 481.729 4.951 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001360096022 1064971637 /nfs/dbraw/zinc/97/16/37/1064971637.db2.gz VEZIVSZXXOJXTA-OAQYLSRUSA-N 1 1 481.563 4.633 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCc1nccs1 ZINC001360097248 1064973335 /nfs/dbraw/zinc/97/33/35/1064973335.db2.gz ASMHMUNXMXBNBR-UHFFFAOYSA-N 1 1 451.015 4.603 20 0 JJADMO C[N@@H+]1CC[C@H](CNC(=O)c2cn3cc(Cl)cc(Cl)c3n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435749977 1064974188 /nfs/dbraw/zinc/97/41/88/1064974188.db2.gz PKWJYLJYTNBIDJ-KZULUSFZSA-N 1 1 455.748 4.856 20 0 JJADMO C[N@H+]1CC[C@H](CNC(=O)c2cn3cc(Cl)cc(Cl)c3n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435749977 1064974202 /nfs/dbraw/zinc/97/42/02/1064974202.db2.gz PKWJYLJYTNBIDJ-KZULUSFZSA-N 1 1 455.748 4.856 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCOC[C@@H](C2CCC2)C1 ZINC001360097502 1064974862 /nfs/dbraw/zinc/97/48/62/1064974862.db2.gz JJDDAODJPSVWTB-NRFANRHFSA-N 1 1 477.600 4.530 20 0 JJADMO CC(C)c1c(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cnn1-c1ccccn1 ZINC001435751873 1064976135 /nfs/dbraw/zinc/97/61/35/1064976135.db2.gz ZTEOMFXGVVKNKI-UZUQRXQVSA-N 1 1 455.965 4.606 20 0 JJADMO CC(C)c1c(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cnn1-c1ccccn1 ZINC001435751873 1064976149 /nfs/dbraw/zinc/97/61/49/1064976149.db2.gz ZTEOMFXGVVKNKI-UZUQRXQVSA-N 1 1 455.965 4.606 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Br)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1 ZINC001360097692 1064976330 /nfs/dbraw/zinc/97/63/30/1064976330.db2.gz QEGYLINGCPBFDK-NRFANRHFSA-N 1 1 490.490 4.691 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 ZINC001360097964 1064977206 /nfs/dbraw/zinc/97/72/06/1064977206.db2.gz WNYRVWDUHUDHIS-GOTSBHOMSA-N 1 1 453.675 4.836 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2c[nH]c3ccccc32)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001360099941 1064979219 /nfs/dbraw/zinc/97/92/19/1064979219.db2.gz DWGDYMIOHAEPHU-FQEVSTJZSA-N 1 1 495.672 4.602 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)s1 ZINC001360100967 1064980682 /nfs/dbraw/zinc/98/06/82/1064980682.db2.gz ZXEQUYPTXADKTB-QGZVFWFLSA-N 1 1 470.481 4.710 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001360101668 1064981719 /nfs/dbraw/zinc/98/17/19/1064981719.db2.gz WTKLSROWYFMZDY-QFIPXVFZSA-N 1 1 466.674 4.864 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)nnc1C(C)(C)C ZINC001360103600 1064984111 /nfs/dbraw/zinc/98/41/11/1064984111.db2.gz RFOGFPFSJRPWPD-HXUWFJFHSA-N 1 1 452.018 4.676 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCSC[C@@H]1C ZINC001360103769 1064984336 /nfs/dbraw/zinc/98/43/36/1064984336.db2.gz XHTFFXKPFLPSIJ-KRWDZBQOSA-N 1 1 454.109 4.896 20 0 JJADMO Cc1cc(OCC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)ccc1Br ZINC001435775802 1064987523 /nfs/dbraw/zinc/98/75/23/1064987523.db2.gz OPDKPOXCYMNBKM-UHFFFAOYSA-N 1 1 457.412 4.651 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001360106435 1064987873 /nfs/dbraw/zinc/98/78/73/1064987873.db2.gz COWRKUUBCYUVRN-IYBDPMFKSA-N 1 1 470.406 4.775 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H]2OCCC[C@H]2C1 ZINC001360106944 1064988705 /nfs/dbraw/zinc/98/87/05/1064988705.db2.gz XBNTVDQVDMBUTQ-OXJNMPFZSA-N 1 1 452.430 4.597 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCOC2(CCCCC2)C1 ZINC001360106789 1064988946 /nfs/dbraw/zinc/98/89/46/1064988946.db2.gz RCDCITNCMAEZTA-UHFFFAOYSA-N 1 1 450.002 4.617 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H]2OCCC[C@@H]2C1 ZINC001360106945 1064989033 /nfs/dbraw/zinc/98/90/33/1064989033.db2.gz XBNTVDQVDMBUTQ-OXQOHEQNSA-N 1 1 452.430 4.597 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H]1C1CCC1 ZINC001360109476 1064990817 /nfs/dbraw/zinc/99/08/17/1064990817.db2.gz FYKYVBYFFLJHKF-QFIPXVFZSA-N 1 1 474.694 4.502 20 0 JJADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC1CC1)C1CCC1 ZINC001360109503 1064990897 /nfs/dbraw/zinc/99/08/97/1064990897.db2.gz GNROSTJCXXIOFH-NRFANRHFSA-N 1 1 474.694 4.502 20 0 JJADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)c1cccs1 ZINC001360111145 1064992295 /nfs/dbraw/zinc/99/22/95/1064992295.db2.gz ZSBPSTRCBNGBBL-PMACEKPBSA-N 1 1 490.718 4.992 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(CCCc2ccccc2)nnc1N1CCOC2(C1)CCCCCC2 ZINC001360112454 1064994170 /nfs/dbraw/zinc/99/41/70/1064994170.db2.gz DQTLHQMIALXBQZ-UHFFFAOYSA-N 1 1 453.675 4.723 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCSC(C)(C)C1 ZINC001360113197 1064994944 /nfs/dbraw/zinc/99/49/44/1064994944.db2.gz RSUQKWOQONBNPD-UHFFFAOYSA-N 1 1 472.486 4.836 20 0 JJADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 ZINC001360113903 1064996424 /nfs/dbraw/zinc/99/64/24/1064996424.db2.gz SCYXQQDKGQHFHX-UBFVSLLYSA-N 1 1 483.701 4.723 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 ZINC001360113851 1064996508 /nfs/dbraw/zinc/99/65/08/1064996508.db2.gz QMJUTEJVCQHPIK-UHFFFAOYSA-N 1 1 494.105 4.686 20 0 JJADMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccc[nH]3)cc2)C[C@H](C)O1 ZINC001435798915 1064996502 /nfs/dbraw/zinc/99/65/02/1064996502.db2.gz OMFQMUNPZQQTFX-IRXDYDNUSA-N 1 1 451.954 4.761 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1ccccc1Br ZINC001360114139 1064997267 /nfs/dbraw/zinc/99/72/67/1064997267.db2.gz XIJZMBSZMJANAH-UHFFFAOYSA-N 1 1 472.435 4.788 20 0 JJADMO CCN(C(=O)CSc1nc(C)nc2sc(C)c(C)c21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001435806851 1065002116 /nfs/dbraw/zinc/00/21/16/1065002116.db2.gz GWWURQXMJXYNLR-FQEVSTJZSA-N 1 1 454.665 4.832 20 0 JJADMO CC(C)N(Cc1cccs1)c1nnc(CCc2ccccc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001360122993 1065012760 /nfs/dbraw/zinc/01/27/60/1065012760.db2.gz AZNBNIOXCATBBU-UHFFFAOYSA-N 1 1 467.683 4.651 20 0 JJADMO CC(C)[NH+](CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2CCCC[C@@H]2C1)C(C)C ZINC001360126390 1065020429 /nfs/dbraw/zinc/02/04/29/1065020429.db2.gz PSJVVYWBFFZPKL-XMMPIXPASA-N 1 1 473.109 4.706 20 0 JJADMO C[C@H](NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001435851097 1065022905 /nfs/dbraw/zinc/02/29/05/1065022905.db2.gz FRVTWKFCYZTPMC-LSDHHAIUSA-N 1 1 452.382 4.943 20 0 JJADMO C[C@H](NC(=O)c1cc(Br)c(C(F)(F)F)cc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001435851356 1065023655 /nfs/dbraw/zinc/02/36/55/1065023655.db2.gz IMGIAMSDBCAWFT-RYUDHWBXSA-N 1 1 451.302 4.990 20 0 JJADMO CCCOc1c(Br)cc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC001435853882 1065025445 /nfs/dbraw/zinc/02/54/45/1065025445.db2.gz XQCKJAMABSBIQJ-HZPDHXFCSA-N 1 1 453.421 4.629 20 0 JJADMO Cc1cc(Br)c(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1Br ZINC001435854272 1065025470 /nfs/dbraw/zinc/02/54/70/1065025470.db2.gz ZRJFMXVOAHRHCW-KBPBESRZSA-N 1 1 458.238 4.903 20 0 JJADMO CCCOc1c(Br)cc(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC001435853881 1065025563 /nfs/dbraw/zinc/02/55/63/1065025563.db2.gz XQCKJAMABSBIQJ-HOTGVXAUSA-N 1 1 453.421 4.629 20 0 JJADMO CN(C(=O)CCCOc1cccc2ccccc21)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001435865655 1065033091 /nfs/dbraw/zinc/03/30/91/1065033091.db2.gz NVQPXGOPUIOYPV-UIOOFZCWSA-N 1 1 451.655 4.794 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)C1 ZINC001360139426 1065036434 /nfs/dbraw/zinc/03/64/34/1065036434.db2.gz QZLVSPJOVFEOFN-KSZLIROESA-N 1 1 467.008 4.841 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)c2ccccc2F)C1 ZINC001360140718 1065039036 /nfs/dbraw/zinc/03/90/36/1065039036.db2.gz JEVYVUJOTJILGO-UNMCSNQZSA-N 1 1 450.606 4.721 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cccc(OC(F)F)c2)C1 ZINC001360141555 1065040395 /nfs/dbraw/zinc/04/03/95/1065040395.db2.gz QJKWQBPMKPBRQS-NHCUHLMSSA-N 1 1 477.600 4.530 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)C[C@H]2CCCOC2)C1 ZINC001360142189 1065041712 /nfs/dbraw/zinc/04/17/12/1065041712.db2.gz UXPOFYACCWMFBV-FCHUYYIVSA-N 1 1 460.066 4.506 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc(Br)s2)C1 ZINC001360142244 1065042445 /nfs/dbraw/zinc/04/24/45/1065042445.db2.gz VYRDSSWDVCBNLH-SJLPKXTDSA-N 1 1 482.492 4.710 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Br)s3)n2CC2CC(F)(F)C2)CC1 ZINC001360143589 1065044707 /nfs/dbraw/zinc/04/47/07/1065044707.db2.gz IYFIFRVLEZQTAJ-UHFFFAOYSA-N 1 1 474.419 4.735 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCSC2)CC1 ZINC001360144300 1065046125 /nfs/dbraw/zinc/04/61/25/1065046125.db2.gz YUARWAJUCLXVKN-MRXNPFEDSA-N 1 1 482.467 4.520 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](F)c2ccc(Br)cc2)CC1 ZINC001360145900 1065047807 /nfs/dbraw/zinc/04/78/07/1065047807.db2.gz AIUIGKRUDCIMMB-TZIWHRDSSA-N 1 1 494.453 4.566 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(CC(C)(C)C)n2Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC001360146288 1065047981 /nfs/dbraw/zinc/04/79/81/1065047981.db2.gz HZTDCIFXKPBJGD-UHFFFAOYSA-N 1 1 478.472 4.790 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(C3CCCC3)n2Cc2cc(Br)cs2)CC1 ZINC001360146771 1065048417 /nfs/dbraw/zinc/04/84/17/1065048417.db2.gz WDGCVDHUERWBTA-UHFFFAOYSA-N 1 1 452.466 4.729 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(Cl)s2)CC1 ZINC001360147261 1065049162 /nfs/dbraw/zinc/04/91/62/1065049162.db2.gz OMIZIZBQCVGRPU-UHFFFAOYSA-N 1 1 464.010 4.680 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H]2CCCOC2)CC1 ZINC001360146930 1065049387 /nfs/dbraw/zinc/04/93/87/1065049387.db2.gz ALKWAMUKZVCEGJ-GOSISDBHSA-N 1 1 482.456 4.511 20 0 JJADMO CC(C)N1CCN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001360149473 1065053068 /nfs/dbraw/zinc/05/30/68/1065053068.db2.gz PXZHFYFUSAXXRM-UHFFFAOYSA-N 1 1 489.506 4.503 20 0 JJADMO CCc1c(NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)nnn1Cc1ccc(F)cc1 ZINC001435901175 1065053278 /nfs/dbraw/zinc/05/32/78/1065053278.db2.gz JMKRZMXBIASHPC-UHFFFAOYSA-N 1 1 457.553 4.912 20 0 JJADMO CCOCCC[N@H+]1CC[C@H](NC(=O)C2(c3cccc(Br)c3)CCCC2)[C@@H](C)C1 ZINC001360150464 1065054514 /nfs/dbraw/zinc/05/45/14/1065054514.db2.gz CPGFMFYLUZFIIS-RXVVDRJESA-N 1 1 451.449 4.514 20 0 JJADMO CC(C)N1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001360153531 1065056113 /nfs/dbraw/zinc/05/61/13/1065056113.db2.gz YKDLVCKLPSAWLI-UHFFFAOYSA-N 1 1 491.149 4.876 20 0 JJADMO CC(C)N1CC[NH+](C2CCN(c3nnc(C(C)(C)C)n3[C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)CC1 ZINC001360156172 1065057865 /nfs/dbraw/zinc/05/78/65/1065057865.db2.gz SSLJGLLPKPCANQ-TZIWHRDSSA-N 1 1 484.655 4.864 20 0 JJADMO Cc1ccc(SC2CCCC2)c(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC001360313992 1065149304 /nfs/dbraw/zinc/14/93/04/1065149304.db2.gz YEKAMVVLEGPVRM-HXUWFJFHSA-N 1 1 451.636 4.979 20 0 JJADMO CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)c3ccccc3)n2CC[N@H+]2CCCC(C)(C)C2)CCOC1 ZINC001360320411 1065157232 /nfs/dbraw/zinc/15/72/32/1065157232.db2.gz XLDIIWSBWYEQPV-CUNXSJBXSA-N 1 1 469.674 4.638 20 0 JJADMO CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(Cl)c(F)c3)n2CC[N@@H+](C)C2CCCC2)CCOC1 ZINC001360324349 1065163680 /nfs/dbraw/zinc/16/36/80/1065163680.db2.gz OBQNIVZBSNBFDT-RUZDIDTESA-N 1 1 494.055 4.622 20 0 JJADMO CC(C)O[C@@]1(c2nnc(N(C)Cc3ccccc3Cl)n2CC[N@@H+](C)C2CCCCC2)CCOC1 ZINC001360325148 1065166326 /nfs/dbraw/zinc/16/63/26/1065166326.db2.gz YZARVXUDWQHVAT-SANMLTNESA-N 1 1 490.092 4.873 20 0 JJADMO CC(C)O[C@@]1(c2nnc(N3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)n2CCC(C)(F)F)CCOC1 ZINC001360338288 1065186967 /nfs/dbraw/zinc/18/69/67/1065186967.db2.gz ATKGQNWKPWGJFG-LVXARBLLSA-N 1 1 497.675 4.845 20 0 JJADMO CC(C)Oc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC001360357839 1065209320 /nfs/dbraw/zinc/20/93/20/1065209320.db2.gz OLEAATBXHALGMX-JOCHJYFZSA-N 1 1 476.669 4.808 20 0 JJADMO CC(C)OC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001360364149 1065221045 /nfs/dbraw/zinc/22/10/45/1065221045.db2.gz JWUUZKXPHGFMDT-IBGZPJMESA-N 1 1 461.054 4.652 20 0 JJADMO CC(C)OCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001360376483 1065235014 /nfs/dbraw/zinc/23/50/14/1065235014.db2.gz FGOXEJYKXXTZIN-OAQYLSRUSA-N 1 1 476.463 4.587 20 0 JJADMO CCC[N@@H+](C)[C@@H](CNC(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC001436197538 1065244594 /nfs/dbraw/zinc/24/45/94/1065244594.db2.gz JPAPDTDVNQZQLZ-VXKWHMMOSA-N 1 1 450.410 4.760 20 0 JJADMO CC(C)OCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001360386120 1065250119 /nfs/dbraw/zinc/25/01/19/1065250119.db2.gz QXBHFSKXNJMORG-OYRHEFFESA-N 1 1 490.092 4.739 20 0 JJADMO C/C(=C\C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001360387224 1065251632 /nfs/dbraw/zinc/25/16/32/1065251632.db2.gz DATARZNEMVHLCK-XEPMYJLFSA-N 1 1 459.512 4.914 20 0 JJADMO O=C(CSCc1ccc(Br)cc1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001436209694 1065252521 /nfs/dbraw/zinc/25/25/21/1065252521.db2.gz OKHJDGDRUGOXEH-QHCPKHFHSA-N 1 1 459.453 4.807 20 0 JJADMO CN(C(=O)c1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001360388414 1065253074 /nfs/dbraw/zinc/25/30/74/1065253074.db2.gz TZVVLNBSJDRZDX-AREMUKBSSA-N 1 1 455.602 4.890 20 0 JJADMO CC(C)OCCCn1c(Cc2ccsc2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001360393713 1065257033 /nfs/dbraw/zinc/25/70/33/1065257033.db2.gz VYFCZKQWASQVIP-LJQANCHMSA-N 1 1 459.685 4.690 20 0 JJADMO CC(C)OCCn1c(Cc2ccsc2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001360406799 1065269305 /nfs/dbraw/zinc/26/93/05/1065269305.db2.gz XDPXQYPPMDDLTC-QPPBQGQZSA-N 1 1 467.683 4.845 20 0 JJADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(C)CCCC2)CC1 ZINC001360413135 1065275739 /nfs/dbraw/zinc/27/57/39/1065275739.db2.gz NLVWIIIJIONYHB-UHFFFAOYSA-N 1 1 460.066 4.650 20 0 JJADMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1cc(-c2ccc(Br)cc2)ns1 ZINC001360412147 1065275795 /nfs/dbraw/zinc/27/57/95/1065275795.db2.gz MTNKWHGKOOFQPR-LJQANCHMSA-N 1 1 456.409 4.967 20 0 JJADMO Cc1ccc(CCCC(=O)Nc2cc(Br)ccc2N2CC[N@H+](C)C[C@H]2C)s1 ZINC001436257203 1065277431 /nfs/dbraw/zinc/27/74/31/1065277431.db2.gz OQOOCWNKBYPMDP-OAHLLOKOSA-N 1 1 450.446 4.921 20 0 JJADMO C[C@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cc(Cl)cc(Cl)n1 ZINC001436259704 1065278605 /nfs/dbraw/zinc/27/86/05/1065278605.db2.gz WSBOWIMOWCHWGZ-NSHDSACASA-N 1 1 458.187 4.544 20 0 JJADMO Cc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)cc1NC(=O)c1ccccc1F ZINC001436281613 1065286448 /nfs/dbraw/zinc/28/64/48/1065286448.db2.gz VBZNJYMVIXSHAM-FQEVSTJZSA-N 1 1 459.565 4.981 20 0 JJADMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3cnn(-c4cccc(C(F)(F)F)c4)c3)cc2)C[C@H](C)O1 ZINC001360423488 1065291466 /nfs/dbraw/zinc/29/14/66/1065291466.db2.gz WYFZPASUHJRZFD-IRXDYDNUSA-N 1 1 458.484 4.753 20 0 JJADMO C[C@H](c1cc(F)ccc1F)N(C)c1nnc(CC2CCCC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001360428119 1065299532 /nfs/dbraw/zinc/29/95/32/1065299532.db2.gz CQVSGIWAWPASHC-GOSISDBHSA-N 1 1 461.601 4.597 20 0 JJADMO C[C@H](c1cc(F)ccc1F)N(C)c1nnc(CC2CCCC2)n1CC[N@H+]1CCOCC1(C)C ZINC001360428119 1065299543 /nfs/dbraw/zinc/29/95/43/1065299543.db2.gz CQVSGIWAWPASHC-GOSISDBHSA-N 1 1 461.601 4.597 20 0 JJADMO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(CC(C)(C)C)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001360428645 1065301345 /nfs/dbraw/zinc/30/13/45/1065301345.db2.gz NMUKIMJNYSBFON-AZUAARDMSA-N 1 1 463.617 4.579 20 0 JJADMO C[C@H](c1cc(F)ccc1F)N(C)c1nnc(Cc2cccnc2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360428678 1065301477 /nfs/dbraw/zinc/30/14/77/1065301477.db2.gz NXLFLKFKGCCBQA-LJQANCHMSA-N 1 1 468.596 4.862 20 0 JJADMO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(Cc2ccsc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001360429671 1065304830 /nfs/dbraw/zinc/30/48/30/1065304830.db2.gz XFNJLVDYZJOXPY-KRWDZBQOSA-N 1 1 475.609 4.517 20 0 JJADMO COC(=O)c1ccc(Cl)c(C(=O)N2CC[N@@H+](CCCc3ccccc3)C[C@@H]2CC(C)C)c1 ZINC001436434447 1065318158 /nfs/dbraw/zinc/31/81/58/1065318158.db2.gz WRPLLDUIEZLFKO-QFIPXVFZSA-N 1 1 457.014 4.932 20 0 JJADMO O=C(c1cccc(OC(F)F)c1)N(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001436450577 1065322166 /nfs/dbraw/zinc/32/21/66/1065322166.db2.gz RZJIYGLJJBNQFL-HSZRJFAPSA-N 1 1 451.517 4.990 20 0 JJADMO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C2CCC2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001360440362 1065323665 /nfs/dbraw/zinc/32/36/65/1065323665.db2.gz QRUJAARFZVEBNF-HXUWFJFHSA-N 1 1 487.714 4.801 20 0 JJADMO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)c1cccc(O)c1)[N@@H+](C)C1CC1 ZINC001360445415 1065333215 /nfs/dbraw/zinc/33/32/15/1065333215.db2.gz BRVJHHNMACQEQN-AAUAJYIVSA-N 1 1 455.647 4.582 20 0 JJADMO Cc1c(C(=O)N2CCN(Cc3ccc(Cl)cc3)C[C@H]2CC(C)C)cnn1-c1cc[nH+]cc1 ZINC001436521182 1065340923 /nfs/dbraw/zinc/34/09/23/1065340923.db2.gz PDYXMZXQSNAUKT-HSZRJFAPSA-N 1 1 452.002 4.602 20 0 JJADMO COc1ccc(CCC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1Br ZINC001360455482 1065355464 /nfs/dbraw/zinc/35/54/64/1065355464.db2.gz MRLZLMXEQUEDAV-RXVVDRJESA-N 1 1 459.428 4.902 20 0 JJADMO C[C@H](c1ccco1)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001360458244 1065357653 /nfs/dbraw/zinc/35/76/53/1065357653.db2.gz GLNNDWDOJMOYAG-OPYAIIAOSA-N 1 1 458.006 4.919 20 0 JJADMO C[C@H]1C[C@H](N(C)C(=O)CN(C(=O)c2ccccc2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001360458892 1065358894 /nfs/dbraw/zinc/35/88/94/1065358894.db2.gz BBADMKFREREECB-WNCULLNHSA-N 1 1 455.602 4.845 20 0 JJADMO C[C@H]1C[C@H](N(C)C(=O)c2ccc3cncc(Br)c3n2)CC[N@H+]1Cc1ccccc1 ZINC001360459158 1065360249 /nfs/dbraw/zinc/36/02/49/1065360249.db2.gz FZUDOOYYVLMNHF-QFBILLFUSA-N 1 1 453.384 4.517 20 0 JJADMO C[C@H](c1cccs1)N(C)c1nnc(-c2ccccc2Cl)n1CC[N@@H+]1CCOCC1(C)C ZINC001360462200 1065370658 /nfs/dbraw/zinc/37/06/58/1065370658.db2.gz GHQKWSSJXJYWRP-QGZVFWFLSA-N 1 1 460.047 4.968 20 0 JJADMO C[C@H](c1cccs1)N(C)c1nnc(-c2ccccc2Cl)n1CC[N@H+]1CCOCC1(C)C ZINC001360462200 1065370665 /nfs/dbraw/zinc/37/06/65/1065370665.db2.gz GHQKWSSJXJYWRP-QGZVFWFLSA-N 1 1 460.047 4.968 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001360465657 1065374455 /nfs/dbraw/zinc/37/44/55/1065374455.db2.gz XUJWEOANZWCDEM-NRFANRHFSA-N 1 1 455.643 4.537 20 0 JJADMO CCC[C@H]1CN(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CC[N@H+]1CCOC ZINC001545899667 1065380282 /nfs/dbraw/zinc/38/02/82/1065380282.db2.gz WHTQXWGZBHIQCF-KRWDZBQOSA-N 1 1 454.398 4.540 20 0 JJADMO Cc1cc(NC(=O)c2ccco2)sc1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001436598465 1065391612 /nfs/dbraw/zinc/39/16/12/1065391612.db2.gz HSBUNZMRDQVTCX-FQEVSTJZSA-N 1 1 451.592 4.934 20 0 JJADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC[N@@H+](C)C1CCCCC1 ZINC001360487433 1065406418 /nfs/dbraw/zinc/40/64/18/1065406418.db2.gz XZESTIATZGCNCW-GOSISDBHSA-N 1 1 498.672 4.777 20 0 JJADMO COc1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)c(Cl)c(OC)c1 ZINC001436689685 1065423315 /nfs/dbraw/zinc/42/33/15/1065423315.db2.gz LGDZKROAXZZMQZ-QZTJIDSGSA-N 1 1 457.983 4.668 20 0 JJADMO O=C(NC1CC[NH+](Cc2cccc(Br)c2)CC1)c1ccccc1Br ZINC001436718503 1065430217 /nfs/dbraw/zinc/43/02/17/1065430217.db2.gz ZPVOKQIYPVHGQL-UHFFFAOYSA-N 1 1 452.190 4.606 20 0 JJADMO COCC[N@@H+](C)CCCC1CCN(C(=O)Cc2c(C)cc(C)c(Br)c2C)CC1 ZINC001545901158 1065435729 /nfs/dbraw/zinc/43/57/29/1065435729.db2.gz DIFOTTMKGWSSLA-UHFFFAOYSA-N 1 1 453.465 4.514 20 0 JJADMO C[C@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360504959 1065438273 /nfs/dbraw/zinc/43/82/73/1065438273.db2.gz FSGSBBVVVSGSKA-FYYLOGMGSA-N 1 1 489.668 4.708 20 0 JJADMO 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JJADMO C[C@H](CCn1c([C@@H]2CCCCO2)nnc1N(C)CC1CC(F)(F)C1)[N@@H+](C)Cc1ccccc1 ZINC001360509739 1065450670 /nfs/dbraw/zinc/45/06/70/1065450670.db2.gz XHEOKDMUESBERE-KNQAVFIVSA-N 1 1 461.601 4.912 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCCOC3)n2CC[C@H](C)c2ccccc2)CC1 ZINC001360509583 1065450746 /nfs/dbraw/zinc/45/07/46/1065450746.db2.gz VHAHBTPRGRBIRV-WIOPSUGQSA-N 1 1 453.675 4.923 20 0 JJADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC001436847473 1065451433 /nfs/dbraw/zinc/45/14/33/1065451433.db2.gz QPLVJZDJZRJIJD-ATIYNZHBSA-N 1 1 450.529 4.899 20 0 JJADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CSCc1ccc(C(C)(C)C)cc1 ZINC001436845956 1065451508 /nfs/dbraw/zinc/45/15/08/1065451508.db2.gz INZPDKKCNJGCSU-ILBGXUMGSA-N 1 1 454.680 4.871 20 0 JJADMO C[C@@H](CCn1c(N2CCC(OC[C@H]3CCOC3)CC2)nnc1C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001360510226 1065452422 /nfs/dbraw/zinc/45/24/22/1065452422.db2.gz GQPPPDUZVFJGDQ-UPVQGACJSA-N 1 1 483.701 4.508 20 0 JJADMO 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CCCOc1cccc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)c1 ZINC001438326692 1065710032 /nfs/dbraw/zinc/71/00/32/1065710032.db2.gz FBTRCTSYVRKQRB-WUFINQPMSA-N 1 1 458.602 4.811 20 0 JJADMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(C3CCCC3)n2CC[N@@H+](C)Cc2ccccc2)C1 ZINC001360641340 1065713669 /nfs/dbraw/zinc/71/36/69/1065713669.db2.gz GYKHNSWFYDKCBH-XUZZJYLKSA-N 1 1 496.700 4.807 20 0 JJADMO O=C(N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)c1cnnn1-c1cc(Cl)ccc1Cl ZINC001438357706 1065715701 /nfs/dbraw/zinc/71/57/01/1065715701.db2.gz KFSRDUCQRAPTGT-IBGZPJMESA-N 1 1 458.393 4.749 20 0 JJADMO C[C@H]1C[NH+](Cc2ccc(C(=O)OCc3cc(F)c(Br)cc3F)cc2)C[C@H](C)O1 ZINC001438518290 1065727759 /nfs/dbraw/zinc/72/77/59/1065727759.db2.gz JTGZUDIVTXGPHF-KBPBESRZSA-N 1 1 454.311 4.694 20 0 JJADMO CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001360658757 1065727905 /nfs/dbraw/zinc/72/79/05/1065727905.db2.gz PEHVVUGLJLIJSY-GMAHTHKFSA-N 1 1 458.002 4.548 20 0 JJADMO Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360711429 1065743512 /nfs/dbraw/zinc/74/35/12/1065743512.db2.gz GENDDQOVMLOOAY-JTSKRJEESA-N 1 1 453.583 4.585 20 0 JJADMO Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360711429 1065743524 /nfs/dbraw/zinc/74/35/24/1065743524.db2.gz GENDDQOVMLOOAY-JTSKRJEESA-N 1 1 453.583 4.585 20 0 JJADMO CCc1ccccc1O[C@H](C(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC001360712133 1065744468 /nfs/dbraw/zinc/74/44/68/1065744468.db2.gz VIBRVPQFZUPKJX-OFEZKSIWSA-N 1 1 458.602 4.775 20 0 JJADMO CCc1ccccc1O[C@H](C(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC001360712133 1065744484 /nfs/dbraw/zinc/74/44/84/1065744484.db2.gz VIBRVPQFZUPKJX-OFEZKSIWSA-N 1 1 458.602 4.775 20 0 JJADMO C[C@H]1C[C@@H](N(C)C(=O)Cc2noc3ccc(Br)cc32)CC[N@H+]1Cc1ccccc1 ZINC001360735394 1065763775 /nfs/dbraw/zinc/76/37/75/1065763775.db2.gz RDPPSQANBKCLLE-LPHOPBHVSA-N 1 1 456.384 4.644 20 0 JJADMO C[C@H]1C[NH+](Cc2ccc(C(=O)NCc3cc4cc(Br)ccc4o3)cc2)C[C@H](C)O1 ZINC001438963471 1065771966 /nfs/dbraw/zinc/77/19/66/1065771966.db2.gz FSCOBSHKIPDTHN-HOTGVXAUSA-N 1 1 457.368 4.735 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2cc3c(cc2Br)OCO3)CCCCC1 ZINC001439095906 1065784939 /nfs/dbraw/zinc/78/49/39/1065784939.db2.gz GSHHLBMEBKXSBE-UHFFFAOYSA-N 1 1 459.384 4.743 20 0 JJADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCCOCC(F)F ZINC001360745682 1065785831 /nfs/dbraw/zinc/78/58/31/1065785831.db2.gz OLEODKIFQVPLKS-SFHVURJKSA-N 1 1 483.579 4.540 20 0 JJADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCCOCC(F)F ZINC001360745681 1065785920 /nfs/dbraw/zinc/78/59/20/1065785920.db2.gz OLEODKIFQVPLKS-GOSISDBHSA-N 1 1 483.579 4.540 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)C2CCC(NC(=O)C3CCCC3)CC2)CCCCC1 ZINC001439101949 1065786252 /nfs/dbraw/zinc/78/62/52/1065786252.db2.gz XDNBEQQJCUPPBM-UHFFFAOYSA-N 1 1 453.671 4.803 20 0 JJADMO C[N@H+]1CCC[C@@H](CNC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)[C@@H]1c1cccs1 ZINC001360746959 1065789160 /nfs/dbraw/zinc/78/91/60/1065789160.db2.gz INBUSPGQZNHFSH-KNDQPZNBSA-N 1 1 461.672 4.817 20 0 JJADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001360749428 1065792069 /nfs/dbraw/zinc/79/20/69/1065792069.db2.gz DPDACBIRBINWIN-FNAHDJPLSA-N 1 1 473.637 4.825 20 0 JJADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC(F)F)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001360754062 1065802070 /nfs/dbraw/zinc/80/20/70/1065802070.db2.gz NSFORNIGYIKSSZ-HOTGVXAUSA-N 1 1 464.948 4.622 20 0 JJADMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC001439269799 1065807932 /nfs/dbraw/zinc/80/79/32/1065807932.db2.gz MCPHXQGUSLWYSA-WJFTUGDTSA-N 1 1 472.429 4.868 20 0 JJADMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC001439269799 1065807953 /nfs/dbraw/zinc/80/79/53/1065807953.db2.gz MCPHXQGUSLWYSA-WJFTUGDTSA-N 1 1 472.429 4.868 20 0 JJADMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(Cl)c(Br)c1 ZINC001439270968 1065808111 /nfs/dbraw/zinc/80/81/11/1065808111.db2.gz FESWOEMPPUPCCO-RHSMWYFYSA-N 1 1 461.709 4.895 20 0 JJADMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(Cl)c(Br)c1 ZINC001439270968 1065808126 /nfs/dbraw/zinc/80/81/26/1065808126.db2.gz FESWOEMPPUPCCO-RHSMWYFYSA-N 1 1 461.709 4.895 20 0 JJADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCCC(C)(C)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001360759212 1065828640 /nfs/dbraw/zinc/82/86/40/1065828640.db2.gz YWYRHSIWHGAKFN-FPOVZHCZSA-N 1 1 476.065 4.545 20 0 JJADMO CC(C)N1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001360760048 1065830439 /nfs/dbraw/zinc/83/04/39/1065830439.db2.gz GQMPQMCPLOCXIW-NRFANRHFSA-N 1 1 489.108 4.866 20 0 JJADMO C[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001360760856 1065834834 /nfs/dbraw/zinc/83/48/34/1065834834.db2.gz UKUUIZWFBSSMPV-NPPFBWRTSA-N 1 1 476.065 4.806 20 0 JJADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCS[C@H](C)[C@H]2C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001360762114 1065837711 /nfs/dbraw/zinc/83/77/11/1065837711.db2.gz ABBWHSKNHJZRGH-CEXWTWQISA-N 1 1 494.105 4.513 20 0 JJADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCS[C@H](C)[C@H]2C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001360762114 1065837725 /nfs/dbraw/zinc/83/77/25/1065837725.db2.gz ABBWHSKNHJZRGH-CEXWTWQISA-N 1 1 494.105 4.513 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)CC2CCOCC2)C1 ZINC001360765019 1065847707 /nfs/dbraw/zinc/84/77/07/1065847707.db2.gz JLQAHLNPLHCJHD-UNMCSNQZSA-N 1 1 473.637 4.540 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)CC2CCOCC2)C1 ZINC001360765017 1065847767 /nfs/dbraw/zinc/84/77/67/1065847767.db2.gz JLQAHLNPLHCJHD-IRLDBZIGSA-N 1 1 473.637 4.540 20 0 JJADMO CC(C)[C@@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CC1CCCCC1)[NH+]1CCOCC1 ZINC001360765623 1065851493 /nfs/dbraw/zinc/85/14/93/1065851493.db2.gz VMCFFHTUGXQBSZ-ZJSXRUAMSA-N 1 1 487.664 4.931 20 0 JJADMO C[C@H](Oc1ccccc1F)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC1CC(C)(C)C1 ZINC001360767497 1065856745 /nfs/dbraw/zinc/85/67/45/1065856745.db2.gz PVXFOBLIKNXXEZ-ZCNNSNEGSA-N 1 1 473.637 4.539 20 0 JJADMO C[C@H](Oc1ccccc1F)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC1CC(C)(C)C1 ZINC001360767497 1065856755 /nfs/dbraw/zinc/85/67/55/1065856755.db2.gz PVXFOBLIKNXXEZ-ZCNNSNEGSA-N 1 1 473.637 4.539 20 0 JJADMO C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCCC(C)(C)C ZINC001360769028 1065859943 /nfs/dbraw/zinc/85/99/43/1065859943.db2.gz CJRWOMCWERANPC-FNZWTVRRSA-N 1 1 473.637 4.685 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCSC2)CC1 ZINC001360769719 1065863422 /nfs/dbraw/zinc/86/34/22/1065863422.db2.gz MLXDJFFBMHQPKM-FPOVZHCZSA-N 1 1 475.678 4.867 20 0 JJADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCSC[C@@H]2C)n1CCC[N@H+]1CCCC[C@H]1C ZINC001360777705 1065882168 /nfs/dbraw/zinc/88/21/68/1065882168.db2.gz DKFQRBAJNFIDJV-AABGKKOBSA-N 1 1 461.651 4.763 20 0 JJADMO CN(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1c(F)cccc1Cl ZINC001439820329 1065882284 /nfs/dbraw/zinc/88/22/84/1065882284.db2.gz UEKPKQCIFWHGOI-BBVWWWHTSA-N 1 1 466.000 4.866 20 0 JJADMO CC(C)(C)OC(=O)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C1CCCC1 ZINC001439819036 1065882437 /nfs/dbraw/zinc/88/24/37/1065882437.db2.gz OZXYQLRFWPNUDQ-NXCFDTQHSA-N 1 1 462.634 4.919 20 0 JJADMO CC1(C)CCC[N@@H+](CCn2c(-c3ccccc3F)nnc2N2CCC[C@H](OCC(F)(F)F)C2)C1 ZINC001360808517 1065921562 /nfs/dbraw/zinc/92/15/62/1065921562.db2.gz OASAFXBEKGQROV-SFHVURJKSA-N 1 1 483.554 4.754 20 0 JJADMO Cc1sc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)nc1Br ZINC001440184440 1065922484 /nfs/dbraw/zinc/92/24/84/1065922484.db2.gz CVESMBKFTZCIRZ-HUUCEWRRSA-N 1 1 463.426 4.525 20 0 JJADMO CC1(C)CCC[N@@H+](CCn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@@H](C(F)F)C2)C1 ZINC001360808856 1065922752 /nfs/dbraw/zinc/92/27/52/1065922752.db2.gz VUGCBPULWNQRFK-QGZVFWFLSA-N 1 1 452.981 4.597 20 0 JJADMO CC1(C)CCC[N@@H+](CCn2c(-c3ccc(Br)s3)nnc2N2CC=CCC2)C1 ZINC001360809032 1065923212 /nfs/dbraw/zinc/92/32/12/1065923212.db2.gz ZPIRFEBPCQIRHY-UHFFFAOYSA-N 1 1 450.450 4.657 20 0 JJADMO CN(Cc1nccn1C(F)F)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001440303562 1065929617 /nfs/dbraw/zinc/92/96/17/1065929617.db2.gz HTJSAKAWPZUFSC-LEWJYISDSA-N 1 1 458.940 4.806 20 0 JJADMO CC(C)(C)OC(=O)[C@H](C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C(C)(C)C ZINC001440565579 1065950655 /nfs/dbraw/zinc/95/06/55/1065950655.db2.gz JSTOTRSPIYGZTK-QHCPKHFHSA-N 1 1 450.623 4.924 20 0 JJADMO COc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OCc1ccccc1Cl ZINC001440702924 1065967816 /nfs/dbraw/zinc/96/78/16/1065967816.db2.gz FQJFKEBWLKGBQQ-QFIPXVFZSA-N 1 1 450.966 4.932 20 0 JJADMO O=C(c1ccc(Oc2cccc(Cl)c2Cl)nn1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001440727820 1065971268 /nfs/dbraw/zinc/97/12/68/1065971268.db2.gz OCTDEGFNUMPECV-UHFFFAOYSA-N 1 1 457.361 4.924 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(Cc2ccsc2)nnc1N1CCC(C)=C(Br)C1 ZINC001360854161 1065972703 /nfs/dbraw/zinc/97/27/03/1065972703.db2.gz RHNUVXSAIBOFPF-UHFFFAOYSA-N 1 1 475.460 4.795 20 0 JJADMO CC(C)(C)OC(=O)NCc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001440742451 1065974312 /nfs/dbraw/zinc/97/43/12/1065974312.db2.gz PNKNNSMKVXLUBG-JOCHJYFZSA-N 1 1 458.002 4.932 20 0 JJADMO Cc1cccc(OCc2nnc(N3CCC(C)=C(Br)C3)n2CC[N@@H+]2CCC[C@H]2C)c1 ZINC001360858030 1065976893 /nfs/dbraw/zinc/97/68/93/1065976893.db2.gz WAKQGPAZTOQDLF-LJQANCHMSA-N 1 1 474.447 4.529 20 0 JJADMO CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001440776938 1065978998 /nfs/dbraw/zinc/97/89/98/1065978998.db2.gz BFGRTZPZAVOPCC-ROUUACIJSA-N 1 1 457.640 4.741 20 0 JJADMO CCC(CC)[C@H](CNC(=O)[C@H](C)Sc1ccnc2cc(Cl)ccc21)[NH+]1CCOCC1 ZINC001440796244 1065979795 /nfs/dbraw/zinc/97/97/95/1065979795.db2.gz INHWNXUVJJVLOA-KKSFZXQISA-N 1 1 450.048 4.622 20 0 JJADMO Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)c1C ZINC001360864653 1065982664 /nfs/dbraw/zinc/98/26/64/1065982664.db2.gz DZXNFAFFLAITQH-QFIPXVFZSA-N 1 1 468.690 4.679 20 0 JJADMO Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CC[N@H+]2CCc3sccc3C2)c1C ZINC001360865314 1065984290 /nfs/dbraw/zinc/98/42/90/1065984290.db2.gz YNONAAUJDKZZFU-UHFFFAOYSA-N 1 1 494.709 4.678 20 0 JJADMO CCCOc1nc2ccccc2cc1/C=C/C(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC001440870183 1065986304 /nfs/dbraw/zinc/98/63/04/1065986304.db2.gz FVHPCYOGWCKURH-SDNWHVSQSA-N 1 1 459.590 4.780 20 0 JJADMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3sc(-c4ccc(C)cc4F)nc3C)CC2)cc1 ZINC001440872272 1065986962 /nfs/dbraw/zinc/98/69/62/1065986962.db2.gz VYJCNRSFGLREGZ-UHFFFAOYSA-N 1 1 453.583 4.923 20 0 JJADMO COc1ccc(C[N@H+]2CCCN(C(=O)c3sc(-c4ccc(C)cc4F)nc3C)CC2)cc1 ZINC001440872272 1065986972 /nfs/dbraw/zinc/98/69/72/1065986972.db2.gz VYJCNRSFGLREGZ-UHFFFAOYSA-N 1 1 453.583 4.923 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@@H]1CCSC1 ZINC001360866122 1065987289 /nfs/dbraw/zinc/98/72/89/1065987289.db2.gz NDQVXQGLKWMGLA-IFMALSPDSA-N 1 1 468.671 4.962 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccoc3)n2CC[N@H+]2CCC[C@H](C)C2)c1C ZINC001360868330 1065991493 /nfs/dbraw/zinc/99/14/93/1065991493.db2.gz BFWQRGVXFFYIPN-SIKLNZKXSA-N 1 1 451.615 4.996 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)CCc3cnccn3)n2CC[N@H+]2CCCC(C)(C)C2)c1C ZINC001360869246 1065997024 /nfs/dbraw/zinc/99/70/24/1065997024.db2.gz NERXSHJLVZCQTA-QHCPKHFHSA-N 1 1 491.684 4.626 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccon3)n2CCC[N@H+]2CCCC[C@@H]2C)c1C ZINC001360869890 1066000376 /nfs/dbraw/zinc/00/03/76/1066000376.db2.gz RQGPWQPQPULWLN-RBBKRZOGSA-N 1 1 466.630 4.924 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)n2CCOCCC(C)C)c1C ZINC001360870021 1066000750 /nfs/dbraw/zinc/00/07/50/1066000750.db2.gz LYAKDBBABPHZQQ-JRFVFWCSSA-N 1 1 469.674 4.771 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@@H](C)C3CCCCC3)n2C[C@]2(O)CC[N@@H+](C)C2)c1C ZINC001360871659 1066005871 /nfs/dbraw/zinc/00/58/71/1066005871.db2.gz ZAACFVGHQRIJJO-BERHBOFZSA-N 1 1 469.674 4.507 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@@](C)(O)C2CC2)c1C ZINC001360872833 1066007148 /nfs/dbraw/zinc/00/71/48/1066007148.db2.gz BHLZHJKDXIENQT-SKCUWOTOSA-N 1 1 483.701 4.753 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](C(C)C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)c1C ZINC001360872875 1066007248 /nfs/dbraw/zinc/00/72/48/1066007248.db2.gz AMNKUGAUTHIRDU-JWQCQUIFSA-N 1 1 496.744 4.933 20 0 JJADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)CC1 ZINC001441189556 1066013441 /nfs/dbraw/zinc/01/34/41/1066013441.db2.gz SRPXXECIVIJMCW-UHFFFAOYSA-N 1 1 457.018 4.917 20 0 JJADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)C[C@H](O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC001441189530 1066013590 /nfs/dbraw/zinc/01/35/90/1066013590.db2.gz SQRGSYCGKHCOQQ-NDEPHWFRSA-N 1 1 458.602 4.732 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCCC(C)(C)C3)n2CC[N@@H+]2CCOC(C)(C)C2)c1C ZINC001360874603 1066014544 /nfs/dbraw/zinc/01/45/44/1066014544.db2.gz NMFLRUIPPYMTAF-QFIPXVFZSA-N 1 1 469.674 4.772 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCCC(C)(C)C3)n2CC[N@H+]2CCOC(C)(C)C2)c1C ZINC001360874603 1066014556 /nfs/dbraw/zinc/01/45/56/1066014556.db2.gz NMFLRUIPPYMTAF-QFIPXVFZSA-N 1 1 469.674 4.772 20 0 JJADMO CC[C@H](CNC(=O)c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC001441241297 1066019150 /nfs/dbraw/zinc/01/91/50/1066019150.db2.gz NTQUVEKZZVJBLE-NTKDMRAZSA-N 1 1 451.611 4.839 20 0 JJADMO CC[C@H](CNC(=O)c1cc(-c2cccc(Br)c2)no1)[N@H+]1CCc2ccccc2C1 ZINC001441247076 1066020125 /nfs/dbraw/zinc/02/01/25/1066020125.db2.gz YOENYGYYNWDQHX-HXUWFJFHSA-N 1 1 454.368 4.671 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2CC2CC(F)(F)C2)c1C ZINC001360877086 1066022157 /nfs/dbraw/zinc/02/21/57/1066022157.db2.gz HPRSTWJTPKXYEZ-OAQYLSRUSA-N 1 1 491.627 4.627 20 0 JJADMO CCN1CC[NH+](Cc2ccc(NC(=O)/C(F)=C\c3ccc(F)c(C(F)(F)F)c3)cc2)CC1 ZINC001441314181 1066026281 /nfs/dbraw/zinc/02/62/81/1066026281.db2.gz NVNBGQHXWZPJDP-KGENOOAVSA-N 1 1 453.455 4.931 20 0 JJADMO CCN1CC[NH+](Cc2ccc(NC(=O)c3cnn(-c4ccccc4C)c3C(F)F)cc2)CC1 ZINC001441317811 1066026895 /nfs/dbraw/zinc/02/68/95/1066026895.db2.gz UCGILEOQFYTBTR-UHFFFAOYSA-N 1 1 453.537 4.508 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCSCC3)n2CCC[N@H+]2CCCC[C@H]2C)c1C ZINC001360879077 1066028487 /nfs/dbraw/zinc/02/84/87/1066028487.db2.gz FUPQUKUTPQCJLM-IFMALSPDSA-N 1 1 457.688 4.853 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCSCC3)n2CCC[N@H+]2CCCC[C@@H]2C)c1C ZINC001360879079 1066028613 /nfs/dbraw/zinc/02/86/13/1066028613.db2.gz FUPQUKUTPQCJLM-RBBKRZOGSA-N 1 1 457.688 4.853 20 0 JJADMO CCCOc1ccc(C(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(OC(C)C)c1 ZINC001441329242 1066029294 /nfs/dbraw/zinc/02/92/94/1066029294.db2.gz WLZNONUYHZEEOV-OYRHEFFESA-N 1 1 454.611 4.802 20 0 JJADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)C1 ZINC001441358294 1066033773 /nfs/dbraw/zinc/03/37/73/1066033773.db2.gz SSZMRBDVSUPJBH-INIZCTEOSA-N 1 1 458.484 4.917 20 0 JJADMO CC1=C(C)CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001360888097 1066041544 /nfs/dbraw/zinc/04/15/44/1066041544.db2.gz OVDSWNQLTQIWQY-QFIPXVFZSA-N 1 1 486.705 4.814 20 0 JJADMO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC001441447607 1066041653 /nfs/dbraw/zinc/04/16/53/1066041653.db2.gz SHZVRZPJJFCIAL-UHFFFAOYSA-N 1 1 457.368 4.634 20 0 JJADMO CC(C)c1ccc([C@@H](CNC(=O)c2cnn(C(C)C)c2N)[N@@H+]2CCc3sccc3C2)cc1 ZINC001441460063 1066042476 /nfs/dbraw/zinc/04/24/76/1066042476.db2.gz CDNSPGCIKJPEIW-JOCHJYFZSA-N 1 1 451.640 4.761 20 0 JJADMO CC(C)c1ccc([C@@H](CNC(=O)c2cnn(C(C)C)c2N)[N@H+]2CCc3sccc3C2)cc1 ZINC001441460063 1066042488 /nfs/dbraw/zinc/04/24/88/1066042488.db2.gz CDNSPGCIKJPEIW-JOCHJYFZSA-N 1 1 451.640 4.761 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)Cc2ccccc2C(=O)OC(C)(C)C)C1 ZINC001441459093 1066042667 /nfs/dbraw/zinc/04/26/67/1066042667.db2.gz DCVQSWWFWAHHGX-OYRHEFFESA-N 1 1 450.623 4.979 20 0 JJADMO COC(=O)c1cc(C(=O)NC[C@H](c2ccc(C(C)C)cc2)[N@@H+]2CCc3sccc3C2)c[nH]1 ZINC001441461886 1066043044 /nfs/dbraw/zinc/04/30/44/1066043044.db2.gz FXXLSDFXRSXYOQ-JOCHJYFZSA-N 1 1 451.592 4.516 20 0 JJADMO COC(=O)c1cc(C(=O)NC[C@H](c2ccc(C(C)C)cc2)[N@H+]2CCc3sccc3C2)c[nH]1 ZINC001441461886 1066043053 /nfs/dbraw/zinc/04/30/53/1066043053.db2.gz FXXLSDFXRSXYOQ-JOCHJYFZSA-N 1 1 451.592 4.516 20 0 JJADMO CC1=C(C)CN(c2nnc(CCOc3ccccc3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001360892221 1066043897 /nfs/dbraw/zinc/04/38/97/1066043897.db2.gz POAFDSSNIONRQW-QFIPXVFZSA-N 1 1 451.659 4.958 20 0 JJADMO COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC001441490619 1066046145 /nfs/dbraw/zinc/04/61/45/1066046145.db2.gz TTXSCUYXVCQNIP-UHFFFAOYSA-N 1 1 457.918 4.837 20 0 JJADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001441518808 1066047886 /nfs/dbraw/zinc/04/78/86/1066047886.db2.gz CFVYUJZIZNOKMX-PMOQBDJRSA-N 1 1 478.077 4.919 20 0 JJADMO Cc1c(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc(CNC(=O)OC(C)(C)C)n1C ZINC001441562498 1066051049 /nfs/dbraw/zinc/05/10/49/1066051049.db2.gz OSCUEEBQFUCEPI-GOSISDBHSA-N 1 1 454.615 4.985 20 0 JJADMO COc1cc([C@H](C)NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)ccc1OCc1ccncc1 ZINC001441694465 1066062161 /nfs/dbraw/zinc/06/21/61/1066062161.db2.gz ZFRWDZJESMMYPZ-XDHUDOTRSA-N 1 1 453.970 4.803 20 0 JJADMO O=C(Cc1ccccc1)Nc1cc(NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)ccc1F ZINC001441712587 1066063721 /nfs/dbraw/zinc/06/37/21/1066063721.db2.gz VAXNTJRQXNTJTH-QHCPKHFHSA-N 1 1 459.565 4.900 20 0 JJADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2 ZINC001360909490 1066065835 /nfs/dbraw/zinc/06/58/35/1066065835.db2.gz SYLWJOCVLHMJLV-QSEAXJEQSA-N 1 1 455.643 4.537 20 0 JJADMO Cc1nc(-c2ccccc2)sc1-c1nnc(N2C[C@@H](C)O[C@H](C)C2)n1CCC[N@H+](C)C(C)C ZINC001360910404 1066066201 /nfs/dbraw/zinc/06/62/01/1066066201.db2.gz FPYCXBCDXOCZOO-RTBURBONSA-N 1 1 468.671 4.721 20 0 JJADMO Cc1occc1CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001360929318 1066084790 /nfs/dbraw/zinc/08/47/90/1066084790.db2.gz BLVBHCLDSJMTFU-TZIWHRDSSA-N 1 1 485.604 4.596 20 0 JJADMO Cc1c(CN(C)c2nnc(-c3cccc(Cl)c3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cnn1C ZINC001360932723 1066090257 /nfs/dbraw/zinc/09/02/57/1066090257.db2.gz QWDUMKQXKLZMHW-LJQANCHMSA-N 1 1 470.065 4.789 20 0 JJADMO CCN(C(=O)COc1ccc(C(=O)c2ccccc2)cc1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001442072579 1066090349 /nfs/dbraw/zinc/09/03/49/1066090349.db2.gz LCGDVDKSILBIIN-NVQXNPDNSA-N 1 1 456.586 4.980 20 0 JJADMO C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)C1CCCCC1 ZINC001442078145 1066090780 /nfs/dbraw/zinc/09/07/80/1066090780.db2.gz JBHSEPUFLKONOI-OAQYLSRUSA-N 1 1 454.014 4.774 20 0 JJADMO CCN(C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001442078450 1066090915 /nfs/dbraw/zinc/09/09/15/1066090915.db2.gz SLMINMKPTMVHFO-WMZHIEFXSA-N 1 1 452.599 4.655 20 0 JJADMO C[N@@H+](Cc1ccccc1CNC(=O)[C@H]1C[C@]12CCN(C(=O)OC(C)(C)C)C2)C1CCCCC1 ZINC001442082207 1066091185 /nfs/dbraw/zinc/09/11/85/1066091185.db2.gz XZNNNVASIJAVBR-KCWPFWIISA-N 1 1 455.643 4.714 20 0 JJADMO CCN(C(=O)c1cc(Nc2nc(C)cc(C)n2)ccc1O)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001442082570 1066091817 /nfs/dbraw/zinc/09/18/17/1066091817.db2.gz ZPKINUGZZDVGAQ-NZQKXSOJSA-N 1 1 459.594 4.840 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCCC(=O)c2ccc(Br)cc2)cc1F ZINC001442105343 1066093782 /nfs/dbraw/zinc/09/37/82/1066093782.db2.gz OBTTYZPNOMOJPO-UHFFFAOYSA-N 1 1 458.331 4.752 20 0 JJADMO Cc1occc1CN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001360944680 1066099317 /nfs/dbraw/zinc/09/93/17/1066099317.db2.gz FKLCZJGGYSDKRL-ZWKOTPCHSA-N 1 1 457.569 4.805 20 0 JJADMO O=C(CCCC[NH+]1CCOCC1)N(Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 ZINC001442183730 1066099581 /nfs/dbraw/zinc/09/95/81/1066099581.db2.gz HEWNZJJPTCXAMA-UHFFFAOYSA-N 1 1 450.501 4.959 20 0 JJADMO Cc1ncsc1CN(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001360949661 1066106260 /nfs/dbraw/zinc/10/62/60/1066106260.db2.gz OHFSITDWLXDTJY-IBGZPJMESA-N 1 1 472.634 4.518 20 0 JJADMO CC(C)(C)c1cnc(CCC(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)o1 ZINC001360952130 1066109206 /nfs/dbraw/zinc/10/92/06/1066109206.db2.gz WNZZHBONIKUBDH-IBGZPJMESA-N 1 1 451.533 4.818 20 0 JJADMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC001442331412 1066116937 /nfs/dbraw/zinc/11/69/37/1066116937.db2.gz RSMWDGMYUYIUGT-WOJBJXKFSA-N 1 1 451.014 4.972 20 0 JJADMO C[N@@H+](CCNC(=O)c1cc2cc(Br)cc(Br)c2o1)C1CCCCC1 ZINC001442335651 1066117707 /nfs/dbraw/zinc/11/77/07/1066117707.db2.gz HOCYJXCJWZJCJN-UHFFFAOYSA-N 1 1 458.194 4.952 20 0 JJADMO Cc1ccoc1Cn1c(-c2ccc(Br)s2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001360959999 1066118168 /nfs/dbraw/zinc/11/81/68/1066118168.db2.gz VVNGUYQZTVUJSF-UHFFFAOYSA-N 1 1 464.433 4.639 20 0 JJADMO C[N@@H+](CCNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1)C1CCCCC1 ZINC001442341294 1066118294 /nfs/dbraw/zinc/11/82/94/1066118294.db2.gz WKLKGOAAIAROQN-YADHBBJMSA-N 1 1 464.050 4.671 20 0 JJADMO Cc1ccoc1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001360960093 1066118304 /nfs/dbraw/zinc/11/83/04/1066118304.db2.gz ZPOSIDRBCGJGFD-UHFFFAOYSA-N 1 1 465.642 4.739 20 0 JJADMO Cc1ccoc1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001360960093 1066118310 /nfs/dbraw/zinc/11/83/10/1066118310.db2.gz ZPOSIDRBCGJGFD-UHFFFAOYSA-N 1 1 465.642 4.739 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC001442447302 1066127294 /nfs/dbraw/zinc/12/72/94/1066127294.db2.gz LNHPUBVFXHIAQE-XMMPIXPASA-N 1 1 451.014 4.972 20 0 JJADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2ccc[nH]2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001360985536 1066147848 /nfs/dbraw/zinc/14/78/48/1066147848.db2.gz DMKHUFWFSRQQQJ-OYRHEFFESA-N 1 1 491.684 4.723 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@@H]1CCOC1 ZINC001360986303 1066150912 /nfs/dbraw/zinc/15/09/12/1066150912.db2.gz AHEALPPDTNEWFH-CTNGQTDRSA-N 1 1 487.048 4.756 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)[C@H](C)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001360990211 1066166464 /nfs/dbraw/zinc/16/64/64/1066166464.db2.gz RCKOVOFHIPYIBV-ADYITMSISA-N 1 1 490.092 4.627 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001360990201 1066166588 /nfs/dbraw/zinc/16/65/88/1066166588.db2.gz QYDPZJVUQPTWRX-UWHLTILDSA-N 1 1 476.065 4.786 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CCCCCCO ZINC001360990264 1066167056 /nfs/dbraw/zinc/16/70/56/1066167056.db2.gz RWPSMOFGCUBVSW-QZNHQXDQSA-N 1 1 490.092 4.914 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@H](C)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001360990428 1066167517 /nfs/dbraw/zinc/16/75/17/1066167517.db2.gz VMEMUUZQHLJGDP-JMUQELJHSA-N 1 1 490.092 4.891 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCSCC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001360992690 1066172326 /nfs/dbraw/zinc/17/23/26/1066172326.db2.gz RBQKWVKBZOQSKK-YLJYHZDGSA-N 1 1 478.106 4.973 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(Nc2cnn(C)c2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001360993076 1066172916 /nfs/dbraw/zinc/17/29/16/1066172916.db2.gz XXVUASYXFXBFFG-LPHOPBHVSA-N 1 1 472.037 4.897 20 0 JJADMO Cc1cc(C(=O)NC2CCN(c3nnc(C(C)C)n3CCC[N@@H+](C)C3CCCCC3)CC2)c(C)o1 ZINC001360994790 1066174092 /nfs/dbraw/zinc/17/40/92/1066174092.db2.gz ABFLRFMIVLXTLL-UHFFFAOYSA-N 1 1 484.689 4.665 20 0 JJADMO CCN(CC)c1ccc2cc(C(=O)NC[C@H]3CCC[N@@H+](C)[C@H]3c3cccs3)c(=O)oc2c1 ZINC001360996377 1066175133 /nfs/dbraw/zinc/17/51/33/1066175133.db2.gz INIHZIKGWMKHCF-WZONZLPQSA-N 1 1 453.608 4.514 20 0 JJADMO Cc1cccc([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)c1 ZINC001361004738 1066183075 /nfs/dbraw/zinc/18/30/75/1066183075.db2.gz RWDNQKUNRKIAAX-OAQYLSRUSA-N 1 1 497.087 4.900 20 0 JJADMO C[N@@H+](CCN(Cc1ccccc1)C(=O)COc1cccc2c1OC(C)(C)C2)Cc1ccccc1 ZINC001361013741 1066198948 /nfs/dbraw/zinc/19/89/48/1066198948.db2.gz UHDDVYJACMBZIW-UHFFFAOYSA-N 1 1 458.602 4.940 20 0 JJADMO Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCC[N@@H+](C)C2CCCCC2)c(C)c1 ZINC001361014478 1066201174 /nfs/dbraw/zinc/20/11/74/1066201174.db2.gz DSOOMPRJUUSGLD-XMMPIXPASA-N 1 1 496.700 4.784 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CC2CCCCC2)c1 ZINC001361017687 1066206673 /nfs/dbraw/zinc/20/66/73/1066206673.db2.gz ALSULLYJQIHGIE-UHFFFAOYSA-N 1 1 483.701 4.849 20 0 JJADMO Cc1ccc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2CCC[N@H+]2CCCO[C@H](C)C2)s1 ZINC001361021114 1066213125 /nfs/dbraw/zinc/21/31/25/1066213125.db2.gz QQLBKSHWJAAIKY-JOCHJYFZSA-N 1 1 497.709 4.981 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N(C)Cc3nccs3)n2CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001361021395 1066215011 /nfs/dbraw/zinc/21/50/11/1066215011.db2.gz WUVPPXUERFVWDX-NRFANRHFSA-N 1 1 468.671 4.831 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N(C)CCC(F)(F)F)n2C[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC001361022571 1066218517 /nfs/dbraw/zinc/21/85/17/1066218517.db2.gz VIKSRZMFYILBSC-FQEVSTJZSA-N 1 1 465.564 4.879 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001361022627 1066218654 /nfs/dbraw/zinc/21/86/54/1066218654.db2.gz WURKNOBPJYNDAN-RPWUZVMVSA-N 1 1 469.674 4.600 20 0 JJADMO Cc1cc(N2CCC(NC(=O)c3cc(-c4cccc(C(F)(F)F)c4)ccn3)CC2)nc(C)[nH+]1 ZINC001361024882 1066223306 /nfs/dbraw/zinc/22/33/06/1066223306.db2.gz ZPWPJJQQNYQPHU-UHFFFAOYSA-N 1 1 455.484 4.573 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2Cc2nccs2)c1 ZINC001361027034 1066228439 /nfs/dbraw/zinc/22/84/39/1066228439.db2.gz KGVJIMJMCCZGPQ-UHFFFAOYSA-N 1 1 468.671 4.535 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@@H]2CCC[C@H](O)C2)c1 ZINC001361027865 1066230951 /nfs/dbraw/zinc/23/09/51/1066230951.db2.gz SLOUCVUBWCTAAD-RPBOFIJWSA-N 1 1 483.701 4.582 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@@H]2CCC[C@@H](O)C2)c1 ZINC001361027763 1066231041 /nfs/dbraw/zinc/23/10/41/1066231041.db2.gz SLOUCVUBWCTAAD-JWQCQUIFSA-N 1 1 483.701 4.582 20 0 JJADMO CCCN(C(=O)C1CCN(Cc2csc(C)n2)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001442886464 1066237009 /nfs/dbraw/zinc/23/70/09/1066237009.db2.gz YAPUVSCPBKOBDD-RUZDIDTESA-N 1 1 454.684 4.567 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC([NH+]4CCN(C(C)C)CC4)CC3)n2CCCC(C)C)c1 ZINC001361031034 1066239460 /nfs/dbraw/zinc/23/94/60/1066239460.db2.gz FXYNTYDSVBVJIH-UHFFFAOYSA-N 1 1 496.744 4.905 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC(F)(F)CC3)n2CC[N@H+](C)C2CCCCC2)c1 ZINC001361031718 1066243006 /nfs/dbraw/zinc/24/30/06/1066243006.db2.gz ZRURBZSBBAICOG-UHFFFAOYSA-N 1 1 461.601 4.974 20 0 JJADMO O=C(CCOc1ccccc1Br)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001454123152 1066248367 /nfs/dbraw/zinc/24/83/67/1066248367.db2.gz VOMZPUXNLUKWLR-HXUWFJFHSA-N 1 1 457.412 4.637 20 0 JJADMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1OCc1ccccc1Br ZINC001454129701 1066248727 /nfs/dbraw/zinc/24/87/27/1066248727.db2.gz FHIBCTNFKCWNOH-LJQANCHMSA-N 1 1 457.412 4.880 20 0 JJADMO CC[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1)OC ZINC001545953387 1066250404 /nfs/dbraw/zinc/25/04/04/1066250404.db2.gz XGZYQVOVGNCDFI-WOIUINJBSA-N 1 1 476.065 4.807 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCCO[C@H](C)C3)n2CCC[N@@H+](C)C2CCCCC2)c1 ZINC001361035156 1066252969 /nfs/dbraw/zinc/25/29/69/1066252969.db2.gz RKZHGTJOBUPKNH-HSZRJFAPSA-N 1 1 469.674 4.744 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CC[N@H+](C4CCC4)C[C@H](C)C3)n2CCC(C)(F)F)c1 ZINC001361035282 1066253123 /nfs/dbraw/zinc/25/31/23/1066253123.db2.gz BQDBNIGWFQYQIU-FQEVSTJZSA-N 1 1 461.601 4.830 20 0 JJADMO CC[C@H](Cn1c([C@@H](C)CC)nnc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001545953129 1066254309 /nfs/dbraw/zinc/25/43/09/1066254309.db2.gz UKKRKAAURUHFJF-IQFVJIFQSA-N 1 1 496.700 4.663 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2CCCC(C)(C)C)c1 ZINC001361035561 1066254587 /nfs/dbraw/zinc/25/45/87/1066254587.db2.gz FXUFUSXNNMJOCY-HSZRJFAPSA-N 1 1 469.674 4.601 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC001361039200 1066259595 /nfs/dbraw/zinc/25/95/95/1066259595.db2.gz ADEXAZXZRKYSMZ-HSALFYBXSA-N 1 1 461.601 4.684 20 0 JJADMO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001454268901 1066261614 /nfs/dbraw/zinc/26/16/14/1066261614.db2.gz LOHOOZGJOFGXAQ-ZHRRBRCNSA-N 1 1 453.435 4.569 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(Nc3ccn(C)n3)n2CCC[N@@H+](C)C2CCCCC2)c1 ZINC001361039799 1066262574 /nfs/dbraw/zinc/26/25/74/1066262574.db2.gz UTVKHXKLAZKIBA-UHFFFAOYSA-N 1 1 451.619 4.606 20 0 JJADMO O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001443098391 1066267332 /nfs/dbraw/zinc/26/73/32/1066267332.db2.gz PFOXGEMOXBPMFW-GCJKJVERSA-N 1 1 451.369 4.945 20 0 JJADMO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001443103143 1066268756 /nfs/dbraw/zinc/26/87/56/1066268756.db2.gz LYFGYGGUZPRWDB-KRWDZBQOSA-N 1 1 450.549 4.536 20 0 JJADMO CC[C@]1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001546060284 1066273821 /nfs/dbraw/zinc/27/38/21/1066273821.db2.gz XTFRVYJQNDJDDY-JTPXSGRQSA-N 1 1 466.674 4.894 20 0 JJADMO Cc1cc(-c2nnc(N(C)CC(F)(F)F)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)c2ccccc2n1 ZINC001361046092 1066273711 /nfs/dbraw/zinc/27/37/11/1066273711.db2.gz VFOZDIRGQIKMPD-FUHWJXTLSA-N 1 1 460.548 4.921 20 0 JJADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001454399283 1066277438 /nfs/dbraw/zinc/27/74/38/1066277438.db2.gz FENDNXJOOBGAEV-QDSKXPNFSA-N 1 1 451.611 4.669 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001361048543 1066277741 /nfs/dbraw/zinc/27/77/41/1066277741.db2.gz XKXOVVYDICZBQX-AZOUXBGGSA-N 1 1 457.659 4.877 20 0 JJADMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 ZINC001454404491 1066278202 /nfs/dbraw/zinc/27/82/02/1066278202.db2.gz UNGSSKOJUCPHIE-ASSXEAPQSA-N 1 1 453.671 4.659 20 0 JJADMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 ZINC001454404497 1066278947 /nfs/dbraw/zinc/27/89/47/1066278947.db2.gz UNGSSKOJUCPHIE-GINFMSJVSA-N 1 1 453.671 4.659 20 0 JJADMO CCCc1c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)nnn1-c1cccc(Cl)c1 ZINC001454406831 1066279223 /nfs/dbraw/zinc/27/92/23/1066279223.db2.gz POSJULCROYNULV-PGRDOPGGSA-N 1 1 452.002 4.514 20 0 JJADMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl ZINC001443219201 1066282363 /nfs/dbraw/zinc/28/23/63/1066282363.db2.gz SYEWTZMLZXVYFJ-GFCCVEGCSA-N 1 1 452.855 4.639 20 0 JJADMO Cc1cc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CCC[N@H+](C)C(C)C)c2ccccc2n1 ZINC001361049787 1066283086 /nfs/dbraw/zinc/28/30/86/1066283086.db2.gz OSIHQCOQJQEYNX-DEOSSOPVSA-N 1 1 464.658 4.783 20 0 JJADMO CC[C@H](C(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1)c1ccc(Br)cc1 ZINC001454450471 1066283574 /nfs/dbraw/zinc/28/35/74/1066283574.db2.gz OVULUMDHUXKDQO-QFIPXVFZSA-N 1 1 452.396 4.835 20 0 JJADMO Cc1cc(-c2nnc(N3CCC(OC(C)C)CC3)n2CCC[N@@H+](C)C(C)C)c2ccccc2n1 ZINC001361049820 1066283680 /nfs/dbraw/zinc/28/36/80/1066283680.db2.gz PKFUAIKTWNJNLU-UHFFFAOYSA-N 1 1 464.658 4.926 20 0 JJADMO O=C(N[C@@H](CCO)c1cc(Cl)cc(Cl)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC001454480610 1066290739 /nfs/dbraw/zinc/29/07/39/1066290739.db2.gz QGRWAXUOKHIGPU-PMACEKPBSA-N 1 1 457.348 4.691 20 0 JJADMO Cc1cc(CN(C)c2nnc(-c3ccc(Br)s3)n2CC[N@H+]2CCCC(C)(C)C2)no1 ZINC001361054666 1066290971 /nfs/dbraw/zinc/29/09/71/1066290971.db2.gz ASMJOFBKSARNCT-UHFFFAOYSA-N 1 1 493.475 4.824 20 0 JJADMO Cc1cccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361056070 1066294968 /nfs/dbraw/zinc/29/49/68/1066294968.db2.gz BEDVADRUWSKIKA-BGYRXZFFSA-N 1 1 483.060 4.826 20 0 JJADMO CC[C@H]1Oc2cc([C@@H](C)NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3CC(C)C)ccc2NC1=O ZINC001361056716 1066297877 /nfs/dbraw/zinc/29/78/77/1066297877.db2.gz AEOSHHQPFPHXHK-UTADQONYSA-N 1 1 463.622 4.768 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC001443353405 1066299260 /nfs/dbraw/zinc/29/92/60/1066299260.db2.gz HEYCGIIAVVMEFY-FCEUIQTBSA-N 1 1 464.050 4.894 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC001443353405 1066299275 /nfs/dbraw/zinc/29/92/75/1066299275.db2.gz HEYCGIIAVVMEFY-FCEUIQTBSA-N 1 1 464.050 4.894 20 0 JJADMO COc1ccc([C@@H]2CN(C(=O)/C=C\c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC[NH2+]2)cc1 ZINC001454588353 1066305332 /nfs/dbraw/zinc/30/53/32/1066305332.db2.gz SPJGQKHXSADHTA-NRUPQRNLSA-N 1 1 458.402 4.919 20 0 JJADMO C[NH+]1CCN([C@@H](CNC(=O)c2cccnc2SCC2CCCCC2)c2cccs2)CC1 ZINC001443436577 1066310679 /nfs/dbraw/zinc/31/06/79/1066310679.db2.gz VDWGINRVAYNGMA-NRFANRHFSA-N 1 1 458.697 4.534 20 0 JJADMO C[NH+](C)CCN1CCC(CNC(=O)c2c(F)cccc2Sc2ccc(Cl)cc2)CC1 ZINC001443459813 1066314415 /nfs/dbraw/zinc/31/44/15/1066314415.db2.gz IVMZSLIQNAZMES-UHFFFAOYSA-N 1 1 450.023 4.634 20 0 JJADMO C[C@]1(c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCc1ccncc1Br ZINC001454646625 1066314511 /nfs/dbraw/zinc/31/45/11/1066314511.db2.gz NHMQVVKLGQRRHQ-RCZVLFRGSA-N 1 1 464.407 4.550 20 0 JJADMO CC(C)(C)OC(=O)N[C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC001454656540 1066316107 /nfs/dbraw/zinc/31/61/07/1066316107.db2.gz OUJDLTHMAWJISL-SFTDATJTSA-N 1 1 450.023 4.600 20 0 JJADMO CC(C)(C)OC(=O)N[C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC001454656540 1066316115 /nfs/dbraw/zinc/31/61/15/1066316115.db2.gz OUJDLTHMAWJISL-SFTDATJTSA-N 1 1 450.023 4.600 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@H](C)C2)n1CC[N@@H+]1CC=CCC1 ZINC001361088103 1066329584 /nfs/dbraw/zinc/32/95/84/1066329584.db2.gz FTNDZOHLLNSJJR-FQEVSTJZSA-N 1 1 458.050 4.750 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@@H](C)C2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001361089000 1066333798 /nfs/dbraw/zinc/33/37/98/1066333798.db2.gz OPHAKLIKNWJTSC-UYAOXDASSA-N 1 1 460.066 4.971 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001361089008 1066334327 /nfs/dbraw/zinc/33/43/27/1066334327.db2.gz OUHZRMJQNDBGMA-FCEUIQTBSA-N 1 1 490.092 4.597 20 0 JJADMO CC[C@]1(C)CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001546065923 1066337367 /nfs/dbraw/zinc/33/73/67/1066337367.db2.gz CFJSBPDYUKDZDQ-PWUYWRBVSA-N 1 1 494.728 4.812 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCOCC3(CCC3)C2)n1CC[N@H+](C)C(C)C ZINC001361091049 1066340502 /nfs/dbraw/zinc/34/05/02/1066340502.db2.gz MBTJOQSDKHHGOL-UHFFFAOYSA-N 1 1 490.092 4.599 20 0 JJADMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c1 ZINC001443649263 1066344436 /nfs/dbraw/zinc/34/44/36/1066344436.db2.gz WVGPNVUDLQTHME-UHFFFAOYSA-N 1 1 451.611 4.750 20 0 JJADMO CN(C(=O)OC(C)(C)C)C1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1 ZINC001443650535 1066344493 /nfs/dbraw/zinc/34/44/93/1066344493.db2.gz JOVLWRIPUSHFFJ-LOSJGSFVSA-N 1 1 469.670 4.783 20 0 JJADMO CC[C@]1(C)CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC[N@@H+](C)CCCOC)C1 ZINC001546066934 1066345696 /nfs/dbraw/zinc/34/56/96/1066345696.db2.gz XZBFMBKZBRFSEM-JOCHJYFZSA-N 1 1 498.897 4.956 20 0 JJADMO C[C@H](Oc1ccc(C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)cc1)c1ccccc1 ZINC001443670648 1066347173 /nfs/dbraw/zinc/34/71/73/1066347173.db2.gz CZQVZFSVPPQATP-QHCPKHFHSA-N 1 1 459.590 4.586 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1cccc(CN=S2(=O)CCCC2)c1 ZINC001455051513 1066355879 /nfs/dbraw/zinc/35/58/79/1066355879.db2.gz ZOTXTOYAYASBKS-ILBGXUMGSA-N 1 1 453.652 4.935 20 0 JJADMO COc1ccc(C2CC2)c(NC(=O)[C@@H](C[N@@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)c1 ZINC001455079030 1066357855 /nfs/dbraw/zinc/35/78/55/1066357855.db2.gz PWTCYBJNFPMMIF-HSZRJFAPSA-N 1 1 453.583 4.536 20 0 JJADMO Cc1cccc(O[C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC001361109633 1066358135 /nfs/dbraw/zinc/35/81/35/1066358135.db2.gz CKDCHEIAZCMOGY-QHCPKHFHSA-N 1 1 476.669 4.596 20 0 JJADMO CC[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1)OC ZINC001545961582 1066361567 /nfs/dbraw/zinc/36/15/67/1066361567.db2.gz YFGHAIVKBJPIML-OAQYLSRUSA-N 1 1 478.479 4.689 20 0 JJADMO Cc1ccccc1[C@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCC[C@H](C)C1 ZINC001443761909 1066363446 /nfs/dbraw/zinc/36/34/46/1066363446.db2.gz REZIVFXKHJBBMZ-NIRIFSCTSA-N 1 1 457.659 4.921 20 0 JJADMO Cc1ccccc1[C@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC001443761913 1066363509 /nfs/dbraw/zinc/36/35/09/1066363509.db2.gz REZIVFXKHJBBMZ-QFZWGZQFSA-N 1 1 457.659 4.921 20 0 JJADMO O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(Br)cc1[O-] ZINC001443763298 1066363735 /nfs/dbraw/zinc/36/37/35/1066363735.db2.gz DFXBTXOZSHYKKJ-UHFFFAOYSA-N 1 1 458.183 4.856 20 0 JJADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC001443795092 1066369663 /nfs/dbraw/zinc/36/96/63/1066369663.db2.gz AKJHVGVLCSCSJK-JOCHJYFZSA-N 1 1 452.986 4.836 20 0 JJADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC001361119299 1066370427 /nfs/dbraw/zinc/37/04/27/1066370427.db2.gz VUNZKYPGFFNOLA-UHFFFAOYSA-N 1 1 459.333 4.933 20 0 JJADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cc1c(C)cc(C)c(Br)c1C ZINC001443809693 1066370707 /nfs/dbraw/zinc/37/07/07/1066370707.db2.gz YJXWNWHROFSPPK-NRFANRHFSA-N 1 1 458.444 4.825 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N(C)Cc3ncc(Cl)n3C)n2CC[N@@H+]2CC=CCC2)c1 ZINC001361123587 1066374360 /nfs/dbraw/zinc/37/43/60/1066374360.db2.gz GPNCGMJPGWQHFF-UHFFFAOYSA-N 1 1 498.075 4.574 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@@H]3CCOC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001361124063 1066376726 /nfs/dbraw/zinc/37/67/26/1066376726.db2.gz VUBOOABLBCWTOT-RPWUZVMVSA-N 1 1 483.701 4.882 20 0 JJADMO O=C(Nc1ccc(OCCc2ccccc2)nc1)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC001443961635 1066388008 /nfs/dbraw/zinc/38/80/08/1066388008.db2.gz HIYGKGIAVBYOFX-QHCPKHFHSA-N 1 1 451.517 4.799 20 0 JJADMO CC[C@@]1(C)CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C1 ZINC001546072588 1066388957 /nfs/dbraw/zinc/38/89/57/1066388957.db2.gz HKOQHGRGSFWPGG-IDISGSTGSA-N 1 1 453.675 4.762 20 0 JJADMO CC[C@@]1(C)CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C1 ZINC001546072588 1066388971 /nfs/dbraw/zinc/38/89/71/1066388971.db2.gz HKOQHGRGSFWPGG-IDISGSTGSA-N 1 1 453.675 4.762 20 0 JJADMO Cc1nnc(CCn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCC[N@H+](C(C)C)CC2)s1 ZINC001361127790 1066389352 /nfs/dbraw/zinc/38/93/52/1066389352.db2.gz OSLFQEYPJAZTML-UHFFFAOYSA-N 1 1 497.713 4.612 20 0 JJADMO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)CCc2ncc(-c3ccc(OC)cc3)o2)CC1 ZINC001455464506 1066394908 /nfs/dbraw/zinc/39/49/08/1066394908.db2.gz KOGOGLAUTPDVBE-HSZRJFAPSA-N 1 1 451.542 4.717 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C)C3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361130806 1066396790 /nfs/dbraw/zinc/39/67/90/1066396790.db2.gz ROCRHPQDNMXUIF-XPWALMASSA-N 1 1 469.674 4.634 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CCC2(C)C)CCCCC1 ZINC001455495704 1066397610 /nfs/dbraw/zinc/39/76/10/1066397610.db2.gz KTOYZJDLTFVXBC-QFIPXVFZSA-N 1 1 457.659 4.973 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCSC[C@H]3C)n2CC[N@H+]2CCC[C@H]2C)c1 ZINC001361131596 1066400000 /nfs/dbraw/zinc/40/00/00/1066400000.db2.gz LUAOXWXCLWQMFP-NHCUHLMSSA-N 1 1 457.688 4.715 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCSC[C@H]3C)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001361131595 1066400106 /nfs/dbraw/zinc/40/01/06/1066400106.db2.gz LUAOXWXCLWQMFP-LEWJYISDSA-N 1 1 457.688 4.715 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001361131787 1066400671 /nfs/dbraw/zinc/40/06/71/1066400671.db2.gz QEIPBTPFGPOSCM-USZFVNFHSA-N 1 1 497.728 4.864 20 0 JJADMO Cc1ccc([C@@H](Cn2c(N3CCC(CCCN4CCOCC4)CC3)nnc2C(C)(C)C)[NH+](C)C)cc1 ZINC001361140784 1066418775 /nfs/dbraw/zinc/41/87/75/1066418775.db2.gz GTQWYTOFLDHHAE-AREMUKBSSA-N 1 1 496.744 4.516 20 0 JJADMO CC[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(C)C)CC1)[NH+]1CCCC1 ZINC001545965328 1066420945 /nfs/dbraw/zinc/42/09/45/1066420945.db2.gz VPXAUIZDKVFRFO-IBGZPJMESA-N 1 1 465.473 4.657 20 0 JJADMO O=C(NCc1cc(C(F)(F)F)ccc1Br)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC001455652345 1066420968 /nfs/dbraw/zinc/42/09/68/1066420968.db2.gz VIIZPPRJWLTWBN-GOSISDBHSA-N 1 1 459.281 4.888 20 0 JJADMO O=C(NCc1cc(C(F)(F)F)ccc1Br)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC001455652345 1066420974 /nfs/dbraw/zinc/42/09/74/1066420974.db2.gz VIIZPPRJWLTWBN-GOSISDBHSA-N 1 1 459.281 4.888 20 0 JJADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CCc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC001444164940 1066423572 /nfs/dbraw/zinc/42/35/72/1066423572.db2.gz HRVBPHNKINHPQX-MSOLQXFVSA-N 1 1 450.649 4.536 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@H]2CC=CCC2)c1 ZINC001361146031 1066431779 /nfs/dbraw/zinc/43/17/79/1066431779.db2.gz PIAGVNPHELYGEN-DEOSSOPVSA-N 1 1 481.685 4.625 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC001444247151 1066433922 /nfs/dbraw/zinc/43/39/22/1066433922.db2.gz IELWTZQWAUIZDT-URVUXULASA-N 1 1 458.647 4.693 20 0 JJADMO Cc1ccc(Br)nc1C(=O)Nc1ccc(C[N@@H+](C)CCOc2ccccc2)cc1 ZINC001455809664 1066435145 /nfs/dbraw/zinc/43/51/45/1066435145.db2.gz FIJUHIYNGQEFOF-UHFFFAOYSA-N 1 1 454.368 4.916 20 0 JJADMO C[N@@H+](CCOc1ccccc1)Cc1ccc(NC(=O)[C@H]2CCCCN2Cc2cccnc2)cc1 ZINC001455812548 1066435838 /nfs/dbraw/zinc/43/58/38/1066435838.db2.gz WTXJSFLCTNMJJN-HHHXNRCGSA-N 1 1 458.606 4.586 20 0 JJADMO Cn1ccc(Nc2ccc(C(=O)Nc3ccc(C[N@@H+](C)CCOc4ccccc4)cc3)cc2)n1 ZINC001455812885 1066436782 /nfs/dbraw/zinc/43/67/82/1066436782.db2.gz ZQVJQUJCEIYRRH-UHFFFAOYSA-N 1 1 455.562 4.927 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)CCOC(C)(C)C)n2C[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC001361149775 1066440911 /nfs/dbraw/zinc/44/09/11/1066440911.db2.gz ZVCOOYQXKAXJEU-HSZRJFAPSA-N 1 1 469.674 4.742 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361151311 1066442590 /nfs/dbraw/zinc/44/25/90/1066442590.db2.gz GZWNYUFIIZFKAB-DVKRWUGUSA-N 1 1 483.701 4.844 20 0 JJADMO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)CC[N@H+]1Cc1ccccc1 ZINC001444292840 1066443910 /nfs/dbraw/zinc/44/39/10/1066443910.db2.gz HGUGYANGLPIGHF-RXVVDRJESA-N 1 1 453.583 4.864 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001361151934 1066444620 /nfs/dbraw/zinc/44/46/20/1066444620.db2.gz GLDWRUZDJGKJDG-DNQXCXABSA-N 1 1 483.701 4.703 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC001361153349 1066449131 /nfs/dbraw/zinc/44/91/31/1066449131.db2.gz XZBHOJJWDZQDPB-ZEQRLZLVSA-N 1 1 483.701 4.847 20 0 JJADMO CCc1ccc(CN2CCN(C(=O)c3ccccc3OCC[N@H+]3CCCC[C@H]3C)CC2)s1 ZINC001444346088 1066452506 /nfs/dbraw/zinc/45/25/06/1066452506.db2.gz KEERYUCDKMDYEH-OAQYLSRUSA-N 1 1 455.668 4.522 20 0 JJADMO C[C@H](NC(=O)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1)[C@@H]1C[N@@H+](C)CCN1C ZINC001444401641 1066458170 /nfs/dbraw/zinc/45/81/70/1066458170.db2.gz DIPMSLRSKNSSMW-ZRCAFCQKSA-N 1 1 452.451 4.577 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H]2CCSC2(C)C)c1 ZINC001361158937 1066461964 /nfs/dbraw/zinc/46/19/64/1066461964.db2.gz JCOKQJYIHGGELY-JOCHJYFZSA-N 1 1 471.715 4.926 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCO[C@@H]2CCCC[C@@H]2C)c1 ZINC001361159232 1066464025 /nfs/dbraw/zinc/46/40/25/1066464025.db2.gz SXPAOIOWPQIODV-UKILVPOCSA-N 1 1 483.701 4.990 20 0 JJADMO COc1cc(CN(C)C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c(SC)cc1OC ZINC001444490632 1066466888 /nfs/dbraw/zinc/46/68/88/1066466888.db2.gz SGTJFHLITMTBHI-NRFANRHFSA-N 1 1 454.636 4.686 20 0 JJADMO Cc1cccc(CN2CCCC[C@H]2C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)c1 ZINC001455987709 1066467182 /nfs/dbraw/zinc/46/71/82/1066467182.db2.gz UQODKSMOTSIPAO-SANMLTNESA-N 1 1 452.618 4.658 20 0 JJADMO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc3nc(N4CC[NH+](C)CC4)sc3c2)c1 ZINC001455991799 1066468429 /nfs/dbraw/zinc/46/84/29/1066468429.db2.gz QQICZZXDKYOJJJ-GOSISDBHSA-N 1 1 452.624 4.886 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCS[C@@H](C)C3)n2CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001361162400 1066470133 /nfs/dbraw/zinc/47/01/33/1066470133.db2.gz BFKXXJGWWMNVBC-GMAHTHKFSA-N 1 1 471.715 4.928 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2CC[N@@H+](C)C2CCCCC2)c1 ZINC001361163115 1066472045 /nfs/dbraw/zinc/47/20/45/1066472045.db2.gz VEMFMNILWMVDAJ-RUZDIDTESA-N 1 1 469.674 4.600 20 0 JJADMO Cc1ccc([C@@]2(O)CCN(c3nnc(C(C)C)n3CCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)C2)cc1 ZINC001361166456 1066477752 /nfs/dbraw/zinc/47/77/52/1066477752.db2.gz VCLBVCDSDZKTQH-QSEAXJEQSA-N 1 1 453.675 4.566 20 0 JJADMO Cc1ccc(-c2nc(CCn3c(CC(C)(C)C)nnc3N3CCC[N@H+](C(C)C)CC3)co2)cc1 ZINC001361167122 1066480021 /nfs/dbraw/zinc/48/00/21/1066480021.db2.gz HSPUFTZTCMTPBK-UHFFFAOYSA-N 1 1 464.658 4.993 20 0 JJADMO CC(C)(C)OC(=O)Nc1cccc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)n1 ZINC001456030790 1066482820 /nfs/dbraw/zinc/48/28/20/1066482820.db2.gz KJVKGIDEYVYEQK-IBGZPJMESA-N 1 1 458.990 4.867 20 0 JJADMO CC(C)(C)OC(=O)Nc1cccc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)n1 ZINC001456030790 1066482828 /nfs/dbraw/zinc/48/28/28/1066482828.db2.gz KJVKGIDEYVYEQK-IBGZPJMESA-N 1 1 458.990 4.867 20 0 JJADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(I)c(Cl)cc2Cl)C[C@@H]1C ZINC001444614206 1066483686 /nfs/dbraw/zinc/48/36/86/1066483686.db2.gz INYKWMMYXQMONO-WDEREUQCSA-N 1 1 455.167 4.543 20 0 JJADMO Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccccc3C)n2CCC[N@H+]2CCCO[C@@H](C)C2)o1 ZINC001361169717 1066484111 /nfs/dbraw/zinc/48/41/11/1066484111.db2.gz JIZAVPSEYRUFOX-VXKWHMMOSA-N 1 1 451.615 4.853 20 0 JJADMO Cc1ccc(-c2nnc(N(C)[C@@H]3CCOC3)n2CCC[N@@H+]2CCCC[C@H]2C)cc1Br ZINC001361174468 1066491201 /nfs/dbraw/zinc/49/12/01/1066491201.db2.gz RRNFLDDTUJKDFI-UYAOXDASSA-N 1 1 476.463 4.506 20 0 JJADMO COC(=O)C[C@H](NC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccc(C(C)(C)C)cc1 ZINC001444692830 1066493964 /nfs/dbraw/zinc/49/39/64/1066493964.db2.gz XJOHLXKIRQQWPR-ZCYQVOJMSA-N 1 1 450.623 4.659 20 0 JJADMO CC[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCC[N@H+](C2CCCC2)CC1)OC ZINC001545968734 1066495794 /nfs/dbraw/zinc/49/57/94/1066495794.db2.gz KQTGUDOYUSYSIL-IBGZPJMESA-N 1 1 476.463 4.587 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCC(F)F)n2CC[N@@H+](C)C2CCCC2)cc1Br ZINC001361184394 1066507080 /nfs/dbraw/zinc/50/70/80/1066507080.db2.gz IWTNUECMMDXYLB-UHFFFAOYSA-N 1 1 470.406 4.982 20 0 JJADMO Cc1ccc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2CC[N@@H+]2CCC[C@@H]2C)cc1Br ZINC001361184529 1066507728 /nfs/dbraw/zinc/50/77/28/1066507728.db2.gz MFRUCJMCLYQBQK-ICSRJNTNSA-N 1 1 476.463 4.506 20 0 JJADMO CC[C@]1(C)CCN(c2nnc(CSc3ccccc3OC)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546079357 1066508403 /nfs/dbraw/zinc/50/84/03/1066508403.db2.gz KMQKHMZDGMUPBD-YZIHRLCOSA-N 1 1 487.714 4.705 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCOCc3ccccc3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)o1 ZINC001361190275 1066515517 /nfs/dbraw/zinc/51/55/17/1066515517.db2.gz HJDCAEZSEYRFNZ-LEWJYISDSA-N 1 1 451.615 4.620 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCOCc3ccccc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)o1 ZINC001361190279 1066515585 /nfs/dbraw/zinc/51/55/85/1066515585.db2.gz HJDCAEZSEYRFNZ-RTWAWAEBSA-N 1 1 451.615 4.620 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCOCc3ccccc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)o1 ZINC001361190281 1066515770 /nfs/dbraw/zinc/51/57/70/1066515770.db2.gz HJDCAEZSEYRFNZ-SFTDATJTSA-N 1 1 451.615 4.620 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCOc3ccccc3C)n2CCC[N@@H+]2CCCC[C@@H]2C)o1 ZINC001361190836 1066516057 /nfs/dbraw/zinc/51/60/57/1066516057.db2.gz VAEOSSQDHKVSTG-NRFANRHFSA-N 1 1 451.615 4.935 20 0 JJADMO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)CC1 ZINC001361193578 1066520141 /nfs/dbraw/zinc/52/01/41/1066520141.db2.gz WUYJVBMHMRUMMG-HXUWFJFHSA-N 1 1 458.393 4.792 20 0 JJADMO COC(=O)Nc1cc(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)cc(C(F)(F)F)c1 ZINC001456155996 1066524984 /nfs/dbraw/zinc/52/49/84/1066524984.db2.gz LHFCEUAYWRHQTP-CQSZACIVSA-N 1 1 451.445 4.529 20 0 JJADMO C[C@@H](c1ccc(NC(=O)[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)cc1)[NH+]1CCOCC1 ZINC001456155787 1066525247 /nfs/dbraw/zinc/52/52/47/1066525247.db2.gz KBRWXZDUOZDISD-CVDCTZTESA-N 1 1 459.631 4.882 20 0 JJADMO Cc1ccc(-c2nnc(N3C[C@H]4CCC[N@H+]4C[C@H]3C)n2CCCOCC(C)C)cc1Br ZINC001361198183 1066526792 /nfs/dbraw/zinc/52/67/92/1066526792.db2.gz LAFRHOLXPXODGJ-TZIWHRDSSA-N 1 1 490.490 4.752 20 0 JJADMO C[N@H+]1C[C@@H](NC(=O)CCc2c3cc(Br)ccc3[nH]c2-c2ccccc2)C(C)(C)C1 ZINC001456173168 1066528514 /nfs/dbraw/zinc/52/85/14/1066528514.db2.gz GQIXJQCHECTJTE-OAQYLSRUSA-N 1 1 454.412 4.986 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2CC[N@@H+]2CCC[C@@H]2C)o1 ZINC001361199997 1066529573 /nfs/dbraw/zinc/52/95/73/1066529573.db2.gz KZRZECXGWSMGPH-ZDUSSCGKSA-N 1 1 465.442 4.652 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[C@H](C)[C@@H]3C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC001361201877 1066531903 /nfs/dbraw/zinc/53/19/03/1066531903.db2.gz JGTLGERFRRNDQE-FFGOWVMKSA-N 1 1 490.490 4.750 20 0 JJADMO CC[C@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CCO1 ZINC001546080821 1066540888 /nfs/dbraw/zinc/54/08/88/1066540888.db2.gz BXMMXCRQFJSGGI-QDPGVEIFSA-N 1 1 496.700 4.521 20 0 JJADMO CC[C@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CCO1 ZINC001546080820 1066540908 /nfs/dbraw/zinc/54/09/08/1066540908.db2.gz BXMMXCRQFJSGGI-NEKDWFFYSA-N 1 1 496.700 4.521 20 0 JJADMO Cc1ccc(-c2nnc(N3CCCC3(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)cc1Br ZINC001361214511 1066550679 /nfs/dbraw/zinc/55/06/79/1066550679.db2.gz QVRRVRAGRFOWIB-UHFFFAOYSA-N 1 1 476.463 4.506 20 0 JJADMO Cc1ccc(-c2nnc(N3CCCC3(C)C)n2CC[N@H+]2CCOC(C)(C)C2)cc1Br ZINC001361214511 1066550694 /nfs/dbraw/zinc/55/06/94/1066550694.db2.gz QVRRVRAGRFOWIB-UHFFFAOYSA-N 1 1 476.463 4.506 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCCNc2ccc(C(F)(F)F)cn2)o1 ZINC001361218216 1066554602 /nfs/dbraw/zinc/55/46/02/1066554602.db2.gz PXZOZHGSAQCJHA-UHFFFAOYSA-N 1 1 491.562 4.683 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCCCCCO)cc1Br ZINC001361218951 1066555778 /nfs/dbraw/zinc/55/57/78/1066555778.db2.gz YADXUAMYNCGGMS-UHFFFAOYSA-N 1 1 492.506 4.879 20 0 JJADMO COc1cc(C)c(C(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1OC ZINC001361220452 1066557206 /nfs/dbraw/zinc/55/72/06/1066557206.db2.gz QSACNWHPXATHQY-IBGZPJMESA-N 1 1 450.501 4.539 20 0 JJADMO COc1ccc2cc(C(=O)N(C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC(F)(F)F)cnc2c1 ZINC001361220292 1066557474 /nfs/dbraw/zinc/55/74/74/1066557474.db2.gz LTCLGPHKBBVIEF-LJQANCHMSA-N 1 1 457.496 4.770 20 0 JJADMO Cc1ccc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CCC[N@H+](C)C(C)C)cc1Br ZINC001361227576 1066566181 /nfs/dbraw/zinc/56/61/81/1066566181.db2.gz QGDKCBJBBJFZFG-NRFANRHFSA-N 1 1 492.506 4.998 20 0 JJADMO Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](c4ccc(F)cc4)C3)n2CCC[N@H+](C)C(C)C)o1 ZINC001361232630 1066573367 /nfs/dbraw/zinc/57/33/67/1066573367.db2.gz RKTZUZFYGFFPRK-AUSIDOKSSA-N 1 1 455.578 4.682 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001445516170 1066579859 /nfs/dbraw/zinc/57/98/59/1066579859.db2.gz NDBVQUPIUQNZMO-PABCKOPISA-N 1 1 459.675 4.931 20 0 JJADMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)C1 ZINC001456424266 1066581873 /nfs/dbraw/zinc/58/18/73/1066581873.db2.gz CJWPZDUABSHPBN-VWLOTQADSA-N 1 1 456.537 4.961 20 0 JJADMO Cc1ccc([C@@H]2OCCC[C@H]2Cn2c(CC(C)(C)C)nnc2N2CC[NH+](CCOC(C)C)CC2)cc1 ZINC001361240938 1066582596 /nfs/dbraw/zinc/58/25/96/1066582596.db2.gz ZCSJWZZWWCPNKW-BDYUSTAISA-N 1 1 497.728 4.890 20 0 JJADMO Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001456484589 1066595746 /nfs/dbraw/zinc/59/57/46/1066595746.db2.gz KFSZUWIVGSQXKF-LJQANCHMSA-N 1 1 451.014 4.726 20 0 JJADMO Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001456484589 1066595757 /nfs/dbraw/zinc/59/57/57/1066595757.db2.gz KFSZUWIVGSQXKF-LJQANCHMSA-N 1 1 451.014 4.726 20 0 JJADMO O=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001445631106 1066596328 /nfs/dbraw/zinc/59/63/28/1066596328.db2.gz NZMKTHOWVGQTMN-OAQYLSRUSA-N 1 1 450.411 4.748 20 0 JJADMO Cc1ccc(CN(C)c2nnc(-c3ccccc3Br)n2CC[N@@H+]2CC=CCC2)s1 ZINC001361251412 1066598875 /nfs/dbraw/zinc/59/88/75/1066598875.db2.gz QXMZLTLXFWTRMM-UHFFFAOYSA-N 1 1 472.456 4.976 20 0 JJADMO Cc1ccc(CN(C)c2nnc(-c3cnn(C)c3)n2Cc2ccccc2C[N@H+](C)C(C)C)s1 ZINC001361252629 1066599992 /nfs/dbraw/zinc/59/99/92/1066599992.db2.gz OYOYRRWLAWKMRX-UHFFFAOYSA-N 1 1 463.655 4.573 20 0 JJADMO Cc1ccc(CN(C)c2nnc(CC(C)C)n2Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)s1 ZINC001361258052 1066606930 /nfs/dbraw/zinc/60/69/30/1066606930.db2.gz NCSLDIRMXRAHSV-HXUWFJFHSA-N 1 1 467.683 4.752 20 0 JJADMO Cc1ccc(CN(C)c2nnc(CC(C)C)n2Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)s1 ZINC001361258052 1066606937 /nfs/dbraw/zinc/60/69/37/1066606937.db2.gz NCSLDIRMXRAHSV-HXUWFJFHSA-N 1 1 467.683 4.752 20 0 JJADMO Cc1ccc(CN(C)c2nnc(CC(C)C)n2Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)s1 ZINC001361258051 1066607017 /nfs/dbraw/zinc/60/70/17/1066607017.db2.gz NCSLDIRMXRAHSV-FQEVSTJZSA-N 1 1 467.683 4.752 20 0 JJADMO Cc1ccc(CN(C)c2nnc(CC(C)C)n2Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)s1 ZINC001361258051 1066607025 /nfs/dbraw/zinc/60/70/25/1066607025.db2.gz NCSLDIRMXRAHSV-FQEVSTJZSA-N 1 1 467.683 4.752 20 0 JJADMO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N[C@H]2CCN(c3ccccc3Br)C2)c1 ZINC001456512569 1066607659 /nfs/dbraw/zinc/60/76/59/1066607659.db2.gz XOQKWAQVDQHRTF-NZQKXSOJSA-N 1 1 456.428 4.507 20 0 JJADMO Cc1cccc(-n2ncc(C(=O)N3CCC[N@H+](Cc4ccccc4)C[C@@H]3C)c2C(F)(F)F)c1 ZINC001456544602 1066620574 /nfs/dbraw/zinc/62/05/74/1066620574.db2.gz CFZZPOZEOYNEGB-IBGZPJMESA-N 1 1 456.512 4.936 20 0 JJADMO C[C@@H]1C[C@H](N(C)C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)CC[N@H+]1Cc1ccccc1 ZINC001456553937 1066623685 /nfs/dbraw/zinc/62/36/85/1066623685.db2.gz QQSQWQONPIFDEH-XMSQKQJNSA-N 1 1 452.986 4.834 20 0 JJADMO C[C@@H]1C[C@@H](N(C)C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)CC[N@H+]1Cc1ccccc1 ZINC001456553921 1066623938 /nfs/dbraw/zinc/62/39/38/1066623938.db2.gz QQSQWQONPIFDEH-GCJKJVERSA-N 1 1 452.986 4.834 20 0 JJADMO O=C(Nc1ccc(I)c(Cl)c1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001456619889 1066647047 /nfs/dbraw/zinc/64/70/47/1066647047.db2.gz VFAXMKHZUTTWPO-SFHVURJKSA-N 1 1 454.739 4.938 20 0 JJADMO O=C(Nc1ccc(I)c(Cl)c1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001456619889 1066647054 /nfs/dbraw/zinc/64/70/54/1066647054.db2.gz VFAXMKHZUTTWPO-SFHVURJKSA-N 1 1 454.739 4.938 20 0 JJADMO Cc1ccccc1O[C@H](C)Cn1c(CC(C)C)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001492598513 1066647852 /nfs/dbraw/zinc/64/78/52/1066647852.db2.gz NSVPQUWSTASDGZ-TZRRMPRUSA-N 1 1 483.701 4.578 20 0 JJADMO Cc1ccccc1OCCN(C)c1nnc([C@@H]2CCCCO2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492602551 1066658275 /nfs/dbraw/zinc/65/82/75/1066658275.db2.gz UVHCERJSPMOPEZ-FBLLAGFSSA-N 1 1 469.674 4.711 20 0 JJADMO Cc1ccccc1[C@H]1C[C@H](n2c(CC(C)C)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001492603505 1066660100 /nfs/dbraw/zinc/66/01/00/1066660100.db2.gz OXTUBDDEVUWQRU-YHBQERECSA-N 1 1 453.675 4.698 20 0 JJADMO Cc1cccnc1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001492606302 1066663735 /nfs/dbraw/zinc/66/37/35/1066663735.db2.gz AWLPQTSQAUVEJO-UHFFFAOYSA-N 1 1 453.034 4.585 20 0 JJADMO CN(CCC(=O)OC(C)(C)C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001446149615 1066666673 /nfs/dbraw/zinc/66/66/73/1066666673.db2.gz PSKPVEOFQWFFBP-XZOQPEGZSA-N 1 1 457.014 4.746 20 0 JJADMO Cc1ccnc(OC2CCN(c3nnc(CC(C)C)n3CCC[N@@H+](C)C3CCCCC3)CC2)c1 ZINC001492607895 1066667768 /nfs/dbraw/zinc/66/77/68/1066667768.db2.gz JGLIVQFTGXBBGI-UHFFFAOYSA-N 1 1 468.690 4.882 20 0 JJADMO Cc1c(Br)c2ccccc2n1CC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC001446175917 1066668853 /nfs/dbraw/zinc/66/88/53/1066668853.db2.gz PSANRLBVSSLUFI-ZWKOTPCHSA-N 1 1 454.412 4.834 20 0 JJADMO C[N@@H+]1CC[C@@H](NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)[C@H]1c1ccc(F)cc1 ZINC001446186400 1066670443 /nfs/dbraw/zinc/67/04/43/1066670443.db2.gz DZPOXOSIHUMSNS-NFBKMPQASA-N 1 1 459.974 4.619 20 0 JJADMO C[N@H+]1CC[C@@H](NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)[C@H]1c1ccc(F)cc1 ZINC001446186400 1066670451 /nfs/dbraw/zinc/67/04/51/1066670451.db2.gz DZPOXOSIHUMSNS-NFBKMPQASA-N 1 1 459.974 4.619 20 0 JJADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)[C@@H](C)C1 ZINC001456707755 1066671458 /nfs/dbraw/zinc/67/14/58/1066671458.db2.gz UFRKRMOMVZNQHM-KKSFZXQISA-N 1 1 458.400 4.504 20 0 JJADMO C[N@@H+]1CC[C@H](NC(=O)COc2ccc3cc(Br)ccc3c2)[C@H]1c1ccc(F)cc1 ZINC001446190514 1066672530 /nfs/dbraw/zinc/67/25/30/1066672530.db2.gz KCYDSBNBTLBQIW-JTHBVZDNSA-N 1 1 457.343 4.682 20 0 JJADMO C[N@H+]1CC[C@H](NC(=O)COc2ccc3cc(Br)ccc3c2)[C@H]1c1ccc(F)cc1 ZINC001446190514 1066672535 /nfs/dbraw/zinc/67/25/35/1066672535.db2.gz KCYDSBNBTLBQIW-JTHBVZDNSA-N 1 1 457.343 4.682 20 0 JJADMO CC[C@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)NC(=O)OC(C)(C)C ZINC001545983185 1066675734 /nfs/dbraw/zinc/67/57/34/1066675734.db2.gz YKACWYRHGGMCIR-JAXLGGSGSA-N 1 1 474.694 4.550 20 0 JJADMO CC[C@H](Cn1c(C2CC2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001545982713 1066675764 /nfs/dbraw/zinc/67/57/64/1066675764.db2.gz QEBWKFFRIGCEOC-NFBKMPQASA-N 1 1 482.673 4.560 20 0 JJADMO CC1=CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001492613705 1066677023 /nfs/dbraw/zinc/67/70/23/1066677023.db2.gz GAYKDSOJQBELAS-ACIOBRDBSA-N 1 1 486.705 4.717 20 0 JJADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001456737074 1066678312 /nfs/dbraw/zinc/67/83/12/1066678312.db2.gz OOEGNEKKBKLHDJ-RPWUZVMVSA-N 1 1 457.659 4.784 20 0 JJADMO CC1=CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001492614154 1066678407 /nfs/dbraw/zinc/67/84/07/1066678407.db2.gz WFNJUHVDTNEJOU-LJQANCHMSA-N 1 1 494.467 4.821 20 0 JJADMO C[C@@H]1C[C@H](CCNC(=O)/C=C\[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C[N@H+]1Cc1ccccc1 ZINC001446259329 1066680414 /nfs/dbraw/zinc/68/04/14/1066680414.db2.gz NQSIOBQCUVCEAC-PKBBIFGXSA-N 1 1 455.643 4.607 20 0 JJADMO Cc1noc(C)c1COc1ccc(CC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC001456769970 1066684511 /nfs/dbraw/zinc/68/45/11/1066684511.db2.gz IRYGEFCEVLTZJL-CJFMBICVSA-N 1 1 453.608 4.674 20 0 JJADMO COc1cc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)ccc1OCc1cscn1 ZINC001456771736 1066686149 /nfs/dbraw/zinc/68/61/49/1066686149.db2.gz OHCQZPKORCJOAR-VGSWGCGISA-N 1 1 457.621 4.605 20 0 JJADMO C[N@H+]1CCC[C@@H](CNC(=O)C2(c3cc(F)cc(Br)c3)CC2)[C@H]1c1cccs1 ZINC001456775062 1066687948 /nfs/dbraw/zinc/68/79/48/1066687948.db2.gz YJVLFRTWHYVGQB-LIRRHRJNSA-N 1 1 451.405 4.881 20 0 JJADMO CC1=CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001492620136 1066689352 /nfs/dbraw/zinc/68/93/52/1066689352.db2.gz XFSMXNBGUDCZKZ-QFIPXVFZSA-N 1 1 472.678 4.771 20 0 JJADMO Cc1cnn(CC2CCN(c3nnc(CC(C)C)n3CCC[N@@H+](C)C3CCCCC3)CC2)c1 ZINC001492622403 1066694304 /nfs/dbraw/zinc/69/43/04/1066694304.db2.gz MGZLUELGTKSJKA-UHFFFAOYSA-N 1 1 455.695 4.553 20 0 JJADMO Cc1cnn(CC2CCN(c3nnc(C(C)(C)C)n3CCCC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC001492622837 1066694716 /nfs/dbraw/zinc/69/47/16/1066694716.db2.gz STZPVVBIYIPCMJ-QFIPXVFZSA-N 1 1 455.695 4.652 20 0 JJADMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2sc(C(C)(C)c3ccccc3)nc2C)CC1 ZINC001446357821 1066695543 /nfs/dbraw/zinc/69/55/43/1066695543.db2.gz XRLLOWQBWDQPSW-UHFFFAOYSA-N 1 1 457.684 4.988 20 0 JJADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC001456816218 1066700036 /nfs/dbraw/zinc/70/00/36/1066700036.db2.gz FCMFQHIBFUFXHU-VQTJNVASSA-N 1 1 453.974 4.713 20 0 JJADMO O=C(NCCc1cc(Cl)ccc1Br)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001446390243 1066700860 /nfs/dbraw/zinc/70/08/60/1066700860.db2.gz IPOFHRIPGZDJHU-HXUWFJFHSA-N 1 1 453.783 4.955 20 0 JJADMO O=C(NCCc1cc(Cl)ccc1Br)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001446390243 1066700869 /nfs/dbraw/zinc/70/08/69/1066700869.db2.gz IPOFHRIPGZDJHU-HXUWFJFHSA-N 1 1 453.783 4.955 20 0 JJADMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001446516480 1066713671 /nfs/dbraw/zinc/71/36/71/1066713671.db2.gz SMNVOMPBBKETEZ-NAMDQGSHSA-N 1 1 472.674 4.532 20 0 JJADMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001446516480 1066713681 /nfs/dbraw/zinc/71/36/81/1066713681.db2.gz SMNVOMPBBKETEZ-NAMDQGSHSA-N 1 1 472.674 4.532 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCCCC[C@@H]3C[C@H](O)c3ccccc3)cc2)C[C@H](C)O1 ZINC001446553581 1066720498 /nfs/dbraw/zinc/72/04/98/1066720498.db2.gz KXIZCDHWNDACHN-IMIIGWPFSA-N 1 1 450.623 4.804 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCCCC[C@@H]3C[C@H](O)c3ccccc3)cc2)C[C@H](C)O1 ZINC001446553581 1066720507 /nfs/dbraw/zinc/72/05/07/1066720507.db2.gz KXIZCDHWNDACHN-IMIIGWPFSA-N 1 1 450.623 4.804 20 0 JJADMO Cc1csc([C@@H]2CN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CC[N@H+](C)C(C)C)CCO2)n1 ZINC001492641516 1066734330 /nfs/dbraw/zinc/73/43/30/1066734330.db2.gz MACWQPIRJGRKPJ-QFIPXVFZSA-N 1 1 482.698 4.926 20 0 JJADMO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)CC1 ZINC001456977461 1066734489 /nfs/dbraw/zinc/73/44/89/1066734489.db2.gz GTUNURRWOMDONJ-LJQANCHMSA-N 1 1 459.928 4.767 20 0 JJADMO Cc1csc([C@@H]2CN(c3nnc(-c4ccccc4Cl)n3CCC[N@H+](C)C(C)C)CCO2)n1 ZINC001492641600 1066734829 /nfs/dbraw/zinc/73/48/29/1066734829.db2.gz MVCAJGLQQYHVHN-FQEVSTJZSA-N 1 1 475.062 4.672 20 0 JJADMO O=C(CCCOc1ccccc1F)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456980266 1066734880 /nfs/dbraw/zinc/73/48/80/1066734880.db2.gz CYPPYBCOAXYVNV-HXUWFJFHSA-N 1 1 452.492 4.898 20 0 JJADMO Cc1csc([C@@H]2CCCN(c3nnc(C(C)(C)C)n3CC[N@H+](C)Cc3ccc(F)cc3)C2)n1 ZINC001492641948 1066735317 /nfs/dbraw/zinc/73/53/17/1066735317.db2.gz KWSWWFDQOLMNPK-HXUWFJFHSA-N 1 1 470.662 4.996 20 0 JJADMO Cc1csc(CCCCn2c(Cc3csc(C)n3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)n1 ZINC001492643586 1066739719 /nfs/dbraw/zinc/73/97/19/1066739719.db2.gz NEWTVKSOLJLBHC-UHFFFAOYSA-N 1 1 487.743 4.732 20 0 JJADMO CCC[C@@H]1CN(C(=O)/C=C\[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001446813934 1066744089 /nfs/dbraw/zinc/74/40/89/1066744089.db2.gz JQCMYLVUXBIQKH-BCWBWYQASA-N 1 1 455.643 4.703 20 0 JJADMO CC(C)[N@H+](Cc1ccc(NC(=O)c2cnn3c2N[C@H](C)C[C@@H]3C(F)F)cc1)C[C@H]1CCCCO1 ZINC001446832495 1066746274 /nfs/dbraw/zinc/74/62/74/1066746274.db2.gz FSECRTHKQNGXDN-NQSCKRDGSA-N 1 1 475.584 4.925 20 0 JJADMO Cc1csc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC001492645496 1066746372 /nfs/dbraw/zinc/74/63/72/1066746372.db2.gz XXOKGBTVJWQHDM-LJQANCHMSA-N 1 1 466.655 4.636 20 0 JJADMO CC(C)[N@H+](Cc1ccc(NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)cc1)C[C@@H]1CCCCO1 ZINC001446836244 1066746844 /nfs/dbraw/zinc/74/68/44/1066746844.db2.gz NAVFQESFBWWDNA-ZWKOTPCHSA-N 1 1 451.822 4.526 20 0 JJADMO Cc1csc(CN(C)c2nnc(-c3ccc(Cl)cc3)n2CC2CCN(CC[NH+](C)C)CC2)c1 ZINC001492645700 1066746893 /nfs/dbraw/zinc/74/68/93/1066746893.db2.gz FXLAIWYAAKXNIE-UHFFFAOYSA-N 1 1 487.117 4.878 20 0 JJADMO COc1ccccc1O[C@H](C)CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001457028767 1066747841 /nfs/dbraw/zinc/74/78/41/1066747841.db2.gz OZIIZIRWEGVUEM-ZSQFBXSQSA-N 1 1 458.602 4.803 20 0 JJADMO C[C@H]1C[NH+](Cc2ccc(C(=O)NC(C)(C)Cc3cccc(Br)c3)cc2)C[C@H](C)O1 ZINC001457089001 1066759161 /nfs/dbraw/zinc/75/91/61/1066759161.db2.gz FILDTZTZRYOYPZ-ROUUACIJSA-N 1 1 459.428 4.809 20 0 JJADMO Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001457094945 1066760255 /nfs/dbraw/zinc/76/02/55/1066760255.db2.gz LCZZHECKPAPKGO-UUOWRZLLSA-N 1 1 451.014 4.842 20 0 JJADMO C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001457103078 1066763098 /nfs/dbraw/zinc/76/30/98/1066763098.db2.gz RNJDZKMDPBYNDH-SKPFHBQLSA-N 1 1 451.611 4.913 20 0 JJADMO Cc1nc(C)c(CCn2c(-c3ccccc3F)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)s1 ZINC001492654769 1066764833 /nfs/dbraw/zinc/76/48/33/1066764833.db2.gz BMXNKCCZBKRLRY-UHFFFAOYSA-N 1 1 470.662 4.957 20 0 JJADMO C[N@@H+](CCCOc1ccccc1CNC(=O)Cc1ccc(Br)cc1)C1CCCC1 ZINC001457160921 1066776482 /nfs/dbraw/zinc/77/64/82/1066776482.db2.gz FVBISOOPEXWBKB-UHFFFAOYSA-N 1 1 459.428 4.951 20 0 JJADMO CC(C)N1CC[NH+](C2CCN(C(=O)c3ccccc3NCc3ccccc3Cl)CC2)CC1 ZINC001447251512 1066785082 /nfs/dbraw/zinc/78/50/82/1066785082.db2.gz LRTYZAPVVWMKBR-UHFFFAOYSA-N 1 1 455.046 4.583 20 0 JJADMO Cc1nc(Cc2nnc(N(C)Cc3ccccn3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)cs1 ZINC001492665448 1066786788 /nfs/dbraw/zinc/78/67/88/1066786788.db2.gz IYAQXOROOQWCSU-QFIPXVFZSA-N 1 1 482.057 4.622 20 0 JJADMO CC(C)c1ncc(OCc2ccccc2)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001457231295 1066795370 /nfs/dbraw/zinc/79/53/70/1066795370.db2.gz STFCERQGXVIEQJ-XUZZJYLKSA-N 1 1 458.606 4.962 20 0 JJADMO C[C@](O)(CNC(=O)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1)c1cccc(Cl)c1 ZINC001447460529 1066812120 /nfs/dbraw/zinc/81/21/20/1066812120.db2.gz ZGISECWSYHBVMH-RSXGOPAZSA-N 1 1 454.973 4.704 20 0 JJADMO C[C@@](O)(CNC(=O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1)c1cccc(Cl)c1 ZINC001447460526 1066812143 /nfs/dbraw/zinc/81/21/43/1066812143.db2.gz ZGISECWSYHBVMH-AZGAKELHSA-N 1 1 454.973 4.704 20 0 JJADMO CC[C@]1(C)CN(c2nnc(-c3ccccc3Br)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001546089521 1066812376 /nfs/dbraw/zinc/81/23/76/1066812376.db2.gz QSCKACYTBSQDPK-XLNZFTOWSA-N 1 1 490.490 4.833 20 0 JJADMO C[C@@H]1CCCN(C(=O)[C@H](C[N@@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)c2ccccc21 ZINC001447469704 1066812796 /nfs/dbraw/zinc/81/27/96/1066812796.db2.gz APSPBCFTANJEGW-OFNKIYASSA-N 1 1 451.611 4.942 20 0 JJADMO C[C@H]1CCCN(C(=O)[C@H](C[N@@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)c2ccccc21 ZINC001447469706 1066812827 /nfs/dbraw/zinc/81/28/27/1066812827.db2.gz APSPBCFTANJEGW-REWPJTCUSA-N 1 1 451.611 4.942 20 0 JJADMO CC[C@@H]1CN(C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001447498063 1066815322 /nfs/dbraw/zinc/81/53/22/1066815322.db2.gz LLLIIGJBOPSBPF-NRUKRLKBSA-N 1 1 453.671 4.755 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[C@@H]3C(C)C)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)cs1 ZINC001492678473 1066818744 /nfs/dbraw/zinc/81/87/44/1066818744.db2.gz YDKMZOCVDBWKCG-WMZHIEFXSA-N 1 1 452.672 4.779 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)cs1 ZINC001492679269 1066821226 /nfs/dbraw/zinc/82/12/26/1066821226.db2.gz YGVFAGOALBEGSI-HYBUGGRVSA-N 1 1 496.725 4.938 20 0 JJADMO Cc1nc(Cc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)cs1 ZINC001492682326 1066824778 /nfs/dbraw/zinc/82/47/78/1066824778.db2.gz VEOSBILXRLXSBY-HYBUGGRVSA-N 1 1 496.725 4.796 20 0 JJADMO C[C@H](CCNC(=O)c1ccc(Cl)c(I)c1)[N@@H+](C)Cc1ccccc1 ZINC001457420157 1066827386 /nfs/dbraw/zinc/82/73/86/1066827386.db2.gz AQNHDEUVEKIJOW-CQSZACIVSA-N 1 1 456.755 4.585 20 0 JJADMO C[C@H](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001457421996 1066828040 /nfs/dbraw/zinc/82/80/40/1066828040.db2.gz MKGKLPBJDDJLGW-ONTLXTELSA-N 1 1 457.659 4.972 20 0 JJADMO Cc1nc(C[C@@H]2CCCN(c3nnc([C@@H](C)Oc4cccc(C)c4C)n3CC[N@H+](C)C(C)C)C2)no1 ZINC001492686254 1066830725 /nfs/dbraw/zinc/83/07/25/1066830725.db2.gz XDYCSBCUCYNPMY-GGAORHGYSA-N 1 1 495.672 4.526 20 0 JJADMO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC001457458831 1066834763 /nfs/dbraw/zinc/83/47/63/1066834763.db2.gz BFTTUDXWYQZQDY-QGZVFWFLSA-N 1 1 455.049 4.627 20 0 JJADMO CC[C@H](C)n1nc(C)c(-c2cc(C(=O)Nc3nc(C[NH+]4CCCCCC4)cs3)n[nH]2)c1C ZINC001457459639 1066835230 /nfs/dbraw/zinc/83/52/30/1066835230.db2.gz KHVAWXLYZXNDBJ-HNNXBMFYSA-N 1 1 455.632 4.946 20 0 JJADMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1cnnn1-c1c(Cl)cccc1Cl ZINC001457459980 1066835280 /nfs/dbraw/zinc/83/52/80/1066835280.db2.gz MQYVZELZILGMQO-UHFFFAOYSA-N 1 1 451.383 4.659 20 0 JJADMO Cc1ncc(CN(C)c2nnc(-c3ccc(Br)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)s1 ZINC001492695860 1066844072 /nfs/dbraw/zinc/84/40/72/1066844072.db2.gz OLZCHWMRMPXGAJ-MRXNPFEDSA-N 1 1 489.487 4.841 20 0 JJADMO Cc1ncc(CN(C)c2nnc(Cc3ccccc3C)n2C[C@H]2CCC[N@H+](CC(C)C)C2)s1 ZINC001492698418 1066851588 /nfs/dbraw/zinc/85/15/88/1066851588.db2.gz WSZHFHBMASKIHU-QFIPXVFZSA-N 1 1 466.699 4.947 20 0 JJADMO Cc1ncc(CN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@H+](C)C(C)C)s1 ZINC001492699020 1066853517 /nfs/dbraw/zinc/85/35/17/1066853517.db2.gz UUAIUPNAUBUALA-UHFFFAOYSA-N 1 1 470.687 4.896 20 0 JJADMO CC[C@H](NC(=O)c1cc(OCc2ccccc2)cs1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001457534348 1066853565 /nfs/dbraw/zinc/85/35/65/1066853565.db2.gz CHJNWYHBARTXDM-BJKOFHAPSA-N 1 1 450.604 4.737 20 0 JJADMO CC[C@H](NC(=O)c1cc(OCc2ccccc2)cs1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001457534348 1066853575 /nfs/dbraw/zinc/85/35/75/1066853575.db2.gz CHJNWYHBARTXDM-BJKOFHAPSA-N 1 1 450.604 4.737 20 0 JJADMO CCCCOc1ccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)cc1Cl ZINC001447754872 1066853817 /nfs/dbraw/zinc/85/38/17/1066853817.db2.gz ZRJCEVWLNPRIAA-BKMJKUGQSA-N 1 1 457.014 4.674 20 0 JJADMO CC[C@@H](NC(=O)c1cc(OCc2ccccc2)cs1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001457534350 1066854445 /nfs/dbraw/zinc/85/44/45/1066854445.db2.gz CHJNWYHBARTXDM-DNQXCXABSA-N 1 1 450.604 4.737 20 0 JJADMO CC[C@@H](NC(=O)c1cc(OCc2ccccc2)cs1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001457534350 1066854455 /nfs/dbraw/zinc/85/44/55/1066854455.db2.gz CHJNWYHBARTXDM-DNQXCXABSA-N 1 1 450.604 4.737 20 0 JJADMO CN(C(=O)[C@@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001457540590 1066855777 /nfs/dbraw/zinc/85/57/77/1066855777.db2.gz UYQXYEOTIJVVAD-WXFUMESZSA-N 1 1 457.659 4.973 20 0 JJADMO CN(C(=O)c1cc(Br)cc(N2CCCC2)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001457544943 1066857317 /nfs/dbraw/zinc/85/73/17/1066857317.db2.gz MKDFNPHIIXXHFW-QFIPXVFZSA-N 1 1 456.428 4.786 20 0 JJADMO CN(C(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001457549552 1066858617 /nfs/dbraw/zinc/85/86/17/1066858617.db2.gz TVJIJYGGJWNCSO-QFIPXVFZSA-N 1 1 456.512 4.687 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c(CC(C)C)nnc2N(C)CCCc2ccccn2)cc1F ZINC001492704112 1066862383 /nfs/dbraw/zinc/86/23/83/1066862383.db2.gz QGXCJPSYPFDUCY-UHFFFAOYSA-N 1 1 461.589 4.622 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccco1 ZINC001492704487 1066863365 /nfs/dbraw/zinc/86/33/65/1066863365.db2.gz FFMUUKISVTVHHY-NRFANRHFSA-N 1 1 497.644 4.607 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c(Cc3cccnc3)nnc2N(CC(C)C)C(C)C)cc1F ZINC001492704364 1066863393 /nfs/dbraw/zinc/86/33/93/1066863393.db2.gz ZYFRHSPCPVNMBQ-UHFFFAOYSA-N 1 1 461.589 4.816 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(C2CCCC2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001492704816 1066864004 /nfs/dbraw/zinc/86/40/04/1066864004.db2.gz NUXJRRXCIZVBMX-DENIHFKCSA-N 1 1 485.677 4.661 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2ccccc2Cl)nnc1N(C)CCc1nccs1 ZINC001492704776 1066864135 /nfs/dbraw/zinc/86/41/35/1066864135.db2.gz MXQOLVUZRMKQEC-UHFFFAOYSA-N 1 1 456.019 4.719 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1nccs1 ZINC001492705316 1066865051 /nfs/dbraw/zinc/86/50/51/1066865051.db2.gz BRYKOAOZMYBSLS-UHFFFAOYSA-N 1 1 486.443 4.786 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC(C)(C)C)cn1 ZINC001492705514 1066865568 /nfs/dbraw/zinc/86/55/68/1066865568.db2.gz IFDOYRGAIREUBF-IFMALSPDSA-N 1 1 465.646 4.616 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCSC(C)(C)C1 ZINC001492706018 1066866834 /nfs/dbraw/zinc/86/68/34/1066866834.db2.gz ZNDYXJVCKINKLE-SFHVURJKSA-N 1 1 472.634 4.874 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(Cc2ccccc2F)nnc1N1CCS[C@H](C(C)C)C1 ZINC001492706056 1066866874 /nfs/dbraw/zinc/86/68/74/1066866874.db2.gz APALXWJFCGOGCM-QFIPXVFZSA-N 1 1 456.635 4.571 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cc(F)cc(F)c1 ZINC001492705911 1066866891 /nfs/dbraw/zinc/86/68/91/1066866891.db2.gz WERUXJGLYXXYQT-UHFFFAOYSA-N 1 1 471.943 4.893 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(Cc2ccncc2)nnc1N(C)Cc1cccc(Br)c1 ZINC001492706195 1066867703 /nfs/dbraw/zinc/86/77/03/1066867703.db2.gz FUSCHIANJWSSDN-UHFFFAOYSA-N 1 1 494.441 4.648 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001492706358 1066868377 /nfs/dbraw/zinc/86/83/77/1066868377.db2.gz KNIUNHVQWAPCSA-HXUWFJFHSA-N 1 1 480.510 4.909 20 0 JJADMO Cc1nccn1CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001492707147 1066869919 /nfs/dbraw/zinc/86/99/19/1066869919.db2.gz MODPWBCEWSBJBI-UHFFFAOYSA-N 1 1 470.065 4.750 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)[C@@H]1CCSC1 ZINC001492709041 1066872997 /nfs/dbraw/zinc/87/29/97/1066872997.db2.gz UZMHXILKRNISFG-QGZVFWFLSA-N 1 1 481.453 4.701 20 0 JJADMO Cc1[nH+]ccn1CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001492709221 1066873091 /nfs/dbraw/zinc/87/30/91/1066873091.db2.gz BZYFLMAGSBQLRZ-NVXWUHKLSA-N 1 1 466.483 4.541 20 0 JJADMO Cc1[nH+]ccn1CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCSC(C)(C)C1 ZINC001492709574 1066873751 /nfs/dbraw/zinc/87/37/51/1066873751.db2.gz MVIURWCWYRAWBR-MRXNPFEDSA-N 1 1 461.035 4.608 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC1CCCCC1 ZINC001492709527 1066873769 /nfs/dbraw/zinc/87/37/69/1066873769.db2.gz LYPRFXFQXREHNR-SZPZYZBQSA-N 1 1 485.677 4.661 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cc(F)c(F)c(F)c1 ZINC001492709636 1066873802 /nfs/dbraw/zinc/87/38/02/1066873802.db2.gz OXJSQOQFKJGBHF-XMSQKQJNSA-N 1 1 490.574 4.846 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001492710709 1066876105 /nfs/dbraw/zinc/87/61/05/1066876105.db2.gz ZIAUOFJCOFITBO-AWEZNQCLSA-N 1 1 457.916 4.674 20 0 JJADMO Cc1[nH+]ccn1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 ZINC001492711379 1066877085 /nfs/dbraw/zinc/87/70/85/1066877085.db2.gz SGVXYFOZUKFHCY-SIKLNZKXSA-N 1 1 485.677 4.613 20 0 JJADMO Cc1[nH+]ccn1CCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CC1CC(F)(F)C1 ZINC001492711812 1066877106 /nfs/dbraw/zinc/87/71/06/1066877106.db2.gz HEIKVSRSEFWDAC-UHFFFAOYSA-N 1 1 485.366 4.851 20 0 JJADMO Cc1ccc(-n2nc(Br)cc2C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)cc1 ZINC001457608796 1066877460 /nfs/dbraw/zinc/87/74/60/1066877460.db2.gz GQKJCKBENJNOHB-HXUWFJFHSA-N 1 1 459.432 4.718 20 0 JJADMO Cc1[nH+]ccn1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C)CC1 ZINC001492712293 1066877765 /nfs/dbraw/zinc/87/77/65/1066877765.db2.gz YIELTIMTXLGHJS-HXUWFJFHSA-N 1 1 450.631 4.986 20 0 JJADMO Cc1[nH+]ccn1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CC1CCCC1 ZINC001492712016 1066877846 /nfs/dbraw/zinc/87/78/46/1066877846.db2.gz PCOICOQEHJZYCR-UHFFFAOYSA-N 1 1 450.631 4.986 20 0 JJADMO CN(C)[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cccc(C(F)(F)F)c1 ZINC001448059195 1066894642 /nfs/dbraw/zinc/89/46/42/1066894642.db2.gz BZFZQDAEIYVSHB-GOTSBHOMSA-N 1 1 459.556 4.727 20 0 JJADMO CN(C)[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cccc(C(F)(F)F)c1 ZINC001448059195 1066894650 /nfs/dbraw/zinc/89/46/50/1066894650.db2.gz BZFZQDAEIYVSHB-GOTSBHOMSA-N 1 1 459.556 4.727 20 0 JJADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC(C)C)CC1 ZINC001492723522 1066895037 /nfs/dbraw/zinc/89/50/37/1066895037.db2.gz QCZOROHBKCEUPI-UHFFFAOYSA-N 1 1 493.700 4.699 20 0 JJADMO Cc1cc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)n(C)n1 ZINC001492727327 1066897016 /nfs/dbraw/zinc/89/70/16/1066897016.db2.gz OTYQRIHTBMFCMR-UHFFFAOYSA-N 1 1 493.700 4.555 20 0 JJADMO CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001457688570 1066897738 /nfs/dbraw/zinc/89/77/38/1066897738.db2.gz DDDCSGXCDLQGEI-LQWHRVPQSA-N 1 1 454.442 4.612 20 0 JJADMO CC(=O)c1ccc(Nc2ccccc2C(=O)Nc2ccc(Cl)c(C[N@H+](C)CCO)c2)cc1 ZINC001448223223 1066910757 /nfs/dbraw/zinc/91/07/57/1066910757.db2.gz FPMPDXLLEAXJNP-UHFFFAOYSA-N 1 1 451.954 4.963 20 0 JJADMO CC(=O)c1ccc(Nc2ccccc2C(=O)Nc2ccc(Cl)c(C[N@@H+](C)CCO)c2)cc1 ZINC001448223223 1066910768 /nfs/dbraw/zinc/91/07/68/1066910768.db2.gz FPMPDXLLEAXJNP-UHFFFAOYSA-N 1 1 451.954 4.963 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3cccs3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC001492736504 1066911660 /nfs/dbraw/zinc/91/16/60/1066911660.db2.gz IBWOITKPDRQZGN-QFIPXVFZSA-N 1 1 484.073 4.794 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(Cc3cccs3)C(C)C)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492741155 1066916511 /nfs/dbraw/zinc/91/65/11/1066916511.db2.gz UKOWOCOSEITSMQ-OYRHEFFESA-N 1 1 483.730 4.984 20 0 JJADMO Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)NCC[N@@H+]3CCC[C@H]3C)cc12 ZINC001457775037 1066916933 /nfs/dbraw/zinc/91/69/33/1066916933.db2.gz UVMQJQBDAYMWQX-CYBMUJFWSA-N 1 1 451.423 4.975 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CC[C@H](C)C(C)(C)C3)n2Cc2ccccc2C[N@H+](C)C(C)C)n1 ZINC001492744103 1066919234 /nfs/dbraw/zinc/91/92/34/1066919234.db2.gz GXSUDCINRRUMAY-NRFANRHFSA-N 1 1 477.701 4.901 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492744267 1066919713 /nfs/dbraw/zinc/91/97/13/1066919713.db2.gz LDSNDEIIZVUYPM-BDTNDASRSA-N 1 1 469.722 4.770 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCC(C(C)C)CC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001492744326 1066919826 /nfs/dbraw/zinc/91/98/26/1066919826.db2.gz MFXWRRSLUYNNBJ-QHCPKHFHSA-N 1 1 463.674 4.533 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)n2CCSC(C)C)n1 ZINC001492746280 1066921842 /nfs/dbraw/zinc/92/18/42/1066921842.db2.gz NGVDVTSIPHXGOU-QFIPXVFZSA-N 1 1 487.762 4.762 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CC[N@@H+](Cc4ccccc4)C[C@H]3C)n2CC(C)(C)C(C)C)n1 ZINC001492753008 1066926336 /nfs/dbraw/zinc/92/63/36/1066926336.db2.gz IROQUHIOKHXFQC-HSZRJFAPSA-N 1 1 463.674 4.533 20 0 JJADMO CCc1ccc([C@@H]2CN(C(=O)c3sc(NC(=O)c4cccc(F)c4)cc3C)CC[NH2+]2)cc1 ZINC001448449091 1066928811 /nfs/dbraw/zinc/92/88/11/1066928811.db2.gz JQDMCMOORFRQOX-NRFANRHFSA-N 1 1 451.567 4.797 20 0 JJADMO CC1(C)C[C@H](C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)c2ccccc2O1 ZINC001457830159 1066929789 /nfs/dbraw/zinc/92/97/89/1066929789.db2.gz YMPNSBHZHGRDTF-NRFANRHFSA-N 1 1 457.412 4.875 20 0 JJADMO Cc1cc(C)n(CC2CCN(c3nnc(C(C)(C)C)n3CCCC[N@@H+]3CCC[C@H](C)C3)CC2)n1 ZINC001492757762 1066930245 /nfs/dbraw/zinc/93/02/45/1066930245.db2.gz MBNLGGODDBPYLR-NRFANRHFSA-N 1 1 469.722 4.818 20 0 JJADMO C[C@H](C(=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1)[N@H+]1CCc2ccccc2C1 ZINC001448461476 1066930327 /nfs/dbraw/zinc/93/03/27/1066930327.db2.gz WHNJCKPUKXCRQH-QGZVFWFLSA-N 1 1 450.476 4.819 20 0 JJADMO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)c2ccc(F)cc2n1 ZINC001457834586 1066930565 /nfs/dbraw/zinc/93/05/65/1066930565.db2.gz QXBMHZVPWFWQQN-UHFFFAOYSA-N 1 1 456.359 4.839 20 0 JJADMO C[NH+](C)Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)ccc1Cl ZINC001448541506 1066937994 /nfs/dbraw/zinc/93/79/94/1066937994.db2.gz QDXZTGRGIWFXBZ-LJQANCHMSA-N 1 1 454.785 4.952 20 0 JJADMO Cc1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001492783580 1066948714 /nfs/dbraw/zinc/94/87/14/1066948714.db2.gz VIFRFTZNOLPILN-OAHLLOKOSA-N 1 1 452.550 4.609 20 0 JJADMO Cc1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001492804715 1066953936 /nfs/dbraw/zinc/95/39/36/1066953936.db2.gz OAPJNKDLQBUAQX-JOCHJYFZSA-N 1 1 491.080 4.626 20 0 JJADMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1[C@@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C ZINC001448732845 1066954662 /nfs/dbraw/zinc/95/46/62/1066954662.db2.gz HOIPDLXQAICPBZ-LSWJPFSZSA-N 1 1 452.599 4.613 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(Br)ccc1OC(F)F ZINC001458000107 1066955161 /nfs/dbraw/zinc/95/51/61/1066955161.db2.gz LNVGJCHQWXVXQX-LSDHHAIUSA-N 1 1 453.327 4.786 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(Br)ccc1OC(F)F ZINC001458000107 1066955169 /nfs/dbraw/zinc/95/51/69/1066955169.db2.gz LNVGJCHQWXVXQX-LSDHHAIUSA-N 1 1 453.327 4.786 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)[C@@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C ZINC001458005129 1066956280 /nfs/dbraw/zinc/95/62/80/1066956280.db2.gz QDDIFQAICKIOKF-LUGTWXOSSA-N 1 1 457.659 4.972 20 0 JJADMO C[C@H]1C[C@H](CCNC(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)C[N@H+]1Cc1ccccc1 ZINC001458054308 1066962651 /nfs/dbraw/zinc/96/26/51/1066962651.db2.gz BOXJGIBKCFDOTR-ICSRJNTNSA-N 1 1 456.512 4.922 20 0 JJADMO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001448848623 1066963854 /nfs/dbraw/zinc/96/38/54/1066963854.db2.gz SPHXNMFMLIDPRA-ZBCONREDSA-N 1 1 469.670 4.829 20 0 JJADMO C[C@@H]1C[C@H](CCNC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)C[N@H+]1Cc1ccccc1 ZINC001458061099 1066965033 /nfs/dbraw/zinc/96/50/33/1066965033.db2.gz VJHUVRBPDXRCBK-QUCCMNQESA-N 1 1 453.533 4.969 20 0 JJADMO C[NH+](C)[C@H](C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1)c1ccc(Cl)cc1 ZINC001448882300 1066966798 /nfs/dbraw/zinc/96/67/98/1066966798.db2.gz APPHCGZLUGUDHY-UXHICEINSA-N 1 1 450.808 4.808 20 0 JJADMO Fc1cccc2cc(Br)c(NCCC[NH+]3CCN(Cc4ccccc4)CC3)nc12 ZINC001458079840 1066969199 /nfs/dbraw/zinc/96/91/99/1066969199.db2.gz GDPGLAQUCIISRS-UHFFFAOYSA-N 1 1 457.391 4.756 20 0 JJADMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)CCOc1ccc(Cl)c(F)c1 ZINC001458091613 1066971826 /nfs/dbraw/zinc/97/18/26/1066971826.db2.gz BIGYQPHNNOTUCJ-IBGZPJMESA-N 1 1 456.949 4.839 20 0 JJADMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)CCOc1ccc(Cl)c(F)c1 ZINC001458091617 1066971868 /nfs/dbraw/zinc/97/18/68/1066971868.db2.gz BIGYQPHNNOTUCJ-LJQANCHMSA-N 1 1 456.949 4.839 20 0 JJADMO CCOc1ccc(SCC(=O)Nc2c(C)cnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001458092235 1066972314 /nfs/dbraw/zinc/97/23/14/1066972314.db2.gz GRBPNBSZSUHUJT-OAQYLSRUSA-N 1 1 450.608 4.768 20 0 JJADMO CC[C@H](c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@]1(C)CCCS1)c1ccccc1 ZINC001545720174 1066974423 /nfs/dbraw/zinc/97/44/23/1066974423.db2.gz SFFLILHNRXHSBO-HOFKKMOUSA-N 1 1 485.742 4.900 20 0 JJADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ncc(C(F)(F)F)cc2I)C1 ZINC001458113166 1066979900 /nfs/dbraw/zinc/97/99/00/1066979900.db2.gz LLKRQKXUZFAEBF-SCRDCRAPSA-N 1 1 453.290 4.547 20 0 JJADMO CC[C@@H](c1nnc(N(C)C[C@H]2CCCOC2)n1CCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC001545724780 1066981640 /nfs/dbraw/zinc/98/16/40/1066981640.db2.gz WYAJOYMAFQGAFB-JBRSBNLGSA-N 1 1 453.675 4.947 20 0 JJADMO CC[C@@H](c1nnc(N(C)C[C@H]2CCCOC2)n1CCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC001545724782 1066981701 /nfs/dbraw/zinc/98/17/01/1066981701.db2.gz WYAJOYMAFQGAFB-VDKIKQQVSA-N 1 1 453.675 4.947 20 0 JJADMO Cc1ccc(-c2noc([C@@H](C)NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)n2)cc1F ZINC001545725578 1066982393 /nfs/dbraw/zinc/98/23/93/1066982393.db2.gz YTBKYFSUPJLLHT-APWZRJJASA-N 1 1 458.484 4.519 20 0 JJADMO CC[C@@H](c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1Cc1cc(C(C)(C)C)no1)c1ccccc1 ZINC001545725936 1066982851 /nfs/dbraw/zinc/98/28/51/1066982851.db2.gz GOYMHBPJFRWJAZ-HSZRJFAPSA-N 1 1 494.684 4.701 20 0 JJADMO CC[C@@H](c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1Cc1cc(C(C)(C)C)no1)c1ccccc1 ZINC001545725936 1066982869 /nfs/dbraw/zinc/98/28/69/1066982869.db2.gz GOYMHBPJFRWJAZ-HSZRJFAPSA-N 1 1 494.684 4.701 20 0 JJADMO CC[C@H](c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CC1(C(C)C)CC1)c1ccccc1 ZINC001545726515 1066983314 /nfs/dbraw/zinc/98/33/14/1066983314.db2.gz RNCGFDFMASNDBB-QHCPKHFHSA-N 1 1 453.675 4.803 20 0 JJADMO CC[C@H](c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CC1(C(C)C)CC1)c1ccccc1 ZINC001545726515 1066983323 /nfs/dbraw/zinc/98/33/23/1066983323.db2.gz RNCGFDFMASNDBB-QHCPKHFHSA-N 1 1 453.675 4.803 20 0 JJADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)Cc3ccc(NC(=O)OC(C)(C)C)cc3)C2)s1 ZINC001449179566 1066988024 /nfs/dbraw/zinc/98/80/24/1066988024.db2.gz XJGYGAOEQHIETL-FQEVSTJZSA-N 1 1 457.640 4.927 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)n1Cc1ccnc(OC(F)F)c1)c1ccccc1 ZINC001545730569 1066988470 /nfs/dbraw/zinc/98/84/70/1066988470.db2.gz BQIXXGSWKNPKGO-WOIUINJBSA-N 1 1 484.595 4.784 20 0 JJADMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1cccc(C)c1Br ZINC001458154591 1066990147 /nfs/dbraw/zinc/99/01/47/1066990147.db2.gz OLDJMKZTRJVVPJ-VGOFRKELSA-N 1 1 458.444 4.763 20 0 JJADMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1cccc(C)c1Br ZINC001458154591 1066990159 /nfs/dbraw/zinc/99/01/59/1066990159.db2.gz OLDJMKZTRJVVPJ-VGOFRKELSA-N 1 1 458.444 4.763 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@@H](CC)[C@H]([NH+]3CCOCC3)C2)n1CCCC(F)(F)F)c1ccccc1 ZINC001545731297 1066990523 /nfs/dbraw/zinc/99/05/23/1066990523.db2.gz MPNISWYTMLSFKA-CEMLEFRQSA-N 1 1 479.591 4.710 20 0 JJADMO O=C(NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccccc1CSC1=NCCS1 ZINC001449225069 1066990937 /nfs/dbraw/zinc/99/09/37/1066990937.db2.gz GHXHHDIMFALBIE-OAQYLSRUSA-N 1 1 451.617 4.877 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](C)C[C@H]2CC)n1CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC001545731470 1066991110 /nfs/dbraw/zinc/99/11/10/1066991110.db2.gz OQCXQKYYONEOGH-WMMXXEOUSA-N 1 1 453.675 4.946 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](C)C[C@@H]2CC)n1CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC001545731471 1066991292 /nfs/dbraw/zinc/99/12/92/1066991292.db2.gz OQCXQKYYONEOGH-YQIMAOPZSA-N 1 1 453.675 4.946 20 0 JJADMO Cc1ccc(O[C@H](C)C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)c(Br)c1 ZINC001449228762 1066991350 /nfs/dbraw/zinc/99/13/50/1066991350.db2.gz OAJIXPQKUUZIRQ-XLIONFOSSA-N 1 1 457.368 4.765 20 0 JJADMO Cc1ccc(O[C@@H](C)C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)c(Br)c1 ZINC001449228759 1066991405 /nfs/dbraw/zinc/99/14/05/1066991405.db2.gz OAJIXPQKUUZIRQ-PXNSSMCTSA-N 1 1 457.368 4.765 20 0 JJADMO CCc1cccc2c3c([nH]c21)[C@](CC)(CC(=O)N(C)CCC[N@@H+](C)Cc1ccco1)OCC3 ZINC001449232634 1066991781 /nfs/dbraw/zinc/99/17/81/1066991781.db2.gz ZISNHDLGOXVOFD-MHZLTWQESA-N 1 1 451.611 4.872 20 0 JJADMO CC[C@H](c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CC[N@H+]1CCC[C@H]1C)c1ccccc1 ZINC001545734397 1066997025 /nfs/dbraw/zinc/99/70/25/1066997025.db2.gz RTWGCYRGQORERB-NQIIRXRSSA-N 1 1 477.575 4.652 20 0 JJADMO CC[C@H](c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCCC(C)(C)C)c1ccccc1 ZINC001545735784 1066998821 /nfs/dbraw/zinc/99/88/21/1066998821.db2.gz GSWSETIKHBYURC-WNCULLNHSA-N 1 1 453.675 4.947 20 0 JJADMO CC[C@H](c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001545736612 1067000455 /nfs/dbraw/zinc/00/04/55/1067000455.db2.gz SPDPHXQVHUGIPF-OFNKIYASSA-N 1 1 492.634 4.625 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001545736611 1067000502 /nfs/dbraw/zinc/00/05/02/1067000502.db2.gz SPDPHXQVHUGIPF-NZQKXSOJSA-N 1 1 492.634 4.625 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001545736610 1067000646 /nfs/dbraw/zinc/00/06/46/1067000646.db2.gz SPDPHXQVHUGIPF-NFBKMPQASA-N 1 1 492.634 4.625 20 0 JJADMO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N3C[C@@H](c4ccccc4C)C[C@@H]3C)c2c1C ZINC001458197814 1067001738 /nfs/dbraw/zinc/00/17/38/1067001738.db2.gz LPFYINPGLYABRG-WMZOPIPTSA-N 1 1 452.624 4.929 20 0 JJADMO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1 ZINC001458214172 1067004897 /nfs/dbraw/zinc/00/48/97/1067004897.db2.gz PCLUKTGOJONCOW-OLKYXYMISA-N 1 1 455.643 4.501 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(F)(F)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545741795 1067008578 /nfs/dbraw/zinc/00/85/78/1067008578.db2.gz WQKXAXMXDZDAMM-SVFBPWRDSA-N 1 1 461.601 4.553 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC001545743062 1067009358 /nfs/dbraw/zinc/00/93/58/1067009358.db2.gz CWBKBAIIVNPACC-LEWJYISDSA-N 1 1 479.591 4.588 20 0 JJADMO CC[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(C)C)CC1)[NH+]1CCCC1 ZINC001546014518 1067010417 /nfs/dbraw/zinc/01/04/17/1067010417.db2.gz JUWJSHDITVTXMB-OAQYLSRUSA-N 1 1 477.122 4.629 20 0 JJADMO CC[C@@H](c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1CC[N@H+](C)[C@@H](C)CC)c1ccccc1 ZINC001545743888 1067010758 /nfs/dbraw/zinc/01/07/58/1067010758.db2.gz SLNYTXSCZGOBSA-XUZZJYLKSA-N 1 1 475.685 4.574 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@@](C)(OC)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545745910 1067013381 /nfs/dbraw/zinc/01/33/81/1067013381.db2.gz ICTHKXLLYGLKKR-INNMJMHTSA-N 1 1 483.701 4.572 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@@H]2C(C)C)n1C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545748742 1067018127 /nfs/dbraw/zinc/01/81/27/1067018127.db2.gz FEFHPVDPIVOWMR-UBFVSLLYSA-N 1 1 453.675 4.802 20 0 JJADMO CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC001449625451 1067018513 /nfs/dbraw/zinc/01/85/13/1067018513.db2.gz QLAMSYRGWGSYRU-INIZCTEOSA-N 1 1 456.578 4.890 20 0 JJADMO CC(C)[N@H+](Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)cc1)C[C@@H]1CCCCO1 ZINC001458273808 1067018572 /nfs/dbraw/zinc/01/85/72/1067018572.db2.gz DSVZOXNORVRNQB-SANMLTNESA-N 1 1 451.611 4.555 20 0 JJADMO CC(C)[N@H+](Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)cc1)C[C@H]1CCCCO1 ZINC001458273800 1067018699 /nfs/dbraw/zinc/01/86/99/1067018699.db2.gz DSVZOXNORVRNQB-AREMUKBSSA-N 1 1 451.611 4.555 20 0 JJADMO COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(C[N@@H+](C[C@@H]3CCCCO3)C(C)C)cc1)CO2 ZINC001458277573 1067019457 /nfs/dbraw/zinc/01/94/57/1067019457.db2.gz KGZNOPZISWMYNL-DHLKQENFSA-N 1 1 452.595 4.665 20 0 JJADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 ZINC001545749556 1067020593 /nfs/dbraw/zinc/02/05/93/1067020593.db2.gz PPNBXOFKPYTTSB-DCEDVJGZSA-N 1 1 478.689 4.600 20 0 JJADMO CC(C)[N@H+](Cc1ccc(NC(=O)C2(CNC(=O)OC(C)(C)C)CC2)cc1)C[C@H]1CCCCO1 ZINC001458285164 1067021460 /nfs/dbraw/zinc/02/14/60/1067021460.db2.gz VTIHPCNMJVSYHV-JOCHJYFZSA-N 1 1 459.631 4.710 20 0 JJADMO CC[C@@H](c1nnc(N2CCCC[C@H](C)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545751397 1067023978 /nfs/dbraw/zinc/02/39/78/1067023978.db2.gz FLTWHRSMSAXQNQ-ICDZXHCJSA-N 1 1 453.675 4.803 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC001449740072 1067024203 /nfs/dbraw/zinc/02/42/03/1067024203.db2.gz GRRPCFMRRUYKAY-RTWAWAEBSA-N 1 1 458.647 4.789 20 0 JJADMO CC[C@H](c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@](C)(OC)C1CC1)c1ccccc1 ZINC001545751809 1067025658 /nfs/dbraw/zinc/02/56/58/1067025658.db2.gz LRQGQLWIHOANID-HOFKKMOUSA-N 1 1 453.675 4.946 20 0 JJADMO CC[C@H](c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCOc1ncccc1Cl)c1ccccc1 ZINC001545752288 1067027374 /nfs/dbraw/zinc/02/73/74/1067027374.db2.gz UKFMIMAJVDZVIM-QFIPXVFZSA-N 1 1 483.060 4.868 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCOc1ncccc1Cl)c1ccccc1 ZINC001545752287 1067027500 /nfs/dbraw/zinc/02/75/00/1067027500.db2.gz UKFMIMAJVDZVIM-JOCHJYFZSA-N 1 1 483.060 4.868 20 0 JJADMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1ccc(CSc2cc(Cl)ccc2Cl)cc1 ZINC001449805212 1067030476 /nfs/dbraw/zinc/03/04/76/1067030476.db2.gz XZCYTZOOLFKXBO-LJQANCHMSA-N 1 1 453.435 4.862 20 0 JJADMO CC[C@@H](c1nnc(N2CCN(c3nc(C)c(C)s3)CC2)n1CCC[N@@H+](C)C(C)C)c1ccccc1 ZINC001545756262 1067033521 /nfs/dbraw/zinc/03/35/21/1067033521.db2.gz DQVJFFWRFGSMEK-XMMPIXPASA-N 1 1 495.741 4.950 20 0 JJADMO CC[C@@H](c1nnc(N2CCN(C(C)C)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545756600 1067033813 /nfs/dbraw/zinc/03/38/13/1067033813.db2.gz KQWPZBJDUNRHMS-RMTZWNOUSA-N 1 1 466.718 4.718 20 0 JJADMO CC[C@@H](c1nnc(N2CCN(C(C)C)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545756600 1067033831 /nfs/dbraw/zinc/03/38/31/1067033831.db2.gz KQWPZBJDUNRHMS-RMTZWNOUSA-N 1 1 466.718 4.718 20 0 JJADMO CC[C@H](c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545756479 1067034004 /nfs/dbraw/zinc/03/40/04/1067034004.db2.gz IPRFAQNZFMVXPP-QPPBQGQZSA-N 1 1 496.700 4.655 20 0 JJADMO CC[C@@H](c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1CCC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC001545756959 1067034926 /nfs/dbraw/zinc/03/49/26/1067034926.db2.gz QPSQCHABSNTTCA-ATIYNZHBSA-N 1 1 480.701 4.532 20 0 JJADMO CC[C@@H](c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1C[C@H](OC)C(C)C)c1ccccc1 ZINC001545756848 1067035014 /nfs/dbraw/zinc/03/50/14/1067035014.db2.gz PEKZGBQBDCRAFI-SDUSCBPUSA-N 1 1 453.675 4.802 20 0 JJADMO CC[C@H](c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1CCC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC001545756961 1067035177 /nfs/dbraw/zinc/03/51/77/1067035177.db2.gz QPSQCHABSNTTCA-GJZUVCINSA-N 1 1 480.701 4.532 20 0 JJADMO CC[C@@H](c1nnc(N2CCN(CC)[C@@H](C)C2)n1CCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC001545758290 1067036919 /nfs/dbraw/zinc/03/69/19/1067036919.db2.gz DMCONNLBRXEONK-AZGAKELHSA-N 1 1 466.718 4.863 20 0 JJADMO COc1ccc([C@H](OC)[C@@H](C)NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)cc1 ZINC001458348663 1067038321 /nfs/dbraw/zinc/03/83/21/1067038321.db2.gz LBIHXCFBSFJTJU-CBTSXZFNSA-N 1 1 450.623 4.826 20 0 JJADMO COc1ccc([C@H](OC)[C@H](C)NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)cc1 ZINC001458348670 1067038661 /nfs/dbraw/zinc/03/86/61/1067038661.db2.gz LBIHXCFBSFJTJU-MPKDPQEWSA-N 1 1 450.623 4.826 20 0 JJADMO CC[C@H](c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1Cc1cccc(C(F)(F)F)n1)c1ccccc1 ZINC001545758682 1067039822 /nfs/dbraw/zinc/03/98/22/1067039822.db2.gz LKCIPWOZNJXIFV-RXVVDRJESA-N 1 1 472.559 4.813 20 0 JJADMO CC[C@H](c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CCC1(COC)CCCC1)c1ccccc1 ZINC001545759253 1067041387 /nfs/dbraw/zinc/04/13/87/1067041387.db2.gz VDOUSNLLYCNTHG-VWNXMTODSA-N 1 1 453.675 4.947 20 0 JJADMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 ZINC001450021654 1067042130 /nfs/dbraw/zinc/04/21/30/1067042130.db2.gz OMVSJAILOYNOCK-NQIIRXRSSA-N 1 1 453.435 4.790 20 0 JJADMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 ZINC001450021649 1067042173 /nfs/dbraw/zinc/04/21/73/1067042173.db2.gz OMVSJAILOYNOCK-GHTZIAJQSA-N 1 1 453.435 4.790 20 0 JJADMO CC[C@@H](c1nnc(N2CCN(CC(F)(F)F)CC2)n1CCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC001545759340 1067042146 /nfs/dbraw/zinc/04/21/46/1067042146.db2.gz WNKVVJIIGDOKEH-FYYLOGMGSA-N 1 1 492.634 4.769 20 0 JJADMO CC[C@@H](c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@H]1CC[C@@H](F)C1)c1ccccc1 ZINC001545759306 1067042177 /nfs/dbraw/zinc/04/21/77/1067042177.db2.gz WDMRSBPCKAORRT-QPTUXGOLSA-N 1 1 457.638 4.505 20 0 JJADMO CCC[C@H](Nc1nc(C[NH+](C)C)nc2sc(C(=O)OCC)c(C)c21)[C@@H](O)c1ccccc1 ZINC001458362044 1067042506 /nfs/dbraw/zinc/04/25/06/1067042506.db2.gz CUHBFKORCYHZNA-PXNSSMCTSA-N 1 1 456.612 4.552 20 0 JJADMO CCC[C@@H](Nc1nc(C[NH+](C)C)nc2sc(C(=O)OCC)c(C)c21)[C@@H](O)c1ccccc1 ZINC001458362048 1067042680 /nfs/dbraw/zinc/04/26/80/1067042680.db2.gz CUHBFKORCYHZNA-XLIONFOSSA-N 1 1 456.612 4.552 20 0 JJADMO CC[C@H](c1nnc(N2CC[NH+](CCOC)CC2)n1C[C@@H]1CCCCC(F)(F)C1)c1ccccc1 ZINC001545759551 1067042532 /nfs/dbraw/zinc/04/25/32/1067042532.db2.gz ZLFVXXDQERVCPV-GGAORHGYSA-N 1 1 475.628 4.804 20 0 JJADMO CC[C@@H](c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC001545760924 1067044057 /nfs/dbraw/zinc/04/40/57/1067044057.db2.gz KQFJYTJELTXZOI-NJDAHSKKSA-N 1 1 479.591 4.708 20 0 JJADMO CC[C@@H](c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC001545760926 1067044087 /nfs/dbraw/zinc/04/40/87/1067044087.db2.gz KQFJYTJELTXZOI-QHAWAJNXSA-N 1 1 479.591 4.708 20 0 JJADMO CC[C@@H](c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC001545760923 1067044205 /nfs/dbraw/zinc/04/42/05/1067044205.db2.gz KQFJYTJELTXZOI-HKBOAZHASA-N 1 1 479.591 4.708 20 0 JJADMO CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@@H+](CC)[C@@H](C)C1)Oc1cccc(F)c1 ZINC001546019108 1067044850 /nfs/dbraw/zinc/04/48/50/1067044850.db2.gz OLDSVRWKZSVYKY-NAMDQGSHSA-N 1 1 487.664 4.724 20 0 JJADMO CC[C@@H](c1nnc(N2CCN3CCCC[C@H]3C2)n1CC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC001545761437 1067045222 /nfs/dbraw/zinc/04/52/22/1067045222.db2.gz RLHAATUZAPCWPI-LOSJGSFVSA-N 1 1 452.691 4.613 20 0 JJADMO CC[C@@H](c1nnc(N2CCN3CCCC[C@@H]3C2)n1CC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC001545761436 1067045328 /nfs/dbraw/zinc/04/53/28/1067045328.db2.gz RLHAATUZAPCWPI-JWQCQUIFSA-N 1 1 452.691 4.613 20 0 JJADMO CC[C@@H](c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC001545763306 1067046901 /nfs/dbraw/zinc/04/69/01/1067046901.db2.gz GTBBKYWMEMMRKW-ZLZBJJAKSA-N 1 1 497.728 4.962 20 0 JJADMO CC[C@@]1(C)CN(c2nnc(COc3cc(C)ccc3C)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001546100177 1067049616 /nfs/dbraw/zinc/04/96/16/1067049616.db2.gz UNOLRWHOIYNYGZ-JWZKTCGFSA-N 1 1 483.701 4.847 20 0 JJADMO Cc1cc(O[C@@H](C)C(=O)NCCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)ccc1Cl ZINC001458396078 1067050554 /nfs/dbraw/zinc/05/05/54/1067050554.db2.gz NSCVUDCRGWTPPJ-HBMCJLEFSA-N 1 1 459.030 4.741 20 0 JJADMO Cc1ccc(-c2cncc(C(=O)NCCc3ccc(OCC[N@@H+]4C[C@H](C)[C@H](C)C4)cc3)c2)cc1 ZINC001458397065 1067051296 /nfs/dbraw/zinc/05/12/96/1067051296.db2.gz PEGDBHKQSFPQLP-ZRZAMGCNSA-N 1 1 457.618 4.996 20 0 JJADMO CC[C@]1(C)CN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC[N@H+]2CCC[C@@H]2C)CCO1 ZINC001546100252 1067051942 /nfs/dbraw/zinc/05/19/42/1067051942.db2.gz VTCKVNPLYMTSIC-HFZDXXHNSA-N 1 1 490.092 4.741 20 0 JJADMO CC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1)Oc1ccccc1F ZINC001546019591 1067052604 /nfs/dbraw/zinc/05/26/04/1067052604.db2.gz YKHNPTPAXYJQOM-XUZZJYLKSA-N 1 1 473.637 4.683 20 0 JJADMO CC[C@]1(C)CN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CCO1 ZINC001546100342 1067055007 /nfs/dbraw/zinc/05/50/07/1067055007.db2.gz XFTGWDJLGKQFFY-LBNVMWSVSA-N 1 1 467.702 4.827 20 0 JJADMO COc1ccccc1OCCC(=O)N(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001450157992 1067055883 /nfs/dbraw/zinc/05/58/83/1067055883.db2.gz WRQYEZFIIUPGRH-RUZDIDTESA-N 1 1 459.590 4.553 20 0 JJADMO COc1ccc([C@@H](O)C2CCN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3CC(C)C)CC2)cc1 ZINC001450193229 1067058168 /nfs/dbraw/zinc/05/81/68/1067058168.db2.gz HNHYJXVNKWEXLZ-BIYCFNCWSA-N 1 1 464.650 4.762 20 0 JJADMO CCC(CC)(Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[NH+](CCOC)CC1)OC ZINC001545771671 1067059813 /nfs/dbraw/zinc/05/98/13/1067059813.db2.gz WSQYUROZXXVRIB-UHFFFAOYSA-N 1 1 492.089 4.787 20 0 JJADMO COc1ccc(Br)cc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458447259 1067062962 /nfs/dbraw/zinc/06/29/62/1067062962.db2.gz KPYREPLZYHWMJK-ORAYPTAESA-N 1 1 455.755 4.673 20 0 JJADMO COc1ccc(CC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c(Cl)c1OC ZINC001458446458 1067063289 /nfs/dbraw/zinc/06/32/89/1067063289.db2.gz GUWXXHZJPBOOJQ-BTYIYWSLSA-N 1 1 455.357 4.501 20 0 JJADMO C[C@H](NC(=O)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1cccc(C2CC2)c1 ZINC001450245184 1067064033 /nfs/dbraw/zinc/06/40/33/1067064033.db2.gz HYIJKQMDKKZJEO-CYFREDJKSA-N 1 1 451.611 4.767 20 0 JJADMO C[N@H+]1CC[C@H](CNC(=O)c2cnc(OCC3CC3)c(Cl)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458448997 1067064251 /nfs/dbraw/zinc/06/42/51/1067064251.db2.gz QVPFNPVUFCDQPL-QRWLVFNGSA-N 1 1 452.357 4.739 20 0 JJADMO CCC(CC)(Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)OC ZINC001545774019 1067064211 /nfs/dbraw/zinc/06/42/11/1067064211.db2.gz BFGIMWAREFNRIS-UWJYYQICSA-N 1 1 496.483 4.614 20 0 JJADMO COc1ccc(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1Br ZINC001458450456 1067065146 /nfs/dbraw/zinc/06/51/46/1067065146.db2.gz VERPCQZAIAKBPI-AUUYWEPGSA-N 1 1 455.755 4.673 20 0 JJADMO C[N@H+]1CC[C@H](CNC(=O)c2ccccc2OCc2ccncc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458452009 1067066556 /nfs/dbraw/zinc/06/65/56/1067066556.db2.gz ZEOBQOQKNVQNFS-DVECYGJZSA-N 1 1 453.945 4.876 20 0 JJADMO CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)SC ZINC001545777679 1067071897 /nfs/dbraw/zinc/07/18/97/1067071897.db2.gz JTHXRYXXIPRLFY-OAQYLSRUSA-N 1 1 466.699 4.916 20 0 JJADMO Cc1cc(NC(=O)c2cnc(CC3CCN(C(=O)OC(C)(C)C)CC3)s2)cn2cc[nH+]c12 ZINC001450348489 1067072488 /nfs/dbraw/zinc/07/24/88/1067072488.db2.gz JGZNBRNGUOWZNI-UHFFFAOYSA-N 1 1 455.584 4.541 20 0 JJADMO CCC(CC)(Cn1c(-c2ccccc2Cl)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)SC ZINC001545777988 1067072787 /nfs/dbraw/zinc/07/27/87/1067072787.db2.gz SSKNQLKGERBAPW-RXVVDRJESA-N 1 1 478.106 4.677 20 0 JJADMO CC(C)[C@@H](C(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001450403988 1067076822 /nfs/dbraw/zinc/07/68/22/1067076822.db2.gz HZQVVPUQKYITSQ-JYWFKMLOSA-N 1 1 456.549 4.518 20 0 JJADMO CCC(O)(CC)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001546022542 1067077738 /nfs/dbraw/zinc/07/77/38/1067077738.db2.gz HOUWMTBLQYDOCK-UNMCSNQZSA-N 1 1 490.092 4.914 20 0 JJADMO CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)OC ZINC001545784409 1067080531 /nfs/dbraw/zinc/08/05/31/1067080531.db2.gz SHYPTFJBUXEGBQ-ISKFKSNPSA-N 1 1 475.722 4.858 20 0 JJADMO C[NH+](C)[C@H](C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CCO2)c1cccc(Cl)c1 ZINC001450471689 1067083278 /nfs/dbraw/zinc/08/32/78/1067083278.db2.gz RIFKXBFRWZGVGM-NRFANRHFSA-N 1 1 459.974 4.711 20 0 JJADMO CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)OC ZINC001545789784 1067086568 /nfs/dbraw/zinc/08/65/68/1067086568.db2.gz TVWSNZHFSNRCNJ-ISKFKSNPSA-N 1 1 468.690 4.560 20 0 JJADMO Cc1ccc(C[N@@H+]2CCO[C@@H](CNc3ncncc3-c3ccc(Br)cc3)C2)cc1 ZINC001458590281 1067091776 /nfs/dbraw/zinc/09/17/76/1067091776.db2.gz FVKJUDDRVRIGSJ-NRFANRHFSA-N 1 1 453.384 4.527 20 0 JJADMO Cc1ccc(C[N@H+]2CCO[C@@H](CNc3ncncc3-c3ccc(Br)cc3)C2)cc1 ZINC001458590281 1067091789 /nfs/dbraw/zinc/09/17/89/1067091789.db2.gz FVKJUDDRVRIGSJ-NRFANRHFSA-N 1 1 453.384 4.527 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC001458634031 1067099661 /nfs/dbraw/zinc/09/96/61/1067099661.db2.gz WDKQNAGOTYLPIS-JTSKRJEESA-N 1 1 456.011 4.555 20 0 JJADMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CC1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001450705810 1067108165 /nfs/dbraw/zinc/10/81/65/1067108165.db2.gz KBFSCDIYDUKPSI-FYYLOGMGSA-N 1 1 455.643 4.995 20 0 JJADMO Cc1cc(CNC(=O)CCCCC2CCN(C(=O)OC(C)(C)C)CC2)cc(N2CCCC2)[nH+]1 ZINC001450741701 1067114421 /nfs/dbraw/zinc/11/44/21/1067114421.db2.gz FBRRHANIRMKAIT-UHFFFAOYSA-N 1 1 458.647 4.814 20 0 JJADMO CCC(CC)[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2CCCC[C@@H]2C1)[NH+](C)C ZINC001545804780 1067116039 /nfs/dbraw/zinc/11/60/39/1067116039.db2.gz BHKRYHRQWYMZKL-ZWSUVBHBSA-N 1 1 486.680 4.598 20 0 JJADMO C[C@H]1[C@H](NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001450806774 1067124260 /nfs/dbraw/zinc/12/42/60/1067124260.db2.gz WVIDEPXKJUJTCY-PZJWPPBQSA-N 1 1 454.640 4.592 20 0 JJADMO Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC001450810001 1067125126 /nfs/dbraw/zinc/12/51/26/1067125126.db2.gz YTQNGRLJWCUYJB-LAUBAEHRSA-N 1 1 451.567 4.841 20 0 JJADMO CC[C@H](c1nnc(SCCC(=O)Nc2ccccc2F)n1-c1ccc(OC)cc1)[NH+](C)C ZINC001458739693 1067128367 /nfs/dbraw/zinc/12/83/67/1067128367.db2.gz WYTWUPMZGNZNHJ-HXUWFJFHSA-N 1 1 457.575 4.549 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001450837846 1067129504 /nfs/dbraw/zinc/12/95/04/1067129504.db2.gz RJQZBHBSOMBTRH-ISKFKSNPSA-N 1 1 451.611 4.671 20 0 JJADMO CC[N@H+]1CCCN(C(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)[C@@H](C)C1 ZINC001450975627 1067137780 /nfs/dbraw/zinc/13/77/80/1067137780.db2.gz JJVUJUMRTZXVHE-KRWDZBQOSA-N 1 1 458.400 4.566 20 0 JJADMO CCC(O)(CC)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001546028118 1067141937 /nfs/dbraw/zinc/14/19/37/1067141937.db2.gz XBFTXRBLWLNPTF-GMAHTHKFSA-N 1 1 469.674 4.594 20 0 JJADMO CN1CCC[C@@H]1c1cc(C(=O)N2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)[nH]n1 ZINC001451050461 1067144110 /nfs/dbraw/zinc/14/41/10/1067144110.db2.gz WARUUXPYJRRVSX-JOCHJYFZSA-N 1 1 453.587 4.543 20 0 JJADMO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)n[nH]1 ZINC001451050461 1067144117 /nfs/dbraw/zinc/14/41/17/1067144117.db2.gz WARUUXPYJRRVSX-JOCHJYFZSA-N 1 1 453.587 4.543 20 0 JJADMO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)n[nH]1 ZINC001451050461 1067144126 /nfs/dbraw/zinc/14/41/26/1067144126.db2.gz WARUUXPYJRRVSX-JOCHJYFZSA-N 1 1 453.587 4.543 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC[C@H]1c1ccc(F)cc1 ZINC001451050059 1067144175 /nfs/dbraw/zinc/14/41/75/1067144175.db2.gz TWQNJKHKNOQSNI-ISJGIBHGSA-N 1 1 481.612 4.700 20 0 JJADMO COc1ccc(CCNc2nnc(S[C@H]3CC[N@@H+](Cc4ccccc4)C3)s2)cc1OC ZINC001458784672 1067146092 /nfs/dbraw/zinc/14/60/92/1067146092.db2.gz VFGCPCVHKBXDJZ-IBGZPJMESA-N 1 1 456.637 4.577 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)C1 ZINC001451109233 1067146792 /nfs/dbraw/zinc/14/67/92/1067146792.db2.gz JUOYVJFLBOBPMF-XDWXJERXSA-N 1 1 495.639 4.993 20 0 JJADMO Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(C[NH+](C)C)cc2C)ccc1F ZINC001451217940 1067154462 /nfs/dbraw/zinc/15/44/62/1067154462.db2.gz YCAZCWCXDAPZPN-UHFFFAOYSA-N 1 1 455.555 4.557 20 0 JJADMO CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001451254679 1067156499 /nfs/dbraw/zinc/15/64/99/1067156499.db2.gz OGUPICGBQPOFOB-NFBKMPQASA-N 1 1 453.602 4.920 20 0 JJADMO CCC(CC)c1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)on1 ZINC001545823387 1067166411 /nfs/dbraw/zinc/16/64/11/1067166411.db2.gz KWBUCECIWZYSGR-IRXDYDNUSA-N 1 1 472.037 4.852 20 0 JJADMO CCC(CC)c1cc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)on1 ZINC001545826522 1067174631 /nfs/dbraw/zinc/17/46/31/1067174631.db2.gz OWNAUTKKHRDNTK-GOSISDBHSA-N 1 1 487.048 4.981 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2F)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001545827000 1067177334 /nfs/dbraw/zinc/17/73/34/1067177334.db2.gz YQNPQCKGVFEBKB-WIYYLYMNSA-N 1 1 470.637 4.550 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1C[C@@H]1CCCCS1 ZINC001545830394 1067181760 /nfs/dbraw/zinc/18/17/60/1067181760.db2.gz TWQPWHQKPSYFSA-RPWUZVMVSA-N 1 1 498.741 4.583 20 0 JJADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)/C(F)=C\c1ccc(C(F)(F)F)cc1 ZINC001451637539 1067181866 /nfs/dbraw/zinc/18/18/66/1067181866.db2.gz HHLPQKAYYGQGIH-UDFWYERKSA-N 1 1 450.476 4.669 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(C)ccc2F)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001545833908 1067184210 /nfs/dbraw/zinc/18/42/10/1067184210.db2.gz PFTXBQHWOLZHFB-FQEVSTJZSA-N 1 1 486.680 4.791 20 0 JJADMO CCCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)c(OCCC)c1 ZINC001458879157 1067184409 /nfs/dbraw/zinc/18/44/09/1067184409.db2.gz RGBDSCLDWTVIAK-LOSJGSFVSA-N 1 1 459.675 4.673 20 0 JJADMO CN(C(=O)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001458881041 1067184825 /nfs/dbraw/zinc/18/48/25/1067184825.db2.gz UUCAJXTWYBJUHE-LPHRJVMESA-N 1 1 450.042 4.768 20 0 JJADMO CC(=O)CCc1ccc2oc(C(=O)NC[C@@H]3CSCC[N@@H+]3Cc3ccccc3)c(C)c2c1 ZINC001458912596 1067194815 /nfs/dbraw/zinc/19/48/15/1067194815.db2.gz JIUZAVAKAZUEMQ-JOCHJYFZSA-N 1 1 450.604 4.610 20 0 JJADMO CC(=O)CCc1ccc2oc(C(=O)NC[C@@H]3CSCC[N@H+]3Cc3ccccc3)c(C)c2c1 ZINC001458912596 1067194817 /nfs/dbraw/zinc/19/48/17/1067194817.db2.gz JIUZAVAKAZUEMQ-JOCHJYFZSA-N 1 1 450.604 4.610 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](CCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1)c1ccccc1 ZINC001451873954 1067195833 /nfs/dbraw/zinc/19/58/33/1067195833.db2.gz NBYRKGTZYYWGMI-SDHSZQHLSA-N 1 1 463.622 4.766 20 0 JJADMO Cc1cc2cc(C(=O)NC[C@H]3CSCC[N@@H+]3Cc3ccccc3)oc2c(Br)c1 ZINC001458918050 1067196485 /nfs/dbraw/zinc/19/64/85/1067196485.db2.gz ZRZPPAKZEGAHHP-SFHVURJKSA-N 1 1 459.409 4.851 20 0 JJADMO Cc1cc2cc(C(=O)NC[C@H]3CSCC[N@H+]3Cc3ccccc3)oc2c(Br)c1 ZINC001458918050 1067196492 /nfs/dbraw/zinc/19/64/92/1067196492.db2.gz ZRZPPAKZEGAHHP-SFHVURJKSA-N 1 1 459.409 4.851 20 0 JJADMO CC(C)(Oc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC001458916917 1067196575 /nfs/dbraw/zinc/19/65/75/1067196575.db2.gz XEXPOXFSOFTJCV-LJQANCHMSA-N 1 1 452.542 4.597 20 0 JJADMO CC(C)(Oc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC001458916917 1067196582 /nfs/dbraw/zinc/19/65/82/1067196582.db2.gz XEXPOXFSOFTJCV-LJQANCHMSA-N 1 1 452.542 4.597 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001545849151 1067202539 /nfs/dbraw/zinc/20/25/39/1067202539.db2.gz LBZRQFPQCVNMNG-LEWJYISDSA-N 1 1 460.711 4.581 20 0 JJADMO O=C(NCc1c(F)c(F)c(Br)c(F)c1F)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001452030993 1067204846 /nfs/dbraw/zinc/20/48/46/1067204846.db2.gz RQYGXCYEWQRKLJ-CQSZACIVSA-N 1 1 459.281 4.676 20 0 JJADMO O=C(NCc1c(F)c(F)c(Br)c(F)c1F)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001452030993 1067204858 /nfs/dbraw/zinc/20/48/58/1067204858.db2.gz RQYGXCYEWQRKLJ-CQSZACIVSA-N 1 1 459.281 4.676 20 0 JJADMO CCC1(CC)CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC[N@@H+](C)CCOC)C1 ZINC001546105088 1067207472 /nfs/dbraw/zinc/20/74/72/1067207472.db2.gz UPBBPVQXRNEUEU-LJQANCHMSA-N 1 1 459.704 4.726 20 0 JJADMO O=C(N[C@H](C[C@H]1CCCO1)C(F)(F)F)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001452527952 1067231549 /nfs/dbraw/zinc/23/15/49/1067231549.db2.gz QIIXXXXEAQMWLF-YPAWHYETSA-N 1 1 452.492 4.643 20 0 JJADMO O=C(N[C@H](C[C@@H]1CCCO1)C(F)(F)F)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001452527950 1067231568 /nfs/dbraw/zinc/23/15/68/1067231568.db2.gz QIIXXXXEAQMWLF-FDFHNCONSA-N 1 1 452.492 4.643 20 0 JJADMO Cc1ccc(CC(=O)N(C)Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1Br ZINC001452687725 1067243350 /nfs/dbraw/zinc/24/33/50/1067243350.db2.gz AWRRAAGRECVYNN-KDURUIRLSA-N 1 1 459.428 4.568 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(CN(C)C(=O)c3ccc(OCC(F)(F)F)cc3)cc2)C[C@H](C)O1 ZINC001452688251 1067243776 /nfs/dbraw/zinc/24/37/76/1067243776.db2.gz DKCLRXSVJOGIEL-HDICACEKSA-N 1 1 450.501 4.509 20 0 JJADMO COc1ccccc1Oc1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)nc1 ZINC001459072403 1067244930 /nfs/dbraw/zinc/24/49/30/1067244930.db2.gz IBQVPHZDNAPXNH-UHFFFAOYSA-N 1 1 456.340 4.959 20 0 JJADMO CC(C)(C)c1ccc(OCc2ccc(C(=O)N[C@H]3C[C@H]([NH+]4CCOCC4)C3(C)C)cc2)cc1 ZINC001452714132 1067246120 /nfs/dbraw/zinc/24/61/20/1067246120.db2.gz NDRRCOXCZXTWIX-DQEYMECFSA-N 1 1 450.623 4.792 20 0 JJADMO C[C@H]1Cc2[nH+]cn(CC(=O)Nc3ccc(Oc4ccc(Br)cc4)nc3)c2C[C@@H]1C ZINC001459102270 1067250715 /nfs/dbraw/zinc/25/07/15/1067250715.db2.gz CNPZFOWQZIYPQQ-GJZGRUSLSA-N 1 1 455.356 4.842 20 0 JJADMO Cc1cccc(-c2noc(SCC(=O)N3C[C@H](C)[N@@H+](Cc4ccccc4)[C@H](C)[C@@H]3C)n2)c1 ZINC001452777960 1067251370 /nfs/dbraw/zinc/25/13/70/1067251370.db2.gz SGODDXOQDSVUSN-ZCNNSNEGSA-N 1 1 450.608 4.647 20 0 JJADMO Cc1cccc(-c2noc(SCC(=O)N3C[C@H](C)[N@H+](Cc4ccccc4)[C@H](C)[C@@H]3C)n2)c1 ZINC001452777960 1067251378 /nfs/dbraw/zinc/25/13/78/1067251378.db2.gz SGODDXOQDSVUSN-ZCNNSNEGSA-N 1 1 450.608 4.647 20 0 JJADMO Cc1sc2ncnc(SCC(=O)N3C[C@H](C)[N@H+](Cc4ccccc4)[C@@H](C)[C@H]3C)c2c1C ZINC001452779553 1067251823 /nfs/dbraw/zinc/25/18/23/1067251823.db2.gz XVLKRQVGRMBYMJ-RYQLBKOJSA-N 1 1 454.665 4.910 20 0 JJADMO C[N@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1NC1CCC1 ZINC001452818870 1067255797 /nfs/dbraw/zinc/25/57/97/1067255797.db2.gz OHGGUNKXYLVBHJ-QHCPKHFHSA-N 1 1 452.599 4.615 20 0 JJADMO COc1ccc([C@@H]2CCCN2C(=O)CS[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC001459139624 1067259127 /nfs/dbraw/zinc/25/91/27/1067259127.db2.gz BSOBIQMAPKGTGC-UPVQGACJSA-N 1 1 454.636 4.765 20 0 JJADMO O=C(CS[C@H]1CCC[N@@H+](Cc2ccccc2)C1)Nc1ccnn1Cc1ccccc1Cl ZINC001459141410 1067259593 /nfs/dbraw/zinc/25/95/93/1067259593.db2.gz KDMSWKBXSBYXSG-NRFANRHFSA-N 1 1 455.027 4.921 20 0 JJADMO C[N@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2CCCCC2)CC1 ZINC001452926239 1067265053 /nfs/dbraw/zinc/26/50/53/1067265053.db2.gz AEDMMHBPDULIEO-DEOSSOPVSA-N 1 1 457.659 4.831 20 0 JJADMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cc(C(F)(F)F)ccc2Br)C1 ZINC001452967381 1067269230 /nfs/dbraw/zinc/26/92/30/1067269230.db2.gz BYJWUJKSHZLAIN-QGZVFWFLSA-N 1 1 455.318 4.857 20 0 JJADMO C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)cc1 ZINC001452980640 1067270177 /nfs/dbraw/zinc/27/01/77/1067270177.db2.gz YMEJVWGOLWNKSG-RDPSFJRHSA-N 1 1 451.611 4.661 20 0 JJADMO CCOc1cc(C[N@H+](Cc2ccccc2C(F)(F)F)C2CC2)nc2nc(C(F)(F)F)nn21 ZINC001459313380 1067291163 /nfs/dbraw/zinc/29/11/63/1067291163.db2.gz YLNUYVVRZWUGRE-UHFFFAOYSA-N 1 1 459.394 4.725 20 0 JJADMO CCOc1cc(C[N@@H+](Cc2ccccc2C(F)(F)F)C2CC2)nc2nc(C(F)(F)F)nn21 ZINC001459313380 1067291171 /nfs/dbraw/zinc/29/11/71/1067291171.db2.gz YLNUYVVRZWUGRE-UHFFFAOYSA-N 1 1 459.394 4.725 20 0 JJADMO CCOc1cccc(CCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)n1 ZINC001453263169 1067291990 /nfs/dbraw/zinc/29/19/90/1067291990.db2.gz NSLWFSCEUWZIJZ-LOSJGSFVSA-N 1 1 464.009 4.708 20 0 JJADMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1nn(-c2cc(F)cc(F)c2)c2c1CCC2 ZINC001459320236 1067294028 /nfs/dbraw/zinc/29/40/28/1067294028.db2.gz ARCTZVFQTNXLGV-HSZRJFAPSA-N 1 1 452.549 4.526 20 0 JJADMO Cc1ccc(S(=O)(=O)N[C@@H](C[NH+]2CCC(Oc3ccccc3)CC2)c2ccccc2)cc1 ZINC001459353550 1067301713 /nfs/dbraw/zinc/30/17/13/1067301713.db2.gz ALWCFQBXUVOMJF-SANMLTNESA-N 1 1 450.604 4.558 20 0 JJADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2nc(-c3ccc(CCC)cc3)cs2)C1 ZINC001459361021 1067302908 /nfs/dbraw/zinc/30/29/08/1067302908.db2.gz BWWIZKNWQMNEBH-WIYYLYMNSA-N 1 1 456.656 4.718 20 0 JJADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2nc(-c3ccc(CCC)cc3)cs2)C1 ZINC001459361021 1067302920 /nfs/dbraw/zinc/30/29/20/1067302920.db2.gz BWWIZKNWQMNEBH-WIYYLYMNSA-N 1 1 456.656 4.718 20 0 JJADMO CC[N@H+](C)[C@H](C(=O)Nc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1)c1ccccc1 ZINC001453395322 1067303635 /nfs/dbraw/zinc/30/36/35/1067303635.db2.gz GVERJWIKJPQOJY-GOTSBHOMSA-N 1 1 453.583 4.627 20 0 JJADMO CC[N@@H+](C)[C@H](C(=O)Nc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1)c1ccccc1 ZINC001453395322 1067303646 /nfs/dbraw/zinc/30/36/46/1067303646.db2.gz GVERJWIKJPQOJY-GOTSBHOMSA-N 1 1 453.583 4.627 20 0 JJADMO CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)cc2)C1 ZINC001453400556 1067304400 /nfs/dbraw/zinc/30/44/00/1067304400.db2.gz NRRGLWZONFIKJT-NFBKMPQASA-N 1 1 457.615 4.588 20 0 JJADMO COCC[N@H+](CC(=O)N[C@@H](C)Cc1c(F)cccc1F)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001459373361 1067306309 /nfs/dbraw/zinc/30/63/09/1067306309.db2.gz BEOAVSMRQLMKAD-JKSUJKDBSA-N 1 1 458.471 4.740 20 0 JJADMO COCC[N@@H+](CC(=O)N[C@@H](C)Cc1c(F)cccc1F)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001459373361 1067306320 /nfs/dbraw/zinc/30/63/20/1067306320.db2.gz BEOAVSMRQLMKAD-JKSUJKDBSA-N 1 1 458.471 4.740 20 0 JJADMO Cc1ccc(C[N@@H+](Cc2ccco2)C[C@H](O)COc2cc(F)cc(Br)c2)s1 ZINC001459377221 1067307160 /nfs/dbraw/zinc/30/71/60/1067307160.db2.gz JUYFYZJMNVPQAR-KRWDZBQOSA-N 1 1 454.361 4.993 20 0 JJADMO Cc1ccc(C[N@H+](Cc2ccco2)C[C@H](O)COc2cc(F)cc(Br)c2)s1 ZINC001459377221 1067307167 /nfs/dbraw/zinc/30/71/67/1067307167.db2.gz JUYFYZJMNVPQAR-KRWDZBQOSA-N 1 1 454.361 4.993 20 0 JJADMO CC(C)[C@H]1CN(C(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001453490775 1067308902 /nfs/dbraw/zinc/30/89/02/1067308902.db2.gz CSDCYDQGYORASY-XMMPIXPASA-N 1 1 451.611 4.797 20 0 JJADMO COc1cccc(S(=O)(=O)CC[N@@H+](Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@H](C)[C@H]2C)c1 ZINC001459388302 1067310853 /nfs/dbraw/zinc/31/08/53/1067310853.db2.gz AWLMZMQYLQIKED-YCRNBWNJSA-N 1 1 459.608 4.525 20 0 JJADMO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+](Cc1ccc(-c2ccccc2C)s1)C(C)C ZINC001459387927 1067310906 /nfs/dbraw/zinc/31/09/06/1067310906.db2.gz GBLDCLKTUDKROO-UCQKPKSFSA-N 1 1 458.649 4.914 20 0 JJADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(F)(F)c1cccc(Br)c1 ZINC001459416748 1067318967 /nfs/dbraw/zinc/31/89/67/1067318967.db2.gz NTOQOKHUUZHXHG-LJQANCHMSA-N 1 1 451.355 4.958 20 0 JJADMO CN(C[C@@H]1CCC[N@H+](CC(=O)NCC2(c3ccccc3)CCCCC2)C1)C(=O)OC(C)(C)C ZINC001459416716 1067319010 /nfs/dbraw/zinc/31/90/10/1067319010.db2.gz UWPXVUKAUXJWDC-QFIPXVFZSA-N 1 1 457.659 4.584 20 0 JJADMO CN(C[C@@H]1CCC[N@@H+](CC(=O)NCC2(c3ccccc3)CCCCC2)C1)C(=O)OC(C)(C)C ZINC001459416716 1067319024 /nfs/dbraw/zinc/31/90/24/1067319024.db2.gz UWPXVUKAUXJWDC-QFIPXVFZSA-N 1 1 457.659 4.584 20 0 JJADMO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)Cc1cc(C)c(I)cc1C ZINC001459422530 1067320810 /nfs/dbraw/zinc/32/08/10/1067320810.db2.gz VWYYRVQNEYTASO-KRWDZBQOSA-N 1 1 451.348 4.719 20 0 JJADMO CC(C)[N@@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)C[C@@H](O)COc1cccc2ccccc21 ZINC001459444715 1067326030 /nfs/dbraw/zinc/32/60/30/1067326030.db2.gz CXXJOAWASRSYGW-LJQANCHMSA-N 1 1 453.489 4.818 20 0 JJADMO CC(C)[N@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)C[C@@H](O)COc1cccc2ccccc21 ZINC001459444715 1067326045 /nfs/dbraw/zinc/32/60/45/1067326045.db2.gz CXXJOAWASRSYGW-LJQANCHMSA-N 1 1 453.489 4.818 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+](CCc1ccccc1)C1CCCC1 ZINC001459453547 1067327069 /nfs/dbraw/zinc/32/70/69/1067327069.db2.gz MSZLIVPIROEXAY-UIOOFZCWSA-N 1 1 452.639 4.971 20 0 JJADMO O=C1[C@H]([NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)CCN1c1ccc(C(F)(F)F)cc1 ZINC001459455498 1067327831 /nfs/dbraw/zinc/32/78/31/1067327831.db2.gz LKPGLJOKVLKPKO-RTWAWAEBSA-N 1 1 452.904 4.910 20 0 JJADMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[N@H+](C)CCN(C)c1ccccc1 ZINC001459471435 1067333724 /nfs/dbraw/zinc/33/37/24/1067333724.db2.gz YVOXRQNDCVDBTE-JOCHJYFZSA-N 1 1 458.606 4.527 20 0 JJADMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[N@@H+](C)CCN(C)c1ccccc1 ZINC001459471435 1067333734 /nfs/dbraw/zinc/33/37/34/1067333734.db2.gz YVOXRQNDCVDBTE-JOCHJYFZSA-N 1 1 458.606 4.527 20 0 JJADMO C[N@@H+](Cc1cc(Br)cc(F)c1F)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC001459473122 1067334389 /nfs/dbraw/zinc/33/43/89/1067334389.db2.gz DITIQOMURSJTIG-CYBMUJFWSA-N 1 1 454.233 4.618 20 0 JJADMO C[N@H+](Cc1cc(Br)cc(F)c1F)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC001459473122 1067334398 /nfs/dbraw/zinc/33/43/98/1067334398.db2.gz DITIQOMURSJTIG-CYBMUJFWSA-N 1 1 454.233 4.618 20 0 JJADMO C[N@@H+](Cc1ccc(Cl)cc1Br)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001459479680 1067335442 /nfs/dbraw/zinc/33/54/42/1067335442.db2.gz AZMDFDAXMWWNCJ-OAHLLOKOSA-N 1 1 452.698 4.993 20 0 JJADMO C[N@H+](Cc1ccc(Cl)cc1Br)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001459479680 1067335452 /nfs/dbraw/zinc/33/54/52/1067335452.db2.gz AZMDFDAXMWWNCJ-OAHLLOKOSA-N 1 1 452.698 4.993 20 0 JJADMO O=C(C[N@H+](Cc1ccccc1)CC1CCOCC1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC001459483981 1067336158 /nfs/dbraw/zinc/33/61/58/1067336158.db2.gz PPDKCHWLPIJTNB-UHFFFAOYSA-N 1 1 457.546 4.956 20 0 JJADMO C[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC001459493632 1067337943 /nfs/dbraw/zinc/33/79/43/1067337943.db2.gz MAHOGNMRBUQYJG-FOIQADDNSA-N 1 1 457.334 4.880 20 0 JJADMO Cc1cccc(O[C@H](C)C(=O)N2CC[NH+](CC/C=C/c3ccc(Br)cc3)CC2)c1 ZINC001459493912 1067338413 /nfs/dbraw/zinc/33/84/13/1067338413.db2.gz YJWOTCQMIGNQKZ-WRSLSUIGSA-N 1 1 457.412 4.773 20 0 JJADMO Cc1cccc(O[C@H](C)C(=O)N2CC[NH+](CC/C=C\c3ccc(Br)cc3)CC2)c1 ZINC001459493885 1067338515 /nfs/dbraw/zinc/33/85/15/1067338515.db2.gz YJWOTCQMIGNQKZ-CNMWDZGZSA-N 1 1 457.412 4.773 20 0 JJADMO C[C@@H](c1nc(-c2cccs2)no1)N1CC[NH+](CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC001459501718 1067339611 /nfs/dbraw/zinc/33/96/11/1067339611.db2.gz JAVUNDDMFHLEMD-HNNXBMFYSA-N 1 1 452.502 4.575 20 0 JJADMO CC[C@@H]1C[N@@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001459510677 1067341578 /nfs/dbraw/zinc/34/15/78/1067341578.db2.gz DARJFHJTTSHQBM-YTFSRNRJSA-N 1 1 459.631 4.755 20 0 JJADMO CCc1ccc(C[NH+]2CCN([C@@H](C)C(=O)Nc3nc(-c4ccc(F)cc4)cs3)CC2)s1 ZINC001459516811 1067343065 /nfs/dbraw/zinc/34/30/65/1067343065.db2.gz MYKJYAXCKZOZEZ-INIZCTEOSA-N 1 1 458.628 4.718 20 0 JJADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC001459528957 1067345608 /nfs/dbraw/zinc/34/56/08/1067345608.db2.gz ZOEOIEQNXBPFJU-VQTJNVASSA-N 1 1 454.640 4.525 20 0 JJADMO COc1cc(C[N@@H+](C)CCc2nc3sc4c(c3c(N)n2)CCCC4)c(SC)cc1OC ZINC001459532348 1067346721 /nfs/dbraw/zinc/34/67/21/1067346721.db2.gz XBVMEPHDYIRQHC-UHFFFAOYSA-N 1 1 458.653 4.566 20 0 JJADMO CO[C@]1(C)C[C@@H]([N@@H+](C)CC(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1(C)C ZINC001459554988 1067349932 /nfs/dbraw/zinc/34/99/32/1067349932.db2.gz BIIQKKQNURAQCK-AUZMWRNASA-N 1 1 451.611 4.594 20 0 JJADMO COc1ccc2c(c1)[C@@H]([N@H+](Cc1ccccc1)C[C@H](O)c1cc(Br)no1)CCO2 ZINC001459566563 1067353586 /nfs/dbraw/zinc/35/35/86/1067353586.db2.gz AYOBKBHWWHKRFZ-OALUTQOASA-N 1 1 459.340 4.505 20 0 JJADMO CC(C)[C@@H](CC[N@H+](C)CC(=O)Nc1nc(-c2cccs2)cs1)NC(=O)OC(C)(C)C ZINC001459566919 1067354111 /nfs/dbraw/zinc/35/41/11/1067354111.db2.gz WUGJSFLGUFDMBN-OAHLLOKOSA-N 1 1 452.646 4.681 20 0 JJADMO CC(C)[C@@H](CC[N@@H+](C)CC(=O)Nc1nc(-c2cccs2)cs1)NC(=O)OC(C)(C)C ZINC001459566919 1067354120 /nfs/dbraw/zinc/35/41/20/1067354120.db2.gz WUGJSFLGUFDMBN-OAHLLOKOSA-N 1 1 452.646 4.681 20 0 JJADMO COc1ccc([C@@H](CNC(=O)OC(C)(C)C)C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC001459598905 1067360316 /nfs/dbraw/zinc/36/03/16/1067360316.db2.gz ONUQDLZAEGHHFJ-QFIPXVFZSA-N 1 1 450.583 4.729 20 0 JJADMO COc1ccc([C@@H](CNC(=O)OC(C)(C)C)C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC001459598905 1067360328 /nfs/dbraw/zinc/36/03/28/1067360328.db2.gz ONUQDLZAEGHHFJ-QFIPXVFZSA-N 1 1 450.583 4.729 20 0 JJADMO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC001459605932 1067361171 /nfs/dbraw/zinc/36/11/71/1067361171.db2.gz DWLLZZFTSVJMSB-XMMPIXPASA-N 1 1 451.014 4.986 20 0 JJADMO CCC1(CC)CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546110464 1067362903 /nfs/dbraw/zinc/36/29/03/1067362903.db2.gz AJGUNULLUICKNY-KDURUIRLSA-N 1 1 474.719 4.538 20 0 JJADMO CN(CCOc1ccccc1F)C(=O)C[N@@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001459612412 1067364295 /nfs/dbraw/zinc/36/42/95/1067364295.db2.gz GKWCMQWMLQBDFC-QGZVFWFLSA-N 1 1 455.357 4.513 20 0 JJADMO CN(CCOc1ccccc1F)C(=O)C[N@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001459612412 1067364305 /nfs/dbraw/zinc/36/43/05/1067364305.db2.gz GKWCMQWMLQBDFC-QGZVFWFLSA-N 1 1 455.357 4.513 20 0 JJADMO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC001459615928 1067365160 /nfs/dbraw/zinc/36/51/60/1067365160.db2.gz PBYGSTVYZWFAEI-XUFREYRYSA-N 1 1 451.611 4.879 20 0 JJADMO C[C@@H](NC(=O)[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC001459615928 1067365167 /nfs/dbraw/zinc/36/51/67/1067365167.db2.gz PBYGSTVYZWFAEI-XUFREYRYSA-N 1 1 451.611 4.879 20 0 JJADMO COc1ccc(C[NH+]2CCC(Oc3ccccc3I)CC2)cc1Cl ZINC001459627266 1067367701 /nfs/dbraw/zinc/36/77/01/1067367701.db2.gz JZJBHQDSCUXOII-UHFFFAOYSA-N 1 1 457.739 4.997 20 0 JJADMO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c1 ZINC001459629847 1067368432 /nfs/dbraw/zinc/36/84/32/1067368432.db2.gz DVGHXFUJAZBSPO-HSZRJFAPSA-N 1 1 457.574 4.725 20 0 JJADMO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c1 ZINC001459629847 1067368442 /nfs/dbraw/zinc/36/84/42/1067368442.db2.gz DVGHXFUJAZBSPO-HSZRJFAPSA-N 1 1 457.574 4.725 20 0 JJADMO CCOC(=O)c1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](c3ccccc3OC)C2)sc2c1CCCC2 ZINC001459648003 1067371334 /nfs/dbraw/zinc/37/13/34/1067371334.db2.gz XJOIGFDKSPTZQB-SJORKVTESA-N 1 1 456.608 4.629 20 0 JJADMO CCOC(=O)c1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](c3ccccc3OC)C2)sc2c1CCCC2 ZINC001459648003 1067371342 /nfs/dbraw/zinc/37/13/42/1067371342.db2.gz XJOIGFDKSPTZQB-SJORKVTESA-N 1 1 456.608 4.629 20 0 JJADMO C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001459649199 1067371503 /nfs/dbraw/zinc/37/15/03/1067371503.db2.gz DQWFIVRYKHCUCT-MOPGFXCFSA-N 1 1 458.599 4.889 20 0 JJADMO C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001459649199 1067371513 /nfs/dbraw/zinc/37/15/13/1067371513.db2.gz DQWFIVRYKHCUCT-MOPGFXCFSA-N 1 1 458.599 4.889 20 0 JJADMO C[N@H+]1CCC[C@H]2CN(CC(=O)Nc3ccc(Oc4ccc(Br)cc4)cc3)CC[C@H]21 ZINC001459657876 1067373166 /nfs/dbraw/zinc/37/31/66/1067373166.db2.gz QVYPHIWONWGJRA-HTAPYJJXSA-N 1 1 458.400 4.596 20 0 JJADMO C[N@H+]1CCC[C@@H]2CN(CC(=O)Nc3ccc(Oc4ccc(Br)cc4)cc3)CC[C@H]21 ZINC001459657878 1067373558 /nfs/dbraw/zinc/37/35/58/1067373558.db2.gz QVYPHIWONWGJRA-VGOFRKELSA-N 1 1 458.400 4.596 20 0 JJADMO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[N@@H+](C)[C@H]1C[C@H](OCC)C12CCC2 ZINC001459664666 1067376191 /nfs/dbraw/zinc/37/61/91/1067376191.db2.gz AWTRDRYPKURBLS-SFTDATJTSA-N 1 1 456.608 4.810 20 0 JJADMO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[N@H+](C)[C@H]1C[C@H](OCC)C12CCC2 ZINC001459664666 1067376201 /nfs/dbraw/zinc/37/62/01/1067376201.db2.gz AWTRDRYPKURBLS-SFTDATJTSA-N 1 1 456.608 4.810 20 0 JJADMO CS(=O)(=O)c1ccc(-c2nc(C[N@@H+]3CCCCC[C@@H]3C[C@@H](O)c3ccccc3)co2)cc1 ZINC001459669548 1067378385 /nfs/dbraw/zinc/37/83/85/1067378385.db2.gz IXQPMQDDFUUMRH-ISKFKSNPSA-N 1 1 454.592 4.613 20 0 JJADMO CS(=O)(=O)c1ccc(-c2nc(C[N@H+]3CCCCC[C@@H]3C[C@@H](O)c3ccccc3)co2)cc1 ZINC001459669548 1067378397 /nfs/dbraw/zinc/37/83/97/1067378397.db2.gz IXQPMQDDFUUMRH-ISKFKSNPSA-N 1 1 454.592 4.613 20 0 JJADMO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC001459672250 1067379156 /nfs/dbraw/zinc/37/91/56/1067379156.db2.gz YMZZXSOWUCBSDG-LJQANCHMSA-N 1 1 454.014 4.879 20 0 JJADMO CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2cc(-c3cc(C)cc(C)c3)nn2-c2ccccc2)[C@@H](C)C1 ZINC001459671942 1067379287 /nfs/dbraw/zinc/37/92/87/1067379287.db2.gz WTZCSELQTGIOOS-BKMJKUGQSA-N 1 1 459.638 4.757 20 0 JJADMO C[C@@H](c1ccc(Cl)cc1)[N@H+](CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)C1CC1 ZINC001459674887 1067380021 /nfs/dbraw/zinc/38/00/21/1067380021.db2.gz DEFWZGKWWJMKBD-KRWDZBQOSA-N 1 1 458.027 4.693 20 0 JJADMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)C1CC1 ZINC001459674887 1067380026 /nfs/dbraw/zinc/38/00/26/1067380026.db2.gz DEFWZGKWWJMKBD-KRWDZBQOSA-N 1 1 458.027 4.693 20 0 JJADMO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC001459682698 1067382126 /nfs/dbraw/zinc/38/21/26/1067382126.db2.gz STGOCMWDBOYWCK-HNNXBMFYSA-N 1 1 454.596 4.570 20 0 JJADMO O=C(CC[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)Nc1cccc2ccccc21 ZINC001459690033 1067384988 /nfs/dbraw/zinc/38/49/88/1067384988.db2.gz NLAUOAICOBOJCN-UHFFFAOYSA-N 1 1 456.373 4.933 20 0 JJADMO CC[C@@H](C)[N@@H+](CCC(=O)Nc1ccc(Br)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC001459698260 1067387261 /nfs/dbraw/zinc/38/72/61/1067387261.db2.gz YGJNPHSYVSQJBG-OAHLLOKOSA-N 1 1 457.372 4.727 20 0 JJADMO CCCc1ccc(-c2csc(NC(=O)C[NH2+][C@@H](c3ccccc3)[C@@H](C)C(=O)OC)n2)cc1 ZINC001459703533 1067388462 /nfs/dbraw/zinc/38/84/62/1067388462.db2.gz FDNZTDPRZFCARR-UZUQRXQVSA-N 1 1 451.592 4.841 20 0 JJADMO Cc1ccc(C[NH+]2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)cc1Br ZINC001459702939 1067388658 /nfs/dbraw/zinc/38/86/58/1067388658.db2.gz YCLBBTBUUURFEU-HNNXBMFYSA-N 1 1 457.368 4.572 20 0 JJADMO CCCCn1c(C[N@H+]2CCC[C@H](C)[C@@H]2CCC)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC001459706941 1067389653 /nfs/dbraw/zinc/38/96/53/1067389653.db2.gz BZFYRUVJKFATEI-FPOVZHCZSA-N 1 1 451.615 4.548 20 0 JJADMO C[C@@]([NH2+]Cc1ccc(Br)c2cccnc12)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC001459709701 1067390880 /nfs/dbraw/zinc/39/08/80/1067390880.db2.gz YGJLBQSIRUKMMR-IBGZPJMESA-N 1 1 452.274 4.506 20 0 JJADMO Cc1cc(C)cc(OCc2noc(C[NH2+][C@@]3(CNC(=O)OC(C)(C)C)CCCC[C@H]3C)n2)c1 ZINC001459716747 1067394384 /nfs/dbraw/zinc/39/43/84/1067394384.db2.gz GWWYKVJKYGJXFD-KBMIEXCESA-N 1 1 458.603 4.829 20 0 JJADMO COc1ccc([C@@H](CNC(=O)C[N@H+](C)[C@H](C)c2cccc(O)c2)c2c[nH]c3ccccc32)cc1 ZINC001459718422 1067394631 /nfs/dbraw/zinc/39/46/31/1067394631.db2.gz KJTUVVZXMGSCJW-KBMIEXCESA-N 1 1 457.574 4.823 20 0 JJADMO COc1ccc([C@@H](CNC(=O)C[N@@H+](C)[C@H](C)c2cccc(O)c2)c2c[nH]c3ccccc32)cc1 ZINC001459718422 1067394640 /nfs/dbraw/zinc/39/46/40/1067394640.db2.gz KJTUVVZXMGSCJW-KBMIEXCESA-N 1 1 457.574 4.823 20 0 JJADMO COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC001459720139 1067395600 /nfs/dbraw/zinc/39/56/00/1067395600.db2.gz BWVYHCSDAXLVNG-MRXNPFEDSA-N 1 1 453.808 4.998 20 0 JJADMO C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)c1ccc2c(c1)CCCC2 ZINC001459724839 1067396670 /nfs/dbraw/zinc/39/66/70/1067396670.db2.gz ZBOIRNSUQKUVPT-AZXNSQLWSA-N 1 1 457.659 4.756 20 0 JJADMO COC(=O)Nc1ccc(CNC(=O)C[N@@H+](Cc2ccc(C)cc2)[C@H]2CCc3ccccc32)cc1 ZINC001459751359 1067406277 /nfs/dbraw/zinc/40/62/77/1067406277.db2.gz ZYHASFNRSSCJCC-SANMLTNESA-N 1 1 457.574 4.979 20 0 JJADMO CC(C)[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C[C@H](O)COCc1ccccc1 ZINC001459754517 1067407946 /nfs/dbraw/zinc/40/79/46/1067407946.db2.gz QVVKOEITCAKSRN-SFHVURJKSA-N 1 1 458.908 4.585 20 0 JJADMO C[C@H](OCCCNC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)c1ccccc1 ZINC001459757866 1067409888 /nfs/dbraw/zinc/40/98/88/1067409888.db2.gz AMOQDEWIKITVSN-FXAWDEMLSA-N 1 1 451.394 4.731 20 0 JJADMO C[C@H](OCCCNC(=O)C[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)c1ccccc1 ZINC001459757866 1067409890 /nfs/dbraw/zinc/40/98/90/1067409890.db2.gz AMOQDEWIKITVSN-FXAWDEMLSA-N 1 1 451.394 4.731 20 0 JJADMO Cc1ccc(S(=O)(=O)N[C@H](CC[N@H+](C)[C@H](C)Cc2ccc(O)cc2)c2ccccc2)cc1 ZINC001459762267 1067412466 /nfs/dbraw/zinc/41/24/66/1067412466.db2.gz HQSYMRAIZHBQOQ-QFQXNSOFSA-N 1 1 452.620 4.673 20 0 JJADMO CC[N@@H+](CC(=O)NC1CCC2(CC1)OCCO2)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC001459771842 1067415609 /nfs/dbraw/zinc/41/56/09/1067415609.db2.gz MGDJCKZFEDQQEP-HXUWFJFHSA-N 1 1 452.595 4.547 20 0 JJADMO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C1(C(N)=O)CCCC1 ZINC001459774396 1067416733 /nfs/dbraw/zinc/41/67/33/1067416733.db2.gz NDJUKBJGJHKCOE-UHFFFAOYSA-N 1 1 453.384 4.532 20 0 JJADMO CN(CCC1CC[NH+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)CC1)C(=O)OC(C)(C)C ZINC001459775818 1067417230 /nfs/dbraw/zinc/41/72/30/1067417230.db2.gz XWVLLOMRFGVQFC-OAQYLSRUSA-N 1 1 450.023 4.804 20 0 JJADMO O=C(C[N@@H+]([C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCC[C@H](C(F)(F)F)C1)Nc1cnccn1 ZINC001459781002 1067418191 /nfs/dbraw/zinc/41/81/91/1067418191.db2.gz YZUYRTWCKQVMBV-QKPAOTATSA-N 1 1 452.443 4.959 20 0 JJADMO CC[NH+](CC)[C@@H](C(=O)Nc1ccc(F)c(N2CCOC2=O)c1)c1cccc(C(F)(F)F)c1 ZINC001459781659 1067418786 /nfs/dbraw/zinc/41/87/86/1067418786.db2.gz VICLBACKMABCDW-LJQANCHMSA-N 1 1 453.436 4.823 20 0 JJADMO C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001459782405 1067419515 /nfs/dbraw/zinc/41/95/15/1067419515.db2.gz YPXVFKQFVHRFTF-OPYAIIAOSA-N 1 1 450.023 4.629 20 0 JJADMO CC(C)NC(=O)c1ccccc1NC(=O)C[N@H+]1CCc2ccccc2[C@@H](c2ccccc2)[C@H]1C ZINC001459784842 1067421038 /nfs/dbraw/zinc/42/10/38/1067421038.db2.gz GNZKBFIBXFRYAO-LYZGTLIUSA-N 1 1 455.602 4.842 20 0 JJADMO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C[N@@H+](Cc1csc(Br)c1)C1CC1)O2 ZINC001459794671 1067426735 /nfs/dbraw/zinc/42/67/35/1067426735.db2.gz CJNUDTVNJGMIMW-MRXNPFEDSA-N 1 1 457.434 4.644 20 0 JJADMO COc1cc(C[N@H+](Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)c(Br)cn1 ZINC001459794468 1067426744 /nfs/dbraw/zinc/42/67/44/1067426744.db2.gz BAHSPRLCOCUMIK-DEOSSOPVSA-N 1 1 453.380 4.689 20 0 JJADMO COc1cc(C[N@@H+](Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)c(Br)cn1 ZINC001459794468 1067426747 /nfs/dbraw/zinc/42/67/47/1067426747.db2.gz BAHSPRLCOCUMIK-DEOSSOPVSA-N 1 1 453.380 4.689 20 0 JJADMO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC001459794790 1067427068 /nfs/dbraw/zinc/42/70/68/1067427068.db2.gz FAMNYUNNWDUICF-OALUTQOASA-N 1 1 456.608 4.506 20 0 JJADMO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC001459794790 1067427072 /nfs/dbraw/zinc/42/70/72/1067427072.db2.gz FAMNYUNNWDUICF-OALUTQOASA-N 1 1 456.608 4.506 20 0 JJADMO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC001459794789 1067427139 /nfs/dbraw/zinc/42/71/39/1067427139.db2.gz FAMNYUNNWDUICF-MOPGFXCFSA-N 1 1 456.608 4.506 20 0 JJADMO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC001459794789 1067427142 /nfs/dbraw/zinc/42/71/42/1067427142.db2.gz FAMNYUNNWDUICF-MOPGFXCFSA-N 1 1 456.608 4.506 20 0 JJADMO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001459797033 1067427685 /nfs/dbraw/zinc/42/76/85/1067427685.db2.gz NHFINHHGBRYAPL-XQXKNUKBSA-N 1 1 459.631 4.515 20 0 JJADMO COc1ccc(N=c2scc(C[N@H+]3CCC[C@](C)(CO)C3)n2[C@@H](C)c2ccccc2)cc1 ZINC001459798533 1067428600 /nfs/dbraw/zinc/42/86/00/1067428600.db2.gz SUWPDFJRUBXRGN-FNZWTVRRSA-N 1 1 451.636 4.994 20 0 JJADMO O=C(C[N@@H+](Cc1ccccc1)C[C@]1(O)CCc2ccccc21)Nc1cccc(C(F)(F)F)c1 ZINC001459798983 1067428618 /nfs/dbraw/zinc/42/86/18/1067428618.db2.gz WSUOTBVWMGMDCG-RUZDIDTESA-N 1 1 454.492 4.980 20 0 JJADMO CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)C[NH2+][C@@H](CO)c1ccccc1 ZINC001459808194 1067432200 /nfs/dbraw/zinc/43/22/00/1067432200.db2.gz LTPPHNLVUADMFS-IBGZPJMESA-N 1 1 458.967 4.507 20 0 JJADMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC001459810992 1067433245 /nfs/dbraw/zinc/43/32/45/1067433245.db2.gz UFHFXAJYACARCO-NZQKXSOJSA-N 1 1 454.014 4.759 20 0 JJADMO CCC[C@H]1CN([C@H]2CCc3cc(Br)ccc3NC2=O)CC[N@H+]1Cc1ccccc1 ZINC001459812189 1067433949 /nfs/dbraw/zinc/43/39/49/1067433949.db2.gz CIFYAVPNKFMTTF-GMAHTHKFSA-N 1 1 456.428 4.689 20 0 JJADMO O=C(C[NH2+]C1(c2ccc(F)cc2F)CCCC1)Nc1ccccc1I ZINC001459815730 1067435334 /nfs/dbraw/zinc/43/53/34/1067435334.db2.gz DHADPCPUCRUOCI-UHFFFAOYSA-N 1 1 456.274 4.567 20 0 JJADMO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC001459814694 1067435359 /nfs/dbraw/zinc/43/53/59/1067435359.db2.gz WORJFKQAYWYIBH-ICSRJNTNSA-N 1 1 457.640 4.723 20 0 JJADMO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC001459814694 1067435362 /nfs/dbraw/zinc/43/53/62/1067435362.db2.gz WORJFKQAYWYIBH-ICSRJNTNSA-N 1 1 457.640 4.723 20 0 JJADMO CCC[C@H]1CN([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC[N@H+]1Cc1ccccc1 ZINC001459815861 1067436069 /nfs/dbraw/zinc/43/60/69/1067436069.db2.gz UUVYWFDPORNZII-LADGPHEKSA-N 1 1 457.565 4.770 20 0 JJADMO CN(C(=O)C[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1)c1nc2ccccc2s1 ZINC001459817302 1067436454 /nfs/dbraw/zinc/43/64/54/1067436454.db2.gz ZTMZNWXMMGUYOW-QFIPXVFZSA-N 1 1 458.578 4.743 20 0 JJADMO COCc1cccc(OCC2(C[NH+]3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)CCC2)c1 ZINC001459818059 1067437156 /nfs/dbraw/zinc/43/71/56/1067437156.db2.gz DOQFGMWAJNEYEI-UHFFFAOYSA-N 1 1 458.002 4.885 20 0 JJADMO CCC1(CC)CCN(c2nnc(Cn3nc(C)cc3C)n2CCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001546112101 1067439258 /nfs/dbraw/zinc/43/92/58/1067439258.db2.gz CTGYTUFZHNJMNA-OAQYLSRUSA-N 1 1 455.695 4.668 20 0 JJADMO C[C@H]([NH2+][C@H]1CN(C(=O)OC(C)(C)C)c2ccccc2[C@@H]1O)c1ccc(F)cc1OC(F)F ZINC001459825958 1067440811 /nfs/dbraw/zinc/44/08/11/1067440811.db2.gz VWFPVIFUVFJDJH-ROOHIHILSA-N 1 1 452.473 4.935 20 0 JJADMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cccnc1Oc1ccc(F)cc1Br ZINC001459825342 1067440833 /nfs/dbraw/zinc/44/08/33/1067440833.db2.gz GRKRSYPPIXEPIW-SFHVURJKSA-N 1 1 450.352 4.626 20 0 JJADMO C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC001459825603 1067440865 /nfs/dbraw/zinc/44/08/65/1067440865.db2.gz RVYQRNOEDJUOTO-KBPBESRZSA-N 1 1 451.901 4.746 20 0 JJADMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 ZINC001459827752 1067441684 /nfs/dbraw/zinc/44/16/84/1067441684.db2.gz WEMHUHUWRLTFDL-HSZRJFAPSA-N 1 1 459.700 4.858 20 0 JJADMO Cc1cc(Br)cc2cc([C@@H](C(C)C)[N@H+](C)Cc3nc4c(cnn4C)c(=O)[nH]3)oc21 ZINC001459831177 1067443618 /nfs/dbraw/zinc/44/36/18/1067443618.db2.gz BAEHHOXCJMNHIT-GOSISDBHSA-N 1 1 458.360 4.715 20 0 JJADMO Cc1cc(Br)cc2cc([C@@H](C(C)C)[N@@H+](C)Cc3nc4c(cnn4C)c(=O)[nH]3)oc21 ZINC001459831177 1067443624 /nfs/dbraw/zinc/44/36/24/1067443624.db2.gz BAEHHOXCJMNHIT-GOSISDBHSA-N 1 1 458.360 4.715 20 0 JJADMO C[N@@H+](C[C@@H](O)CN[C@@H](Cc1c(F)cccc1Cl)c1ccccc1Br)C1CC1 ZINC001459842182 1067449076 /nfs/dbraw/zinc/44/90/76/1067449076.db2.gz FUBANWLUGOTIPN-BTYIYWSLSA-N 1 1 455.799 4.570 20 0 JJADMO O[C@H](C[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1)c1ccc(F)c(Br)c1 ZINC001459851038 1067456088 /nfs/dbraw/zinc/45/60/88/1067456088.db2.gz GFBJYITZJDCSGL-VQIMIIECSA-N 1 1 451.384 4.667 20 0 JJADMO O[C@H](C[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1)c1ccc(F)c(Br)c1 ZINC001459851038 1067456092 /nfs/dbraw/zinc/45/60/92/1067456092.db2.gz GFBJYITZJDCSGL-VQIMIIECSA-N 1 1 451.384 4.667 20 0 JJADMO C[S@@](=O)C[C@@H]([NH2+]CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)c1ccccc1 ZINC001459855804 1067459269 /nfs/dbraw/zinc/45/92/69/1067459269.db2.gz ZPRGAQBSJRVAOX-ZBSNKRKSSA-N 1 1 454.206 4.948 20 0 JJADMO CCC1(CC)CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001546112307 1067459893 /nfs/dbraw/zinc/45/98/93/1067459893.db2.gz MDNFERDBEBCOHP-XMMPIXPASA-N 1 1 483.701 4.991 20 0 JJADMO C[C@@H]([NH2+]Cc1cc2c(cc1Br)OCO2)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001459857574 1067459993 /nfs/dbraw/zinc/45/99/93/1067459993.db2.gz JSABGZIBBOBYFE-CQSZACIVSA-N 1 1 454.324 4.676 20 0 JJADMO COc1cccc(OC)c1OC[C@H](O)C[N@@H+](C)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001459871314 1067467406 /nfs/dbraw/zinc/46/74/06/1067467406.db2.gz REVYSOUHTAZJPY-AQNXPRMDSA-N 1 1 453.501 4.730 20 0 JJADMO CC[C@H]1C[N@H+](Cc2csc(-c3cccc(C(=O)OC)c3)n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001459889799 1067474665 /nfs/dbraw/zinc/47/46/65/1067474665.db2.gz IJMPZJYUMAUXCW-JXFKEZNVSA-N 1 1 459.612 4.722 20 0 JJADMO CC[C@H]1C[N@@H+](Cc2csc(-c3cccc(C(=O)OC)c3)n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001459889799 1067474669 /nfs/dbraw/zinc/47/46/69/1067474669.db2.gz IJMPZJYUMAUXCW-JXFKEZNVSA-N 1 1 459.612 4.722 20 0 JJADMO CCN(Cc1noc(Cc2ccc(Br)cc2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001459905241 1067482521 /nfs/dbraw/zinc/48/25/21/1067482521.db2.gz ZWRKEXNUODLSIR-OAQYLSRUSA-N 1 1 455.400 4.519 20 0 JJADMO CC(C)[C@@H](NCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(Cl)cc1F ZINC001459919649 1067491301 /nfs/dbraw/zinc/49/13/01/1067491301.db2.gz BOJMTLQLCCPGSW-HSZRJFAPSA-N 1 1 450.023 4.953 20 0 JJADMO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)c1nc(C)cs1 ZINC001459930395 1067495953 /nfs/dbraw/zinc/49/59/53/1067495953.db2.gz YRTBKBUZHJMPKW-APWZRJJASA-N 1 1 452.580 4.780 20 0 JJADMO O=C(C[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC001459930431 1067496054 /nfs/dbraw/zinc/49/60/54/1067496054.db2.gz IUKNKTMXRNCILU-IBGZPJMESA-N 1 1 452.860 4.558 20 0 JJADMO CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC001459933209 1067497454 /nfs/dbraw/zinc/49/74/54/1067497454.db2.gz JSLJOQAYYWPJHH-NRFANRHFSA-N 1 1 452.599 4.873 20 0 JJADMO CCC[N@@H+](C)[C@@H](CNC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)c1ccc(Cl)cc1 ZINC001459942159 1067500659 /nfs/dbraw/zinc/50/06/59/1067500659.db2.gz LAHXHADTMLMTIL-IBGZPJMESA-N 1 1 456.940 4.633 20 0 JJADMO CCC[N@@H+](C)[C@H](CNC(=O)[C@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1)c1ccc(Cl)cc1 ZINC001459947889 1067503022 /nfs/dbraw/zinc/50/30/22/1067503022.db2.gz YOHPBGPOBGOQGU-XUZZJYLKSA-N 1 1 456.030 4.899 20 0 JJADMO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3ccncc3)CC2)cc1 ZINC001459952885 1067505425 /nfs/dbraw/zinc/50/54/25/1067505425.db2.gz QOKFXFZVSOSNQD-IBGZPJMESA-N 1 1 458.562 4.549 20 0 JJADMO O=C(NC1CC1)[C@H](c1ccc(F)cc1)[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC001459971007 1067510793 /nfs/dbraw/zinc/51/07/93/1067510793.db2.gz DLKOWRCEIVQXAD-QFIPXVFZSA-N 1 1 450.476 4.955 20 0 JJADMO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)CCCc1ccccc1Br ZINC001459975296 1067512227 /nfs/dbraw/zinc/51/22/27/1067512227.db2.gz WYVZALMYVKMQPV-QGZVFWFLSA-N 1 1 451.430 4.615 20 0 JJADMO CC[C@@H](Cc1ccccc1Br)[N@@H+](C)CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC001459978922 1067514008 /nfs/dbraw/zinc/51/40/08/1067514008.db2.gz GTDCTPUNJZFZMN-FQEVSTJZSA-N 1 1 459.432 4.726 20 0 JJADMO Cn1c2ccccc2nc1[C@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC001459982504 1067515335 /nfs/dbraw/zinc/51/53/35/1067515335.db2.gz FMAQZVLKRNAHSS-AUSIDOKSSA-N 1 1 455.480 4.711 20 0 JJADMO Cn1c2ccccc2nc1[C@H]([NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC001459987654 1067516301 /nfs/dbraw/zinc/51/63/01/1067516301.db2.gz UBNSLKOAYAVJOX-AUSIDOKSSA-N 1 1 456.373 4.999 20 0 JJADMO CC[C@]1(CO)CCC[N@@H+](C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001459992976 1067518483 /nfs/dbraw/zinc/51/84/83/1067518483.db2.gz FWPTYEPFMQGGMC-UPVQGACJSA-N 1 1 452.422 4.945 20 0 JJADMO CC[C@]1(CO)CCC[N@@H+](C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001459993000 1067518507 /nfs/dbraw/zinc/51/85/07/1067518507.db2.gz FWPTYEPFMQGGMC-VWNXMTODSA-N 1 1 452.422 4.945 20 0 JJADMO CCOC(=O)c1c(C)[nH]c(C(=O)C[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)c1C ZINC001459999028 1067520696 /nfs/dbraw/zinc/52/06/96/1067520696.db2.gz QYBKHMRHEBMWTL-HXUWFJFHSA-N 1 1 451.336 4.633 20 0 JJADMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NCc1noc(Cc2ccc(Br)cc2)n1 ZINC001459999277 1067521174 /nfs/dbraw/zinc/52/11/74/1067521174.db2.gz UMEYLEXBWZHZET-OAQYLSRUSA-N 1 1 457.416 4.669 20 0 JJADMO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+]3C[C@H](C)C[C@H]3c3cccnc3)cc2)cc1 ZINC001459999429 1067521204 /nfs/dbraw/zinc/52/12/04/1067521204.db2.gz ZEMISGQYIYAGCT-CLOONOSVSA-N 1 1 458.562 4.754 20 0 JJADMO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@H+]3C[C@H](C)C[C@H]3c3cccnc3)cc2)cc1 ZINC001459999429 1067521216 /nfs/dbraw/zinc/52/12/16/1067521216.db2.gz ZEMISGQYIYAGCT-CLOONOSVSA-N 1 1 458.562 4.754 20 0 JJADMO OC[C@@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1ccc(Cl)cc1C(F)(F)F ZINC001460014918 1067528414 /nfs/dbraw/zinc/52/84/14/1067528414.db2.gz GJYLNSCZKRENOZ-CQSZACIVSA-N 1 1 452.654 4.673 20 0 JJADMO CCOc1ccccc1[C@@H](CC)NC(=O)C[NH+]1CCC(F)(c2cc(OC)cc(OC)c2)CC1 ZINC001460018415 1067529666 /nfs/dbraw/zinc/52/96/66/1067529666.db2.gz DADNQVHWZQHYJN-HSZRJFAPSA-N 1 1 458.574 4.631 20 0 JJADMO CCOC(=O)[C@]1(C(C)C)CC[N@H+]([C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC001460018878 1067530126 /nfs/dbraw/zinc/53/01/26/1067530126.db2.gz KLMHRPMAIJLLHK-UQBPGWFLSA-N 1 1 455.624 4.612 20 0 JJADMO CCOC(=O)[C@]1(C(C)C)CC[N@H+]([C@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC001460018872 1067530232 /nfs/dbraw/zinc/53/02/32/1067530232.db2.gz KLMHRPMAIJLLHK-KBMIEXCESA-N 1 1 455.624 4.612 20 0 JJADMO CCOCc1ccccc1CNC(=O)C[NH+]1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC001460018984 1067530247 /nfs/dbraw/zinc/53/02/47/1067530247.db2.gz KUFAVCZRDWNREI-UHFFFAOYSA-N 1 1 452.492 4.819 20 0 JJADMO CC(C)(C)n1cc(C[N@H+](CCOc2cccc(Br)c2)C[C@H]2CCCS2)nn1 ZINC001460038535 1067536121 /nfs/dbraw/zinc/53/61/21/1067536121.db2.gz MOSDBZKBCPQQFA-LJQANCHMSA-N 1 1 453.450 4.572 20 0 JJADMO CC(C)(C)n1cc(C[N@@H+](CCOc2cccc(Br)c2)C[C@H]2CCCS2)nn1 ZINC001460038535 1067536126 /nfs/dbraw/zinc/53/61/26/1067536126.db2.gz MOSDBZKBCPQQFA-LJQANCHMSA-N 1 1 453.450 4.572 20 0 JJADMO CC(C)(C)OC(=O)NCCC[N@@H+](Cc1ccccc1)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC001460051811 1067539598 /nfs/dbraw/zinc/53/95/98/1067539598.db2.gz OXFUWAIIERAULZ-XMMPIXPASA-N 1 1 451.611 4.595 20 0 JJADMO Cn1c(C[N@@H+]2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)nc2ccc(Br)cc21 ZINC001460067057 1067544717 /nfs/dbraw/zinc/54/47/17/1067544717.db2.gz CZLCFGDIZJGXFB-MRXNPFEDSA-N 1 1 451.409 4.605 20 0 JJADMO Cn1c(C[N@H+]2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)nc2ccc(Br)cc21 ZINC001460067057 1067544726 /nfs/dbraw/zinc/54/47/26/1067544726.db2.gz CZLCFGDIZJGXFB-MRXNPFEDSA-N 1 1 451.409 4.605 20 0 JJADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@H](C)C(=O)Nc3ccc(Br)cc3)C2)s1 ZINC001460076322 1067547626 /nfs/dbraw/zinc/54/76/26/1067547626.db2.gz SRQNSXXZXUAPDO-SJORKVTESA-N 1 1 450.446 4.600 20 0 JJADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@@H](C)C(=O)Nc3ccc(Br)cc3)C2)s1 ZINC001460076314 1067547759 /nfs/dbraw/zinc/54/77/59/1067547759.db2.gz SRQNSXXZXUAPDO-DLBZAZTESA-N 1 1 450.446 4.600 20 0 JJADMO FC(F)(F)c1ccc(N2CC[NH+](Cc3cccc(CN4CCOCC4)c3)CC2)c(Cl)c1 ZINC001460076735 1067548073 /nfs/dbraw/zinc/54/80/73/1067548073.db2.gz PWKJBRVHESWZFV-UHFFFAOYSA-N 1 1 453.936 4.513 20 0 JJADMO CN(C(=O)C[N@H+](C)CCc1nc(-c2ccccc2)no1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC001460089044 1067551373 /nfs/dbraw/zinc/55/13/73/1067551373.db2.gz JADZQNSXUHIESF-AREMUKBSSA-N 1 1 458.537 4.598 20 0 JJADMO CN(C(=O)C[N@@H+](C)CCc1nc(-c2ccccc2)no1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC001460089044 1067551379 /nfs/dbraw/zinc/55/13/79/1067551379.db2.gz JADZQNSXUHIESF-AREMUKBSSA-N 1 1 458.537 4.598 20 0 JJADMO C[C@@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cc(F)c(Cl)cc1F ZINC001460097481 1067554247 /nfs/dbraw/zinc/55/42/47/1067554247.db2.gz VNECKVFRERAWGW-LLVKDONJSA-N 1 1 458.734 4.773 20 0 JJADMO C[C@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cc(F)c(Cl)cc1F ZINC001460097484 1067554538 /nfs/dbraw/zinc/55/45/38/1067554538.db2.gz VNECKVFRERAWGW-NSHDSACASA-N 1 1 458.734 4.773 20 0 JJADMO C[C@H]1CN(C(=O)c2cc(-c3cccc(Br)c3)no2)CC[N@@H+](Cc2ccccc2)C1 ZINC001460116474 1067558734 /nfs/dbraw/zinc/55/87/34/1067558734.db2.gz CGUFRWDMJQDWAD-QGZVFWFLSA-N 1 1 454.368 4.698 20 0 JJADMO Ic1cccc(C[C@H]2CC[N@@H+](Cc3nccn3Cc3ccccc3)C2)c1 ZINC001460135753 1067562145 /nfs/dbraw/zinc/56/21/45/1067562145.db2.gz NVLNJHLKIQWQMU-HXUWFJFHSA-N 1 1 457.359 4.601 20 0 JJADMO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC001460139421 1067563168 /nfs/dbraw/zinc/56/31/68/1067563168.db2.gz HXNDYSQUTQKAJR-HNNXBMFYSA-N 1 1 452.546 4.969 20 0 JJADMO CC(C)(CO)[C@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)c1cccnc1 ZINC001460158014 1067566749 /nfs/dbraw/zinc/56/67/49/1067566749.db2.gz BDQXVVXJEUOMKF-HXUWFJFHSA-N 1 1 454.983 4.962 20 0 JJADMO Cc1ccccc1C[N@H+](Cc1ccccn1)C[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001460158465 1067567232 /nfs/dbraw/zinc/56/72/32/1067567232.db2.gz PNCLIJVCEDLHJM-IGKIAQTJSA-N 1 1 451.611 4.808 20 0 JJADMO Cc1cc2ncn(C[C@@H](O)C[N@H+]3CCCC[C@H]3Cc3ccccc3Br)c2cc1C ZINC001460158114 1067567273 /nfs/dbraw/zinc/56/72/73/1067567273.db2.gz AWAFFBRWNIRJCZ-SFTDATJTSA-N 1 1 456.428 4.874 20 0 JJADMO C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@@H+](C)CCc1cccc(Br)c1 ZINC001460168432 1067568667 /nfs/dbraw/zinc/56/86/67/1067568667.db2.gz DIKGXIPNIUDPCA-MRXNPFEDSA-N 1 1 453.808 4.503 20 0 JJADMO C[N@@H+](CCc1cccc(Br)c1)[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC001460168729 1067568809 /nfs/dbraw/zinc/56/88/09/1067568809.db2.gz FJKRVEGTTYWCOK-GOSISDBHSA-N 1 1 452.190 4.639 20 0 JJADMO CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CC[N@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC001460172935 1067570225 /nfs/dbraw/zinc/57/02/25/1067570225.db2.gz UMZAZPMNWSNNBZ-HHHXNRCGSA-N 1 1 456.074 4.905 20 0 JJADMO C[C@H]([NH2+][C@H](CO)c1ccc(Br)cc1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC001460174312 1067570450 /nfs/dbraw/zinc/57/04/50/1067570450.db2.gz WJKWTDBXKWYJCZ-HRAATJIYSA-N 1 1 455.352 4.892 20 0 JJADMO C[C@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC001460174358 1067570648 /nfs/dbraw/zinc/57/06/48/1067570648.db2.gz WJKWTDBXKWYJCZ-KKSFZXQISA-N 1 1 455.352 4.892 20 0 JJADMO C[N@H+](Cc1ccccc1)C[C@H](CN[C@H](CO)c1ccc(Br)cc1)c1ccccc1 ZINC001460184439 1067573672 /nfs/dbraw/zinc/57/36/72/1067573672.db2.gz XVJXWNVQCBCEPW-UKILVPOCSA-N 1 1 453.424 4.988 20 0 JJADMO O=C(NC1CCCCC1)OC[C@H]1CCCC[N@@H+]1CCc1cc(Cl)c2c(c1)OCCCO2 ZINC001460197551 1067576993 /nfs/dbraw/zinc/57/69/93/1067576993.db2.gz NPRMNTQICQNPIQ-HXUWFJFHSA-N 1 1 451.007 4.957 20 0 JJADMO C[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001460199179 1067577544 /nfs/dbraw/zinc/57/75/44/1067577544.db2.gz XKQRQTKDZHPQKH-MSOLQXFVSA-N 1 1 453.327 4.844 20 0 JJADMO C[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001460199179 1067577552 /nfs/dbraw/zinc/57/75/52/1067577552.db2.gz XKQRQTKDZHPQKH-MSOLQXFVSA-N 1 1 453.327 4.844 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCN(c3ccccc3)C2=O)CC[C@H]1c1ccc(F)cc1 ZINC001460207086 1067578910 /nfs/dbraw/zinc/57/89/10/1067578910.db2.gz IATFBQBDVREXMQ-VXNXHJTFSA-N 1 1 467.585 4.704 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1C[N@H+]([C@H]2CCCN(c3ccccc3)C2=O)CC[C@H]1c1ccc(F)cc1 ZINC001460207086 1067578917 /nfs/dbraw/zinc/57/89/17/1067578917.db2.gz IATFBQBDVREXMQ-VXNXHJTFSA-N 1 1 467.585 4.704 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCC[N@H+]2CCC(=O)N2CCCc3ccccc32)C1 ZINC001460215895 1067581306 /nfs/dbraw/zinc/58/13/06/1067581306.db2.gz RRBBFYSWWNKIAT-DHIUTWEWSA-N 1 1 455.643 4.858 20 0 JJADMO CN(C)c1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001460217161 1067581870 /nfs/dbraw/zinc/58/18/70/1067581870.db2.gz XPKPXNFCKAXOGO-OFNKIYASSA-N 1 1 458.647 4.583 20 0 JJADMO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC001460223589 1067583465 /nfs/dbraw/zinc/58/34/65/1067583465.db2.gz CVOPPAIPVQNUHW-MRXNPFEDSA-N 1 1 453.421 4.979 20 0 JJADMO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC001460223589 1067583472 /nfs/dbraw/zinc/58/34/72/1067583472.db2.gz CVOPPAIPVQNUHW-MRXNPFEDSA-N 1 1 453.421 4.979 20 0 JJADMO COC(=O)c1cccc(-c2nc(C[NH+]3CCC([C@H](O)c4cc(F)ccc4F)CC3)cs2)c1 ZINC001460224673 1067583981 /nfs/dbraw/zinc/58/39/81/1067583981.db2.gz OJAOCRSNPIKDDQ-QFIPXVFZSA-N 1 1 458.530 4.821 20 0 JJADMO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1ccccc1C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001460230684 1067584896 /nfs/dbraw/zinc/58/48/96/1067584896.db2.gz XETPESCFGBJHLA-UJNULRONSA-N 1 1 458.668 4.559 20 0 JJADMO CCCCCCc1ccc(-c2csc(NC(=O)[C@@H](C)[N@@H+]3CC[C@@H](C(=O)N(C)C)C3)n2)cc1 ZINC001460237393 1067587859 /nfs/dbraw/zinc/58/78/59/1067587859.db2.gz LPGKDERWDZGESI-WIYYLYMNSA-N 1 1 456.656 4.670 20 0 JJADMO CCCCCCc1ccc(-c2csc(NC(=O)[C@@H](C)[N@H+]3CC[C@@H](C(=O)N(C)C)C3)n2)cc1 ZINC001460237393 1067587864 /nfs/dbraw/zinc/58/78/64/1067587864.db2.gz LPGKDERWDZGESI-WIYYLYMNSA-N 1 1 456.656 4.670 20 0 JJADMO COc1ccc([C@H](O)C[N@@H+](CC(=O)N(C)[C@@H]2CCCC[C@H]2C)[C@@H](C)Cc2ccccc2)cc1 ZINC001460238569 1067588245 /nfs/dbraw/zinc/58/82/45/1067588245.db2.gz IVQJASRLGWDRJY-JRAXSAEOSA-N 1 1 452.639 4.699 20 0 JJADMO COc1ccc([C@H](O)C[N@@H+](CC(=O)N(C)[C@@H]2CCCC[C@H]2C)[C@H](C)Cc2ccccc2)cc1 ZINC001460238567 1067588256 /nfs/dbraw/zinc/58/82/56/1067588256.db2.gz IVQJASRLGWDRJY-IKAXQFJBSA-N 1 1 452.639 4.699 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)COc2ccc(Br)cc2Cl)CCC1 ZINC001460249622 1067591148 /nfs/dbraw/zinc/59/11/48/1067591148.db2.gz FDMNJVMMDAISJB-UHFFFAOYSA-N 1 1 451.792 4.652 20 0 JJADMO OCC1([C@H]([NH2+]Cc2ncc(-c3ccccc3Br)o2)c2ccccc2)CCOCC1 ZINC001460257070 1067592617 /nfs/dbraw/zinc/59/26/17/1067592617.db2.gz ZBJYRRGSNJVBEI-JOCHJYFZSA-N 1 1 457.368 4.724 20 0 JJADMO COc1cc(OC)c(NC(=O)CC[N@H+]2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)cc1Cl ZINC001460259263 1067592909 /nfs/dbraw/zinc/59/29/09/1067592909.db2.gz PVGYLJUTNCNAMG-INIZCTEOSA-N 1 1 454.995 4.520 20 0 JJADMO C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460269817 1067594303 /nfs/dbraw/zinc/59/43/03/1067594303.db2.gz HBQPFRUQHKDEFF-VYVQKFEUSA-N 1 1 457.659 4.905 20 0 JJADMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[N@H+]1CCSC[C@H]1C1CCC1 ZINC001460273440 1067595301 /nfs/dbraw/zinc/59/53/01/1067595301.db2.gz URSMUTJABWCBJH-CYFREDJKSA-N 1 1 451.636 4.676 20 0 JJADMO COC(=O)[C@@H]1C[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C[C@H]1c1ccc(Br)cc1 ZINC001460278036 1067596222 /nfs/dbraw/zinc/59/62/22/1067596222.db2.gz PQUYIDMAAIWLCV-LEWJYISDSA-N 1 1 474.786 4.677 20 0 JJADMO C[C@H]1CCc2c(sc3nc(CC[N@H+]4CCCC[C@@H]4CCC(=O)OC(C)(C)C)nc(N)c32)C1 ZINC001460278972 1067596557 /nfs/dbraw/zinc/59/65/57/1067596557.db2.gz NPCNRKUDFABIER-DLBZAZTESA-N 1 1 458.672 4.917 20 0 JJADMO COc1cc(OC)c(NC(=O)CC[N@H+]2CCCC[C@@H]2CCC(=O)OC(C)(C)C)cc1Cl ZINC001460280834 1067597472 /nfs/dbraw/zinc/59/74/72/1067597472.db2.gz XTNNFLJRNNRKFB-MRXNPFEDSA-N 1 1 454.995 4.662 20 0 JJADMO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)c(Cl)c1 ZINC001460300039 1067601458 /nfs/dbraw/zinc/60/14/58/1067601458.db2.gz BLRFLLPZJFZXIT-UYAOXDASSA-N 1 1 459.993 4.841 20 0 JJADMO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)c(Cl)c1 ZINC001460300039 1067601463 /nfs/dbraw/zinc/60/14/63/1067601463.db2.gz BLRFLLPZJFZXIT-UYAOXDASSA-N 1 1 459.993 4.841 20 0 JJADMO O=C(C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1)NCc1ccc(F)cc1 ZINC001460300995 1067601935 /nfs/dbraw/zinc/60/19/35/1067601935.db2.gz KCHVBGWTLRCUAE-HSZRJFAPSA-N 1 1 459.565 4.997 20 0 JJADMO CC(C)N(C)c1ccc(NC(=O)CC[N@@H+](C(C)C)[C@@H]2CCN(Cc3ccccc3)C2)cc1F ZINC001460302041 1067602367 /nfs/dbraw/zinc/60/23/67/1067602367.db2.gz WVFILKMRTMSREU-XMMPIXPASA-N 1 1 454.634 4.984 20 0 JJADMO C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)C1=O ZINC001460303258 1067602798 /nfs/dbraw/zinc/60/27/98/1067602798.db2.gz XYMYYGBPCBGMLR-PVERMEFCSA-N 1 1 452.570 4.545 20 0 JJADMO COC(=O)[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C[C@H]1c1ccccc1 ZINC001460315245 1067605829 /nfs/dbraw/zinc/60/58/29/1067605829.db2.gz LTWWAADBAFDGCL-NNMXDRDESA-N 1 1 461.389 4.546 20 0 JJADMO COC(=O)[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C[C@H]1c1ccccc1 ZINC001460315242 1067605834 /nfs/dbraw/zinc/60/58/34/1067605834.db2.gz LTWWAADBAFDGCL-JQVVWYNYSA-N 1 1 461.389 4.546 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ncc(-c3ccccc3F)o2)C1 ZINC001460317710 1067606739 /nfs/dbraw/zinc/60/67/39/1067606739.db2.gz NHJCNDYEJYOWPG-QMMLZNLJSA-N 1 1 459.562 4.908 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ncc(-c3ccccc3F)o2)C1 ZINC001460317710 1067606743 /nfs/dbraw/zinc/60/67/43/1067606743.db2.gz NHJCNDYEJYOWPG-QMMLZNLJSA-N 1 1 459.562 4.908 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2C[C@H](O)c2cccc3ccccc32)C1 ZINC001460318651 1067606754 /nfs/dbraw/zinc/60/67/54/1067606754.db2.gz SHJVHSKHKIABPR-ZBCONREDSA-N 1 1 454.611 4.800 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCSc2ccc(F)cc2F)C1 ZINC001460319346 1067607295 /nfs/dbraw/zinc/60/72/95/1067607295.db2.gz VSUPHYVFYDPHCA-RLLQIKCJSA-N 1 1 456.599 4.984 20 0 JJADMO CO[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1)c1ccc(Cl)cc1 ZINC001460319893 1067607380 /nfs/dbraw/zinc/60/73/80/1067607380.db2.gz ZCKIHPIXFVLNNW-YUMYIRISSA-N 1 1 453.023 4.954 20 0 JJADMO COc1cc(CCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)ccc1Cl ZINC001460321116 1067607639 /nfs/dbraw/zinc/60/76/39/1067607639.db2.gz GNAKZFQQQMMNRD-NHCUHLMSSA-N 1 1 455.023 4.985 20 0 JJADMO CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+]C2(c3ccccc3Br)CCC2)cc1 ZINC001460331727 1067609870 /nfs/dbraw/zinc/60/98/70/1067609870.db2.gz MVDPVRUZZCUKLL-UHFFFAOYSA-N 1 1 458.400 4.539 20 0 JJADMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC001460341857 1067612372 /nfs/dbraw/zinc/61/23/72/1067612372.db2.gz IESJFFBPTFYUSZ-NFBKMPQASA-N 1 1 451.611 4.660 20 0 JJADMO CC[C@H](C)Oc1cc(C(=O)N(Cc2ccncc2)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC001460346067 1067613278 /nfs/dbraw/zinc/61/32/78/1067613278.db2.gz HYJCFXRKXNEHLC-BKMJKUGQSA-N 1 1 458.606 4.961 20 0 JJADMO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@H+]3CCc4ccccc4[C@H](C)C3)cc2)cc1 ZINC001460345829 1067613372 /nfs/dbraw/zinc/61/33/72/1067613372.db2.gz WXMWURLTYVEKRW-HXUWFJFHSA-N 1 1 457.574 4.938 20 0 JJADMO CC[C@@H](C)Oc1cc(C(=O)N(Cc2ccncc2)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC001460346068 1067613408 /nfs/dbraw/zinc/61/34/08/1067613408.db2.gz HYJCFXRKXNEHLC-GJZUVCINSA-N 1 1 458.606 4.961 20 0 JJADMO CNC(=O)Oc1cccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)c1 ZINC001460351544 1067615095 /nfs/dbraw/zinc/61/50/95/1067615095.db2.gz YOPHESVDLOGDCW-BJKOFHAPSA-N 1 1 463.965 4.913 20 0 JJADMO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460357756 1067616957 /nfs/dbraw/zinc/61/69/57/1067616957.db2.gz BGDMKIUMVQJILC-GCOVDLRRSA-N 1 1 455.599 4.579 20 0 JJADMO COc1ccc(C[C@@H]2CCCC[N@H+]2C[C@@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001460358746 1067617354 /nfs/dbraw/zinc/61/73/54/1067617354.db2.gz GVCGXFMURWQRBZ-UPVQGACJSA-N 1 1 458.643 4.898 20 0 JJADMO CC[NH+](CC)[C@H](C(=O)Nc1cc(COC)cc(C(=O)OC)c1)c1cccc(C(F)(F)F)c1 ZINC001460367565 1067620144 /nfs/dbraw/zinc/62/01/44/1067620144.db2.gz SEECFTOSPQDLKS-FQEVSTJZSA-N 1 1 452.473 4.660 20 0 JJADMO CC[C@]1(Cc2ccccc2)CCC[N@H+]1CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC001460413834 1067630782 /nfs/dbraw/zinc/63/07/82/1067630782.db2.gz XUEUCYGIYROPEX-XUZZJYLKSA-N 1 1 459.512 4.780 20 0 JJADMO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001460413017 1067630793 /nfs/dbraw/zinc/63/07/93/1067630793.db2.gz UDOVNMUFFQQLEB-SJLPKXTDSA-N 1 1 451.558 4.651 20 0 JJADMO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001460413018 1067630860 /nfs/dbraw/zinc/63/08/60/1067630860.db2.gz UDOVNMUFFQQLEB-WMZOPIPTSA-N 1 1 451.558 4.651 20 0 JJADMO O=S(=O)(Nc1ccccc1)[C@H]1CCC[N@H+](CCOc2ccc(Oc3ccccc3)cc2)C1 ZINC001460419640 1067631865 /nfs/dbraw/zinc/63/18/65/1067631865.db2.gz XGJLCTHFSWKXBW-VWLOTQADSA-N 1 1 452.576 4.764 20 0 JJADMO O=S(=O)(Nc1ccccc1)[C@H]1CCC[N@@H+](CCOc2ccc(Oc3ccccc3)cc2)C1 ZINC001460419640 1067631871 /nfs/dbraw/zinc/63/18/71/1067631871.db2.gz XGJLCTHFSWKXBW-VWLOTQADSA-N 1 1 452.576 4.764 20 0 JJADMO CC[N@@H+](C/C=C\c1ccc(Cl)cc1)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460441938 1067635594 /nfs/dbraw/zinc/63/55/94/1067635594.db2.gz DHCUEQCGGQQNRX-FQQSSWHASA-N 1 1 450.023 4.533 20 0 JJADMO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C ZINC001460448857 1067636724 /nfs/dbraw/zinc/63/67/24/1067636724.db2.gz FCZHMWQXPVOJQF-VQIMIIECSA-N 1 1 454.011 4.693 20 0 JJADMO CC(C)OCc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cc(F)c(Br)cc2F)cc1 ZINC001460453262 1067636972 /nfs/dbraw/zinc/63/69/72/1067636972.db2.gz WCMGISBWAMNAKR-AWEZNQCLSA-N 1 1 455.343 4.619 20 0 JJADMO C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2Br)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001460454299 1067637580 /nfs/dbraw/zinc/63/75/80/1067637580.db2.gz MBBMYEPWBHTMPZ-NSISKUIASA-N 1 1 455.437 4.888 20 0 JJADMO Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 ZINC001460484509 1067643604 /nfs/dbraw/zinc/64/36/04/1067643604.db2.gz GCXLUSOZFJZLMB-NHCUHLMSSA-N 1 1 453.631 4.716 20 0 JJADMO CC(C)c1sc(NC(=O)C[NH2+][C@H](c2ccncc2)C2(CO)CCC2)nc1-c1ccccc1 ZINC001460510427 1067646538 /nfs/dbraw/zinc/64/65/38/1067646538.db2.gz ABQOOOWGWRLWBF-HSZRJFAPSA-N 1 1 450.608 4.761 20 0 JJADMO CC(C)c1sc(NC(=O)C[NH2+][C@@H](c2ccncc2)C2(CO)CCC2)nc1-c1ccccc1 ZINC001460510444 1067646688 /nfs/dbraw/zinc/64/66/88/1067646688.db2.gz ABQOOOWGWRLWBF-QHCPKHFHSA-N 1 1 450.608 4.761 20 0 JJADMO CC(C)(C)OC(=O)N1C[C@]2(C)C[N@H+](CC(=O)Nc3ccc(SC(F)F)cc3)C[C@]2(C)C1 ZINC001460553505 1067655163 /nfs/dbraw/zinc/65/51/63/1067655163.db2.gz GIZVKIVFKZXCGQ-SZPZYZBQSA-N 1 1 455.571 4.519 20 0 JJADMO CC(C)(C)OC(=O)N1C[C@]2(C)C[N@@H+](CC(=O)Nc3ccc(SC(F)F)cc3)C[C@]2(C)C1 ZINC001460553505 1067655168 /nfs/dbraw/zinc/65/51/68/1067655168.db2.gz GIZVKIVFKZXCGQ-SZPZYZBQSA-N 1 1 455.571 4.519 20 0 JJADMO COC(=O)/C=C\c1ccc(OCC[N@H+]2CCC[C@@H]2C(O)(c2ccccc2)c2ccccc2)cc1 ZINC001460572193 1067658192 /nfs/dbraw/zinc/65/81/92/1067658192.db2.gz XCBACTMKOQUSHY-IXIXJIPRSA-N 1 1 457.570 4.652 20 0 JJADMO Clc1ccc(Br)cc1C[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC001460579419 1067660226 /nfs/dbraw/zinc/66/02/26/1067660226.db2.gz OTFASWODGFFVON-UHFFFAOYSA-N 1 1 454.796 4.834 20 0 JJADMO CC1(C)[C@H]2[C@H](CCC[N@H+]2C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)[C@@H]1O ZINC001460620852 1067675286 /nfs/dbraw/zinc/67/52/86/1067675286.db2.gz WBCUOVJJUIWWJW-JSRBNTPPSA-N 1 1 464.433 4.942 20 0 JJADMO CCOC(=O)c1c(CN2C[C@]3(C)C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)occ1C(F)(F)F ZINC001460634021 1067680229 /nfs/dbraw/zinc/68/02/29/1067680229.db2.gz BJUMNUSOEBJTAM-ZRZAMGCNSA-N 1 1 450.501 4.819 20 0 JJADMO Cc1nc(-c2ccc(C)cc2NC(=O)C[N@@H+]2CCC[C@@]2(C)Cc2ccc(F)c(Cl)c2)n[nH]1 ZINC001460636549 1067680558 /nfs/dbraw/zinc/68/05/58/1067680558.db2.gz JTZNXRDSRJWLOC-DEOSSOPVSA-N 1 1 455.965 4.917 20 0 JJADMO Cc1nc(-c2ccc(C)cc2NC(=O)C[N@H+]2CCC[C@@]2(C)Cc2ccc(F)c(Cl)c2)n[nH]1 ZINC001460636549 1067680569 /nfs/dbraw/zinc/68/05/69/1067680569.db2.gz JTZNXRDSRJWLOC-DEOSSOPVSA-N 1 1 455.965 4.917 20 0 JJADMO CC1(C)[C@@H](c2ccccc2F)CC[N@@H+]1CC(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC001460645515 1067684727 /nfs/dbraw/zinc/68/47/27/1067684727.db2.gz UPWFJOQCWLCPQO-HSZRJFAPSA-N 1 1 459.565 4.962 20 0 JJADMO CC1(C)[C@@H](c2ccccc2F)CC[N@H+]1CC(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC001460645515 1067684734 /nfs/dbraw/zinc/68/47/34/1067684734.db2.gz UPWFJOQCWLCPQO-HSZRJFAPSA-N 1 1 459.565 4.962 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](CCOc3ccc(Cl)c(F)c3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001460648336 1067685762 /nfs/dbraw/zinc/68/57/62/1067685762.db2.gz ADWBSYUCNJWNSE-SIKLNZKXSA-N 1 1 464.965 4.859 20 0 JJADMO Cc1ccc(S(=O)(=O)N[C@@H](CC[N@H+]2CCC[C@H](OC3CCC3)CC2)c2ccccc2)cc1 ZINC001460654455 1067688940 /nfs/dbraw/zinc/68/89/40/1067688940.db2.gz VXOSNNRQKNUDDV-AHWVRZQESA-N 1 1 456.652 4.828 20 0 JJADMO C[C@@]1(Cc2ccc(F)c(F)c2)CCC[N@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC001460655999 1067690383 /nfs/dbraw/zinc/69/03/83/1067690383.db2.gz VHVCGPNNHGWXFW-UWJYYQICSA-N 1 1 458.318 4.703 20 0 JJADMO CN(C)S(=O)(=O)c1cccc(C[N@H+]2CCC[C@@H]2Cc2cccc(Oc3ccccc3)c2)c1 ZINC001460659863 1067691281 /nfs/dbraw/zinc/69/12/81/1067691281.db2.gz MAAVGPPHCXRWND-HSZRJFAPSA-N 1 1 450.604 4.936 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H](CC[N@H+]2CCC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)C1 ZINC001460663908 1067692543 /nfs/dbraw/zinc/69/25/43/1067692543.db2.gz GQYSEZGLZQAOII-HKBOAZHASA-N 1 1 451.652 4.745 20 0 JJADMO CO[C@H](C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)s1 ZINC001460682603 1067700321 /nfs/dbraw/zinc/70/03/21/1067700321.db2.gz YMPVSUFVGKHTPM-XLIONFOSSA-N 1 1 451.430 4.617 20 0 JJADMO O=C(C[N@H+]1CCCC[C@@H](C2CCOCC2)C1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC001460692894 1067703223 /nfs/dbraw/zinc/70/32/23/1067703223.db2.gz PJRWLSXXYXXPGY-HXUWFJFHSA-N 1 1 453.558 4.545 20 0 JJADMO OC[C@@H]([NH2+]Cc1cccc(Br)c1OC(F)F)c1ccc(Br)cc1 ZINC001460700206 1067704120 /nfs/dbraw/zinc/70/41/20/1067704120.db2.gz BCYJYSAZXIMDRS-CQSZACIVSA-N 1 1 451.105 4.636 20 0 JJADMO COC(=O)c1scc(C)c1NC(=O)[C@H](C)[N@H+](Cc1ccc(-c2ccccn2)nc1)C(C)C ZINC001460713948 1067707356 /nfs/dbraw/zinc/70/73/56/1067707356.db2.gz UZOLQTBIRXDMIG-KRWDZBQOSA-N 1 1 452.580 4.538 20 0 JJADMO COC(=O)c1scc(C)c1NC(=O)[C@H](C)[N@@H+](Cc1ccc(-c2ccccn2)nc1)C(C)C ZINC001460713948 1067707363 /nfs/dbraw/zinc/70/73/63/1067707363.db2.gz UZOLQTBIRXDMIG-KRWDZBQOSA-N 1 1 452.580 4.538 20 0 JJADMO C[C@@H]1CCc2c(sc3nc(CC[N@H+](C)Cc4cscc4Br)nc(N)c23)C1 ZINC001460715692 1067707602 /nfs/dbraw/zinc/70/76/02/1067707602.db2.gz IKHFOWLGZJETQP-LLVKDONJSA-N 1 1 451.459 4.897 20 0 JJADMO C[C@@H]1CCc2c(sc3nc(CC[N@@H+](C)Cc4cscc4Br)nc(N)c23)C1 ZINC001460715692 1067707608 /nfs/dbraw/zinc/70/76/08/1067707608.db2.gz IKHFOWLGZJETQP-LLVKDONJSA-N 1 1 451.459 4.897 20 0 JJADMO COC(=O)CC[C@@H]1CCC[N@H+](CC(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)C1 ZINC001460716406 1067707795 /nfs/dbraw/zinc/70/77/95/1067707795.db2.gz GXRDYWRDXAARSB-ZDUSSCGKSA-N 1 1 456.395 4.721 20 0 JJADMO COC(=O)CC[C@@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)C1 ZINC001460716406 1067707800 /nfs/dbraw/zinc/70/78/00/1067707800.db2.gz GXRDYWRDXAARSB-ZDUSSCGKSA-N 1 1 456.395 4.721 20 0 JJADMO COc1cc2c(cc1OC)[C@@H](C)[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)CC2 ZINC001460723752 1067709931 /nfs/dbraw/zinc/70/99/31/1067709931.db2.gz GYUWXWGXNBVOGJ-CYBMUJFWSA-N 1 1 451.336 4.553 20 0 JJADMO CCOC(=O)c1ccc2c(c1)nc(CN1CC[NH+]([C@H](CC)c3ccc(F)cc3)CC1)n2CC ZINC001460731429 1067711761 /nfs/dbraw/zinc/71/17/61/1067711761.db2.gz NVOSPPCQTASDNA-HSZRJFAPSA-N 1 1 452.574 4.641 20 0 JJADMO C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001460740201 1067713080 /nfs/dbraw/zinc/71/30/80/1067713080.db2.gz YYDRJVGYAOLNJH-IERDGZPVSA-N 1 1 453.539 4.620 20 0 JJADMO C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001460740201 1067713089 /nfs/dbraw/zinc/71/30/89/1067713089.db2.gz YYDRJVGYAOLNJH-IERDGZPVSA-N 1 1 453.539 4.620 20 0 JJADMO COc1ccc2nc(C[N@@H+]3CCC[C@@H](C[C@H](NC(=O)OC(C)(C)C)C4CCCC4)C3)[nH]c2n1 ZINC001460750786 1067715694 /nfs/dbraw/zinc/71/56/94/1067715694.db2.gz VASYKSNRVXQPKO-PXNSSMCTSA-N 1 1 457.619 4.652 20 0 JJADMO COc1ccc2nc(C[N@H+]3CCC[C@@H](C[C@H](NC(=O)OC(C)(C)C)C4CCCC4)C3)[nH]c2n1 ZINC001460750786 1067715708 /nfs/dbraw/zinc/71/57/08/1067715708.db2.gz VASYKSNRVXQPKO-PXNSSMCTSA-N 1 1 457.619 4.652 20 0 JJADMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)C[C@H]1C1CC1 ZINC001460751732 1067716212 /nfs/dbraw/zinc/71/62/12/1067716212.db2.gz USQPJCLBWYCHAT-GCKMJXCFSA-N 1 1 458.824 4.610 20 0 JJADMO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460778771 1067721721 /nfs/dbraw/zinc/72/17/21/1067721721.db2.gz PIFJLGYSXBIXRR-XDHUDOTRSA-N 1 1 458.628 4.736 20 0 JJADMO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460778771 1067721725 /nfs/dbraw/zinc/72/17/25/1067721725.db2.gz PIFJLGYSXBIXRR-XDHUDOTRSA-N 1 1 458.628 4.736 20 0 JJADMO CN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC001460794108 1067724553 /nfs/dbraw/zinc/72/45/53/1067724553.db2.gz OOGRILZZHKNAOM-WQTXXOFMSA-N 1 1 456.936 4.801 20 0 JJADMO CN(C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC001460794108 1067724560 /nfs/dbraw/zinc/72/45/60/1067724560.db2.gz OOGRILZZHKNAOM-WQTXXOFMSA-N 1 1 456.936 4.801 20 0 JJADMO Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C3)cc2)n1 ZINC001460798593 1067726142 /nfs/dbraw/zinc/72/61/42/1067726142.db2.gz YNKBLNWQYIGYBS-VQTJNVASSA-N 1 1 452.521 4.767 20 0 JJADMO Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C3)cc2)n1 ZINC001460798593 1067726150 /nfs/dbraw/zinc/72/61/50/1067726150.db2.gz YNKBLNWQYIGYBS-VQTJNVASSA-N 1 1 452.521 4.767 20 0 JJADMO CCOc1ccc(NC(=O)CC[N@@H+]2Cc3cc(Br)ccc3OC3(CCC3)C2)cc1 ZINC001460799271 1067726224 /nfs/dbraw/zinc/72/62/24/1067726224.db2.gz DFZYXKFDQQYFPI-UHFFFAOYSA-N 1 1 459.384 4.994 20 0 JJADMO CCOc1ccc(NC(=O)CC[N@H+]2Cc3cc(Br)ccc3OC3(CCC3)C2)cc1 ZINC001460799271 1067726229 /nfs/dbraw/zinc/72/62/29/1067726229.db2.gz DFZYXKFDQQYFPI-UHFFFAOYSA-N 1 1 459.384 4.994 20 0 JJADMO CC(C)(C)OC(=O)N1CCCC[C@@]12CC[N@@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C2 ZINC001460822398 1067729298 /nfs/dbraw/zinc/72/92/98/1067729298.db2.gz SXJWJNICGIKGSQ-GCJKJVERSA-N 1 1 459.414 4.599 20 0 JJADMO CN(C(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)C(C)(C)C[NH+]1CCOCC1 ZINC001460830973 1067731157 /nfs/dbraw/zinc/73/11/57/1067731157.db2.gz WSLDODCJXAJDDF-UHFFFAOYSA-N 1 1 455.649 4.650 20 0 JJADMO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)[N@@H+](Cc1ccccn1)CC(C)C)C[C@@H](C)CC2 ZINC001460833611 1067731423 /nfs/dbraw/zinc/73/14/23/1067731423.db2.gz RMLAHPDEBZUBEK-ZWKOTPCHSA-N 1 1 457.640 4.930 20 0 JJADMO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)[N@H+](Cc1ccccn1)CC(C)C)C[C@@H](C)CC2 ZINC001460833611 1067731428 /nfs/dbraw/zinc/73/14/28/1067731428.db2.gz RMLAHPDEBZUBEK-ZWKOTPCHSA-N 1 1 457.640 4.930 20 0 JJADMO CCOc1ccc(C[N@@H+]2Cc3ccccc3OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)nc1 ZINC001460845298 1067733420 /nfs/dbraw/zinc/73/34/20/1067733420.db2.gz TZFIRQAFYWJHBZ-UHFFFAOYSA-N 1 1 453.583 4.645 20 0 JJADMO CCOc1ccc(C[N@H+]2Cc3ccccc3OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)nc1 ZINC001460845298 1067733425 /nfs/dbraw/zinc/73/34/25/1067733425.db2.gz TZFIRQAFYWJHBZ-UHFFFAOYSA-N 1 1 453.583 4.645 20 0 JJADMO CCC1(CC)CN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CCS1 ZINC001546119526 1067733910 /nfs/dbraw/zinc/73/39/10/1067733910.db2.gz GGXGSWGTRBWCHW-FQEVSTJZSA-N 1 1 487.762 4.762 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCC[N@@H+]2Cc1nc2cc(Br)ccc2o1 ZINC001460847416 1067734252 /nfs/dbraw/zinc/73/42/52/1067734252.db2.gz AQKGRPUUFBVTEU-QKKBWIMNSA-N 1 1 450.377 4.860 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCC[N@H+]2Cc1nc2cc(Br)ccc2o1 ZINC001460847416 1067734257 /nfs/dbraw/zinc/73/42/57/1067734257.db2.gz AQKGRPUUFBVTEU-QKKBWIMNSA-N 1 1 450.377 4.860 20 0 JJADMO CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCC[N@@H+]2Cc1nc2cc(Br)ccc2o1 ZINC001460847408 1067734402 /nfs/dbraw/zinc/73/44/02/1067734402.db2.gz AQKGRPUUFBVTEU-LHSJRXKWSA-N 1 1 450.377 4.860 20 0 JJADMO CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCC[N@H+]2Cc1nc2cc(Br)ccc2o1 ZINC001460847408 1067734408 /nfs/dbraw/zinc/73/44/08/1067734408.db2.gz AQKGRPUUFBVTEU-LHSJRXKWSA-N 1 1 450.377 4.860 20 0 JJADMO O=C(Cc1cccc(C(F)(F)F)c1)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC001460874400 1067739915 /nfs/dbraw/zinc/73/99/15/1067739915.db2.gz XHWOUOAUHABYLE-UHFFFAOYSA-N 1 1 455.318 4.791 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460880630 1067741434 /nfs/dbraw/zinc/74/14/34/1067741434.db2.gz HYHBZYIFECNTHM-GDBMZVCRSA-N 1 1 450.377 4.697 20 0 JJADMO C[C@@H]1C[N@@H+](CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460879795 1067741462 /nfs/dbraw/zinc/74/14/62/1067741462.db2.gz BWWDJHVXLDCOIP-JLGINSKQSA-N 1 1 472.029 4.638 20 0 JJADMO CC(C)(C)OC(=O)NCC[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC001460884255 1067742335 /nfs/dbraw/zinc/74/23/35/1067742335.db2.gz YDRXPJYCARGRGC-HNNXBMFYSA-N 1 1 450.377 4.841 20 0 JJADMO C[C@@H](NC(=O)[C@H](C)[N@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1)c1ccc2ccccc2c1 ZINC001460889567 1067744042 /nfs/dbraw/zinc/74/40/42/1067744042.db2.gz SZTUEISYUOOTHT-LZFFWASXSA-N 1 1 451.611 4.594 20 0 JJADMO C[C@@H]1CN(C(=O)c2c(Br)cccc2Br)CC[N@@H+]1Cc1ccccc1 ZINC001460892363 1067744767 /nfs/dbraw/zinc/74/47/67/1067744767.db2.gz WEMXVPZISXDLBA-CQSZACIVSA-N 1 1 452.190 4.558 20 0 JJADMO C[C@@H]1CN(C(=O)c2c(Br)cccc2Br)CC[N@H+]1Cc1ccccc1 ZINC001460892363 1067744771 /nfs/dbraw/zinc/74/47/71/1067744771.db2.gz WEMXVPZISXDLBA-CQSZACIVSA-N 1 1 452.190 4.558 20 0 JJADMO CCCCOc1ccc(-c2nnc(C[N@@H+]3CC[C@@H]4CC[C@@]43CNC(=O)OC(C)(C)C)o2)cc1 ZINC001460910347 1067746673 /nfs/dbraw/zinc/74/66/73/1067746673.db2.gz USFSITVBCXNFBM-UQBPGWFLSA-N 1 1 456.587 4.795 20 0 JJADMO CCCCOc1ccc(-c2nnc(C[N@H+]3CC[C@@H]4CC[C@@]43CNC(=O)OC(C)(C)C)o2)cc1 ZINC001460910347 1067746675 /nfs/dbraw/zinc/74/66/75/1067746675.db2.gz USFSITVBCXNFBM-UQBPGWFLSA-N 1 1 456.587 4.795 20 0 JJADMO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH+]2CCC(C(=O)c3ccccc3Cl)CC2)cc1 ZINC001460921777 1067748458 /nfs/dbraw/zinc/74/84/58/1067748458.db2.gz UJMTURCLRNEDLO-DEOSSOPVSA-N 1 1 454.998 4.997 20 0 JJADMO O=C(C[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC001460920733 1067748473 /nfs/dbraw/zinc/74/84/73/1067748473.db2.gz DPNORINQFDCSNS-MOPGFXCFSA-N 1 1 455.986 4.669 20 0 JJADMO C[C@@H](NC(=O)C[N@@H+]1C2CCC1(CNC(=O)OC(C)(C)C)CC2)c1ccc(Cl)cc1Cl ZINC001460931758 1067750394 /nfs/dbraw/zinc/75/03/94/1067750394.db2.gz AKSJWSDBDGQAHQ-SEQKXJMWSA-N 1 1 456.414 4.692 20 0 JJADMO C[C@@H](NC(=O)C[N@H+]1C2CCC1(CNC(=O)OC(C)(C)C)CC2)c1ccc(Cl)cc1Cl ZINC001460931758 1067750401 /nfs/dbraw/zinc/75/04/01/1067750401.db2.gz AKSJWSDBDGQAHQ-SEQKXJMWSA-N 1 1 456.414 4.692 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@]12C[N@@H+](CCOc3ccccc3Br)C[C@H]1CCCC2 ZINC001460969518 1067754819 /nfs/dbraw/zinc/75/48/19/1067754819.db2.gz CYWXAMMFCIAHPN-VGSWGCGISA-N 1 1 453.421 4.845 20 0 JJADMO CCN(C(=O)OC(C)(C)C)C1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC001460988152 1067757993 /nfs/dbraw/zinc/75/79/93/1067757993.db2.gz USXZBJOKMBNUQI-VQTJNVASSA-N 1 1 457.659 4.853 20 0 JJADMO COc1ccc([C@@H](CNCc2cc(OC(F)F)ccc2Br)[NH+]2CCCC2)cc1 ZINC001460990120 1067758309 /nfs/dbraw/zinc/75/83/09/1067758309.db2.gz VKNXIAFSICCQOA-HXUWFJFHSA-N 1 1 455.343 4.986 20 0 JJADMO Brc1cccc(-c2nc(C[NH2+]C[C@@H]3CN(Cc4ccccc4)CCO3)cs2)c1 ZINC001461010563 1067761934 /nfs/dbraw/zinc/76/19/34/1067761934.db2.gz YWICUHDAYJOEPL-OAQYLSRUSA-N 1 1 458.425 4.563 20 0 JJADMO CCc1ccc(-c2nn(-c3ccccc3C)cc2C[NH2+]C[C@H](C(C)C)N2CCN(C)CC2)cc1 ZINC001461030620 1067765628 /nfs/dbraw/zinc/76/56/28/1067765628.db2.gz NITFZVUDXJAMSP-MUUNZHRXSA-N 1 1 459.682 4.772 20 0 JJADMO CCc1ccc(-c2nn(-c3ccccc3C)cc2C[NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)cc1 ZINC001461030647 1067765650 /nfs/dbraw/zinc/76/56/50/1067765650.db2.gz NITFZVUDXJAMSP-NDEPHWFRSA-N 1 1 459.682 4.772 20 0 JJADMO CCC1(CC)CN(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCC[C@H]2C)CCS1 ZINC001546120952 1067765826 /nfs/dbraw/zinc/76/58/26/1067765826.db2.gz FQJFZMLFFVZIKQ-LJQANCHMSA-N 1 1 461.651 4.593 20 0 JJADMO Fc1cc(Br)c(I)cc1C[NH2+][C@H]1CCCc2occc21 ZINC001461037438 1067767278 /nfs/dbraw/zinc/76/72/78/1067767278.db2.gz SKNGHVFQTIXMDM-AWEZNQCLSA-N 1 1 450.089 4.953 20 0 JJADMO FC(F)(F)c1nc(C[NH2+]C2(c3cccc(Br)c3)CCOCC2)c2n1CCCC2 ZINC001461120479 1067785362 /nfs/dbraw/zinc/78/53/62/1067785362.db2.gz QRSCSMWUCMJOFT-UHFFFAOYSA-N 1 1 458.322 4.796 20 0 JJADMO Cc1ccc([C@@H]([NH2+]Cc2cncc(Br)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001461220005 1067802134 /nfs/dbraw/zinc/80/21/34/1067802134.db2.gz WSWVSUBQYKMNCW-QFIPXVFZSA-N 1 1 459.409 4.744 20 0 JJADMO COc1ccc([C@@H]([NH2+]Cc2cc(C)nc3c2CCCC3)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461252301 1067810341 /nfs/dbraw/zinc/81/03/41/1067810341.db2.gz CDKZIMZAXQDSND-AREMUKBSSA-N 1 1 450.604 4.560 20 0 JJADMO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2cc3ccc(F)cc3[nH]c2=O)c2ccc(F)cc2)c1 ZINC001461254516 1067811072 /nfs/dbraw/zinc/81/10/72/1067811072.db2.gz HIGOYHSQHBFHDP-QHCPKHFHSA-N 1 1 454.498 4.501 20 0 JJADMO C[C@H]1C[C@@H](NCc2c(F)ccc(I)c2F)CC[N@H+]1Cc1ccccc1 ZINC001461262412 1067813478 /nfs/dbraw/zinc/81/34/78/1067813478.db2.gz GZUUZYHNIHAHJJ-HOCLYGCPSA-N 1 1 456.318 4.712 20 0 JJADMO CSc1nc(-c2ccco2)nc(C)c1C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC001461298912 1067821945 /nfs/dbraw/zinc/82/19/45/1067821945.db2.gz GPOZPWLIIMTOLS-YTQUADARSA-N 1 1 450.608 4.890 20 0 JJADMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C1=Cc2cc(Br)ccc2OC1 ZINC001461302739 1067823004 /nfs/dbraw/zinc/82/30/04/1067823004.db2.gz YLDXAAKZXXNCCC-RCCFBDPRSA-N 1 1 455.396 4.735 20 0 JJADMO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC001461306990 1067824610 /nfs/dbraw/zinc/82/46/10/1067824610.db2.gz HJSNQINRAHZXMH-CAMMJAKZSA-N 1 1 450.549 4.676 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC001461325391 1067828637 /nfs/dbraw/zinc/82/86/37/1067828637.db2.gz KSAQFGYNFCKMBM-FLFAWLEMSA-N 1 1 464.650 4.951 20 0 JJADMO CN1CC[NH+](CCCOc2ccc(NC(=O)c3ccccc3CCc3ccccc3)cc2)CC1 ZINC001461336979 1067831905 /nfs/dbraw/zinc/83/19/05/1067831905.db2.gz SNCXIUXBGRNRKD-UHFFFAOYSA-N 1 1 457.618 4.740 20 0 JJADMO O=C(CCCc1cc(Cl)sc1Cl)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001461337077 1067832164 /nfs/dbraw/zinc/83/21/64/1067832164.db2.gz YURMGNBNAFXUSZ-MOPGFXCFSA-N 1 1 453.435 4.880 20 0 JJADMO CN1CC[NH+](CCCOc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC001461344470 1067834742 /nfs/dbraw/zinc/83/47/42/1067834742.db2.gz JTUCAXRQUCCLPZ-LEWJYISDSA-N 1 1 462.421 4.752 20 0 JJADMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cc(I)c(C)cc1C ZINC001461355720 1067837249 /nfs/dbraw/zinc/83/72/49/1067837249.db2.gz GDMNUDVALATWEQ-NQIIRXRSSA-N 1 1 460.359 4.665 20 0 JJADMO CC(C)[C@@H]([NH2+]Cc1ccc(-c2cccc(Br)c2)s1)c1nc(-c2nc[nH]n2)no1 ZINC001461367917 1067839892 /nfs/dbraw/zinc/83/98/92/1067839892.db2.gz AMNQBSLWZPBVBV-MRXNPFEDSA-N 1 1 459.373 4.833 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001461379031 1067842339 /nfs/dbraw/zinc/84/23/39/1067842339.db2.gz JUYSUHGLJHIJLJ-ZTVFFDQVSA-N 1 1 483.697 4.934 20 0 JJADMO Ic1ccc(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC001461382486 1067843278 /nfs/dbraw/zinc/84/32/78/1067843278.db2.gz NKEMKAZPBPNCDM-QXAKKESOSA-N 1 1 452.405 4.743 20 0 JJADMO Ic1ccc(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC001461382486 1067843297 /nfs/dbraw/zinc/84/32/97/1067843297.db2.gz NKEMKAZPBPNCDM-QXAKKESOSA-N 1 1 452.405 4.743 20 0 JJADMO Ic1ccc(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC001461382488 1067843373 /nfs/dbraw/zinc/84/33/73/1067843373.db2.gz NKEMKAZPBPNCDM-YTQUADARSA-N 1 1 452.405 4.743 20 0 JJADMO Ic1ccc(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC001461382488 1067843376 /nfs/dbraw/zinc/84/33/76/1067843376.db2.gz NKEMKAZPBPNCDM-YTQUADARSA-N 1 1 452.405 4.743 20 0 JJADMO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC001461409882 1067848702 /nfs/dbraw/zinc/84/87/02/1067848702.db2.gz PTJYURYBVTVXBD-LJQANCHMSA-N 1 1 454.290 4.785 20 0 JJADMO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC001461411008 1067849330 /nfs/dbraw/zinc/84/93/30/1067849330.db2.gz WKHHZAXEADVFHB-IBGZPJMESA-N 1 1 454.290 4.785 20 0 JJADMO Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1CNCCC[N@H+]1CCCO[C@@H](C)C1 ZINC001461427609 1067853582 /nfs/dbraw/zinc/85/35/82/1067853582.db2.gz FPNTYKYWTAXDJO-HNNXBMFYSA-N 1 1 459.849 4.791 20 0 JJADMO Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC001461459354 1067861960 /nfs/dbraw/zinc/86/19/60/1067861960.db2.gz BFHHGNMQELIEDP-IBGZPJMESA-N 1 1 454.290 4.785 20 0 JJADMO Cc1cccc(NC(=O)CSCC(=O)Nc2nc3ccc(C[N@H+](C)C4CC4)cc3s2)c1 ZINC001461473434 1067866813 /nfs/dbraw/zinc/86/68/13/1067866813.db2.gz HCMUDHOIVTWHLS-UHFFFAOYSA-N 1 1 454.621 4.509 20 0 JJADMO CCOc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C(C)C)C2)cc(OCC)c1OCC ZINC001461595355 1067896857 /nfs/dbraw/zinc/89/68/57/1067896857.db2.gz GAWNDYVOCJRPLM-HSZRJFAPSA-N 1 1 454.611 4.865 20 0 JJADMO COc1ccc(CCC(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C(C)C)C2)c(Br)c1 ZINC001461595197 1067897108 /nfs/dbraw/zinc/89/71/08/1067897108.db2.gz FQILAQXJXJSAFV-HSZRJFAPSA-N 1 1 459.428 4.759 20 0 JJADMO CC(C)[C@@H]1CN(C(=O)c2cc3c(Br)cccc3cn2)CC[N@H+]1Cc1ccccc1 ZINC001461597466 1067897936 /nfs/dbraw/zinc/89/79/36/1067897936.db2.gz KCIMVTQZSAGTKG-QHCPKHFHSA-N 1 1 452.396 4.980 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ncc(Cc4c(F)cccc4F)s3)cc2)C[C@H](C)O1 ZINC001461610581 1067901185 /nfs/dbraw/zinc/90/11/85/1067901185.db2.gz VUJWRZIKUITTMX-IYBDPMFKSA-N 1 1 457.546 4.874 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ncc(Cc4c(F)cccc4F)s3)cc2)C[C@H](C)O1 ZINC001461610581 1067901191 /nfs/dbraw/zinc/90/11/91/1067901191.db2.gz VUJWRZIKUITTMX-IYBDPMFKSA-N 1 1 457.546 4.874 20 0 JJADMO CC[C@H]([NH2+]Cc1cc(Br)sc1Br)C(=O)NCc1cccs1 ZINC001461611054 1067901593 /nfs/dbraw/zinc/90/15/93/1067901593.db2.gz YPSLAXSFDPLRLR-NSHDSACASA-N 1 1 452.237 4.519 20 0 JJADMO CC(C)(C)OC(=O)N1C[C@@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)Cc2ccccc21 ZINC001461617478 1067902461 /nfs/dbraw/zinc/90/24/61/1067902461.db2.gz PITWAFDIMOZZGD-DEOSSOPVSA-N 1 1 453.602 4.789 20 0 JJADMO COc1ccc(N2C[C@H]([NH2+]Cc3c(Cl)n(-c4ccccc4)nc3C(C)(C)C)CC2=O)cc1 ZINC001461618994 1067902990 /nfs/dbraw/zinc/90/29/90/1067902990.db2.gz PPLOYSCQZRSUFW-QGZVFWFLSA-N 1 1 452.986 4.727 20 0 JJADMO C[NH+]1CCN(CCCOc2ccc(NCc3cnc(-c4c(F)cccc4F)s3)cc2)CC1 ZINC001461628961 1067905252 /nfs/dbraw/zinc/90/52/52/1067905252.db2.gz ZQRGFHNHDOLGHC-UHFFFAOYSA-N 1 1 458.578 4.717 20 0 JJADMO Cn1ccnc1C[C@H]([NH2+]Cc1cc(Cl)ccc1I)c1ccccc1 ZINC001461656314 1067911267 /nfs/dbraw/zinc/91/12/67/1067911267.db2.gz LSAZFXULMKTIMZ-SFHVURJKSA-N 1 1 451.739 4.752 20 0 JJADMO COc1cc(Br)c(CNC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1OC ZINC001461664632 1067913496 /nfs/dbraw/zinc/91/34/96/1067913496.db2.gz UGFXKMIMAUMFDW-FQEVSTJZSA-N 1 1 459.428 4.858 20 0 JJADMO CCCOc1ccc(-c2nc(C(=O)NC[C@@H]3CC[N@@H+]3Cc3ccc(OC)cc3)cs2)cc1 ZINC001461676577 1067916349 /nfs/dbraw/zinc/91/63/49/1067916349.db2.gz GGILWSLTORYIPA-FQEVSTJZSA-N 1 1 451.592 4.612 20 0 JJADMO CCCOc1ccc(-c2nc(C(=O)NC[C@@H]3CC[N@H+]3Cc3ccc(OC)cc3)cs2)cc1 ZINC001461676577 1067916353 /nfs/dbraw/zinc/91/63/53/1067916353.db2.gz GGILWSLTORYIPA-FQEVSTJZSA-N 1 1 451.592 4.612 20 0 JJADMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)cc1 ZINC001461679909 1067917072 /nfs/dbraw/zinc/91/70/72/1067917072.db2.gz VVPCDRRUOBCAPG-HXUWFJFHSA-N 1 1 451.592 4.610 20 0 JJADMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)cc1 ZINC001461679909 1067917084 /nfs/dbraw/zinc/91/70/84/1067917084.db2.gz VVPCDRRUOBCAPG-HXUWFJFHSA-N 1 1 451.592 4.610 20 0 JJADMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1 ZINC001461678923 1067917139 /nfs/dbraw/zinc/91/71/39/1067917139.db2.gz RDDFIPVJMYLGNF-QHCPKHFHSA-N 1 1 450.966 4.932 20 0 JJADMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1 ZINC001461678923 1067917145 /nfs/dbraw/zinc/91/71/45/1067917145.db2.gz RDDFIPVJMYLGNF-QHCPKHFHSA-N 1 1 450.966 4.932 20 0 JJADMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)cc1 ZINC001461679907 1067917159 /nfs/dbraw/zinc/91/71/59/1067917159.db2.gz VVPCDRRUOBCAPG-FQEVSTJZSA-N 1 1 451.592 4.610 20 0 JJADMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)cc1 ZINC001461679907 1067917162 /nfs/dbraw/zinc/91/71/62/1067917162.db2.gz VVPCDRRUOBCAPG-FQEVSTJZSA-N 1 1 451.592 4.610 20 0 JJADMO CCC1(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)CCCC1 ZINC001546126385 1067921246 /nfs/dbraw/zinc/92/12/46/1067921246.db2.gz VVSSDOZNUQEKIW-SFTDATJTSA-N 1 1 473.637 4.685 20 0 JJADMO O=C(CCc1cc(C(F)(F)F)ccc1Br)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001461719722 1067924787 /nfs/dbraw/zinc/92/47/87/1067924787.db2.gz STTZQSGBUIUHHG-SFHVURJKSA-N 1 1 455.318 4.791 20 0 JJADMO CN1CCN(c2ccc(CC[NH2+]Cc3ccc(-c4ccc(Br)cc4)o3)cc2)CC1 ZINC001461833327 1067943765 /nfs/dbraw/zinc/94/37/65/1067943765.db2.gz PMTLXCHZQGXTJH-UHFFFAOYSA-N 1 1 454.412 4.793 20 0 JJADMO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)cnn1C ZINC001461844444 1067945725 /nfs/dbraw/zinc/94/57/25/1067945725.db2.gz KZFZFYKPQBZSII-SFHVURJKSA-N 1 1 454.537 4.563 20 0 JJADMO CC(C)(C)OC(=O)Nc1ccc(-c2cccc(C[N@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)n2)cc1 ZINC001461849744 1067946666 /nfs/dbraw/zinc/94/66/66/1067946666.db2.gz NBPBJTOVNLJPGV-UXHICEINSA-N 1 1 451.489 4.983 20 0 JJADMO C[N@@H+](Cc1ccnc2c(Br)cccc12)[C@H](CO)c1cccc(Br)c1 ZINC001461874274 1067952158 /nfs/dbraw/zinc/95/21/58/1067952158.db2.gz QGPRXHAMSUWKMN-GOSISDBHSA-N 1 1 450.174 4.925 20 0 JJADMO Cc1c(C[N@@H+]2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)sc2c1cccc2Cl ZINC001461891830 1067955884 /nfs/dbraw/zinc/95/58/84/1067955884.db2.gz HVXLNXUHPCAHFU-INIZCTEOSA-N 1 1 453.004 4.945 20 0 JJADMO Cc1c(C[N@H+]2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)sc2c1cccc2Cl ZINC001461891830 1067955887 /nfs/dbraw/zinc/95/58/87/1067955887.db2.gz HVXLNXUHPCAHFU-INIZCTEOSA-N 1 1 453.004 4.945 20 0 JJADMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC001461895638 1067956541 /nfs/dbraw/zinc/95/65/41/1067956541.db2.gz DMLAHOAFEHKQLA-UHFFFAOYSA-N 1 1 453.587 4.889 20 0 JJADMO CN(C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1)C(=O)OC(C)(C)C ZINC001461902405 1067958569 /nfs/dbraw/zinc/95/85/69/1067958569.db2.gz NVEFIIVNXPOSLT-CYBMUJFWSA-N 1 1 455.422 4.590 20 0 JJADMO C[C@H](c1ccc2ccccc2c1)[N@@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CC1 ZINC001461907583 1067959222 /nfs/dbraw/zinc/95/92/22/1067959222.db2.gz OYVCRHCLVYXCEI-OAHLLOKOSA-N 1 1 459.409 4.975 20 0 JJADMO Cc1nn(-c2cccc(Br)c2)cc1CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001461915911 1067960569 /nfs/dbraw/zinc/96/05/69/1067960569.db2.gz VHYPLTPMKFUCEZ-RMKNXTFCSA-N 1 1 451.412 4.774 20 0 JJADMO CCOc1cc(C[N@@H+]2CCOC3(C2)CCCCCC3)ccc1OCc1ccc(C(=O)OC)o1 ZINC001461916147 1067960588 /nfs/dbraw/zinc/96/05/88/1067960588.db2.gz BGKQTNXDOVYIPJ-UHFFFAOYSA-N 1 1 457.567 4.969 20 0 JJADMO CCOc1cc(C[N@H+]2CCOC3(C2)CCCCCC3)ccc1OCc1ccc(C(=O)OC)o1 ZINC001461916147 1067960596 /nfs/dbraw/zinc/96/05/96/1067960596.db2.gz BGKQTNXDOVYIPJ-UHFFFAOYSA-N 1 1 457.567 4.969 20 0 JJADMO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2CCCc2ccccc2)C1 ZINC001461928363 1067962894 /nfs/dbraw/zinc/96/28/94/1067962894.db2.gz RPOLSAQDBFGFDM-DNQXCXABSA-N 1 1 457.659 4.627 20 0 JJADMO CN(C[C@@H]1CCC[N@H+]1Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C(=O)OC(C)(C)C ZINC001461931833 1067963177 /nfs/dbraw/zinc/96/31/77/1067963177.db2.gz BYSLWCCYNIAKNH-FQEVSTJZSA-N 1 1 452.521 4.782 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2C[N@H+]2CCCC[C@H]2Cc2ccc(F)cc2)C1 ZINC001461948947 1067967190 /nfs/dbraw/zinc/96/71/90/1067967190.db2.gz JLQLREVTCIDTDY-VXKWHMMOSA-N 1 1 457.594 4.586 20 0 JJADMO CCOC[C@H]1CCC[N@H+](Cc2nc(N(C)C)n(-c3ccc(Br)cc3)c2Cl)C1 ZINC001461959481 1067969464 /nfs/dbraw/zinc/96/94/64/1067969464.db2.gz HVDWQWDUYUCPSN-HNNXBMFYSA-N 1 1 455.828 4.603 20 0 JJADMO CCOC[C@H]1CCC[N@@H+](Cc2nc(N(C)C)n(-c3ccc(Br)cc3)c2Cl)C1 ZINC001461959481 1067969472 /nfs/dbraw/zinc/96/94/72/1067969472.db2.gz HVDWQWDUYUCPSN-HNNXBMFYSA-N 1 1 455.828 4.603 20 0 JJADMO CC(C)(C)OC(=O)N[C@H]1C[C@@H](CN2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)C1 ZINC001461967082 1067970900 /nfs/dbraw/zinc/97/09/00/1067970900.db2.gz ZTDUTFJXXFVXKM-KDURUIRLSA-N 1 1 459.631 4.975 20 0 JJADMO COC(=O)c1ccc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1Br ZINC001461968520 1067971596 /nfs/dbraw/zinc/97/15/96/1067971596.db2.gz WYSVVIYUZWLCIT-UHFFFAOYSA-N 1 1 457.412 4.724 20 0 JJADMO CC[C@H]1CCC[C@H](C[NH+]2CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)C1 ZINC001461971367 1067971975 /nfs/dbraw/zinc/97/19/75/1067971975.db2.gz PARSUTVXSQMQJX-HOTGVXAUSA-N 1 1 452.970 4.882 20 0 JJADMO CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CC[N@H+]1Cc1ccc(OCC(=O)OC)cc1 ZINC001461999731 1067977589 /nfs/dbraw/zinc/97/75/89/1067977589.db2.gz REIJPVIDGVFKDV-NRFANRHFSA-N 1 1 450.501 4.748 20 0 JJADMO C[C@@]1(c2ccccc2)CC[C@@H]([NH+]2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC001462017100 1067981784 /nfs/dbraw/zinc/98/17/84/1067981784.db2.gz GCVCOVQEGQNVCC-XMSQKQJNSA-N 1 1 453.435 4.810 20 0 JJADMO Cc1cc(Cl)ccc1Oc1ccc(F)cc1CN1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001462017954 1067981854 /nfs/dbraw/zinc/98/18/54/1067981854.db2.gz GCVULPYJFABNGS-UHFFFAOYSA-N 1 1 459.993 4.710 20 0 JJADMO Cc1cc(Cl)ccc1Oc1ccc(F)cc1CN1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001462017954 1067981861 /nfs/dbraw/zinc/98/18/61/1067981861.db2.gz GCVULPYJFABNGS-UHFFFAOYSA-N 1 1 459.993 4.710 20 0 JJADMO CC(C)c1nn(Cc2ccccc2)c(Cl)c1CN1CC[NH+](CCOc2ccccc2)CC1 ZINC001462017557 1067981932 /nfs/dbraw/zinc/98/19/32/1067981932.db2.gz AKPDASBSLDIKNO-UHFFFAOYSA-N 1 1 453.030 4.905 20 0 JJADMO Cc1cc(N2CCC[C@H]([NH2+]C3CCN(Cc4ccccc4)CC3)C2=O)ccc1Br ZINC001462055998 1067992463 /nfs/dbraw/zinc/99/24/63/1067992463.db2.gz SLSPRIQWERFDCJ-QHCPKHFHSA-N 1 1 456.428 4.507 20 0 JJADMO Cc1cc(N2CCC[C@@H]([NH2+]C3CCN(Cc4ccccc4)CC3)C2=O)ccc1Br ZINC001462055995 1067992616 /nfs/dbraw/zinc/99/26/16/1067992616.db2.gz SLSPRIQWERFDCJ-HSZRJFAPSA-N 1 1 456.428 4.507 20 0 JJADMO CCO[C@@H]1C[C@H]([NH2+]Cc2c(Br)cc(F)c(F)c2N2CCCCC2)[C@@]12CCCO2 ZINC001462061529 1067993916 /nfs/dbraw/zinc/99/39/16/1067993916.db2.gz GWPAUJBVONKLKA-UEXGIBASSA-N 1 1 459.375 4.534 20 0 JJADMO CC(=O)N(c1nc(C[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)cs1)c1ccccc1 ZINC001462082264 1067998359 /nfs/dbraw/zinc/99/83/59/1067998359.db2.gz PNEDAHASOMBYEY-UHFFFAOYSA-N 1 1 451.527 4.739 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)CCCOc2ccccc2F)cc1 ZINC001462107045 1068004571 /nfs/dbraw/zinc/00/45/71/1068004571.db2.gz ITGBJRBYVAQUNP-AZGAKELHSA-N 1 1 462.565 4.778 20 0 JJADMO CC(=O)N1CC[NH+](Cc2ccccc2NCc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC001462107593 1068004695 /nfs/dbraw/zinc/00/46/95/1068004695.db2.gz WGDQBFGOKDIIQJ-UHFFFAOYSA-N 1 1 459.638 4.505 20 0 JJADMO COc1ccc(CCC(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)c(Br)c1 ZINC001462120784 1068009122 /nfs/dbraw/zinc/00/91/22/1068009122.db2.gz TWKBGWLIVVBJOC-OAQYLSRUSA-N 1 1 459.428 4.951 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CN(Cc1ccco1)c1cccc(Cl)c1 ZINC001462122586 1068009525 /nfs/dbraw/zinc/00/95/25/1068009525.db2.gz NBABADORLDGUJY-IRLDBZIGSA-N 1 1 451.998 4.824 20 0 JJADMO Cc1ccccc1-n1ncc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1C(F)(F)F ZINC001462132932 1068012559 /nfs/dbraw/zinc/01/25/59/1068012559.db2.gz ZASLLQHCBZHDQL-QUCCMNQESA-N 1 1 456.512 4.697 20 0 JJADMO CN(C(=O)[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2)C1)c1ccccc1 ZINC001462165727 1068020075 /nfs/dbraw/zinc/02/00/75/1068020075.db2.gz ZQNYMIGCUVHTEG-OAHLLOKOSA-N 1 1 452.190 4.697 20 0 JJADMO CN(C(=O)[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2)C1)c1ccccc1 ZINC001462165727 1068020083 /nfs/dbraw/zinc/02/00/83/1068020083.db2.gz ZQNYMIGCUVHTEG-OAHLLOKOSA-N 1 1 452.190 4.697 20 0 JJADMO Brc1cccc(OCC[N@@H+](Cc2cn(C3CCC3)nn2)C[C@@H]2CCCS2)c1 ZINC001462170624 1068021409 /nfs/dbraw/zinc/02/14/09/1068021409.db2.gz OZYRELWWFAZTRH-FQEVSTJZSA-N 1 1 451.434 4.542 20 0 JJADMO Brc1cccc(OCC[N@H+](Cc2cn(C3CCC3)nn2)C[C@@H]2CCCS2)c1 ZINC001462170624 1068021421 /nfs/dbraw/zinc/02/14/21/1068021421.db2.gz OZYRELWWFAZTRH-FQEVSTJZSA-N 1 1 451.434 4.542 20 0 JJADMO CC[N@H+]1CCC[C@@H]1CN(Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)Cc1ccncc1 ZINC001462191278 1068025515 /nfs/dbraw/zinc/02/55/15/1068025515.db2.gz RBSHLFBSJIWMNV-XMMPIXPASA-N 1 1 457.544 4.832 20 0 JJADMO C[C@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@@H+]2Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC001462222836 1068031584 /nfs/dbraw/zinc/03/15/84/1068031584.db2.gz CTOZIYFMRLIOTG-IRXDYDNUSA-N 1 1 452.621 4.713 20 0 JJADMO C[C@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@H+]2Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC001462222836 1068031602 /nfs/dbraw/zinc/03/16/02/1068031602.db2.gz CTOZIYFMRLIOTG-IRXDYDNUSA-N 1 1 452.621 4.713 20 0 JJADMO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC001462232344 1068034336 /nfs/dbraw/zinc/03/43/36/1068034336.db2.gz DJXJZGZRPARTMY-GHTZIAJQSA-N 1 1 450.023 4.630 20 0 JJADMO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2c2ccc(Cl)cc2)C1 ZINC001462233588 1068034793 /nfs/dbraw/zinc/03/47/93/1068034793.db2.gz DJXJZGZRPARTMY-NQIIRXRSSA-N 1 1 450.023 4.630 20 0 JJADMO CCOC(=O)Cn1cc(C[N@@H+](CC(C)C)[C@@H](C)c2ccccc2Cl)c(-c2cnn(C)c2)n1 ZINC001462240462 1068035766 /nfs/dbraw/zinc/03/57/66/1068035766.db2.gz VHHYONOCERRUKM-SFHVURJKSA-N 1 1 458.006 4.719 20 0 JJADMO CCOC(=O)Cn1cc(C[N@@H+](CC(C)C)[C@H](C)c2ccccc2Cl)c(-c2cnn(C)c2)n1 ZINC001462240458 1068036108 /nfs/dbraw/zinc/03/61/08/1068036108.db2.gz VHHYONOCERRUKM-GOSISDBHSA-N 1 1 458.006 4.719 20 0 JJADMO Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)C1 ZINC001462256654 1068039684 /nfs/dbraw/zinc/03/96/84/1068039684.db2.gz CYLPCJKNEBWDPG-AQDCRGGLSA-N 1 1 452.904 4.698 20 0 JJADMO Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)C1 ZINC001462256654 1068039696 /nfs/dbraw/zinc/03/96/96/1068039696.db2.gz CYLPCJKNEBWDPG-AQDCRGGLSA-N 1 1 452.904 4.698 20 0 JJADMO COC(=O)[C@H](C)Oc1ccc(C[N@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)cc1 ZINC001462280791 1068043129 /nfs/dbraw/zinc/04/31/29/1068043129.db2.gz GULDXVAWNOYZFR-KKSFZXQISA-N 1 1 451.485 4.998 20 0 JJADMO CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC001462294931 1068046161 /nfs/dbraw/zinc/04/61/61/1068046161.db2.gz XLQILOSOWNOGLA-MRXNPFEDSA-N 1 1 458.546 4.847 20 0 JJADMO CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001462302187 1068047420 /nfs/dbraw/zinc/04/74/20/1068047420.db2.gz CSCRHVCNNVQHQI-SANMLTNESA-N 1 1 455.599 4.876 20 0 JJADMO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2Oc2cccc(Cl)c2)C1)C1CC1 ZINC001462316416 1068050375 /nfs/dbraw/zinc/05/03/75/1068050375.db2.gz IMFMUGWRINTFNW-INIZCTEOSA-N 1 1 452.979 4.565 20 0 JJADMO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2Oc2cccc(Cl)c2)C1)C1CC1 ZINC001462316416 1068050386 /nfs/dbraw/zinc/05/03/86/1068050386.db2.gz IMFMUGWRINTFNW-INIZCTEOSA-N 1 1 452.979 4.565 20 0 JJADMO COc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc(OC)c1OCC(F)F ZINC001462333493 1068052968 /nfs/dbraw/zinc/05/29/68/1068052968.db2.gz OJDPSSZRGXMWBL-QGZVFWFLSA-N 1 1 453.448 4.529 20 0 JJADMO C[C@H]1CC[C@@H]([NH2+]Cc2c(F)c(F)c(Br)c(F)c2F)CN1C(=O)OC(C)(C)C ZINC001462369057 1068061712 /nfs/dbraw/zinc/06/17/12/1068061712.db2.gz CPRPDHXSJQRFGH-VHSXEESVSA-N 1 1 455.290 4.883 20 0 JJADMO Cn1cc([C@@H]2C[N@H+](CCCc3c(Cl)cccc3Cl)C[C@H]2NC(=O)OC(C)(C)C)cn1 ZINC001462376056 1068062606 /nfs/dbraw/zinc/06/26/06/1068062606.db2.gz RHMSWDRXWWYCKH-FXAWDEMLSA-N 1 1 453.414 4.652 20 0 JJADMO Cn1cc([C@@H]2C[N@@H+](CCCc3c(Cl)cccc3Cl)C[C@H]2NC(=O)OC(C)(C)C)cn1 ZINC001462376056 1068062620 /nfs/dbraw/zinc/06/26/20/1068062620.db2.gz RHMSWDRXWWYCKH-FXAWDEMLSA-N 1 1 453.414 4.652 20 0 JJADMO CC(C)(C)OC(=O)CC[N@@H+](Cc1cn(Cc2ccccc2)nc1C(C)(C)C)C1CCOCC1 ZINC001462379964 1068063347 /nfs/dbraw/zinc/06/33/47/1068063347.db2.gz KVTUXLXSFKLHBM-UHFFFAOYSA-N 1 1 455.643 4.942 20 0 JJADMO CC(C)(C)[C@@]1(CNc2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001462388939 1068064393 /nfs/dbraw/zinc/06/43/93/1068064393.db2.gz AESKNIIRSCPIDN-RUZDIDTESA-N 1 1 459.631 4.617 20 0 JJADMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001462400334 1068066066 /nfs/dbraw/zinc/06/60/66/1068066066.db2.gz XTLPIYRMDYNXDU-AVRDEDQJSA-N 1 1 459.631 4.857 20 0 JJADMO CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001462409393 1068067715 /nfs/dbraw/zinc/06/77/15/1068067715.db2.gz GNVNJDNQEYOMSU-QYBDOPJKSA-N 1 1 455.599 4.780 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccccc3OCC(F)F)C2)C1 ZINC001462409936 1068067970 /nfs/dbraw/zinc/06/79/70/1068067970.db2.gz XQKFIKCTGFJKRS-ZVDOUQERSA-N 1 1 454.558 4.615 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC001462410553 1068068331 /nfs/dbraw/zinc/06/83/31/1068068331.db2.gz ZVTFQUVYSPDMRK-HLIPFELVSA-N 1 1 458.521 4.711 20 0 JJADMO Cc1ccc(OCCCC(=O)N2CC[C@]3(C2)C[N@@H+](Cc2ccccc2)C[C@H](C)O3)c(Cl)c1 ZINC001462436165 1068073494 /nfs/dbraw/zinc/07/34/94/1068073494.db2.gz FHILNNIIOVDMPC-HFZDXXHNSA-N 1 1 457.014 4.699 20 0 JJADMO Cc1ccc(OCCCC(=O)N2CC[C@]3(C2)C[N@H+](Cc2ccccc2)C[C@H](C)O3)c(Cl)c1 ZINC001462436165 1068073503 /nfs/dbraw/zinc/07/35/03/1068073503.db2.gz FHILNNIIOVDMPC-HFZDXXHNSA-N 1 1 457.014 4.699 20 0 JJADMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)C2)O1 ZINC001462439695 1068074801 /nfs/dbraw/zinc/07/48/01/1068074801.db2.gz JETTWMXSTVQGAX-KSFYIVLOSA-N 1 1 452.904 4.864 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)C2)O1 ZINC001462439695 1068074815 /nfs/dbraw/zinc/07/48/15/1068074815.db2.gz JETTWMXSTVQGAX-KSFYIVLOSA-N 1 1 452.904 4.864 20 0 JJADMO Cc1cc(OCCCC(=O)N2CC[C@]3(C2)C[N@@H+](Cc2ccccc2)C[C@@H](C)O3)ccc1Cl ZINC001462443765 1068075700 /nfs/dbraw/zinc/07/57/00/1068075700.db2.gz OHDUAMWPEYIKIA-QFQXNSOFSA-N 1 1 457.014 4.699 20 0 JJADMO Cc1cc(OCCCC(=O)N2CC[C@]3(C2)C[N@H+](Cc2ccccc2)C[C@@H](C)O3)ccc1Cl ZINC001462443765 1068075710 /nfs/dbraw/zinc/07/57/10/1068075710.db2.gz OHDUAMWPEYIKIA-QFQXNSOFSA-N 1 1 457.014 4.699 20 0 JJADMO Cc1ccc(-n2c(Cl)c(CNCC3(c4ccccc4)CC[NH+](C)CC3)nc2N(C)C)cc1 ZINC001462511975 1068088490 /nfs/dbraw/zinc/08/84/90/1068088490.db2.gz METQUOTXMLXWSU-UHFFFAOYSA-N 1 1 452.046 4.653 20 0 JJADMO CCOc1cc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)ccc1OCc1ccc(C(=O)OC)o1 ZINC001462515797 1068089384 /nfs/dbraw/zinc/08/93/84/1068089384.db2.gz NSRQQCUXLUKMRC-OAQYLSRUSA-N 1 1 457.567 4.968 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3conc3Cc3ccccc3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001462521458 1068090472 /nfs/dbraw/zinc/09/04/72/1068090472.db2.gz WXIFOASFNOMKOI-UKILVPOCSA-N 1 1 463.578 4.767 20 0 JJADMO CCOCOc1ccc(C[N@@H+]2C[C@@H](c3ccc(OC)cc3)[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001462521731 1068090519 /nfs/dbraw/zinc/09/05/19/1068090519.db2.gz YRMWGDZFGRTMEP-BJKOFHAPSA-N 1 1 456.583 4.561 20 0 JJADMO O=C(NCCn1ccc(C(F)(F)F)n1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001462570817 1068100598 /nfs/dbraw/zinc/10/05/98/1068100598.db2.gz XMAHJOWWGQLWFO-LEWJYISDSA-N 1 1 476.930 4.587 20 0 JJADMO CCC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)CCOCC1 ZINC001546132567 1068101770 /nfs/dbraw/zinc/10/17/70/1068101770.db2.gz NHVJSPJCYIGKRR-GOSISDBHSA-N 1 1 496.483 4.616 20 0 JJADMO COc1cc(C[NH+]2CCC(Cc3nc(-c4ccc(F)cn4)no3)CC2)cc(C(F)(F)F)c1 ZINC001462576331 1068102351 /nfs/dbraw/zinc/10/23/51/1068102351.db2.gz JZUZEKWDWNFIMK-UHFFFAOYSA-N 1 1 450.436 4.753 20 0 JJADMO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CCCCCOc2ccccc2)CC1 ZINC001462589202 1068105763 /nfs/dbraw/zinc/10/57/63/1068105763.db2.gz UYGCJNCCOZLAOA-PSWAGMNNSA-N 1 1 457.659 4.784 20 0 JJADMO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC001462589202 1068105771 /nfs/dbraw/zinc/10/57/71/1068105771.db2.gz UYGCJNCCOZLAOA-PSWAGMNNSA-N 1 1 457.659 4.784 20 0 JJADMO CC(C)(C)OC(=O)N1CCO[C@]2(CC[N@@H+](CC(c3ccc(F)cc3)c3ccc(F)cc3)C2)C1 ZINC001462590340 1068106706 /nfs/dbraw/zinc/10/67/06/1068106706.db2.gz YXFOSGNNYSHZNH-SANMLTNESA-N 1 1 458.549 4.809 20 0 JJADMO CC(C)(C)OC(=O)NCC1(C[N@@H+]2Cc3cc(Br)ccc3OC3(CCC3)C2)CC1 ZINC001462591475 1068107108 /nfs/dbraw/zinc/10/71/08/1068107108.db2.gz OCORTGGCTGNUDE-UHFFFAOYSA-N 1 1 451.405 4.871 20 0 JJADMO CC(C)(C)OC(=O)NCC1(C[N@H+]2Cc3cc(Br)ccc3OC3(CCC3)C2)CC1 ZINC001462591475 1068107113 /nfs/dbraw/zinc/10/71/13/1068107113.db2.gz OCORTGGCTGNUDE-UHFFFAOYSA-N 1 1 451.405 4.871 20 0 JJADMO CC(C)(C)OC(=O)N(CC[N@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1)C(C)(C)C ZINC001462620651 1068113666 /nfs/dbraw/zinc/11/36/66/1068113666.db2.gz HXUQJDMTIYQFDC-JOCHJYFZSA-N 1 1 455.437 4.768 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H](C2CC[NH+](Cc3cn(-c4ccc(F)cc4)nn3)CC2)CC1 ZINC001462624049 1068115556 /nfs/dbraw/zinc/11/55/56/1068115556.db2.gz UKCRVTFESUBENN-LJQANCHMSA-N 1 1 457.594 4.656 20 0 JJADMO COc1cc(C)ccc1Oc1ccccc1C[N@@H+]1CCC[C@](CO)(NC(=O)OC(C)(C)C)C1 ZINC001462629246 1068117561 /nfs/dbraw/zinc/11/75/61/1068117561.db2.gz NRJANWASIDYNIM-SANMLTNESA-N 1 1 456.583 4.648 20 0 JJADMO COc1cc(C)ccc1Oc1ccccc1C[N@H+]1CCC[C@](CO)(NC(=O)OC(C)(C)C)C1 ZINC001462629246 1068117566 /nfs/dbraw/zinc/11/75/66/1068117566.db2.gz NRJANWASIDYNIM-SANMLTNESA-N 1 1 456.583 4.648 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)CCOc2cc(Cl)cc(Cl)c2)CCOCC1 ZINC001462643963 1068122300 /nfs/dbraw/zinc/12/23/00/1068122300.db2.gz JIIOOJVVEFETMM-UHFFFAOYSA-N 1 1 451.394 4.560 20 0 JJADMO COc1cc(CCC(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)ccc1OCC(F)(F)F ZINC001462645406 1068122878 /nfs/dbraw/zinc/12/28/78/1068122878.db2.gz UTCCZIPFYIKQBO-BWKNWUBXSA-N 1 1 476.539 4.549 20 0 JJADMO CC(C)[C@@H]1CCC[C@](NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)(C(F)(F)F)CC1 ZINC001462648381 1068123903 /nfs/dbraw/zinc/12/39/03/1068123903.db2.gz RHZQGMDOPWFWMF-KTDPBYDISA-N 1 1 456.597 4.888 20 0 JJADMO CC(=O)N(c1nc(C[NH2+][C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)cs1)c1ccc(C)c(C)c1 ZINC001462650710 1068123955 /nfs/dbraw/zinc/12/39/55/1068123955.db2.gz XGIRULVKOHAALJ-WGSAOQKQSA-N 1 1 458.628 4.837 20 0 JJADMO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cc3c(Br)cc(F)c(F)c3N3CCCCC3)C[C@H]2C1 ZINC001462655417 1068125754 /nfs/dbraw/zinc/12/57/54/1068125754.db2.gz QZZAKZDROCYQFS-BRWVUGGUSA-N 1 1 456.419 4.880 20 0 JJADMO COC(=O)c1cnc([C@@H](C)[NH2+]C[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)s1 ZINC001462666000 1068127207 /nfs/dbraw/zinc/12/72/07/1068127207.db2.gz ZRXMVVNBMHTDNH-CJNGLKHVSA-N 1 1 452.502 4.729 20 0 JJADMO CN(C)[C@H](CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)C(F)(F)F ZINC001462690590 1068132175 /nfs/dbraw/zinc/13/21/75/1068132175.db2.gz RFGNQHLPBATCEH-BHDDXSALSA-N 1 1 467.963 4.554 20 0 JJADMO Cc1ccc(Br)c(S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)c1 ZINC001462733167 1068147234 /nfs/dbraw/zinc/14/72/34/1068147234.db2.gz OQKOZVIHZVGIEP-QGZVFWFLSA-N 1 1 457.459 4.571 20 0 JJADMO COc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)cc(OC)c1C(C)C ZINC001462768670 1068161309 /nfs/dbraw/zinc/16/13/09/1068161309.db2.gz FSAMJXUQQXRFTM-RTBURBONSA-N 1 1 450.501 4.620 20 0 JJADMO COc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)cc(OC)c1C(C)C ZINC001462768670 1068161314 /nfs/dbraw/zinc/16/13/14/1068161314.db2.gz FSAMJXUQQXRFTM-RTBURBONSA-N 1 1 450.501 4.620 20 0 JJADMO Cc1ccnc(Oc2ccc(C(=O)N[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C(F)(F)F)cc2)c1 ZINC001462769523 1068161929 /nfs/dbraw/zinc/16/19/29/1068161929.db2.gz KPYNDGZRKMGGFI-FGZHOGPDSA-N 1 1 455.480 4.975 20 0 JJADMO Cc1ccnc(Oc2ccc(C(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C(F)(F)F)cc2)c1 ZINC001462769523 1068161932 /nfs/dbraw/zinc/16/19/32/1068161932.db2.gz KPYNDGZRKMGGFI-FGZHOGPDSA-N 1 1 455.480 4.975 20 0 JJADMO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)c2cccc(C(C)(C)C)c2)CC1 ZINC001462774901 1068164333 /nfs/dbraw/zinc/16/43/33/1068164333.db2.gz CBTIQVVLPGVUHN-ZRZAMGCNSA-N 1 1 455.643 4.672 20 0 JJADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNS(=O)(=O)c2c3ncsc3ccc2Cl)cc1 ZINC001462828595 1068180917 /nfs/dbraw/zinc/18/09/17/1068180917.db2.gz AYEWPAALXJDAIF-HNNXBMFYSA-N 1 1 450.029 4.803 20 0 JJADMO COc1ccccc1[C@H](CNS(=O)(=O)c1ccc(OC2CCCC2)cc1)[NH+]1CCCCC1 ZINC001462866450 1068196210 /nfs/dbraw/zinc/19/62/10/1068196210.db2.gz AOXLTHAFRMMPIC-DEOSSOPVSA-N 1 1 458.624 4.522 20 0 JJADMO CC(C)C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)cc1 ZINC001462893916 1068205463 /nfs/dbraw/zinc/20/54/63/1068205463.db2.gz XPJXXJFPSYEHCE-UHFFFAOYSA-N 1 1 457.640 4.524 20 0 JJADMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)c2cc3ccccc3o2)CC1 ZINC001462894456 1068206021 /nfs/dbraw/zinc/20/60/21/1068206021.db2.gz GLXWHKVYTKKDQC-UHFFFAOYSA-N 1 1 452.498 4.737 20 0 JJADMO CCN([C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC001462899347 1068208247 /nfs/dbraw/zinc/20/82/47/1068208247.db2.gz XHQBJWUMXCIDAX-DENIHFKCSA-N 1 1 457.640 4.517 20 0 JJADMO CCCN([C@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1csnc1-c1ccccc1 ZINC001462981186 1068237614 /nfs/dbraw/zinc/23/76/14/1068237614.db2.gz HFWHGEDPOLTCOL-QFIPXVFZSA-N 1 1 455.649 4.875 20 0 JJADMO CC(=O)c1cccc(O[C@H](C)C(=O)N[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC001463145511 1068301986 /nfs/dbraw/zinc/30/19/86/1068301986.db2.gz BTLHHQHCWXOCEK-KBKXWFDOSA-N 1 1 456.586 4.831 20 0 JJADMO O=C(COc1cccc(C(F)(F)F)c1)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001463178054 1068310874 /nfs/dbraw/zinc/31/08/74/1068310874.db2.gz XKZMNARYHGRKJJ-BJKOFHAPSA-N 1 1 454.492 4.869 20 0 JJADMO C[N@@H+](CCCOc1ccccc1CNS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1 ZINC001463222206 1068324484 /nfs/dbraw/zinc/32/44/84/1068324484.db2.gz YZACLYNFYQMOOE-UHFFFAOYSA-N 1 1 452.620 4.962 20 0 JJADMO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)CC[N@H+]1Cc1ccccc1 ZINC001463231559 1068328685 /nfs/dbraw/zinc/32/86/85/1068328685.db2.gz OFNMIXSYIZJZHT-IEBWSBKVSA-N 1 1 457.665 4.925 20 0 JJADMO CC1(C)C[C@@H](NS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C(C)(C)O1 ZINC001463417956 1068391411 /nfs/dbraw/zinc/39/14/11/1068391411.db2.gz INFRIXAANCPBEX-YTFSRNRJSA-N 1 1 477.070 4.574 20 0 JJADMO O=C(N[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1cc(OCc2ccccc2)ccn1 ZINC001463522936 1068427295 /nfs/dbraw/zinc/42/72/95/1068427295.db2.gz BQBQQCCDFRXNOS-XMMPIXPASA-N 1 1 455.480 4.597 20 0 JJADMO O=C(N[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1cc(OCc2ccccc2)ccn1 ZINC001463522936 1068427300 /nfs/dbraw/zinc/42/73/00/1068427300.db2.gz BQBQQCCDFRXNOS-XMMPIXPASA-N 1 1 455.480 4.597 20 0 JJADMO Cc1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc(C)c1OCc1ccccc1 ZINC001463612539 1068466024 /nfs/dbraw/zinc/46/60/24/1068466024.db2.gz KMNOZRQGOZQDNE-DEOSSOPVSA-N 1 1 456.652 4.958 20 0 JJADMO O=S(=O)(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC001463638257 1068477736 /nfs/dbraw/zinc/47/77/36/1068477736.db2.gz IUBSLORKOSKAGN-HXUWFJFHSA-N 1 1 456.995 4.933 20 0 JJADMO COc1ccc([C@H](CNC(=O)c2ccc(C(=O)c3cccc(O)c3)cc2)[NH+]2CCCCC2)cc1 ZINC001463656415 1068484450 /nfs/dbraw/zinc/48/44/50/1068484450.db2.gz CSYLAWKWJTXUCW-SANMLTNESA-N 1 1 458.558 4.589 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001463662311 1068487158 /nfs/dbraw/zinc/48/71/58/1068487158.db2.gz DBJKNILIDPYSGR-HSZRJFAPSA-N 1 1 451.611 4.623 20 0 JJADMO C=Cc1ccc(CCNS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)cc1 ZINC001463744592 1068510854 /nfs/dbraw/zinc/51/08/54/1068510854.db2.gz DUMGMTDJFPBGQJ-RRPNLBNLSA-N 1 1 464.606 4.599 20 0 JJADMO O=S(=O)(CCC1CCCCC1)N(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001463758619 1068514926 /nfs/dbraw/zinc/51/49/26/1068514926.db2.gz JASGKJGTYNRSQA-AREMUKBSSA-N 1 1 455.668 4.848 20 0 JJADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2ccccc2SCc2ccccc2)CC1 ZINC001463763234 1068516734 /nfs/dbraw/zinc/51/67/34/1068516734.db2.gz JVTRGXQUZDVFMS-UHFFFAOYSA-N 1 1 455.624 4.860 20 0 JJADMO Nc1c(Cl)cc(C(=O)NN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC001463800205 1068529087 /nfs/dbraw/zinc/52/90/87/1068529087.db2.gz KTDWUISRJHFHFD-UHFFFAOYSA-N 1 1 455.389 4.628 20 0 JJADMO CCCOc1cc(OC)ccc1C(=O)NN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC001463800857 1068529636 /nfs/dbraw/zinc/52/96/36/1068529636.db2.gz PBTFOGZUDZYCJX-UHFFFAOYSA-N 1 1 459.590 4.536 20 0 JJADMO Cc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001463848816 1068547015 /nfs/dbraw/zinc/54/70/15/1068547015.db2.gz VHLINAILPBPWDL-XZOQPEGZSA-N 1 1 458.986 4.734 20 0 JJADMO CC(C)(C(=O)N1CC[NH+](CCc2ccccc2)CC1)c1csc(-c2cc(F)ccc2F)n1 ZINC001463850434 1068547539 /nfs/dbraw/zinc/54/75/39/1068547539.db2.gz QSEQRHDMGASULO-UHFFFAOYSA-N 1 1 455.574 4.753 20 0 JJADMO Cc1ccc(CN(C)S(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)cc1C ZINC001463878000 1068554129 /nfs/dbraw/zinc/55/41/29/1068554129.db2.gz USZOIOBACUMOBQ-RRPNLBNLSA-N 1 1 466.622 4.872 20 0 JJADMO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3Nc3ccc(C(C)=O)cc3)CC2)cc1 ZINC001463897784 1068558735 /nfs/dbraw/zinc/55/87/35/1068558735.db2.gz BUCMGZBOWVHUEK-UHFFFAOYSA-N 1 1 457.574 4.990 20 0 JJADMO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc4ccc(Br)cc4c3)CC2)cc1 ZINC001463898979 1068559275 /nfs/dbraw/zinc/55/92/75/1068559275.db2.gz LIVCCANDGVDZQL-UHFFFAOYSA-N 1 1 453.380 4.959 20 0 JJADMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(NC(=O)CC(C)C)ccc3Cl)CC2)cc1 ZINC001463899422 1068559432 /nfs/dbraw/zinc/55/94/32/1068559432.db2.gz PKJMWFBVFFRNNC-UHFFFAOYSA-N 1 1 458.002 4.681 20 0 JJADMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cc(NC(=O)CC(C)C)ccc3Cl)CC2)cc1 ZINC001463899422 1068559439 /nfs/dbraw/zinc/55/94/39/1068559439.db2.gz PKJMWFBVFFRNNC-UHFFFAOYSA-N 1 1 458.002 4.681 20 0 JJADMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](CNS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1 ZINC001463946427 1068572196 /nfs/dbraw/zinc/57/21/96/1068572196.db2.gz IMYHXYDLDXLZFV-DVECYGJZSA-N 1 1 456.995 4.756 20 0 JJADMO Cc1cccc(Oc2ccc(S(=O)(=O)N3CC[C@@H]([N@@H+](C)CCc4ccccc4)C3)cc2)c1 ZINC001464022193 1068591858 /nfs/dbraw/zinc/59/18/58/1068591858.db2.gz IDUFSACLKQYQJF-HSZRJFAPSA-N 1 1 450.604 4.725 20 0 JJADMO CC(C)c1cccc(O[C@@H](C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)c2ccccc2)c1 ZINC001464040547 1068596887 /nfs/dbraw/zinc/59/68/87/1068596887.db2.gz CNTHCBPMSAVBTL-MUUNZHRXSA-N 1 1 457.618 4.869 20 0 JJADMO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)C4CC(C)(C)CC(C)(C)C4)CC3)n2)cc1 ZINC001464076558 1068607082 /nfs/dbraw/zinc/60/70/82/1068607082.db2.gz MWDXXNGZTQJHHA-UHFFFAOYSA-N 1 1 452.643 4.974 20 0 JJADMO O=C(CCCCc1ccc(Cl)c(Cl)c1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001464085746 1068609077 /nfs/dbraw/zinc/60/90/77/1068609077.db2.gz JSGRYGXHTFEZRT-UHFFFAOYSA-N 1 1 452.401 4.784 20 0 JJADMO CC[C@@H](CNC(=O)c1cc(-c2ccc(Br)cc2)no1)[N@H+]1CCc2ccccc2C1 ZINC001464097198 1068614070 /nfs/dbraw/zinc/61/40/70/1068614070.db2.gz GNZBOLYENGTULG-FQEVSTJZSA-N 1 1 454.368 4.671 20 0 JJADMO CC[C@H](CNC(=O)c1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C)[N@H+]1CCc2ccccc2C1 ZINC001464097592 1068614179 /nfs/dbraw/zinc/61/41/79/1068614179.db2.gz GPKIFTMNMRUQBZ-OAQYLSRUSA-N 1 1 456.512 4.971 20 0 JJADMO CC[C@H](CNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C)[N@H+]1CCc2ccccc2C1 ZINC001464099832 1068615528 /nfs/dbraw/zinc/61/55/28/1068615528.db2.gz HSQJOQYYJAWLAM-OAQYLSRUSA-N 1 1 456.512 4.766 20 0 JJADMO Cc1cc(CCC(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1Br ZINC001464117896 1068620562 /nfs/dbraw/zinc/62/05/62/1068620562.db2.gz BIASMMACAWIXCJ-KDURUIRLSA-N 1 1 459.428 4.616 20 0 JJADMO COc1ccc(C(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1OC1CCCC1 ZINC001464120263 1068621888 /nfs/dbraw/zinc/62/18/88/1068621888.db2.gz JVUNKDQJPVVNEM-BGYRXZFFSA-N 1 1 452.595 4.556 20 0 JJADMO CCN1CC[NH+](Cc2ccc(NC(=O)c3cccc(Oc4ccc(Cl)cn4)c3)cc2)CC1 ZINC001464124083 1068623104 /nfs/dbraw/zinc/62/31/04/1068623104.db2.gz GDWAVIMZYRMBGV-UHFFFAOYSA-N 1 1 450.970 4.917 20 0 JJADMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001464124740 1068624363 /nfs/dbraw/zinc/62/43/63/1068624363.db2.gz VIAZDGJQCACYRU-UHFFFAOYSA-N 1 1 457.290 4.526 20 0 JJADMO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001464136492 1068630019 /nfs/dbraw/zinc/63/00/19/1068630019.db2.gz KSBDTGKFGVVZJN-UXHICEINSA-N 1 1 450.341 4.579 20 0 JJADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc4cncc(Br)c4n3)cc2)C1 ZINC001464154852 1068635856 /nfs/dbraw/zinc/63/58/56/1068635856.db2.gz QWJAGDNTFZZDKW-INIZCTEOSA-N 1 1 453.384 4.554 20 0 JJADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)cc2)C1 ZINC001464154790 1068635863 /nfs/dbraw/zinc/63/58/63/1068635863.db2.gz QDCGYRRSWOLRJF-NFBKMPQASA-N 1 1 455.643 4.572 20 0 JJADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cn3c4ccccc4nc3SC(F)F)cc2)C1 ZINC001464154812 1068635869 /nfs/dbraw/zinc/63/58/69/1068635869.db2.gz QHZVEBXBHQNZJL-KRWDZBQOSA-N 1 1 458.578 4.899 20 0 JJADMO CCN1CC[NH+](Cc2ccc(CNC(=O)C(F)(F)c3cc(Cl)ccc3Cl)cc2)CC1 ZINC001464158678 1068637672 /nfs/dbraw/zinc/63/76/72/1068637672.db2.gz JXGWIJJILIJJSC-UHFFFAOYSA-N 1 1 456.364 4.539 20 0 JJADMO COC(=O)c1cc(Br)cc(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1 ZINC001464175396 1068643677 /nfs/dbraw/zinc/64/36/77/1068643677.db2.gz RFLQTTCPWXPJIH-MRXNPFEDSA-N 1 1 459.384 4.540 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2ccc(S[C@H]3CCOC3=O)cc2)C1 ZINC001464193571 1068651018 /nfs/dbraw/zinc/65/10/18/1068651018.db2.gz LNYYGUZODWZQBU-GLDPYIMESA-N 1 1 452.620 4.502 20 0 JJADMO CC(C)c1ccc([C@@H](CNC(=O)[C@H](C)N2CCSCC2)[N@@H+]2CCc3sccc3C2)cc1 ZINC001464206515 1068656774 /nfs/dbraw/zinc/65/67/74/1068656774.db2.gz KTMCJCGFTUHXME-WMZHIEFXSA-N 1 1 457.709 4.524 20 0 JJADMO CC(C)c1ccc([C@@H](CNC(=O)[C@H](C)N2CCSCC2)[N@H+]2CCc3sccc3C2)cc1 ZINC001464206515 1068656783 /nfs/dbraw/zinc/65/67/83/1068656783.db2.gz KTMCJCGFTUHXME-WMZHIEFXSA-N 1 1 457.709 4.524 20 0 JJADMO CC(C)c1ccc([C@@H](CNC(=O)[C@@H](C)NC(=O)C(C)(C)C)[N@@H+]2CCc3sccc3C2)cc1 ZINC001464206570 1068657357 /nfs/dbraw/zinc/65/73/57/1068657357.db2.gz LFJYYTNTLIIJIE-XMSQKQJNSA-N 1 1 455.668 4.638 20 0 JJADMO CC(C)c1ccc([C@@H](CNC(=O)[C@@H](C)NC(=O)C(C)(C)C)[N@H+]2CCc3sccc3C2)cc1 ZINC001464206570 1068657362 /nfs/dbraw/zinc/65/73/62/1068657362.db2.gz LFJYYTNTLIIJIE-XMSQKQJNSA-N 1 1 455.668 4.638 20 0 JJADMO CC(C)[C@@H](C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)[C@H](C)NC(=O)OC(C)(C)C ZINC001464211708 1068659957 /nfs/dbraw/zinc/65/99/57/1068659957.db2.gz ODGXKCCWVGUMLI-SEDAZVQISA-N 1 1 459.675 4.966 20 0 JJADMO CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC001464258135 1068678484 /nfs/dbraw/zinc/67/84/84/1068678484.db2.gz SPTKAIDGXNZUQI-NOZRDPDXSA-N 1 1 457.014 4.918 20 0 JJADMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(OCC2CCCCC2)cc1 ZINC001464278021 1068686903 /nfs/dbraw/zinc/68/69/03/1068686903.db2.gz WVYZQBBKVHPYBH-HFZDXXHNSA-N 1 1 456.652 4.835 20 0 JJADMO Cc1nc(C2CCCCC2)sc1C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001464281068 1068689403 /nfs/dbraw/zinc/68/94/03/1068689403.db2.gz KRJMVEZWOJYIFA-UHFFFAOYSA-N 1 1 454.684 4.827 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](Cc2cccc(Br)c2)CC(C)C)cn1 ZINC001464342906 1068713466 /nfs/dbraw/zinc/71/34/66/1068713466.db2.gz NCIBJPCQVQNMIV-HXUWFJFHSA-N 1 1 455.400 4.859 20 0 JJADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1 ZINC001464397407 1068730948 /nfs/dbraw/zinc/73/09/48/1068730948.db2.gz HSNHDLXDDAAUGN-UHFFFAOYSA-N 1 1 453.518 4.571 20 0 JJADMO C[N@@H+](Cc1ccccc1CNC(=O)c1cc(N2CCNC2=O)ccc1Cl)C1CCCCC1 ZINC001464402749 1068733615 /nfs/dbraw/zinc/73/36/15/1068733615.db2.gz OQDNSJWSHDNCHY-UHFFFAOYSA-N 1 1 455.002 4.564 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001464410865 1068736836 /nfs/dbraw/zinc/73/68/36/1068736836.db2.gz CFBQUMLNZKETTB-ISJGIBHGSA-N 1 1 471.686 4.886 20 0 JJADMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 ZINC001464452631 1068751376 /nfs/dbraw/zinc/75/13/76/1068751376.db2.gz XTIDKYOVMPXORJ-MSOLQXFVSA-N 1 1 459.516 4.532 20 0 JJADMO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001464472767 1068759440 /nfs/dbraw/zinc/75/94/40/1068759440.db2.gz OLUJNFLBVKUYSP-AZUAARDMSA-N 1 1 455.027 4.878 20 0 JJADMO COc1ccc2sc(C(=O)NCCC[NH+]3CCN(c4ccccc4Cl)CC3)c(C)c2c1 ZINC001464479425 1068760896 /nfs/dbraw/zinc/76/08/96/1068760896.db2.gz UQEYHNNSKFTSFC-UHFFFAOYSA-N 1 1 458.027 4.814 20 0 JJADMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C[C@H](C)O1 ZINC001464503423 1068767645 /nfs/dbraw/zinc/76/76/45/1068767645.db2.gz NRCDCPGKBHEONB-IXDOHACOSA-N 1 1 452.473 4.559 20 0 JJADMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C[C@H](C)O1 ZINC001464503423 1068767658 /nfs/dbraw/zinc/76/76/58/1068767658.db2.gz NRCDCPGKBHEONB-IXDOHACOSA-N 1 1 452.473 4.559 20 0 JJADMO CN(Cc1ccn(-c2ccccc2)n1)C(=O)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001464641310 1068808835 /nfs/dbraw/zinc/80/88/35/1068808835.db2.gz YWFVCAYUIDSGLN-HHHXNRCGSA-N 1 1 456.565 4.871 20 0 JJADMO O=C(c1cnccn1)N1CCC[C@@]2(CC[N@@H+](Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)C1 ZINC000003956315 562930886 /nfs/dbraw/zinc/93/08/86/562930886.db2.gz KMXKFKJVHNBQET-FQEVSTJZSA-N 1 1 472.433 4.643 20 0 JJADMO O=C(c1cnccn1)N1CCC[C@@]2(CC[N@H+](Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)C1 ZINC000003956315 562930888 /nfs/dbraw/zinc/93/08/88/562930888.db2.gz KMXKFKJVHNBQET-FQEVSTJZSA-N 1 1 472.433 4.643 20 0 JJADMO FC1(F)CO[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5cccs5)c43)C[C@H]21 ZINC001164426311 718929814 /nfs/dbraw/zinc/92/98/14/718929814.db2.gz ZNYYWCVEFIIOJB-HZPDHXFCSA-N 1 1 462.591 4.876 20 0 JJADMO CCOC(=O)[C@@]12C[C@@H]1CCN2c1nc(C[NH+]2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001164619617 719041402 /nfs/dbraw/zinc/04/14/02/719041402.db2.gz CYRCVEBGXKEOCW-AFMDSPMNSA-N 1 1 462.619 4.876 20 0 JJADMO Clc1nc2c(ncn2Cc2ccccc2)c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164618491 719067941 /nfs/dbraw/zinc/06/79/41/719067941.db2.gz AXKZUKFFYKBCPN-FCHUYYIVSA-N 1 1 458.997 4.629 20 0 JJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)CC2 ZINC001164650956 719315470 /nfs/dbraw/zinc/31/54/70/719315470.db2.gz GBEMAUHBGZNIGL-UHFFFAOYSA-N 1 1 460.960 4.744 20 0 JJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cnc(Cl)nc1Oc1cccc(Cl)c1)CC2 ZINC001164654509 719317319 /nfs/dbraw/zinc/31/73/19/719317319.db2.gz QKLOAKMRIPBQGE-UHFFFAOYSA-N 1 1 461.397 4.977 20 0 JJADMO CCc1ccccc1Oc1nc(Cl)ncc1N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001164654164 719317439 /nfs/dbraw/zinc/31/74/39/719317439.db2.gz PMEIBFHZLNIVOJ-UHFFFAOYSA-N 1 1 455.006 4.886 20 0 JJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cnc(Cl)nc1Oc1ccc(Cl)cc1)CC2 ZINC001164655443 719317533 /nfs/dbraw/zinc/31/75/33/719317533.db2.gz XFFAFUVVNZRPIB-UHFFFAOYSA-N 1 1 461.397 4.977 20 0 JJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)CC2 ZINC001164650881 719317924 /nfs/dbraw/zinc/31/79/24/719317924.db2.gz FDTUHUYWXPNDAA-UHFFFAOYSA-N 1 1 478.950 4.883 20 0 JJADMO CCOC[C@H]1CN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)Cc2nn(CC3CC3)cc21 ZINC001164664786 719363615 /nfs/dbraw/zinc/36/36/15/719363615.db2.gz RMYOLERIRCIGRY-HXUWFJFHSA-N 1 1 480.682 4.651 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCC(=O)N3Cc3csc(C)n3)CC2)nc1 ZINC001164683529 719594849 /nfs/dbraw/zinc/59/48/49/719594849.db2.gz GIVVUUFFECZESB-HSZRJFAPSA-N 1 1 467.683 4.945 20 0 JJADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1ccccc1-c1nc(Cl)c3ccccc3n1)CC2 ZINC001164691365 719755653 /nfs/dbraw/zinc/75/56/53/719755653.db2.gz NUPMECINDWDPIV-UHFFFAOYSA-N 1 1 499.993 4.676 20 0 JJADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164693919 719807380 /nfs/dbraw/zinc/80/73/80/719807380.db2.gz SFMUPSVBOXJDEO-UHFFFAOYSA-N 1 1 483.663 4.782 20 0 JJADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2nc(-c4ccc(Cl)nc4)no2)CC3)cs1 ZINC001164691566 719815742 /nfs/dbraw/zinc/81/57/42/719815742.db2.gz HKOXBEHTOBOXCT-UHFFFAOYSA-N 1 1 480.972 4.730 20 0 JJADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2nc(-c4ccc(Cl)nc4)no2)CC3)cs1 ZINC001164691566 719815743 /nfs/dbraw/zinc/81/57/43/719815743.db2.gz HKOXBEHTOBOXCT-UHFFFAOYSA-N 1 1 480.972 4.730 20 0 JJADMO Clc1cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc(Cc2ccccc2)n1 ZINC001164694991 719890882 /nfs/dbraw/zinc/89/08/82/719890882.db2.gz IWNCLQLJINYJAU-UHFFFAOYSA-N 1 1 455.027 4.654 20 0 JJADMO c1csc(C[N@H+]2CCOC3(CCN(c4nc(-c5ccccn5)nc5ccccc54)CC3)C2)c1 ZINC001164696182 719897608 /nfs/dbraw/zinc/89/76/08/719897608.db2.gz ASPXVFPGADEMQK-UHFFFAOYSA-N 1 1 457.603 4.625 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C2 ZINC001164809307 720088267 /nfs/dbraw/zinc/08/82/67/720088267.db2.gz JHRVBOTZZHOIIN-YCRPNKLZSA-N 1 1 471.379 4.666 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3cc(Cl)c(Cl)cc3nc1Cl)C2 ZINC001164806389 720093704 /nfs/dbraw/zinc/09/37/04/720093704.db2.gz BXGRBSNUPCQDRA-LHSJRXKWSA-N 1 1 455.817 4.775 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3c(OC)cccc13)CC2 ZINC001164709749 720094259 /nfs/dbraw/zinc/09/42/59/720094259.db2.gz CSSWHSKISBKPJB-HXUWFJFHSA-N 1 1 467.013 4.799 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc(Cl)c3ccccc3n1)CC2 ZINC001164710232 720097754 /nfs/dbraw/zinc/09/77/54/720097754.db2.gz HNNFSKSXBJPSML-LJQANCHMSA-N 1 1 487.982 4.731 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc3ccsc3c(Cl)n1)CC2 ZINC001164712070 720104385 /nfs/dbraw/zinc/10/43/85/720104385.db2.gz UZGQSSUWEXPWCA-KRWDZBQOSA-N 1 1 494.011 4.792 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cnc(-c3ccccc3)c(-c3ccccc3)n1)C2 ZINC001164811147 720110490 /nfs/dbraw/zinc/11/04/90/720110490.db2.gz LTRAUUMGGJNBHA-SVEHJYQDSA-N 1 1 454.618 4.995 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(Cl)c(Cl)n1)CC2 ZINC001164719092 720117313 /nfs/dbraw/zinc/11/73/13/720117313.db2.gz VWIOKJRYPNXMPH-KRWDZBQOSA-N 1 1 471.379 4.836 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)CC2 ZINC001164718989 720118782 /nfs/dbraw/zinc/11/87/82/720118782.db2.gz UOURPRCWGXWTCB-GOSISDBHSA-N 1 1 475.971 4.664 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3cc(C)c(C)cc3nc1Cl)CC2 ZINC001164719074 720126306 /nfs/dbraw/zinc/12/63/06/720126306.db2.gz VJAHQNFHEAPWMD-NRFANRHFSA-N 1 1 466.029 4.803 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc3cc(OCc4ccccc4)ccc3n1)C2 ZINC001164810491 720131274 /nfs/dbraw/zinc/13/12/74/720131274.db2.gz JXOMPBQKIMIDSJ-IRPSRAIASA-N 1 1 457.618 4.999 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc3cc(OCc4ccccc4)ccc3n1)C2 ZINC001164810489 720132562 /nfs/dbraw/zinc/13/25/62/720132562.db2.gz JXOMPBQKIMIDSJ-ABYGYWHVSA-N 1 1 457.618 4.999 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cncc(Sc3cccc(C)c3)n1)CC2 ZINC001164713976 720135324 /nfs/dbraw/zinc/13/53/24/720135324.db2.gz UPRSKXMYNRNMRR-QHCPKHFHSA-N 1 1 475.662 4.839 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1ccn3C(C)C)CC2 ZINC001164710375 720136945 /nfs/dbraw/zinc/13/69/45/720136945.db2.gz ABQYMYRMLHIJBK-HXUWFJFHSA-N 1 1 469.033 4.568 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)C2 ZINC001164808226 720138341 /nfs/dbraw/zinc/13/83/41/720138341.db2.gz FAMNTRXKZNJBGR-CVDCTZTESA-N 1 1 462.972 4.527 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C(C)(C)C)nc(C(C)(C)C)n1)CC2 ZINC001164711761 720139311 /nfs/dbraw/zinc/13/93/11/720139311.db2.gz JUYQEQLRPFSJEL-QFIPXVFZSA-N 1 1 465.686 4.974 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1c(OC)ccc3c(Cl)cc(Cl)nc31)C2 ZINC001164810434 720139490 /nfs/dbraw/zinc/13/94/90/720139490.db2.gz JRPNRIXAIREPKM-MWTRTKDXSA-N 1 1 450.410 4.735 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C(C)(C)C)nc(Cl)c1C)CC2 ZINC001164713544 720141247 /nfs/dbraw/zinc/14/12/47/720141247.db2.gz RUDZPTLPYCBTPX-HXUWFJFHSA-N 1 1 458.050 4.638 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C(C)(C)C)nc(Cl)c1C)CC2 ZINC001164713543 720141429 /nfs/dbraw/zinc/14/14/29/720141429.db2.gz RUDZPTLPYCBTPX-FQEVSTJZSA-N 1 1 458.050 4.638 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(-c3cccc(Cl)c3)ncn1)CC2 ZINC001164710405 720144811 /nfs/dbraw/zinc/14/48/11/720144811.db2.gz AXKGGTDXZHOPHX-QHCPKHFHSA-N 1 1 464.013 4.700 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(Cl)nc1-c1ccccc1)CC2 ZINC001164711103 720146706 /nfs/dbraw/zinc/14/67/06/720146706.db2.gz FJSKZHKATHMJPH-JOCHJYFZSA-N 1 1 464.013 4.700 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(-c3ccccn3)nc3sccc31)CC2 ZINC001164710386 720151997 /nfs/dbraw/zinc/15/19/97/720151997.db2.gz ANMZOEDAWLHVQL-NRFANRHFSA-N 1 1 486.645 4.656 20 0 JJADMO CC[C@H](C)c1nc(Cl)c(C)c(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164713089 720152738 /nfs/dbraw/zinc/15/27/38/720152738.db2.gz QOFZNHVUEHLIAW-RXVVDRJESA-N 1 1 458.050 4.854 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(CC(C)C)nc(Cl)c1C)CC2 ZINC001164710794 720153718 /nfs/dbraw/zinc/15/37/18/720153718.db2.gz CSPRODRJPZKWHB-NRFANRHFSA-N 1 1 458.050 4.539 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1c(Cl)nc(Cl)nc1C1CC1)CC2 ZINC001164711262 720156622 /nfs/dbraw/zinc/15/66/22/720156622.db2.gz ALRKRQUVUYHIPT-GOSISDBHSA-N 1 1 462.425 4.563 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3scc(-c4ccc(OC)cc4)c31)C2 ZINC001164812990 720164352 /nfs/dbraw/zinc/16/43/52/720164352.db2.gz BHMLOHPFCXRDAA-FQRUVTKNSA-N 1 1 464.635 4.552 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3scc(-c4ccc(OC)cc4)c31)C2 ZINC001164812992 720165043 /nfs/dbraw/zinc/16/50/43/720165043.db2.gz BHMLOHPFCXRDAA-RXFWQSSRSA-N 1 1 464.635 4.552 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)C2 ZINC001164817748 720172409 /nfs/dbraw/zinc/17/24/09/720172409.db2.gz QEAIQFYCTADJFH-IERDGZPVSA-N 1 1 469.001 4.588 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccccc1Cl)C2 ZINC001164810308 720198300 /nfs/dbraw/zinc/19/83/00/720198300.db2.gz BVSHKPYSXOQUCR-HXOBKFHXSA-N 1 1 463.409 4.760 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)C2 ZINC001164815180 720203162 /nfs/dbraw/zinc/20/31/62/720203162.db2.gz WUWBSXSAJIBRHQ-FDDCHVKYSA-N 1 1 480.962 4.666 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3ccccc3OC)nnc1Cl)C2 ZINC001164814621 720203688 /nfs/dbraw/zinc/20/36/88/720203688.db2.gz VLJSKRQWZNGKHM-MHECFPHRSA-N 1 1 492.998 4.535 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3cccc(OC)c3)nnc1Cl)C2 ZINC001164815438 720204122 /nfs/dbraw/zinc/20/41/22/720204122.db2.gz ZGBUOYOLLFAZMG-NTKDMRAZSA-N 1 1 492.998 4.535 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)C2 ZINC001164811715 720205357 /nfs/dbraw/zinc/20/53/57/720205357.db2.gz JVQLBBOWCGMFLR-MBSDFSHPSA-N 1 1 480.962 4.666 20 0 JJADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cnc(Cl)c(-c3cccs3)c1)CCC2 ZINC001164817056 720248658 /nfs/dbraw/zinc/24/86/58/720248658.db2.gz OPTZOHLQPWFNJO-UHFFFAOYSA-N 1 1 494.011 4.816 20 0 JJADMO Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CC[C@H](C)C5)O2)n1 ZINC001164830974 720408712 /nfs/dbraw/zinc/40/87/12/720408712.db2.gz SVHFSYIPWLVDBU-LDTOTXGLSA-N 1 1 494.665 4.602 20 0 JJADMO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)cc1 ZINC001164735965 720422769 /nfs/dbraw/zinc/42/27/69/720422769.db2.gz ZZEKWYWRSCXFPW-VXKWHMMOSA-N 1 1 498.961 4.982 20 0 JJADMO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001164735965 720422776 /nfs/dbraw/zinc/42/27/76/720422776.db2.gz ZZEKWYWRSCXFPW-VXKWHMMOSA-N 1 1 498.961 4.982 20 0 JJADMO CSCc1nc2sc3c(c2c(N2CC[C@@H]4[C@H]2CC[N@H+]4Cc2cccnc2)n1)CCCC3 ZINC001164734816 720440829 /nfs/dbraw/zinc/44/08/29/720440829.db2.gz UWDROGNGWYYASM-RTBURBONSA-N 1 1 451.665 4.681 20 0 JJADMO COCc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164735950 720459270 /nfs/dbraw/zinc/45/92/70/720459270.db2.gz ZTZXVCDRDUOJOL-YADHBBJMSA-N 1 1 457.603 4.753 20 0 JJADMO COCc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164735948 720460568 /nfs/dbraw/zinc/46/05/68/720460568.db2.gz ZTZXVCDRDUOJOL-FGZHOGPDSA-N 1 1 457.603 4.753 20 0 JJADMO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164735093 720464439 /nfs/dbraw/zinc/46/44/39/720464439.db2.gz VYEUMVXRBBRGKS-DHIUTWEWSA-N 1 1 470.646 4.668 20 0 JJADMO Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164726393 720484642 /nfs/dbraw/zinc/48/46/42/720484642.db2.gz LUUGHQBYEQDOPV-VXKWHMMOSA-N 1 1 455.940 4.899 20 0 JJADMO Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164726393 720484645 /nfs/dbraw/zinc/48/46/45/720484645.db2.gz LUUGHQBYEQDOPV-VXKWHMMOSA-N 1 1 455.940 4.899 20 0 JJADMO COc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164727528 720485010 /nfs/dbraw/zinc/48/50/10/720485010.db2.gz NIXZLEGETJOLTG-FCHUYYIVSA-N 1 1 471.939 4.599 20 0 JJADMO COc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164727528 720485012 /nfs/dbraw/zinc/48/50/12/720485012.db2.gz NIXZLEGETJOLTG-FCHUYYIVSA-N 1 1 471.939 4.599 20 0 JJADMO Fc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164723560 720485425 /nfs/dbraw/zinc/48/54/25/720485425.db2.gz CLTWQAZFYUYSBT-NHCUHLMSSA-N 1 1 459.903 4.729 20 0 JJADMO Fc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164723560 720485426 /nfs/dbraw/zinc/48/54/26/720485426.db2.gz CLTWQAZFYUYSBT-NHCUHLMSSA-N 1 1 459.903 4.729 20 0 JJADMO COc1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c(Cl)nn1 ZINC001164729550 720485608 /nfs/dbraw/zinc/48/56/08/720485608.db2.gz RNWKSHKUCHJZFE-NHCUHLMSSA-N 1 1 471.939 4.599 20 0 JJADMO COc1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c(Cl)nn1 ZINC001164729550 720485626 /nfs/dbraw/zinc/48/56/26/720485626.db2.gz RNWKSHKUCHJZFE-NHCUHLMSSA-N 1 1 471.939 4.599 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833273 720520693 /nfs/dbraw/zinc/52/06/93/720520693.db2.gz CPBYNKUZGCEFKV-JTDSTZFVSA-N 1 1 478.950 4.542 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nnc(Cc4ccccc4)c4ccccc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164844113 720597319 /nfs/dbraw/zinc/59/73/19/720597319.db2.gz YSMOSXOULCVUTR-IBGGVINMSA-N 1 1 466.633 4.795 20 0 JJADMO COc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@@H](C[C@@H](Cn6cccn6)[N@H+]5C(C)C)C4)c23)cc1 ZINC001164843512 720600610 /nfs/dbraw/zinc/60/06/10/720600610.db2.gz XOKKSTZAZCMTQT-AWRGLXIESA-N 1 1 488.661 4.941 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839211 720604078 /nfs/dbraw/zinc/60/40/78/720604078.db2.gz MFIBBNQCZLSFJU-FUPPJEDESA-N 1 1 499.688 4.816 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(C(=O)Nc4cccc(Cl)c4)cn3)CC[C@@H]21 ZINC001164839261 720604177 /nfs/dbraw/zinc/60/41/77/720604177.db2.gz MYRAXUQKLLAXNR-QDSKXPNFSA-N 1 1 479.028 4.562 20 0 JJADMO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164840257 720605179 /nfs/dbraw/zinc/60/51/79/720605179.db2.gz POQBGAIMDIIBHP-KKUQBAQOSA-N 1 1 483.664 4.671 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cnc(Cl)nc3Oc3ccc(F)cc3)CC[C@@H]21 ZINC001164835977 720609147 /nfs/dbraw/zinc/60/91/47/720609147.db2.gz DGVPEXIMAQAJBD-LMNJBCLMSA-N 1 1 470.980 4.636 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cnc(Cl)nc3Oc3ccc(F)cc3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835976 720609861 /nfs/dbraw/zinc/60/98/61/720609861.db2.gz DGVPEXIMAQAJBD-HFSMHLIXSA-N 1 1 470.980 4.636 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836166 720611281 /nfs/dbraw/zinc/61/12/81/720611281.db2.gz DYXOIFQPAYWQHJ-UNWVZKJWSA-N 1 1 486.998 4.916 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835166 720623102 /nfs/dbraw/zinc/62/31/02/720623102.db2.gz AFIDTIZHCIXJQH-UNWVZKJWSA-N 1 1 486.998 4.916 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(-c4ccc(N5CCCCC5)cc4)nn3)CC[C@@H]21 ZINC001164836796 720629973 /nfs/dbraw/zinc/62/99/73/720629973.db2.gz GXKVXQZOTXZAPM-XDIPAPSNSA-N 1 1 485.680 4.708 20 0 JJADMO COc1cc(C(F)(F)N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cc(Cl)n1 ZINC001164844227 720666345 /nfs/dbraw/zinc/66/63/45/720666345.db2.gz YUFOFFMHQCTWCZ-LJQANCHMSA-N 1 1 451.945 4.548 20 0 JJADMO CCOC(=O)c1cnc(Cl)c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1Cl ZINC001164838320 720675230 /nfs/dbraw/zinc/67/52/30/720675230.db2.gz HDTLIZKJZFBZIW-GOSISDBHSA-N 1 1 478.420 4.825 20 0 JJADMO COc1cc2nc(Cl)nc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2cc1OC ZINC001164845355 720680911 /nfs/dbraw/zinc/68/09/11/720680911.db2.gz YQCSTSMSBLKRKS-LJQANCHMSA-N 1 1 483.012 4.560 20 0 JJADMO Clc1nc(-c2ccccc2)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1-c1ccccc1 ZINC001164742583 720692620 /nfs/dbraw/zinc/69/26/20/720692620.db2.gz VUJGFMLUNJLSOZ-FGZHOGPDSA-N 1 1 484.991 4.596 20 0 JJADMO Clc1nc(-c2ccccc2)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1-c1ccccc1 ZINC001164742585 720693406 /nfs/dbraw/zinc/69/34/06/720693406.db2.gz VUJGFMLUNJLSOZ-YADHBBJMSA-N 1 1 484.991 4.596 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)ncc1OCc1ccccc1)CC2 ZINC001164841920 720693655 /nfs/dbraw/zinc/69/36/55/720693655.db2.gz KEOJKPCFEADPMP-HSZRJFAPSA-N 1 1 479.024 4.969 20 0 JJADMO CCOC(=O)c1ccc(C(F)(F)N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)n1 ZINC001164840919 720708935 /nfs/dbraw/zinc/70/89/35/720708935.db2.gz SOMVYQIIQQTIKU-LJQANCHMSA-N 1 1 493.982 4.717 20 0 JJADMO CC[C@@H]1N(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)CCC[C@@]12CCC(=O)N2 ZINC001164846858 720755494 /nfs/dbraw/zinc/75/54/94/720755494.db2.gz KHBJKRMVUPVDSE-RXFWQSSRSA-N 1 1 467.683 4.584 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@@H]2CCC(=O)N3c2ccccc2)n1 ZINC001164843727 720766144 /nfs/dbraw/zinc/76/61/44/720766144.db2.gz AKMHRVSGMZKZFI-SFTDATJTSA-N 1 1 463.651 4.924 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]4[C@H]3CCC(=O)N4c3ccccc3)c2c1C ZINC001164848555 720766353 /nfs/dbraw/zinc/76/63/53/720766353.db2.gz PWRQMPXEJONPHE-RTWAWAEBSA-N 1 1 461.635 4.678 20 0 JJADMO Cc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@@H](C[C@@H](Cn6cncn6)[N@H+]5CC5CC5)C4)c23)cc1 ZINC001164742878 720824109 /nfs/dbraw/zinc/82/41/09/720824109.db2.gz RBZJTFCWGZCXQZ-WPFOTENUSA-N 1 1 485.661 4.638 20 0 JJADMO Cc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@@H](C[C@H](Cn6cncn6)[N@H+]5CC5CC5)C4)c23)cc1 ZINC001164742876 720824120 /nfs/dbraw/zinc/82/41/20/720824120.db2.gz RBZJTFCWGZCXQZ-WMTXJRDZSA-N 1 1 485.661 4.638 20 0 JJADMO Cc1nc2scc(-c3cccs3)c2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164744600 720847918 /nfs/dbraw/zinc/84/79/18/720847918.db2.gz KVBNGQOKNQTWGT-IRFCIJBXSA-N 1 1 491.690 4.699 20 0 JJADMO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)s1 ZINC001164740566 720850924 /nfs/dbraw/zinc/85/09/24/720850924.db2.gz CTOJXHHKDSTBHH-YZUZCNPQSA-N 1 1 485.661 4.638 20 0 JJADMO c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(-c5ccc(-c6ccccc6)cc5)nn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164752612 720852302 /nfs/dbraw/zinc/85/23/02/720852302.db2.gz SZEDINHPHQHKGD-HPUNYJORSA-N 1 1 491.643 4.782 20 0 JJADMO CC(C)c1cc2c(ncnc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)s1 ZINC001164754367 720868846 /nfs/dbraw/zinc/86/88/46/720868846.db2.gz RMKLMEOOXBIARB-AMGIVPHBSA-N 1 1 477.678 4.965 20 0 JJADMO COc1ccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c(C)cc2c1 ZINC001164754904 720869630 /nfs/dbraw/zinc/86/96/30/720869630.db2.gz UMUYZZUZKYUCQF-ABYGYWHVSA-N 1 1 472.633 4.702 20 0 JJADMO COc1ccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c(C)cc2c1 ZINC001164754916 720869934 /nfs/dbraw/zinc/86/99/34/720869934.db2.gz UMUYZZUZKYUCQF-VAVYLYDRSA-N 1 1 472.633 4.702 20 0 JJADMO Clc1ccc(-c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)cc1 ZINC001164749004 720875459 /nfs/dbraw/zinc/87/54/59/720875459.db2.gz GCICKAOIXVYLNW-RBJSKKJNSA-N 1 1 490.051 4.947 20 0 JJADMO Fc1cc2nc(Cl)c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2cc1F ZINC001164757822 720884968 /nfs/dbraw/zinc/88/49/68/720884968.db2.gz VTSRABNHPMKMGM-BCHFMIIMSA-N 1 1 499.993 4.712 20 0 JJADMO Cc1sc2nc(C)nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1C ZINC001164750601 720888288 /nfs/dbraw/zinc/88/82/88/720888288.db2.gz BKIDDVRHBKPYBB-KCWPFWIISA-N 1 1 477.678 4.767 20 0 JJADMO COc1ccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)cc(C)c2c1 ZINC001164757178 720890506 /nfs/dbraw/zinc/89/05/06/720890506.db2.gz UCLRIZVQUXRIMI-PWUYWRBVSA-N 1 1 472.633 4.702 20 0 JJADMO Clc1cccc(-c2cccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)n1 ZINC001164749856 720890553 /nfs/dbraw/zinc/89/05/53/720890553.db2.gz ASXZXZNKQRHKQZ-NEKDWFFYSA-N 1 1 490.051 4.947 20 0 JJADMO Cc1ccc(C(F)(F)N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1Cl ZINC001164755024 720892290 /nfs/dbraw/zinc/89/22/90/720892290.db2.gz KJOGDUGLVIAXCI-QPPBQGQZSA-N 1 1 476.999 4.738 20 0 JJADMO c1cn(C2CCCC2)c2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164757444 720893275 /nfs/dbraw/zinc/89/32/75/720893275.db2.gz USUYSICRRVVRTL-GIGWZHCTSA-N 1 1 486.664 4.697 20 0 JJADMO CSc1nc2ccccc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755422 720893969 /nfs/dbraw/zinc/89/39/69/720893969.db2.gz MADBKXIFEYAJRS-WXVAWEFUSA-N 1 1 475.662 4.502 20 0 JJADMO CSc1ccnc(Cl)c1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757814 720896436 /nfs/dbraw/zinc/89/64/36/720896436.db2.gz VSVHVPASZHKSSM-HYBUGGRVSA-N 1 1 459.059 4.607 20 0 JJADMO CSc1ccnc(Cl)c1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757812 720896711 /nfs/dbraw/zinc/89/67/11/720896711.db2.gz VSVHVPASZHKSSM-GBXCKJPGSA-N 1 1 459.059 4.607 20 0 JJADMO Cc1nc2c3ccccc3oc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753443 720897165 /nfs/dbraw/zinc/89/71/65/720897165.db2.gz GVSHKLPTBIRZNV-BTYSJIOQSA-N 1 1 483.616 4.835 20 0 JJADMO Fc1cccc(Oc2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)c1 ZINC001164754004 720901557 /nfs/dbraw/zinc/90/15/57/720901557.db2.gz IDEITSKRSWUCHZ-FIPFOOKPSA-N 1 1 489.595 4.558 20 0 JJADMO Fc1cccc(Oc2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)c1 ZINC001164754006 720902357 /nfs/dbraw/zinc/90/23/57/720902357.db2.gz IDEITSKRSWUCHZ-LXFBAYGMSA-N 1 1 489.595 4.558 20 0 JJADMO Cc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)cc1Cl ZINC001164756248 720903377 /nfs/dbraw/zinc/90/33/77/720903377.db2.gz OTISDQBXQCRAOO-HYBUGGRVSA-N 1 1 461.437 4.847 20 0 JJADMO Cc1nc(C2CCCCC2)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753198 720904913 /nfs/dbraw/zinc/90/49/13/720904913.db2.gz QUIWQLMOZAQXMI-WNJJXGMVSA-N 1 1 475.681 4.983 20 0 JJADMO CC(C)(C)OC(=O)Nc1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164754615 720907422 /nfs/dbraw/zinc/90/74/22/720907422.db2.gz WFRYGRXVSFLBGU-NEKDWFFYSA-N 1 1 493.652 4.579 20 0 JJADMO Cc1cccc(-c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)c1 ZINC001164750829 720911631 /nfs/dbraw/zinc/91/16/31/720911631.db2.gz KRGKFKSEEIFLBS-LITSAYRRSA-N 1 1 469.633 4.602 20 0 JJADMO Cc1cccc(-c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)c1 ZINC001164750831 720912669 /nfs/dbraw/zinc/91/26/69/720912669.db2.gz KRGKFKSEEIFLBS-UHSQPCAPSA-N 1 1 469.633 4.602 20 0 JJADMO c1ccc2c(c1)cc(N1CCCC1)nc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164748523 720916408 /nfs/dbraw/zinc/91/64/08/720916408.db2.gz GRJPDGUQLOEWSS-DLFZDVPBSA-N 1 1 497.687 4.985 20 0 JJADMO c1ccc2c(c1)cc(N1CCCC1)nc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164748523 720916417 /nfs/dbraw/zinc/91/64/17/720916417.db2.gz GRJPDGUQLOEWSS-DLFZDVPBSA-N 1 1 497.687 4.985 20 0 JJADMO Clc1cccc(-c2cc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncn2)c1 ZINC001164746492 720916865 /nfs/dbraw/zinc/91/68/65/720916865.db2.gz AYSUBMWCHBNGFT-YWEHKCAJSA-N 1 1 490.051 4.947 20 0 JJADMO Fc1cc2ncc(Cl)nc2cc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747979 720919336 /nfs/dbraw/zinc/91/93/36/720919336.db2.gz FADJMVVVHUDXKT-RXFWQSSRSA-N 1 1 482.003 4.572 20 0 JJADMO Fc1cc2ncc(Cl)nc2cc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747970 720919706 /nfs/dbraw/zinc/91/97/06/720919706.db2.gz FADJMVVVHUDXKT-FQRUVTKNSA-N 1 1 482.003 4.572 20 0 JJADMO Cc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(-c2ccsc2)n1 ZINC001164750158 720920583 /nfs/dbraw/zinc/92/05/83/720920583.db2.gz JMWZPVBJDLIBAN-SHQCIBLASA-N 1 1 475.662 4.664 20 0 JJADMO CCc1ccc(-c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)cc1 ZINC001164747867 720920734 /nfs/dbraw/zinc/92/07/34/720920734.db2.gz DPHSJAISICEFML-BHBYDHKZSA-N 1 1 483.660 4.856 20 0 JJADMO Clc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(-c2ccccc2)n1 ZINC001164748087 720921925 /nfs/dbraw/zinc/92/19/25/720921925.db2.gz FUUCLUPMTJEEDV-UFHPHHKVSA-N 1 1 490.051 4.947 20 0 JJADMO CCOc1ccc(-c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)cc1 ZINC001164753774 720923880 /nfs/dbraw/zinc/92/38/80/720923880.db2.gz SUGWXDSEHOTVIE-YZNIXAGQSA-N 1 1 499.659 4.692 20 0 JJADMO Fc1ccc2c(Cl)nnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164748043 720924682 /nfs/dbraw/zinc/92/46/82/720924682.db2.gz FJLNYDCHDZUAKS-FNZWTVRRSA-N 1 1 482.003 4.572 20 0 JJADMO COc1cc2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2cc1F ZINC001164749089 720934707 /nfs/dbraw/zinc/93/47/07/720934707.db2.gz HROGDUJBBKXPJQ-NEKDWFFYSA-N 1 1 476.596 4.533 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(C(=O)Nc3cccc(Cl)c3)cn1)[C@@H]2C ZINC001164860696 721003578 /nfs/dbraw/zinc/00/35/78/721003578.db2.gz PNFZHZKWCXATBD-QGZVFWFLSA-N 1 1 452.990 4.605 20 0 JJADMO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164859681 721003744 /nfs/dbraw/zinc/00/37/44/721003744.db2.gz LFEXYEDUDFNPNM-SFHVURJKSA-N 1 1 469.703 4.768 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(-c3ccco3)nnc1Cl)[C@H]2C ZINC001164861224 721004555 /nfs/dbraw/zinc/00/45/55/721004555.db2.gz PUPPMKVUXLPMAP-AWEZNQCLSA-N 1 1 450.921 4.553 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(-c3ccc(N4CCCCC4)cc3)nn1)[C@@H]2C ZINC001164856422 721013255 /nfs/dbraw/zinc/01/32/55/721013255.db2.gz AEGWBZBVJJJZSV-OAQYLSRUSA-N 1 1 459.642 4.752 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccccn3)c(-c3ccccn3)nc1Cl)[C@H]2C ZINC001164864830 721020616 /nfs/dbraw/zinc/02/06/16/721020616.db2.gz ZUVGBAHWUCOAFY-SFHVURJKSA-N 1 1 489.027 4.872 20 0 JJADMO COc1ccccc1-c1cc(C(F)(F)N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c(Cl)nn1 ZINC001164858073 721022613 /nfs/dbraw/zinc/02/26/13/721022613.db2.gz FUERKONETWODGR-INIZCTEOSA-N 1 1 490.986 4.968 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3c(nnn3CC)[C@@H]2COCc2ccccc2)nc1 ZINC001164771574 721049131 /nfs/dbraw/zinc/04/91/31/721049131.db2.gz MVQSJFKHRRZHCM-RSXGOPAZSA-N 1 1 474.653 4.951 20 0 JJADMO CCn1nnc2c1CCN(c1ccc([C@H]3CCCC[N@H+]3CC)cn1)[C@@H]2COCc1ccccc1 ZINC001164772935 721049496 /nfs/dbraw/zinc/04/94/96/721049496.db2.gz QUOYJLBNYAVXBS-ILBGXUMGSA-N 1 1 460.626 4.561 20 0 JJADMO FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866827 721065799 /nfs/dbraw/zinc/06/57/99/721065799.db2.gz FZWTXJYIIGOZDG-GOTSBHOMSA-N 1 1 470.951 4.822 20 0 JJADMO FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866826 721066294 /nfs/dbraw/zinc/06/62/94/721066294.db2.gz FZWTXJYIIGOZDG-DHIUTWEWSA-N 1 1 470.951 4.822 20 0 JJADMO Clc1ccc2nc(-c3ccccc3)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164864271 721104626 /nfs/dbraw/zinc/10/46/26/721104626.db2.gz FFSMXNJUXLCNIF-PKTZIBPZSA-N 1 1 471.992 4.825 20 0 JJADMO c1ccc(COc2ccc3nc(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@H]5C4)ccc3c2)cc1 ZINC001164864406 721105556 /nfs/dbraw/zinc/10/55/56/721105556.db2.gz FTTSIZMKHLEGLJ-BDYUSTAISA-N 1 1 466.585 4.689 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc(-c5ccc(-c6ccccc6)cc5)n4)C[C@H]3C2)cn1 ZINC001164772787 721134567 /nfs/dbraw/zinc/13/45/67/721134567.db2.gz WXWGCZJSDGVWNQ-DNQXCXABSA-N 1 1 486.023 4.551 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(-c5ccc(F)cc5)nc5cc(Cl)ccc54)C[C@H]3C2)cn1 ZINC001164763383 721153431 /nfs/dbraw/zinc/15/34/31/721153431.db2.gz FJEJLZFHFIZNQR-VQTJNVASSA-N 1 1 476.987 4.781 20 0 JJADMO Fc1ccccc1-c1cc(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)cnc1Cl ZINC001164881005 721168690 /nfs/dbraw/zinc/16/86/90/721168690.db2.gz YTTRMDRGJSPZHU-VQTJNVASSA-N 1 1 488.941 4.961 20 0 JJADMO FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871404 721194885 /nfs/dbraw/zinc/19/48/85/721194885.db2.gz YXLYTYLUZWOWAW-RBUKOAKNSA-N 1 1 476.980 4.883 20 0 JJADMO FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871406 721195951 /nfs/dbraw/zinc/19/59/51/721195951.db2.gz YXLYTYLUZWOWAW-RTBURBONSA-N 1 1 476.980 4.883 20 0 JJADMO FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871402 721195988 /nfs/dbraw/zinc/19/59/88/721195988.db2.gz YXLYTYLUZWOWAW-OALUTQOASA-N 1 1 476.980 4.883 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncnc5cc(-c6ccc(Cl)cc6)sc54)C[C@@H]3C2)cn1 ZINC001164767793 721200920 /nfs/dbraw/zinc/20/09/20/721200920.db2.gz KPFDTKMKWUOGAI-OALUTQOASA-N 1 1 465.026 4.704 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(-c5ccccc5)nc(-c5cccs5)n4)C[C@@H]3C2)cn1 ZINC001164764241 721215709 /nfs/dbraw/zinc/21/57/09/721215709.db2.gz GPBDANDZMMXRAY-YADHBBJMSA-N 1 1 456.619 4.564 20 0 JJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H](COC)N(C(=O)c4cccn4C)C3)CC2)nc1 ZINC001164869146 721224951 /nfs/dbraw/zinc/22/49/51/721224951.db2.gz CGETZPHOVWWIJS-DQEYMECFSA-N 1 1 493.696 4.505 20 0 JJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](COC)N(C(=O)c4cccn4C)C3)CC2)nc1 ZINC001164869154 721225440 /nfs/dbraw/zinc/22/54/40/721225440.db2.gz CGETZPHOVWWIJS-RPBOFIJWSA-N 1 1 493.696 4.505 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccccc5F)c4)C[C@H]3C2)cn1 ZINC001164764919 721225492 /nfs/dbraw/zinc/22/54/92/721225492.db2.gz HCELJHFAKCEHGK-ZWKOTPCHSA-N 1 1 475.946 4.778 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(-c5ccc(Oc6ccccc6)cc5)nn4)C[C@H]3C2)cn1 ZINC001164762565 721227887 /nfs/dbraw/zinc/22/78/87/721227887.db2.gz LFIBMMZJXMRNFL-BJKOFHAPSA-N 1 1 466.589 4.628 20 0 JJADMO O=C(NC[C@H]1CCC[C@@]2(CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C2)O1)c1ccccc1 ZINC001164874152 721255834 /nfs/dbraw/zinc/25/58/34/721255834.db2.gz JHEKYKQPTHYERN-JOMNFKBKSA-N 1 1 496.655 4.588 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CCC(=O)N3CC3CC3)CC2)n1 ZINC001164775146 721306802 /nfs/dbraw/zinc/30/68/02/721306802.db2.gz ABPAUSFWHBLEFD-UHFFFAOYSA-N 1 1 455.672 4.521 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)n1 ZINC001164879583 721314247 /nfs/dbraw/zinc/31/42/47/721314247.db2.gz NRZRTKQMWGKANG-QHAWAJNXSA-N 1 1 481.666 4.608 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4ccc(Cl)cc43)C2)C1 ZINC001164777454 721331666 /nfs/dbraw/zinc/33/16/66/721331666.db2.gz NRJRLZHREFSYEH-HSZRJFAPSA-N 1 1 476.408 4.660 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)cnc3Cl)C2)C1 ZINC001164778855 721336126 /nfs/dbraw/zinc/33/61/26/721336126.db2.gz ZIMCASDOXSVVPD-HXUWFJFHSA-N 1 1 475.367 4.657 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)cnc3Cl)C2)C1 ZINC001164778855 721336130 /nfs/dbraw/zinc/33/61/30/721336130.db2.gz ZIMCASDOXSVVPD-HXUWFJFHSA-N 1 1 475.367 4.657 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4ccc(F)cc43)C2)C1 ZINC001164777859 721343041 /nfs/dbraw/zinc/34/30/41/721343041.db2.gz JJNYUURQFQDEGB-XMMPIXPASA-N 1 1 458.965 4.751 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4ncnc(Cl)c4c3)C2)C1 ZINC001164777838 721345473 /nfs/dbraw/zinc/34/54/73/721345473.db2.gz IRIOLBOQKRHHMV-HSZRJFAPSA-N 1 1 491.970 4.552 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4ncnc(Cl)c4c3)C2)C1 ZINC001164777838 721345475 /nfs/dbraw/zinc/34/54/75/721345475.db2.gz IRIOLBOQKRHHMV-HSZRJFAPSA-N 1 1 491.970 4.552 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(F)cc4ccc(Cl)nc43)C2)C1 ZINC001164779776 721350914 /nfs/dbraw/zinc/35/09/14/721350914.db2.gz WJRMOPMZJZTHFJ-XMMPIXPASA-N 1 1 458.965 4.751 20 0 JJADMO Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3[nH+]ccc4c3ccn4Cc3ccccc3)C2)C1 ZINC001164780118 721354253 /nfs/dbraw/zinc/35/42/53/721354253.db2.gz ZUZTUMBAURDUPF-LJAQVGFWSA-N 1 1 485.632 4.808 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc4cc(C)ccc43)C2)C1 ZINC001164782246 721354874 /nfs/dbraw/zinc/35/48/74/721354874.db2.gz LODPPPRVDXXKEM-VWLOTQADSA-N 1 1 455.002 4.920 20 0 JJADMO CSc1ccc(C(F)(F)N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1Cl ZINC001164779769 721354999 /nfs/dbraw/zinc/35/49/99/721354999.db2.gz WDYNZNDABMOGCX-NRFANRHFSA-N 1 1 487.016 4.726 20 0 JJADMO CSc1ccc(C(F)(F)N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1Cl ZINC001164779769 721355003 /nfs/dbraw/zinc/35/50/03/721355003.db2.gz WDYNZNDABMOGCX-NRFANRHFSA-N 1 1 487.016 4.726 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccccc4Cl)nn3)C2)C1 ZINC001164787748 721357165 /nfs/dbraw/zinc/35/71/65/721357165.db2.gz ZTIYWYWWTPQFGT-RUZDIDTESA-N 1 1 468.001 4.521 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccccc4Cl)nn3)C2)C1 ZINC001164787748 721357169 /nfs/dbraw/zinc/35/71/69/721357169.db2.gz ZTIYWYWWTPQFGT-RUZDIDTESA-N 1 1 468.001 4.521 20 0 JJADMO O=C1C[C@@H]2[C@@H](CCN2c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)N1c1ccsc1 ZINC001164882426 721357939 /nfs/dbraw/zinc/35/79/39/721357939.db2.gz JEESLMGTYZBFMX-RTBURBONSA-N 1 1 479.675 4.612 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)n1 ZINC001164885282 721358425 /nfs/dbraw/zinc/35/84/25/721358425.db2.gz XRJRLZCRBVNBCK-ZWKOTPCHSA-N 1 1 455.653 4.596 20 0 JJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)n1 ZINC001164882572 721359166 /nfs/dbraw/zinc/35/91/66/721359166.db2.gz JSRWBZSOOJQWJS-VQTJNVASSA-N 1 1 475.643 4.866 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cncc(Sc4cccc(C)c4)n3)C2)C1 ZINC001164782296 721362109 /nfs/dbraw/zinc/36/21/09/721362109.db2.gz MPJURRNFIMTQMD-SANMLTNESA-N 1 1 479.650 4.660 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cncc(Sc4cccc(C)c4)n3)C2)C1 ZINC001164782296 721362112 /nfs/dbraw/zinc/36/21/12/721362112.db2.gz MPJURRNFIMTQMD-SANMLTNESA-N 1 1 479.650 4.660 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C4CCCCC4)nc(C)n3)C2)C1 ZINC001164781619 721364264 /nfs/dbraw/zinc/36/42/64/721364264.db2.gz KBYYXASPIYEQPC-SANMLTNESA-N 1 1 453.631 4.557 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4c(Cl)ccc(F)c4n3)C2)C1 ZINC001164785381 721373654 /nfs/dbraw/zinc/37/36/54/721373654.db2.gz RWARZGFOJSRCOX-DEOSSOPVSA-N 1 1 458.965 4.751 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4c(F)cccc34)C2)C1 ZINC001164781970 721374953 /nfs/dbraw/zinc/37/49/53/721374953.db2.gz LBHLSYBDTOBODK-XMMPIXPASA-N 1 1 458.965 4.751 20 0 JJADMO COc1cc2c(cc(Cl)nc2N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)cc1F ZINC001164779717 721377013 /nfs/dbraw/zinc/37/70/13/721377013.db2.gz CHNKMWAPMBZXRR-VWLOTQADSA-N 1 1 488.991 4.760 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cnc(-c5ccccc5)c(-c5ccccc5)n4)C3)O2)CC1 ZINC001164890917 721408823 /nfs/dbraw/zinc/40/88/23/721408823.db2.gz UILZIDJKTXSIRE-FREGXXQWSA-N 1 1 483.660 4.576 20 0 JJADMO Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164783965 721410630 /nfs/dbraw/zinc/41/06/30/721410630.db2.gz JPTAQVTVSWHAOP-NHCUHLMSSA-N 1 1 475.021 4.884 20 0 JJADMO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164781726 721413485 /nfs/dbraw/zinc/41/34/85/721413485.db2.gz DJQDYFBLDRYQKF-TXEJJXNPSA-N 1 1 456.349 4.506 20 0 JJADMO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164781726 721413489 /nfs/dbraw/zinc/41/34/89/721413489.db2.gz DJQDYFBLDRYQKF-TXEJJXNPSA-N 1 1 456.349 4.506 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(-c5ccccc5)nc5ccc(Cl)cc54)C3)O2)CC1 ZINC001164887241 721419955 /nfs/dbraw/zinc/41/99/55/721419955.db2.gz LPYPIHVUCSJMCO-LXFBAYGMSA-N 1 1 492.067 4.716 20 0 JJADMO COCc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)n1 ZINC001164787260 721431920 /nfs/dbraw/zinc/43/19/20/721431920.db2.gz PSICTJOCLZBRJB-ROUUACIJSA-N 1 1 463.632 4.529 20 0 JJADMO Fc1ccc(-c2nc(Cl)cc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)n2)cc1Cl ZINC001164791059 721434715 /nfs/dbraw/zinc/43/47/15/721434715.db2.gz ZJUANKHBYSRGRS-ZIAGYGMSSA-N 1 1 450.370 4.614 20 0 JJADMO Fc1ccc(-c2nc(Cl)cc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)n2)cc1Cl ZINC001164791056 721434835 /nfs/dbraw/zinc/43/48/35/721434835.db2.gz ZJUANKHBYSRGRS-OKILXGFUSA-N 1 1 450.370 4.614 20 0 JJADMO Fc1ccc(-c2nc(Cl)cc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)n2)cc1Cl ZINC001164791056 721434839 /nfs/dbraw/zinc/43/48/39/721434839.db2.gz ZJUANKHBYSRGRS-OKILXGFUSA-N 1 1 450.370 4.614 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(Oc6ccccc6)cc5)nn4)C3)O2)CC1 ZINC001164898709 721444172 /nfs/dbraw/zinc/44/41/72/721444172.db2.gz WPFDZLONRIQFBS-FIBWVYCGSA-N 1 1 499.659 4.701 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3ccc(Cl)cc31)CC2 ZINC001164784519 721450313 /nfs/dbraw/zinc/45/03/13/721450313.db2.gz FWSGOBOHRBOFEO-LJQANCHMSA-N 1 1 479.452 4.671 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)ncc1Cl)CC2 ZINC001164790300 721451267 /nfs/dbraw/zinc/45/12/67/721451267.db2.gz XYMONVAZPUWCGV-KRWDZBQOSA-N 1 1 478.411 4.667 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3ccc(Cl)cc3)nn1)CC2 ZINC001164789399 721452630 /nfs/dbraw/zinc/45/26/30/721452630.db2.gz VIDJQSDYPXJJAJ-QHCPKHFHSA-N 1 1 471.045 4.531 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3ccc(Cl)cc3)nn1)CC2 ZINC001164789398 721452906 /nfs/dbraw/zinc/45/29/06/721452906.db2.gz VIDJQSDYPXJJAJ-HSZRJFAPSA-N 1 1 471.045 4.531 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1c(Cl)cc(Cl)nc1Cl)CC2 ZINC001164783661 721454652 /nfs/dbraw/zinc/45/46/52/721454652.db2.gz CNUOTLPMRQTZBT-MRXNPFEDSA-N 1 1 462.849 4.776 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3cc(Cl)ccc31)CC2 ZINC001164788599 721459627 /nfs/dbraw/zinc/45/96/27/721459627.db2.gz URCHYECJVSXOTE-IBGZPJMESA-N 1 1 479.452 4.671 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(F)cc3ccc(Cl)nc31)CC2 ZINC001164789282 721460081 /nfs/dbraw/zinc/46/00/81/721460081.db2.gz WLOPBJNEARHNKQ-NRFANRHFSA-N 1 1 462.009 4.761 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1ccc3cnc(Cl)nc3c1)CC2 ZINC001164784903 721462462 /nfs/dbraw/zinc/46/24/62/721462462.db2.gz KRLROCQDUBWIFQ-OAQYLSRUSA-N 1 1 495.014 4.562 20 0 JJADMO CC(C)C(=O)N1CC[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)CC[C@@H]21 ZINC001164889032 721465301 /nfs/dbraw/zinc/46/53/01/721465301.db2.gz HDHQISCMURABGZ-CTNGQTDRSA-N 1 1 481.710 4.639 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cccc3c(Cl)ncnc31)CC2 ZINC001164790671 721467857 /nfs/dbraw/zinc/46/78/57/721467857.db2.gz UJVYTLHXOMQTNR-LJQANCHMSA-N 1 1 495.014 4.562 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccnc(CSc3ccccc3)n1)CC2 ZINC001164789983 721471562 /nfs/dbraw/zinc/47/15/62/721471562.db2.gz PRQBUWHYZJEOCS-QHCPKHFHSA-N 1 1 482.694 4.503 20 0 JJADMO CCOC[C@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CC[C@H](C)C4)Cc2cnn(C)c21 ZINC001164789066 721477675 /nfs/dbraw/zinc/47/76/75/721477675.db2.gz ARBWJZPYIWKMPC-AZUAARDMSA-N 1 1 494.709 4.676 20 0 JJADMO CSc1nc(Cl)cc(C(F)(F)N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164793420 721490523 /nfs/dbraw/zinc/49/05/23/721490523.db2.gz SCGHZDBFCOOWJU-UHFFFAOYSA-N 1 1 453.990 4.673 20 0 JJADMO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)CC2 ZINC001164792636 721493511 /nfs/dbraw/zinc/49/35/11/721493511.db2.gz STLZYYXENAJEDD-UHFFFAOYSA-N 1 1 467.661 4.916 20 0 JJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)CC2 ZINC001164792636 721493513 /nfs/dbraw/zinc/49/35/13/721493513.db2.gz STLZYYXENAJEDD-UHFFFAOYSA-N 1 1 467.661 4.916 20 0 JJADMO COc1ccc(-c2nc3ccc(F)cc3c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)n2)cc1 ZINC001164808360 721541348 /nfs/dbraw/zinc/54/13/48/721541348.db2.gz RPVSARCKAMMSMQ-QKDODKLFSA-N 1 1 499.590 4.708 20 0 JJADMO COc1ccc(-c2nc3ccc(F)cc3c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)n2)cc1 ZINC001164808357 721541905 /nfs/dbraw/zinc/54/19/05/721541905.db2.gz RPVSARCKAMMSMQ-GMQQYTKMSA-N 1 1 499.590 4.708 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(-c3cc(Cl)ncn3)cc2)[C@H]2CCCO[C@H]12 ZINC001164799863 721542073 /nfs/dbraw/zinc/54/20/73/721542073.db2.gz BJYIQTSKOLVULN-ZDXQCDESSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(-c3cc(Cl)ncn3)cc2)[C@H]2CCCO[C@H]12 ZINC001164799863 721542076 /nfs/dbraw/zinc/54/20/76/721542076.db2.gz BJYIQTSKOLVULN-ZDXQCDESSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)nc(Cl)c(Cl)c2Cl)[C@H]2CCCO[C@@H]12 ZINC001164805183 721542155 /nfs/dbraw/zinc/54/21/55/721542155.db2.gz LBIKMCGMRPBPRS-OGHNNQOOSA-N 1 1 462.208 4.958 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)nc(Cl)c(Cl)c2Cl)[C@H]2CCCO[C@@H]12 ZINC001164805183 721542156 /nfs/dbraw/zinc/54/21/56/721542156.db2.gz LBIKMCGMRPBPRS-OGHNNQOOSA-N 1 1 462.208 4.958 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3cc(Cl)c(Cl)cc3nc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164798949 721542469 /nfs/dbraw/zinc/54/24/69/721542469.db2.gz AFOQUCUYWGLUQO-AQNXPRMDSA-N 1 1 478.811 4.853 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3cc(Cl)c(Cl)cc3nc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164798949 721542472 /nfs/dbraw/zinc/54/24/72/721542472.db2.gz AFOQUCUYWGLUQO-AQNXPRMDSA-N 1 1 478.811 4.853 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)[C@H]2CCCO[C@H]12 ZINC001164809418 721559260 /nfs/dbraw/zinc/55/92/60/721559260.db2.gz XEBBSJNUUZFLAR-NSHGMRRFSA-N 1 1 494.373 4.745 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)[C@H]2CCCO[C@H]12 ZINC001164809418 721559262 /nfs/dbraw/zinc/55/92/62/721559262.db2.gz XEBBSJNUUZFLAR-NSHGMRRFSA-N 1 1 494.373 4.745 20 0 JJADMO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccncc5)c4)CC[N@H+]3C2)c1 ZINC001164905949 721561519 /nfs/dbraw/zinc/56/15/19/721561519.db2.gz IEDRGGGXDDDLAN-FPOVZHCZSA-N 1 1 474.914 4.823 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3ccnc(Cl)c32)[C@@H]2CCCO[C@H]12 ZINC001164801640 721562623 /nfs/dbraw/zinc/56/26/23/721562623.db2.gz GYYOLRVFGJYYFI-SJBKTWHCSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3ccnc(Cl)c32)[C@@H]2CCCO[C@H]12 ZINC001164801640 721562628 /nfs/dbraw/zinc/56/26/28/721562628.db2.gz GYYOLRVFGJYYFI-SJBKTWHCSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)c(Cl)nc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164807993 721575014 /nfs/dbraw/zinc/57/50/14/721575014.db2.gz UHCFIKHUQCSBSH-BRWVUGGUSA-N 1 1 477.770 4.850 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)c(Cl)nc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164807993 721575017 /nfs/dbraw/zinc/57/50/17/721575017.db2.gz UHCFIKHUQCSBSH-BRWVUGGUSA-N 1 1 477.770 4.850 20 0 JJADMO Cc1ccc(-c2nnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c3ccccc32)cc1 ZINC001164798622 721576373 /nfs/dbraw/zinc/57/63/73/721576373.db2.gz BPMJGOWCRDGYFI-NSVAZKTRSA-N 1 1 465.601 4.868 20 0 JJADMO Cc1ccc(-c2nnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c3ccccc32)cc1 ZINC001164798622 721576375 /nfs/dbraw/zinc/57/63/75/721576375.db2.gz BPMJGOWCRDGYFI-NSVAZKTRSA-N 1 1 465.601 4.868 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccc(F)cc3)nc3ccccc32)[C@H]2CCCO[C@@H]12 ZINC001164810786 721577444 /nfs/dbraw/zinc/57/74/44/721577444.db2.gz WEIVLNVKZTZMKV-JIMJEQGWSA-N 1 1 469.564 4.699 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(-c3ccc(F)cc3)c3ccccc32)[C@@H]2CCCO[C@H]12 ZINC001164809583 721578373 /nfs/dbraw/zinc/57/83/73/721578373.db2.gz UAJDLUYJNKAAJZ-SLQPCKNISA-N 1 1 469.564 4.699 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(-c3ccc(F)cc3)c3ccccc32)[C@@H]2CCCO[C@H]12 ZINC001164809583 721578378 /nfs/dbraw/zinc/57/83/78/721578378.db2.gz UAJDLUYJNKAAJZ-SLQPCKNISA-N 1 1 469.564 4.699 20 0 JJADMO CSCc1nc2sc3c(c2c(N2C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]42)n1)CCCC3 ZINC001164810178 721579041 /nfs/dbraw/zinc/57/90/41/721579041.db2.gz UXVFAQBKOHMWMZ-MZLICYQSSA-N 1 1 495.718 4.696 20 0 JJADMO CSCc1nc2sc3c(c2c(N2C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]42)n1)CCCC3 ZINC001164810178 721579042 /nfs/dbraw/zinc/57/90/42/721579042.db2.gz UXVFAQBKOHMWMZ-MZLICYQSSA-N 1 1 495.718 4.696 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)[C@@H]2CCCO[C@H]12 ZINC001164805221 721580300 /nfs/dbraw/zinc/58/03/00/721580300.db2.gz LAVBXKMLYLPNIO-AKFKNWHVSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)[C@@H]2CCCO[C@H]12 ZINC001164805221 721580302 /nfs/dbraw/zinc/58/03/02/721580302.db2.gz LAVBXKMLYLPNIO-AKFKNWHVSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(-c3ccccc3)nnc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164810754 721580305 /nfs/dbraw/zinc/58/03/05/721580305.db2.gz WBNXHVPKUCCPMS-YTFSRNRJSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(-c3ccccc3)nnc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164810754 721580306 /nfs/dbraw/zinc/58/03/06/721580306.db2.gz WBNXHVPKUCCPMS-YTFSRNRJSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccc(Cl)s3)nc3c2CCC3)[C@H]2CCCO[C@@H]12 ZINC001164804122 721585911 /nfs/dbraw/zinc/58/59/11/721585911.db2.gz IXPVHWBNIXLIRU-MIZPHKNDSA-N 1 1 482.053 4.610 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccc(Cl)cc2)[C@H]2CCCO[C@@H]12 ZINC001164806258 721589619 /nfs/dbraw/zinc/58/96/19/721589619.db2.gz MPVHZIQOQZMZFN-KSEOMHKRSA-N 1 1 486.403 4.839 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccc(Cl)cc2)[C@H]2CCCO[C@@H]12 ZINC001164806258 721589620 /nfs/dbraw/zinc/58/96/20/721589620.db2.gz MPVHZIQOQZMZFN-KSEOMHKRSA-N 1 1 486.403 4.839 20 0 JJADMO CCc1ccc(Oc2nc(Cl)ncc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)cc1 ZINC001164804089 721590276 /nfs/dbraw/zinc/59/02/76/721590276.db2.gz IHIHUWSFOHCISZ-YFNKSVMNSA-N 1 1 480.012 4.748 20 0 JJADMO CCc1ccc(Oc2nc(Cl)ncc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)cc1 ZINC001164804089 721590278 /nfs/dbraw/zinc/59/02/78/721590278.db2.gz IHIHUWSFOHCISZ-YFNKSVMNSA-N 1 1 480.012 4.748 20 0 JJADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCn5cnc(COCC6CC6)c5C3)n2)CCC4)CC1 ZINC001164800856 721600136 /nfs/dbraw/zinc/60/01/36/721600136.db2.gz NBIDZEAWDPQYCF-UHFFFAOYSA-N 1 1 492.693 4.555 20 0 JJADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCOC[C@H]3COc3cccnc3)CC2)nc1 ZINC001164802031 721604210 /nfs/dbraw/zinc/60/42/10/721604210.db2.gz RSNCQIKXUNOGKO-ZCYQVOJMSA-N 1 1 450.627 4.726 20 0 JJADMO C[C@@H]1CCc2c(sc3ncnc(N4CCC(F)(F)[C@@]5(CC[N@@H+](Cc6ccccn6)C5)C4)c23)C1 ZINC001164905368 721702903 /nfs/dbraw/zinc/70/29/03/721702903.db2.gz ISUPSGDASOPVLH-MZNJEOGPSA-N 1 1 469.605 4.949 20 0 JJADMO Fc1cccc(Oc2nc(Cl)nc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)c1 ZINC001164906582 721714778 /nfs/dbraw/zinc/71/47/78/721714778.db2.gz NAKMLWDLZDUEST-QFIPXVFZSA-N 1 1 490.917 4.589 20 0 JJADMO Cc1nc2sc3c(c2c(N2CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C2)n1)CCC3 ZINC001164907413 721723685 /nfs/dbraw/zinc/72/36/85/721723685.db2.gz RRMMNQBJAVBVAL-HSZRJFAPSA-N 1 1 455.578 4.621 20 0 JJADMO CC(C)C(=O)N1CCC[C@@]12CCN(c1nc(C[NH+]3CCC(C)CC3)nc3sc4c(c31)CCC4)C2 ZINC001165007335 721726574 /nfs/dbraw/zinc/72/65/74/721726574.db2.gz BJWRZXZUZBXBKW-MHZLTWQESA-N 1 1 481.710 4.639 20 0 JJADMO O=C(OCc1ccccc1)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164913893 721728204 /nfs/dbraw/zinc/72/82/04/721728204.db2.gz ZJEIGHKMUQJLDK-AREMUKBSSA-N 1 1 478.543 4.571 20 0 JJADMO FC1(F)CCN(c2nc(-c3ccncc3)nc3sccc32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164913832 721732747 /nfs/dbraw/zinc/73/27/47/721732747.db2.gz YSKWJTDWBRGKLD-DEOSSOPVSA-N 1 1 478.572 4.886 20 0 JJADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2ccc3nc(Cl)cc(Cl)c3c2)CC1 ZINC001165011868 721735514 /nfs/dbraw/zinc/73/55/14/721735514.db2.gz VEXJQQDUIQGNCZ-UHFFFAOYSA-N 1 1 471.379 4.610 20 0 JJADMO FC(F)(N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164909148 721737525 /nfs/dbraw/zinc/73/75/25/721737525.db2.gz CLOVEEBMMZOHJE-HXUWFJFHSA-N 1 1 468.926 4.988 20 0 JJADMO O=C1N(c2cccnc2)CC[C@@]12CN(c1nc(Cl)ccc1C[NH+]1CCCC1)C[C@H]2c1ccccc1 ZINC001164912186 721741495 /nfs/dbraw/zinc/74/14/95/721741495.db2.gz MLYWCIVSTXSIGP-CUBQBAPOSA-N 1 1 488.035 4.753 20 0 JJADMO CCOC(=O)c1cnc(Cl)c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1Cl ZINC001164908930 721749687 /nfs/dbraw/zinc/74/96/87/721749687.db2.gz ORGBEMMEMQQAPS-UHFFFAOYSA-N 1 1 475.376 4.748 20 0 JJADMO CCOC(=O)c1cnc(Cl)c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1Cl ZINC001164908930 721749693 /nfs/dbraw/zinc/74/96/93/721749693.db2.gz ORGBEMMEMQQAPS-UHFFFAOYSA-N 1 1 475.376 4.748 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(Cl)nc(-c3ccncc3)n1)C2 ZINC001164912213 721759752 /nfs/dbraw/zinc/75/97/52/721759752.db2.gz VKYCNIIEWDYLOZ-UHFFFAOYSA-N 1 1 496.949 4.920 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(Cl)nc(-c3ccncc3)n1)C2 ZINC001164912213 721759754 /nfs/dbraw/zinc/75/97/54/721759754.db2.gz VKYCNIIEWDYLOZ-UHFFFAOYSA-N 1 1 496.949 4.920 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(-c3ccccn3)nc3ccccc31)C2 ZINC001164910973 721761063 /nfs/dbraw/zinc/76/10/63/721761063.db2.gz MPNXNNSWUGXVQR-UHFFFAOYSA-N 1 1 462.557 4.875 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(-c3ccccn3)nc3ccccc31)C2 ZINC001164910973 721761066 /nfs/dbraw/zinc/76/10/66/721761066.db2.gz MPNXNNSWUGXVQR-UHFFFAOYSA-N 1 1 462.557 4.875 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC[C@@H]4CN(C(=O)c5ccco5)C[C@@H]43)c2c1C ZINC001165017140 721772363 /nfs/dbraw/zinc/77/23/63/721772363.db2.gz QWWKCFUMDQRGAC-UXHICEINSA-N 1 1 479.650 4.628 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)C[C@@H]21 ZINC001165027230 721807092 /nfs/dbraw/zinc/80/70/92/721807092.db2.gz UOAIHIPZTUHPDE-VIICAESSSA-N 1 1 489.067 4.778 20 0 JJADMO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(n3)CCN(Cc3ccccc3)C4)C[C@H]21 ZINC001165017879 721807752 /nfs/dbraw/zinc/80/77/52/721807752.db2.gz BALLOCZUKUQJGB-WIDNXDAUSA-N 1 1 467.661 4.772 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(n3)CCN(Cc3ccccc3)C4)C[C@H]21 ZINC001165017879 721807753 /nfs/dbraw/zinc/80/77/53/721807753.db2.gz BALLOCZUKUQJGB-WIDNXDAUSA-N 1 1 467.661 4.772 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccc4ncnc(Cl)c4c3)C[C@H]21 ZINC001165024535 721808407 /nfs/dbraw/zinc/80/84/07/721808407.db2.gz LUVBEFCGACJCKG-BSLALVQMSA-N 1 1 457.956 4.960 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCO[C@H]4[C@H]3CC[C@H]4COCc3nccs3)c2c1C ZINC001164916297 721811036 /nfs/dbraw/zinc/81/10/36/721811036.db2.gz GKNYBWMOMJOTJD-YCRNBWNJSA-N 1 1 499.706 4.561 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3ccn4Cc3cccc(F)c3)C[C@@H]21 ZINC001165022576 721814336 /nfs/dbraw/zinc/81/43/36/721814336.db2.gz FZCFNUBTIOAEFG-OUIFVKKZSA-N 1 1 470.596 4.751 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)ncc3C(=O)OC(C)(C)C)C[C@@H]21 ZINC001165027174 721816680 /nfs/dbraw/zinc/81/66/80/721816680.db2.gz SVGWXPDAIBFNIG-DZFGPLHGSA-N 1 1 457.018 4.822 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccncc4)n3)C[C@@H]21 ZINC001165030143 721822482 /nfs/dbraw/zinc/82/24/82/721822482.db2.gz YBECQEFYVHOVNL-HLAWJBBLSA-N 1 1 484.982 4.869 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)nc(-c4cccnc4)n3)C[C@@H]21 ZINC001165020679 721822519 /nfs/dbraw/zinc/82/25/19/721822519.db2.gz DDUZCDNBPWYKHU-SESVDKBCSA-N 1 1 484.982 4.869 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(-c4cccnc4)nc4ccccc43)C[C@H]21 ZINC001165024000 721823506 /nfs/dbraw/zinc/82/35/06/721823506.db2.gz JGAJPOCHWSYAHH-YMVVMYQSSA-N 1 1 450.590 4.824 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(-c4cccnc4)nc4ccccc43)C[C@@H]21 ZINC001165023996 721823601 /nfs/dbraw/zinc/82/36/01/721823601.db2.gz JGAJPOCHWSYAHH-LJGDZFJRSA-N 1 1 450.590 4.824 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c(-c5ccccc5)nsc43)C[C@@H]21 ZINC001165029062 721824707 /nfs/dbraw/zinc/82/47/07/721824707.db2.gz WURDTMLGZGSHNG-BAGYTPMASA-N 1 1 456.619 4.885 20 0 JJADMO Cc1ccc(-c2nc3c(ncnc3N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)o2)cc1 ZINC001165023187 721825282 /nfs/dbraw/zinc/82/52/82/721825282.db2.gz IGRTVSWSVYDKLS-WWNPGLIZSA-N 1 1 454.578 4.725 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cccc4c(Cl)ncnc43)C[C@H]21 ZINC001165026734 721825501 /nfs/dbraw/zinc/82/55/01/721825501.db2.gz PWLWYZKOQDORAS-OZOXKJRCSA-N 1 1 457.956 4.960 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(C(=O)OCc4ccccc4)cn3)C[C@H]21 ZINC001165019832 721826037 /nfs/dbraw/zinc/82/60/37/721826037.db2.gz CGDJNRRBXWUJSK-LGPLSSKUSA-N 1 1 456.590 4.571 20 0 JJADMO COc1ccc(Oc2cc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nc(C)n2)cc1 ZINC001165019145 721829172 /nfs/dbraw/zinc/82/91/72/721829172.db2.gz BFALVMCVSNIPRT-AMDXRBSFSA-N 1 1 459.594 4.718 20 0 JJADMO COc1ccc(Cc2c(C)nc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nc2C)cc1 ZINC001165022335 721829846 /nfs/dbraw/zinc/82/98/46/721829846.db2.gz GXMRIUJCSRHGFF-MXSCXNJPSA-N 1 1 471.649 4.825 20 0 JJADMO O=C1Nc2c(cccc2F)C12CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001165020059 721833141 /nfs/dbraw/zinc/83/31/41/721833141.db2.gz BRYMATNVJVVAKT-UHFFFAOYSA-N 1 1 491.636 4.795 20 0 JJADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c21 ZINC001164930930 721879666 /nfs/dbraw/zinc/87/96/66/721879666.db2.gz DLCXIWCEPPKEJL-DHIUTWEWSA-N 1 1 470.646 4.635 20 0 JJADMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c21 ZINC001164930930 721879667 /nfs/dbraw/zinc/87/96/67/721879667.db2.gz DLCXIWCEPPKEJL-DHIUTWEWSA-N 1 1 470.646 4.635 20 0 JJADMO Cc1ccc(-c2csc3nc(-c4ccncc4)nc(N4CC[C@H]5[C@@H]4CC[N@@H+]5CCN(C)C)c23)cc1 ZINC001164935060 721880226 /nfs/dbraw/zinc/88/02/26/721880226.db2.gz VERRTMCQHVIRBY-ZEQRLZLVSA-N 1 1 484.673 4.943 20 0 JJADMO Cc1ccc(-c2csc3nc(-c4ccncc4)nc(N4CC[C@H]5[C@@H]4CCN5CC[NH+](C)C)c23)cc1 ZINC001164935060 721880228 /nfs/dbraw/zinc/88/02/28/721880228.db2.gz VERRTMCQHVIRBY-ZEQRLZLVSA-N 1 1 484.673 4.943 20 0 JJADMO CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3CC[C@H]4[C@@H]3CCC(=O)N4C)n2)CC1 ZINC001164934934 721893234 /nfs/dbraw/zinc/89/32/34/721893234.db2.gz UMCROLHWDMDEFB-OALUTQOASA-N 1 1 481.691 4.851 20 0 JJADMO CN1C(=O)CC[C@@H]2[C@H]1CCN2c1nc(C[NH+]2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001164932837 721893265 /nfs/dbraw/zinc/89/32/65/721893265.db2.gz JAXVCKWEAYKKEH-NHCUHLMSSA-N 1 1 461.635 4.544 20 0 JJADMO CN1C(=O)CC[C@@H]2[C@@H]1CCN2c1nc(C[NH+]2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001164932836 721893348 /nfs/dbraw/zinc/89/33/48/721893348.db2.gz JAXVCKWEAYKKEH-LEWJYISDSA-N 1 1 461.635 4.544 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4cnc(Cl)nc4Cl)CC3)C2)cc1 ZINC001164938176 721921087 /nfs/dbraw/zinc/92/10/87/721921087.db2.gz IYYBYOOPSYCWOC-UHFFFAOYSA-N 1 1 457.352 4.508 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4nc(Cl)cc(Cl)n4)CC3)C2)cc1 ZINC001164937336 721921816 /nfs/dbraw/zinc/92/18/16/721921816.db2.gz CEHNZHBMNJHZSQ-UHFFFAOYSA-N 1 1 457.352 4.508 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(NC(=O)OC(C)(C)C)cn4)CC3)C2)cc1 ZINC001164938615 721930633 /nfs/dbraw/zinc/93/06/33/721930633.db2.gz AVSKJIJDTRWHTN-UHFFFAOYSA-N 1 1 452.599 4.608 20 0 JJADMO FC(F)(c1ccc2ncnc(Cl)c2n1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001165044653 721939862 /nfs/dbraw/zinc/93/98/62/721939862.db2.gz QOTPZKNMVLVELM-UHFFFAOYSA-N 1 1 461.303 4.751 20 0 JJADMO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001165043756 721940123 /nfs/dbraw/zinc/94/01/23/721940123.db2.gz FRCQDIQIVNQJFJ-UHFFFAOYSA-N 1 1 481.359 4.899 20 0 JJADMO Cc1nc2scc(-c3cccs3)c2c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164946064 721978494 /nfs/dbraw/zinc/97/84/94/721978494.db2.gz JIIZIFQXKLYWFO-UHFFFAOYSA-N 1 1 489.670 4.699 20 0 JJADMO Cc1nc2scc(-c3cccs3)c2c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164946064 721978498 /nfs/dbraw/zinc/97/84/98/721978498.db2.gz JIIZIFQXKLYWFO-UHFFFAOYSA-N 1 1 489.670 4.699 20 0 JJADMO COC[C@@]12COC[C@@H]1CN(c1nc(C[NH+]3CCCCC3)nc3scc(-c4cccs4)c31)C2 ZINC001164952892 721995197 /nfs/dbraw/zinc/99/51/97/721995197.db2.gz QUIGITXYXGYZFZ-XDHUDOTRSA-N 1 1 470.664 4.505 20 0 JJADMO Clc1nc2c(c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)n1)CN(Cc1ccccc1)C2 ZINC001164952012 722015446 /nfs/dbraw/zinc/01/54/46/722015446.db2.gz FZHJCBJYXWGRGS-UHFFFAOYSA-N 1 1 475.040 4.533 20 0 JJADMO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955247 722022007 /nfs/dbraw/zinc/02/20/07/722022007.db2.gz BWMFBLGRWAWVOS-JOCHJYFZSA-N 1 1 456.638 4.896 20 0 JJADMO Clc1nnc(Cl)c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1N1CCCCC1 ZINC001164964452 722025175 /nfs/dbraw/zinc/02/51/75/722025175.db2.gz WKBQADLHTCIYNM-UHFFFAOYSA-N 1 1 461.441 4.661 20 0 JJADMO c1sc2ncnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2c1-c1ccccc1 ZINC001164958966 722054355 /nfs/dbraw/zinc/05/43/55/722054355.db2.gz IHCAIJHZGLGTMT-UHFFFAOYSA-N 1 1 471.630 4.872 20 0 JJADMO CSc1ccc(C(F)(F)N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1Cl ZINC001164963790 722057289 /nfs/dbraw/zinc/05/72/89/722057289.db2.gz KYBOWHBAXCNTBY-UHFFFAOYSA-N 1 1 469.001 4.516 20 0 JJADMO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164961636 722061280 /nfs/dbraw/zinc/06/12/80/722061280.db2.gz NJJJAHYXTXJEFX-UHFFFAOYSA-N 1 1 490.904 4.813 20 0 JJADMO Fc1cccc(Oc2nc(Cl)ncc2N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001164963724 722062153 /nfs/dbraw/zinc/06/21/53/722062153.db2.gz CKNCZGKAQKNPSW-UHFFFAOYSA-N 1 1 483.975 4.575 20 0 JJADMO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164964679 722062312 /nfs/dbraw/zinc/06/23/12/722062312.db2.gz HWCBLFGXRXZNBO-UHFFFAOYSA-N 1 1 462.972 4.671 20 0 JJADMO COc1cc2c(cc1F)cc(Cl)nc2N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164966460 722062495 /nfs/dbraw/zinc/06/24/95/722062495.db2.gz UIOORQVCCZWPME-UHFFFAOYSA-N 1 1 470.976 4.550 20 0 JJADMO CCc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc1 ZINC001164965156 722062570 /nfs/dbraw/zinc/06/25/70/722062570.db2.gz JDFDCHAZQDNTJV-UHFFFAOYSA-N 1 1 494.039 4.999 20 0 JJADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@H]5CC(C(=O)NC6CCC6)C[C@@H]5C4)c32)C1 ZINC001164978390 722085565 /nfs/dbraw/zinc/08/55/65/722085565.db2.gz YWFYSFDLPBROPX-MISYRCLQSA-N 1 1 493.721 4.543 20 0 JJADMO O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164975851 722091226 /nfs/dbraw/zinc/09/12/26/722091226.db2.gz RAMRQUDKEXXJSA-XMMPIXPASA-N 1 1 458.650 4.553 20 0 JJADMO Fc1ccc2nc(-c3ccccc3F)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164985810 722107963 /nfs/dbraw/zinc/10/79/63/722107963.db2.gz WYSXCJSIYBEZLO-FQRUVTKNSA-N 1 1 487.554 4.697 20 0 JJADMO Clc1nc(Cl)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1Cl ZINC001164979199 722108336 /nfs/dbraw/zinc/10/83/36/722108336.db2.gz PNNUDXAVSNBRKQ-KBPBESRZSA-N 1 1 462.208 4.818 20 0 JJADMO Cc1ccc(-c2csc3ncnc(N4CC[C@@H]5C[N@@H+](Cc6cccnc6)CCO[C@H]5C4)c23)cc1 ZINC001164979134 722111733 /nfs/dbraw/zinc/11/17/33/722111733.db2.gz PDNFUZFKYFRJMQ-VWNXMTODSA-N 1 1 471.630 4.789 20 0 JJADMO c1ccc(-c2ncc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2-c2ccccc2)cc1 ZINC001164975717 722114732 /nfs/dbraw/zinc/11/47/32/722114732.db2.gz KLRYTBCMXMJADN-SVBPBHIXSA-N 1 1 477.612 4.933 20 0 JJADMO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976336 722123151 /nfs/dbraw/zinc/12/31/51/722123151.db2.gz LEVIVFSOEHRJBM-VQIMIIECSA-N 1 1 494.373 4.604 20 0 JJADMO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973206 722123509 /nfs/dbraw/zinc/12/35/09/722123509.db2.gz GWCOSTLKSQNVOC-UZLBHIALSA-N 1 1 494.373 4.604 20 0 JJADMO c1ccc(COc2ccc3nc(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@H]5C4)ccc3c2)cc1 ZINC001164983211 722126247 /nfs/dbraw/zinc/12/62/47/722126247.db2.gz YMDBCYIVRGEEHH-WNJJXGMVSA-N 1 1 480.612 4.936 20 0 JJADMO Fc1ccc(-c2nnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c3ccccc32)cc1 ZINC001164982795 722141806 /nfs/dbraw/zinc/14/18/06/722141806.db2.gz SRWHFFAWBRVICC-GJZUVCINSA-N 1 1 469.564 4.558 20 0 JJADMO Fc1ccc(-c2nc(Cl)cc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1Cl ZINC001164972153 722152539 /nfs/dbraw/zinc/15/25/39/722152539.db2.gz GAPOIMGERAVSBL-RXVVDRJESA-N 1 1 488.394 4.712 20 0 JJADMO Clc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164973849 722154340 /nfs/dbraw/zinc/15/43/40/722154340.db2.gz NCGMUYYYOGTGCF-GCJKJVERSA-N 1 1 486.403 4.698 20 0 JJADMO Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c(Cl)nn2)cc1 ZINC001164972804 722158001 /nfs/dbraw/zinc/15/80/01/722158001.db2.gz JQXHQEPMWVPDKY-URXFXBBRSA-N 1 1 499.993 4.773 20 0 JJADMO c1ccc(C[N@H+]2CCc3nc(N4CCC[C@@]5(C[C@@H](OCC6CCCC6)CO5)C4)ccc3C2)cc1 ZINC001164976749 722164577 /nfs/dbraw/zinc/16/45/77/722164577.db2.gz CVSMJZYNSCLKPF-GGXMVOPNSA-N 1 1 461.650 4.975 20 0 JJADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3C[C@@H]4c5ccccc5[C@@H](OCC5CC5)[C@@H]4C3)C2)cc1 ZINC001164980477 722170755 /nfs/dbraw/zinc/17/07/55/722170755.db2.gz YIYFPBZRWUPMLE-STROYTFGSA-N 1 1 452.602 4.736 20 0 JJADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3C[C@@H]4c5ccccc5[C@@H](OCC5CC5)[C@@H]4C3)C2)cc1 ZINC001164980477 722170757 /nfs/dbraw/zinc/17/07/57/722170757.db2.gz YIYFPBZRWUPMLE-STROYTFGSA-N 1 1 452.602 4.736 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)nc1 ZINC001164992377 722186262 /nfs/dbraw/zinc/18/62/62/722186262.db2.gz WECIGBLAMSKCLR-SDHSZQHLSA-N 1 1 469.699 4.653 20 0 JJADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(C(F)(F)c2nc(Cl)cc(N4CCCC4)n2)C3)c1 ZINC001164995226 722194900 /nfs/dbraw/zinc/19/49/00/722194900.db2.gz SUQOPJIWBPLCSK-JOCHJYFZSA-N 1 1 465.951 4.659 20 0 JJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C(F)(F)c2nc(Cl)cc(N4CCCC4)n2)C3)c1 ZINC001164995226 722194903 /nfs/dbraw/zinc/19/49/03/722194903.db2.gz SUQOPJIWBPLCSK-JOCHJYFZSA-N 1 1 465.951 4.659 20 0 JJADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(C(F)(F)c2nc(Cl)cc(N4CCCC4)n2)C3)c1 ZINC001164995234 722195096 /nfs/dbraw/zinc/19/50/96/722195096.db2.gz SUQOPJIWBPLCSK-QFIPXVFZSA-N 1 1 465.951 4.659 20 0 JJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(C(F)(F)c2nc(Cl)cc(N4CCCC4)n2)C3)c1 ZINC001164995234 722195098 /nfs/dbraw/zinc/19/50/98/722195098.db2.gz SUQOPJIWBPLCSK-QFIPXVFZSA-N 1 1 465.951 4.659 20 0 JJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc(Cl)nc4c2ncn4[C@H]2CCCCO2)C3)c1 ZINC001164993936 722198901 /nfs/dbraw/zinc/19/89/01/722198901.db2.gz JMHDHNNXUOJGKE-NTKDMRAZSA-N 1 1 470.980 4.563 20 0 JJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc(Cl)nc4c2ncn4[C@H]2CCCCO2)C3)c1 ZINC001164993935 722199045 /nfs/dbraw/zinc/19/90/45/722199045.db2.gz JMHDHNNXUOJGKE-DVECYGJZSA-N 1 1 470.980 4.563 20 0 JJADMO Fc1ccc(Oc2nc(Cl)nc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)n2)cc1 ZINC001164995016 722203526 /nfs/dbraw/zinc/20/35/26/722203526.db2.gz KLCCSDSQVHPCDX-HSZRJFAPSA-N 1 1 457.912 4.840 20 0 JJADMO O=C(NCC1CC1)C1=CC2(CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC2)c2ccccc21 ZINC001164999459 722220695 /nfs/dbraw/zinc/22/06/95/722220695.db2.gz RLXZHQFGHJUNGI-UHFFFAOYSA-N 1 1 477.052 4.792 20 0 JJADMO CC(C)c1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001359715492 1064263706 /nfs/dbraw/zinc/26/37/06/1064263706.db2.gz CJCYGXKACBRRBG-FGZHOGPDSA-N 1 1 481.714 4.652 20 0 JJADMO CC(C)c1nnc(N2CCN(c3ccccc3F)C[C@@H]2C)n1CCC[N@@H+](C)C1CCCCC1 ZINC001359716998 1064265672 /nfs/dbraw/zinc/26/56/72/1064265672.db2.gz DVKZZDGCIAFBCG-NRFANRHFSA-N 1 1 456.654 4.910 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC=C(C(C)(C)C)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545859171 1064267551 /nfs/dbraw/zinc/26/75/51/1064267551.db2.gz GKGGVIQYQOOPMX-OYRHEFFESA-N 1 1 472.722 4.747 20 0 JJADMO CC(C)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001359726958 1064273641 /nfs/dbraw/zinc/27/36/41/1064273641.db2.gz BNNCSXMQNOOYAE-QKNQBKEWSA-N 1 1 488.702 4.650 20 0 JJADMO CC(C)c1nnc(N2C[C@@H](CC3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001359727905 1064274732 /nfs/dbraw/zinc/27/47/32/1064274732.db2.gz LBRXVDVSWJZQJG-DNQXCXABSA-N 1 1 496.700 4.663 20 0 JJADMO CC(C)[C@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001359728637 1064276613 /nfs/dbraw/zinc/27/66/13/1064276613.db2.gz HOWJFYPIPGEUGG-SFHVURJKSA-N 1 1 477.495 4.793 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3C)C2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001545870633 1064285261 /nfs/dbraw/zinc/28/52/61/1064285261.db2.gz SASGIBNYHXQBIG-LADGPHEKSA-N 1 1 480.701 4.763 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccc(F)cc3)C2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001545870841 1064285745 /nfs/dbraw/zinc/28/57/45/1064285745.db2.gz XZBJFWYZGSOQRA-XUZZJYLKSA-N 1 1 484.664 4.594 20 0 JJADMO CC(C)[C@@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2CCC[N@@H+](C)C2CCCCC2)C1 ZINC001359732325 1064286489 /nfs/dbraw/zinc/28/64/89/1064286489.db2.gz BTOSFXZEWCKOBQ-OAQYLSRUSA-N 1 1 486.730 4.797 20 0 JJADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)CCCc1ccc(Br)cc1 ZINC001545879928 1064295456 /nfs/dbraw/zinc/29/54/56/1064295456.db2.gz KASXMJCKOBOKGI-QFIPXVFZSA-N 1 1 459.428 4.991 20 0 JJADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)CCc1cc(Br)cs1 ZINC001545880098 1064295626 /nfs/dbraw/zinc/29/56/26/1064295626.db2.gz PWJWRIBHPRSQGI-SFHVURJKSA-N 1 1 451.430 4.662 20 0 JJADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)CS[C@H](C)c1nc2ccccc2[nH]1 ZINC001545880142 1064296410 /nfs/dbraw/zinc/29/64/10/1064296410.db2.gz RGYPCRYWPDMKMK-QUCCMNQESA-N 1 1 452.624 4.576 20 0 JJADMO CC(C)[C@@H]1CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001359737582 1064298368 /nfs/dbraw/zinc/29/83/68/1064298368.db2.gz AQNBKDZEBJVIRU-LRSLUSHPSA-N 1 1 488.721 4.794 20 0 JJADMO CC(C)[C@@H]1CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001359737615 1064298456 /nfs/dbraw/zinc/29/84/56/1064298456.db2.gz BOLYBORLGBUPOP-XJUOHMSHSA-N 1 1 488.721 4.938 20 0 JJADMO CC(C)[C@@H]1CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001359737581 1064298590 /nfs/dbraw/zinc/29/85/90/1064298590.db2.gz AQNBKDZEBJVIRU-LNRXMEIDSA-N 1 1 488.721 4.794 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC3(C2)CCC(F)(F)CC3)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001545884816 1064301303 /nfs/dbraw/zinc/30/13/03/1064301303.db2.gz GDWBGELASIHFNB-HXUWFJFHSA-N 1 1 494.675 4.723 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC3(C2)CCCCC3)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001545885029 1064301967 /nfs/dbraw/zinc/30/19/67/1064301967.db2.gz LGQLIZWFHKSSBJ-JOCHJYFZSA-N 1 1 472.722 4.725 20 0 JJADMO CC(C)[C@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001359738803 1064303757 /nfs/dbraw/zinc/30/37/57/1064303757.db2.gz DDJZAFYGKUDWPR-SJORKVTESA-N 1 1 496.881 4.564 20 0 JJADMO CC(C)[C@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001359738803 1064303773 /nfs/dbraw/zinc/30/37/73/1064303773.db2.gz DDJZAFYGKUDWPR-SJORKVTESA-N 1 1 496.881 4.564 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCc3c(Cl)cccc3C2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001545886629 1064303851 /nfs/dbraw/zinc/30/38/51/1064303851.db2.gz GYWDZZGPWAAHHU-RTBURBONSA-N 1 1 487.092 4.533 20 0 JJADMO CC(C)[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+]2CC=CCC2)CCS1 ZINC001359746310 1064323655 /nfs/dbraw/zinc/32/36/55/1064323655.db2.gz DBGMHXUJZYMOKQ-HXUWFJFHSA-N 1 1 476.488 4.547 20 0 JJADMO CC(C)[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCCC(C)(C)C2)CCS1 ZINC001359746799 1064324887 /nfs/dbraw/zinc/32/48/87/1064324887.db2.gz NKPNSERRRPMAAB-IBGZPJMESA-N 1 1 495.535 4.736 20 0 JJADMO CC(C)[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C)[NH+]2CCOCC2)CCS1 ZINC001359748604 1064335457 /nfs/dbraw/zinc/33/54/57/1064335457.db2.gz ZYFKMAKKUQHQPI-NZQKXSOJSA-N 1 1 471.715 4.541 20 0 JJADMO Cc1ccc(NC(=O)[C@@H](C)c2cccc(Br)c2)cc1NC(=O)C[NH+]1CCCCC1 ZINC001434914155 1064340273 /nfs/dbraw/zinc/34/02/73/1064340273.db2.gz AEYDOSAIIWXBGH-KRWDZBQOSA-N 1 1 458.400 4.924 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1ccccc1C[NH+]1CCSCC1)c1ccccc1 ZINC001434920950 1064348984 /nfs/dbraw/zinc/34/89/84/1064348984.db2.gz QBIHWIKDMIPGQU-JOCHJYFZSA-N 1 1 455.624 4.830 20 0 JJADMO CC(C)[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC001359756552 1064353992 /nfs/dbraw/zinc/35/39/92/1064353992.db2.gz UNPBLVUTVNLEPW-MJTJJFPGSA-N 1 1 483.701 4.578 20 0 JJADMO CC(C)[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC001359756554 1064354760 /nfs/dbraw/zinc/35/47/60/1064354760.db2.gz UNPBLVUTVNLEPW-WJNCPCKPSA-N 1 1 483.701 4.578 20 0 JJADMO CCCN(C(=O)CSCC(=O)Nc1ccc(C)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001434974392 1064388896 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UMHJPBDMNPRHJA-KDURUIRLSA-N 1 1 467.580 4.631 20 0 JJADMO CC(C)Cc1nnc(N(C)Cc2cccc(Br)c2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001359780972 1064431554 /nfs/dbraw/zinc/43/15/54/1064431554.db2.gz PCHBVEPAGSXVFV-SFHVURJKSA-N 1 1 457.420 4.650 20 0 JJADMO CC(C)Cc1nnc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1Cc1nnc(C(C)(C)C)s1 ZINC001359783581 1064434938 /nfs/dbraw/zinc/43/49/38/1064434938.db2.gz DEJKMCSKLACSAM-NRFANRHFSA-N 1 1 481.714 4.632 20 0 JJADMO CC(C)Cc1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C[C@@H](C)c1ccccc1 ZINC001359786429 1064440711 /nfs/dbraw/zinc/44/07/11/1064440711.db2.gz XJSPCIGEYGRDLM-VIICAESSSA-N 1 1 463.674 4.533 20 0 JJADMO CC(C)Cc1nnc(N2Cc3ccc(Br)cc3C2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001359791866 1064449227 /nfs/dbraw/zinc/44/92/27/1064449227.db2.gz GZBLNQUOZNPONY-ZWKOTPCHSA-N 1 1 460.464 4.880 20 0 JJADMO CC(C)Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001359798475 1064462383 /nfs/dbraw/zinc/46/23/83/1064462383.db2.gz JQDSTYNHMIALFK-HNNXBMFYSA-N 1 1 455.491 4.530 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001359798646 1064463270 /nfs/dbraw/zinc/46/32/70/1064463270.db2.gz MHTYYYANEQQLOS-YADHBBJMSA-N 1 1 490.737 4.871 20 0 JJADMO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)[C@@H]1CCCn2cc(C(F)(F)F)nc21 ZINC001435048013 1064464721 /nfs/dbraw/zinc/46/47/21/1064464721.db2.gz VIOGIHHRGAZAII-ZWKOTPCHSA-N 1 1 454.924 4.604 20 0 JJADMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)[C@@H]1CCCn2cc(C(F)(F)F)nc21 ZINC001435048013 1064464731 /nfs/dbraw/zinc/46/47/31/1064464731.db2.gz VIOGIHHRGAZAII-ZWKOTPCHSA-N 1 1 454.924 4.604 20 0 JJADMO CC(C)Cc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001359799165 1064465215 /nfs/dbraw/zinc/46/52/15/1064465215.db2.gz YJZQVIBGPIDMOQ-VXKWHMMOSA-N 1 1 490.737 4.871 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001359807744 1064478040 /nfs/dbraw/zinc/47/80/40/1064478040.db2.gz BYDPMUSFFCEKIV-ISKFKSNPSA-N 1 1 498.716 4.690 20 0 JJADMO CC(C)Cc1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1C[C@](C)(O)c1cccs1 ZINC001359808874 1064481754 /nfs/dbraw/zinc/48/17/54/1064481754.db2.gz YVCGHSDQTZRVNT-LVXARBLLSA-N 1 1 473.731 4.927 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001359815644 1064497033 /nfs/dbraw/zinc/49/70/33/1064497033.db2.gz QWVOTIBVCPOZPK-HHHXNRCGSA-N 1 1 488.120 4.969 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@H](OCc3ccccc3)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001359817378 1064500057 /nfs/dbraw/zinc/50/00/57/1064500057.db2.gz CCPGWOBVPDAMGT-VWNXMTODSA-N 1 1 453.675 4.783 20 0 JJADMO CC(C)Cc1nnc(N2CCc3cccc(Br)c3C2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001359821368 1064504311 /nfs/dbraw/zinc/50/43/11/1064504311.db2.gz IOGSJUXEXGVXDO-OALUTQOASA-N 1 1 474.491 4.922 20 0 JJADMO CC(C)Cc1nnc(N2CCc3cccc(Br)c3C2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001359821367 1064504340 /nfs/dbraw/zinc/50/43/40/1064504340.db2.gz IOGSJUXEXGVXDO-MOPGFXCFSA-N 1 1 474.491 4.922 20 0 JJADMO CC(C)Cc1nnc(N2CCc3cccc(Br)c3C2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001359821369 1064504547 /nfs/dbraw/zinc/50/45/47/1064504547.db2.gz IOGSJUXEXGVXDO-RBUKOAKNSA-N 1 1 474.491 4.922 20 0 JJADMO CC(C)Cc1nnc(N2CCc3cc(OCC(C)(C)C)ccc3C2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001359823560 1064505870 /nfs/dbraw/zinc/50/58/70/1064505870.db2.gz VLDQCXQHWPGZSH-HXUWFJFHSA-N 1 1 453.675 4.947 20 0 JJADMO CCCc1c(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)nnn1-c1cccc(Cl)c1 ZINC001435090665 1064508074 /nfs/dbraw/zinc/50/80/74/1064508074.db2.gz KHBCLANIKNFXEP-QGZVFWFLSA-N 1 1 453.974 4.519 20 0 JJADMO C[C@H](c1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1)[NH+]1CCOCC1 ZINC001435090067 1064508199 /nfs/dbraw/zinc/50/81/99/1064508199.db2.gz FUUGTIXRDWKXEG-OAHLLOKOSA-N 1 1 458.971 4.514 20 0 JJADMO C[C@@H](CNC(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1)[N@H+]1CCc2ccccc2C1 ZINC001359829188 1064510936 /nfs/dbraw/zinc/51/09/36/1064510936.db2.gz RKFHONQVKOTBND-INIZCTEOSA-N 1 1 455.574 4.929 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1CC[C@](C)(O)c1ccccc1 ZINC001359832182 1064515319 /nfs/dbraw/zinc/51/53/19/1064515319.db2.gz GJSKWGGSAODGPX-GKAFBRTNSA-N 1 1 467.702 4.865 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1CC[C@](C)(O)c1ccccc1 ZINC001359832183 1064515568 /nfs/dbraw/zinc/51/55/68/1064515568.db2.gz GJSKWGGSAODGPX-JPYHZWLXSA-N 1 1 467.702 4.865 20 0 JJADMO CC(C)Cc1nnc(N2CCCN(Cc3ccc(F)cc3)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359841677 1064529122 /nfs/dbraw/zinc/52/91/22/1064529122.db2.gz YABDUCWVCSPXII-FIPFOOKPSA-N 1 1 484.708 4.839 20 0 JJADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)[C@@H](C)C1 ZINC001435130567 1064535454 /nfs/dbraw/zinc/53/54/54/1064535454.db2.gz BCTWTZCGSIFLNQ-NZQKXSOJSA-N 1 1 452.599 4.506 20 0 JJADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)[C@H](C)C1 ZINC001435131310 1064536114 /nfs/dbraw/zinc/53/61/14/1064536114.db2.gz DRQLQOZINICACN-SJLPKXTDSA-N 1 1 454.537 4.503 20 0 JJADMO CC(C)Cc1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CCOc1ccccc1C(C)C ZINC001359855209 1064542741 /nfs/dbraw/zinc/54/27/41/1064542741.db2.gz GIGIYMDXCSNISL-QFIPXVFZSA-N 1 1 453.675 4.990 20 0 JJADMO CC(C)Cc1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001359861107 1064550742 /nfs/dbraw/zinc/55/07/42/1064550742.db2.gz MREOSAQPLONHHJ-OFNKIYASSA-N 1 1 459.704 4.702 20 0 JJADMO CC(C)Cc1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001359861106 1064551358 /nfs/dbraw/zinc/55/13/58/1064551358.db2.gz MREOSAQPLONHHJ-NZQKXSOJSA-N 1 1 459.704 4.702 20 0 JJADMO CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@](C)(O)C1CCCCC1 ZINC001359861363 1064551862 /nfs/dbraw/zinc/55/18/62/1064551862.db2.gz SUUHNIGIKSMSLY-AJTFRIOCSA-N 1 1 453.675 4.519 20 0 JJADMO CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@](C)(O)C1CCCCC1 ZINC001359861364 1064552137 /nfs/dbraw/zinc/55/21/37/1064552137.db2.gz SUUHNIGIKSMSLY-AMGIVPHBSA-N 1 1 453.675 4.519 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@H](c3cccc(Br)c3)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001359866301 1064556885 /nfs/dbraw/zinc/55/68/85/1064556885.db2.gz OUXPAZVQJXUFPD-UGKGYDQZSA-N 1 1 490.490 4.549 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@@](C)(c3ccccc3)C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001359866397 1064557638 /nfs/dbraw/zinc/55/76/38/1064557638.db2.gz QLECMTSTLRHRSV-WNCULLNHSA-N 1 1 453.675 4.883 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(F)c3)C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001359866502 1064558114 /nfs/dbraw/zinc/55/81/14/1064558114.db2.gz SQIALRKTAOFJHF-XUZZJYLKSA-N 1 1 457.638 4.562 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@H](c3ccco3)C2)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001359869192 1064561716 /nfs/dbraw/zinc/56/17/16/1064561716.db2.gz UFYXMNDQZAURHE-URXFXBBRSA-N 1 1 451.615 4.558 20 0 JJADMO CC(C)Cc1nnc(Nc2cnn([C@@H]3CC3(F)F)c2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001359877137 1064567261 /nfs/dbraw/zinc/56/72/61/1064567261.db2.gz MTIBBVSVBJHNIH-RTBURBONSA-N 1 1 463.964 4.953 20 0 JJADMO CC(C)C[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001359879079 1064570738 /nfs/dbraw/zinc/57/07/38/1064570738.db2.gz OYKKQSJDLNPTJW-XFAFFCHDSA-N 1 1 475.722 4.559 20 0 JJADMO CN(C(=O)c1ccc(NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC001435188765 1064577662 /nfs/dbraw/zinc/57/76/62/1064577662.db2.gz NUMPJVLWQXLZOM-AHWVRZQESA-N 1 1 457.574 4.612 20 0 JJADMO CN(C(=O)c1ccc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001435188701 1064577804 /nfs/dbraw/zinc/57/78/04/1064577804.db2.gz NSRHEIXFXFXQKW-QGZVFWFLSA-N 1 1 453.892 4.777 20 0 JJADMO CC(C)C[C@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2CC[N@@H+](C)C(C)C)C1 ZINC001359885440 1064580211 /nfs/dbraw/zinc/58/02/11/1064580211.db2.gz ARYKEOLDQAUZKP-LJQANCHMSA-N 1 1 478.479 4.832 20 0 JJADMO CC(C)C[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001359886437 1064582038 /nfs/dbraw/zinc/58/20/38/1064582038.db2.gz LXWLZAHUZKAFDT-FGZHOGPDSA-N 1 1 486.730 4.510 20 0 JJADMO CN(C(=O)c1ccc(NC(=O)C2(c3cc(F)cc(F)c3)CCCC2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001435196092 1064584042 /nfs/dbraw/zinc/58/40/42/1064584042.db2.gz QSAPHVAGYMHAQF-HSZRJFAPSA-N 1 1 455.549 4.582 20 0 JJADMO CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001359889328 1064587476 /nfs/dbraw/zinc/58/74/76/1064587476.db2.gz ALGAJOQIFPMUQG-RUZDIDTESA-N 1 1 475.081 4.635 20 0 JJADMO C[C@H]1C[C@H](N(C)C(=O)COc2ccccc2OCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001435204606 1064590701 /nfs/dbraw/zinc/59/07/01/1064590701.db2.gz RLXFHCGCAFNEJJ-AZUAARDMSA-N 1 1 450.501 4.518 20 0 JJADMO C[C@H]1C[C@@H](N(C)C(=O)COc2ccccc2OCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001435204607 1064590997 /nfs/dbraw/zinc/59/09/97/1064590997.db2.gz RLXFHCGCAFNEJJ-ICSRJNTNSA-N 1 1 450.501 4.518 20 0 JJADMO CC(C)CC[C@](C)(O)Cn1c(-c2ccccc2Br)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001359891676 1064593259 /nfs/dbraw/zinc/59/32/59/1064593259.db2.gz VYDMRSMGINVMBG-JXQFQVJHSA-N 1 1 490.490 4.568 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCc3ccc(F)cc3C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545889618 1064604556 /nfs/dbraw/zinc/60/45/56/1064604556.db2.gz BYEPQLZOKQQXSB-OYRHEFFESA-N 1 1 498.691 4.656 20 0 JJADMO CC(C)CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001359901753 1064611513 /nfs/dbraw/zinc/61/15/13/1064611513.db2.gz BXCFZUZFHDRIJB-UTKZUKDTSA-N 1 1 466.457 4.845 20 0 JJADMO CC(C)C[C@@H](C)Oc1cc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)ccn1 ZINC001435232962 1064612925 /nfs/dbraw/zinc/61/29/25/1064612925.db2.gz JVKLBGYIKYNQEP-AGILITTLSA-N 1 1 478.662 4.884 20 0 JJADMO CC(C)C[C@H](C)Oc1cc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)ccn1 ZINC001435232963 1064613138 /nfs/dbraw/zinc/61/31/38/1064613138.db2.gz JVKLBGYIKYNQEP-TUACAJSNSA-N 1 1 478.662 4.884 20 0 JJADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)[C@H](C)C1 ZINC001435249709 1064626566 /nfs/dbraw/zinc/62/65/66/1064626566.db2.gz XVTFTPCPHZPQSH-IIBYNOLFSA-N 1 1 458.400 4.504 20 0 JJADMO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC001435252606 1064629244 /nfs/dbraw/zinc/62/92/44/1064629244.db2.gz BACJHZNFMBNPHZ-KRWDZBQOSA-N 1 1 455.027 4.712 20 0 JJADMO COc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1OCc1ccc(Cl)cc1Cl ZINC001435253052 1064629353 /nfs/dbraw/zinc/62/93/53/1064629353.db2.gz ACSDUQZLCXIEPQ-QRWLVFNGSA-N 1 1 451.394 4.993 20 0 JJADMO CC(C)CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001359914075 1064633012 /nfs/dbraw/zinc/63/30/12/1064633012.db2.gz BLHUPBJXWDADJJ-GOSISDBHSA-N 1 1 465.484 4.886 20 0 JJADMO CC(C)CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(C)(C)[NH+]1CCOCC1 ZINC001359914477 1064634039 /nfs/dbraw/zinc/63/40/39/1064634039.db2.gz IYBXAVKMBNHBTH-LJQANCHMSA-N 1 1 459.704 4.725 20 0 JJADMO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001435262172 1064638173 /nfs/dbraw/zinc/63/81/73/1064638173.db2.gz SPLBVIGRMKJFLX-MHECFPHRSA-N 1 1 457.043 4.946 20 0 JJADMO CC(C)CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001359918593 1064641747 /nfs/dbraw/zinc/64/17/47/1064641747.db2.gz KZXVYVLNUWHKJT-ZJSXRUAMSA-N 1 1 455.647 4.641 20 0 JJADMO CC(C)CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001359918488 1064641827 /nfs/dbraw/zinc/64/18/27/1064641827.db2.gz IWWSXXSHUYGFSX-XZOQPEGZSA-N 1 1 490.737 4.995 20 0 JJADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1)Oc1cccc(Cl)c1 ZINC001435283458 1064660951 /nfs/dbraw/zinc/66/09/51/1064660951.db2.gz WMJBLDCODLUWIC-MTNREXPMSA-N 1 1 456.011 4.596 20 0 JJADMO CC(C)CCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001359933761 1064676253 /nfs/dbraw/zinc/67/62/53/1064676253.db2.gz XKIMIJPPVUANJC-JXFKEZNVSA-N 1 1 496.881 4.564 20 0 JJADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCCCOc1ccc(Br)cc1 ZINC001435305083 1064679393 /nfs/dbraw/zinc/67/93/93/1064679393.db2.gz QXEMYKNEHIYXNU-OAQYLSRUSA-N 1 1 459.428 4.979 20 0 JJADMO CC(C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001359943507 1064688402 /nfs/dbraw/zinc/68/84/02/1064688402.db2.gz BNFCJVFZDRPDHU-QHCPKHFHSA-N 1 1 482.456 4.511 20 0 JJADMO CC(C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001359944241 1064689907 /nfs/dbraw/zinc/68/99/07/1064689907.db2.gz QGTJLQMUANPUDD-UHFFFAOYSA-N 1 1 471.690 4.748 20 0 JJADMO CC(C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001359944241 1064689912 /nfs/dbraw/zinc/68/99/12/1064689912.db2.gz QGTJLQMUANPUDD-UHFFFAOYSA-N 1 1 471.690 4.748 20 0 JJADMO Cc1c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cnn1-c1cccc(C(F)(F)F)c1 ZINC001435336665 1064707434 /nfs/dbraw/zinc/70/74/34/1064707434.db2.gz BLRKBNUKUJSSPL-UZUQRXQVSA-N 1 1 456.512 4.840 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N(C)[C@@H]3CCSC3)n2CC[N@@H+]2CC=CCC2)cc1 ZINC001359951212 1064708861 /nfs/dbraw/zinc/70/88/61/1064708861.db2.gz UFYRTSJNDCPCSE-JOCHJYFZSA-N 1 1 455.672 4.574 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCCC(=O)N(C)C)cc1 ZINC001359952459 1064715891 /nfs/dbraw/zinc/71/58/91/1064715891.db2.gz WMOMMAOOVMTCMX-UHFFFAOYSA-N 1 1 498.716 4.549 20 0 JJADMO CC(C)CCOC1CCN(c2nnc(C(C)C)n2Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CC1 ZINC001359954753 1064721628 /nfs/dbraw/zinc/72/16/28/1064721628.db2.gz OZAVICXLMFLJFP-QHCPKHFHSA-N 1 1 483.701 4.702 20 0 JJADMO CC(C)CCOC1CCN(c2nnc(C(C)C)n2Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CC1 ZINC001359954753 1064721642 /nfs/dbraw/zinc/72/16/42/1064721642.db2.gz OZAVICXLMFLJFP-QHCPKHFHSA-N 1 1 483.701 4.702 20 0 JJADMO COc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)sc1Br ZINC001359956826 1064725192 /nfs/dbraw/zinc/72/51/92/1064725192.db2.gz ABCHURLVRYNXHK-OAHLLOKOSA-N 1 1 457.821 4.957 20 0 JJADMO COc1cc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)sc1Br ZINC001359956826 1064725205 /nfs/dbraw/zinc/72/52/05/1064725205.db2.gz ABCHURLVRYNXHK-OAHLLOKOSA-N 1 1 457.821 4.957 20 0 JJADMO CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)nc1 ZINC001359957501 1064725742 /nfs/dbraw/zinc/72/57/42/1064725742.db2.gz VGQUWSVKBAIUDR-HXUWFJFHSA-N 1 1 458.990 4.867 20 0 JJADMO CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)nc1 ZINC001359957501 1064725754 /nfs/dbraw/zinc/72/57/54/1064725754.db2.gz VGQUWSVKBAIUDR-HXUWFJFHSA-N 1 1 458.990 4.867 20 0 JJADMO CC(C)CCOCCn1c(-c2ccccc2Cl)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001359965367 1064740947 /nfs/dbraw/zinc/74/09/47/1064740947.db2.gz ZBAZQUVXHOCEQN-HXUWFJFHSA-N 1 1 460.066 4.972 20 0 JJADMO CC(C)CCOCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001359966979 1064742185 /nfs/dbraw/zinc/74/21/85/1064742185.db2.gz IPCREKWZPSMGAF-HJOGWXRNSA-N 1 1 461.695 4.673 20 0 JJADMO Cc1cccc(-n2ncc(C(=O)Nc3ccc([C@H](C)[NH+]4CCOCC4)cc3)c2C(F)(F)F)c1 ZINC001359968602 1064744414 /nfs/dbraw/zinc/74/44/14/1064744414.db2.gz BKJNGCBYBSIARZ-KRWDZBQOSA-N 1 1 458.484 4.845 20 0 JJADMO COc1ccc(-c2nc(C)c(C(=O)Nc3ccc([C@H](C)[NH+]4CCOCC4)cc3)s2)c(F)c1 ZINC001359968960 1064744847 /nfs/dbraw/zinc/74/48/47/1064744847.db2.gz NJOOCZHKTXZPRK-INIZCTEOSA-N 1 1 455.555 4.912 20 0 JJADMO C[C@@H](CCNC(=O)c1ccc(Br)c(OC(F)(F)F)c1)[N@@H+](C)Cc1ccccc1 ZINC001435421705 1064750044 /nfs/dbraw/zinc/75/00/44/1064750044.db2.gz GAAQEGFQBKYJRK-AWEZNQCLSA-N 1 1 459.306 4.988 20 0 JJADMO COc1ccc(-c2nc(C)c(C(=O)NCC[C@@H](C)[N@@H+](C)Cc3ccccc3)s2)cc1OC ZINC001435422961 1064750347 /nfs/dbraw/zinc/75/03/47/1064750347.db2.gz MDVTZIGJVVNLKI-QGZVFWFLSA-N 1 1 453.608 4.776 20 0 JJADMO CC(C)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359973479 1064750836 /nfs/dbraw/zinc/75/08/36/1064750836.db2.gz UIJLUHADMMXGMW-BGYRXZFFSA-N 1 1 459.704 4.867 20 0 JJADMO CC(C)CN(c1nnc(C(=O)N2CCCC2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CCCC1 ZINC001359982361 1064756938 /nfs/dbraw/zinc/75/69/38/1064756938.db2.gz APWQGFVCLLSLHX-ZRZAMGCNSA-N 1 1 472.722 4.677 20 0 JJADMO CC[C@@H](NC(=O)c1ccc(C(F)(F)C(F)(F)F)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435453875 1064766063 /nfs/dbraw/zinc/76/60/63/1064766063.db2.gz AILTXHBKRWVCPX-UXHICEINSA-N 1 1 456.455 4.750 20 0 JJADMO CC[C@@H](NC(=O)c1ccc(C(F)(F)C(F)(F)F)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435453875 1064766076 /nfs/dbraw/zinc/76/60/76/1064766076.db2.gz AILTXHBKRWVCPX-UXHICEINSA-N 1 1 456.455 4.750 20 0 JJADMO CC(C)CN(c1nnc(-c2ccccn2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCCC1 ZINC001359986159 1064766471 /nfs/dbraw/zinc/76/64/71/1064766471.db2.gz ASSSDZNVJBHHDI-OYRHEFFESA-N 1 1 454.663 4.633 20 0 JJADMO CC(C)CN(c1nnc(-c2ccccc2F)n1CCN1CC[N@@H+](C)C(C)(C)C1)C1CCCC1 ZINC001359986488 1064767555 /nfs/dbraw/zinc/76/75/55/1064767555.db2.gz NRWKFDHYKAJUEU-UHFFFAOYSA-N 1 1 456.654 4.515 20 0 JJADMO CC(C)CN(c1nnc(-c2ccccc2F)n1CC[N@@H+]1CCN(C)C(C)(C)C1)C1CCCC1 ZINC001359986488 1064767569 /nfs/dbraw/zinc/76/75/69/1064767569.db2.gz NRWKFDHYKAJUEU-UHFFFAOYSA-N 1 1 456.654 4.515 20 0 JJADMO CC(C)CN(c1nnc(-c2ccccc2F)n1CC[N@H+]1CCN(C)C(C)(C)C1)C1CCCC1 ZINC001359986488 1064767583 /nfs/dbraw/zinc/76/75/83/1064767583.db2.gz NRWKFDHYKAJUEU-UHFFFAOYSA-N 1 1 456.654 4.515 20 0 JJADMO CC(C)CN(c1nnc(-c2c[nH]c3ccccc23)n1CCC[N@H+]1CCCO[C@@H](C)C1)C(C)C ZINC001359987155 1064768254 /nfs/dbraw/zinc/76/82/54/1064768254.db2.gz MAYKOLIGKGFOSZ-NRFANRHFSA-N 1 1 452.647 4.798 20 0 JJADMO CC(C)CN(c1nnc(-c2noc3c2COCC3)n1CCCC[N@H+]1CCCC[C@H]1C)C(C)C ZINC001359987704 1064768647 /nfs/dbraw/zinc/76/86/47/1064768647.db2.gz UIHOPAYTDWNQGL-HXUWFJFHSA-N 1 1 458.651 4.531 20 0 JJADMO CC(C)CN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001359989261 1064770386 /nfs/dbraw/zinc/77/03/86/1064770386.db2.gz HQRJFQFEANZDHJ-FGZHOGPDSA-N 1 1 499.704 4.723 20 0 JJADMO CC(C)CN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1)C(C)C ZINC001359993108 1064776043 /nfs/dbraw/zinc/77/60/43/1064776043.db2.gz NRMKLHIRXSHJGE-OAQYLSRUSA-N 1 1 494.709 4.587 20 0 JJADMO 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CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1csc(-c2cccs2)n1 ZINC001435625273 1064886591 /nfs/dbraw/zinc/88/65/91/1064886591.db2.gz PJGKAEXYSCZDSC-UWJYYQICSA-N 1 1 454.665 4.877 20 0 JJADMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1csc(-c2cccs2)n1 ZINC001435625273 1064886600 /nfs/dbraw/zinc/88/66/00/1064886600.db2.gz PJGKAEXYSCZDSC-UWJYYQICSA-N 1 1 454.665 4.877 20 0 JJADMO CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001360056451 1064887917 /nfs/dbraw/zinc/88/79/17/1064887917.db2.gz CQLGQPUOBTWBRX-APWZRJJASA-N 1 1 466.457 4.986 20 0 JJADMO CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001360056670 1064888763 /nfs/dbraw/zinc/88/87/63/1064888763.db2.gz FAKPKSMQEIHPBC-TXTKFYIRSA-N 1 1 460.066 4.970 20 0 JJADMO CC(C)CO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001360063893 1064904584 /nfs/dbraw/zinc/90/45/84/1064904584.db2.gz SVCSWJCBVMPGBV-NRFANRHFSA-N 1 1 475.628 4.663 20 0 JJADMO C[C@H](Oc1cccc(Br)c1)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001435658468 1064913616 /nfs/dbraw/zinc/91/36/16/1064913616.db2.gz ZKQDYOKZIWFACQ-FEWCVYDTSA-N 1 1 457.412 4.633 20 0 JJADMO CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(C[N@@H+](C[C@H]3CCCCO3)C(C)C)cc2)c1 ZINC001435672324 1064925178 /nfs/dbraw/zinc/92/51/78/1064925178.db2.gz FMQUFLFWKAOEAZ-HSZRJFAPSA-N 1 1 458.624 4.512 20 0 JJADMO CC(C)CSCCCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001360076421 1064925864 /nfs/dbraw/zinc/92/58/64/1064925864.db2.gz PBDONFAGJTXEHQ-UHFFFAOYSA-N 1 1 456.635 4.514 20 0 JJADMO CCC[C@H]1CN(C(=O)COc2ccccc2OCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001435672560 1064926005 /nfs/dbraw/zinc/92/60/05/1064926005.db2.gz HVYDFTRGAQEKJF-FQEVSTJZSA-N 1 1 450.501 4.520 20 0 JJADMO CC(C)CSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001360080096 1064936580 /nfs/dbraw/zinc/93/65/80/1064936580.db2.gz AFMHOPFGMCGKRS-PMACEKPBSA-N 1 1 461.651 4.621 20 0 JJADMO CC(C)CSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001360080099 1064936631 /nfs/dbraw/zinc/93/66/31/1064936631.db2.gz AFMHOPFGMCGKRS-WOJBJXKFSA-N 1 1 461.651 4.621 20 0 JJADMO CC(C)CSCCn1c(-c2ccc[nH]2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001360083054 1064944690 /nfs/dbraw/zinc/94/46/90/1064944690.db2.gz VMVSQVNBVQCGRT-JOCHJYFZSA-N 1 1 452.672 4.763 20 0 JJADMO CC(C)CSCCn1c(-c2cnn(C)c2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001360083623 1064945907 /nfs/dbraw/zinc/94/59/07/1064945907.db2.gz MWZYTUJHQSXOAF-NRFANRHFSA-N 1 1 473.735 4.549 20 0 JJADMO C[C@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001435702226 1064947078 /nfs/dbraw/zinc/94/70/78/1064947078.db2.gz IYPUBNNCAIECOL-LPHOPBHVSA-N 1 1 456.999 4.509 20 0 JJADMO CC(C)CSCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001360087143 1064951547 /nfs/dbraw/zinc/95/15/47/1064951547.db2.gz MQYAFZFFBIAOQB-DHIUTWEWSA-N 1 1 470.731 4.744 20 0 JJADMO CC(C)CSCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001360087764 1064953253 /nfs/dbraw/zinc/95/32/53/1064953253.db2.gz YMWAMDUWVVKCNR-UHFFFAOYSA-N 1 1 468.715 4.981 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCCCO)CC1 ZINC001360092506 1064961519 /nfs/dbraw/zinc/96/15/19/1064961519.db2.gz IAYGHLNUYBTKDR-UHFFFAOYSA-N 1 1 496.469 4.566 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001360092592 1064962117 /nfs/dbraw/zinc/96/21/17/1064962117.db2.gz LIYLBNMARNSRNY-RCZVLFRGSA-N 1 1 451.659 4.853 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCCS2)CC1 ZINC001360092605 1064962833 /nfs/dbraw/zinc/96/28/33/1064962833.db2.gz LYAKGKPOQCZNEQ-OAQYLSRUSA-N 1 1 479.641 4.999 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCCS2)CC1 ZINC001360092604 1064963131 /nfs/dbraw/zinc/96/31/31/1064963131.db2.gz LYAKGKPOQCZNEQ-NRFANRHFSA-N 1 1 479.641 4.999 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(C2CCCC2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001360092760 1064963835 /nfs/dbraw/zinc/96/38/35/1064963835.db2.gz RURHNHPVUWOZAL-NRFANRHFSA-N 1 1 465.564 4.592 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(Cc2ccsc2)nnc1N(C)C[C@H]1CCCCO1 ZINC001360092925 1064964709 /nfs/dbraw/zinc/96/47/09/1064964709.db2.gz XQGRDLSIMVLXHR-XMMPIXPASA-N 1 1 467.683 4.824 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCCN(c2nccs2)CC1 ZINC001360092965 1064965347 /nfs/dbraw/zinc/96/53/47/1064965347.db2.gz ZERGFCAIAIYPHJ-UHFFFAOYSA-N 1 1 495.741 4.928 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(C3CCC3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 ZINC001360094568 1064965814 /nfs/dbraw/zinc/96/58/14/1064965814.db2.gz DWXKXOIPBHECRR-HSZRJFAPSA-N 1 1 474.644 4.683 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccccc2OC(F)F)CC1 ZINC001360094801 1064966757 /nfs/dbraw/zinc/96/67/57/1064966757.db2.gz MENZMNLBGUAKHO-QFIPXVFZSA-N 1 1 477.600 4.726 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(OC(F)(F)F)cc2)CC1 ZINC001360094789 1064966788 /nfs/dbraw/zinc/96/67/88/1064966788.db2.gz LVNMLSIOKHLGQO-UHFFFAOYSA-N 1 1 490.574 4.971 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001360094953 1064967866 /nfs/dbraw/zinc/96/78/66/1064967866.db2.gz QZJDJHGYQMGPHF-HXUWFJFHSA-N 1 1 496.597 4.525 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(F)c(Cl)c2)CC1 ZINC001360094905 1064967922 /nfs/dbraw/zinc/96/79/22/1064967922.db2.gz PFQHPIIFLLMDQV-UHFFFAOYSA-N 1 1 456.997 4.738 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCCO3)n2CCCSc2ccccc2)CC1 ZINC001360095687 1064970163 /nfs/dbraw/zinc/97/01/63/1064970163.db2.gz OLRVZPFJSRALKL-HSZRJFAPSA-N 1 1 457.688 4.869 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC2(F)CCC2)CC1 ZINC001360095680 1064970186 /nfs/dbraw/zinc/97/01/86/1064970186.db2.gz NWUUAYVLTPJGST-UHFFFAOYSA-N 1 1 463.592 4.986 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(CC3CCCC3)n2Cc2nnc(C(C)(C)C)s2)CC1 ZINC001360095651 1064970205 /nfs/dbraw/zinc/97/02/05/1064970205.db2.gz MWACEQPWPDSOBA-UHFFFAOYSA-N 1 1 473.735 4.765 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccncc3)n2CCOC2CCCCCC2)CC1 ZINC001360095704 1064970707 /nfs/dbraw/zinc/97/07/07/1064970707.db2.gz PHNKUBWNLNWVKY-UHFFFAOYSA-N 1 1 468.690 4.560 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](O)CC2(CCCC2)C1 ZINC001360097329 1064974006 /nfs/dbraw/zinc/97/40/06/1064974006.db2.gz CUNZMNPFZCEKFE-OAQYLSRUSA-N 1 1 490.490 4.569 20 0 JJADMO C[N@@H+]1CC[C@H](CNC(=O)c2cn3cc(Cl)cc(Cl)c3n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435749989 1064974071 /nfs/dbraw/zinc/97/40/71/1064974071.db2.gz PKWJYLJYTNBIDJ-XIKOKIGWSA-N 1 1 455.748 4.856 20 0 JJADMO C[N@H+]1CC[C@H](CNC(=O)c2cn3cc(Cl)cc(Cl)c3n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435749989 1064974081 /nfs/dbraw/zinc/97/40/81/1064974081.db2.gz PKWJYLJYTNBIDJ-XIKOKIGWSA-N 1 1 455.748 4.856 20 0 JJADMO C[N@H+]1CC[C@H](CNC(=O)c2cccc(OCc3cscn3)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435750533 1064975261 /nfs/dbraw/zinc/97/52/61/1064975261.db2.gz RLRWGAWRVSTVGQ-VGOFRKELSA-N 1 1 459.974 4.937 20 0 JJADMO C[N@H+]1CC[C@@H](CNC(=O)c2cccc(OCc3cccnc3)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435750866 1064975506 /nfs/dbraw/zinc/97/55/06/1064975506.db2.gz UFCCMEVFOIVTKD-GBXCKJPGSA-N 1 1 453.945 4.876 20 0 JJADMO CC(C)c1c(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cnn1-c1ccccn1 ZINC001435751871 1064976302 /nfs/dbraw/zinc/97/63/02/1064976302.db2.gz ZTEOMFXGVVKNKI-SBUREZEXSA-N 1 1 455.965 4.606 20 0 JJADMO CC(C)c1c(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cnn1-c1ccccn1 ZINC001435751871 1064976318 /nfs/dbraw/zinc/97/63/18/1064976318.db2.gz ZTEOMFXGVVKNKI-SBUREZEXSA-N 1 1 455.965 4.606 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001360097959 1064977040 /nfs/dbraw/zinc/97/70/40/1064977040.db2.gz WNMFRCOGNAUGNV-UTKZUKDTSA-N 1 1 466.457 4.988 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](OCC2CC2)C1 ZINC001360098261 1064977147 /nfs/dbraw/zinc/97/71/47/1064977147.db2.gz MKSDRJOOCZDPMR-FQEVSTJZSA-N 1 1 490.490 4.833 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001360098521 1064978165 /nfs/dbraw/zinc/97/81/65/1064978165.db2.gz WHKPNCGBHQYVLS-JOCHJYFZSA-N 1 1 488.558 4.667 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001360099938 1064979252 /nfs/dbraw/zinc/97/92/52/1064979252.db2.gz DUEGGBHQIFKSIL-OAQYLSRUSA-N 1 1 493.700 4.535 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC001360101223 1064980999 /nfs/dbraw/zinc/98/09/99/1064980999.db2.gz ITPSOWOARRWJFP-DHIUTWEWSA-N 1 1 474.093 4.896 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccsc2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 ZINC001360101417 1064981675 /nfs/dbraw/zinc/98/16/75/1064981675.db2.gz OHWVLLSBEMUKJN-FQEVSTJZSA-N 1 1 474.074 4.972 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)Cc1ccccn1 ZINC001360104139 1064984816 /nfs/dbraw/zinc/98/48/16/1064984816.db2.gz KVPJWIGGUNVHID-UHFFFAOYSA-N 1 1 477.838 4.733 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N(Cc1ccc(F)cc1F)C1CC1 ZINC001360104111 1064985026 /nfs/dbraw/zinc/98/50/26/1064985026.db2.gz KEYPGROXUJAWBP-UHFFFAOYSA-N 1 1 493.400 4.823 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N(CC1CC1)C1CCC1 ZINC001360104168 1064985270 /nfs/dbraw/zinc/98/52/70/1064985270.db2.gz LVBMJAMTFNHBPB-UHFFFAOYSA-N 1 1 452.466 4.878 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(c2cnn(C)c2)CC1 ZINC001360106694 1064987893 /nfs/dbraw/zinc/98/78/93/1064987893.db2.gz NOKYSGRRORCYGA-UHFFFAOYSA-N 1 1 476.456 4.710 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC001360106827 1064989057 /nfs/dbraw/zinc/98/90/57/1064989057.db2.gz SPGQFPWDUYTRPX-IBGZPJMESA-N 1 1 495.981 4.996 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001360109475 1064990863 /nfs/dbraw/zinc/99/08/63/1064990863.db2.gz FYKYVBYFFLJHKF-JOCHJYFZSA-N 1 1 474.694 4.502 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 ZINC001360109840 1064991410 /nfs/dbraw/zinc/99/14/10/1064991410.db2.gz JPPVDCYVELQPKF-FYYLOGMGSA-N 1 1 488.721 4.749 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC001360109857 1064991877 /nfs/dbraw/zinc/99/18/77/1064991877.db2.gz GALHSYHFRMNJRJ-OAQYLSRUSA-N 1 1 469.630 4.509 20 0 JJADMO Cc1nc(CCC(=O)Nc2c[nH+]ccc2-n2cccn2)oc1-c1ccc(Br)cc1 ZINC001360112554 1064994032 /nfs/dbraw/zinc/99/40/32/1064994032.db2.gz PIPIJFPUBCUCOX-UHFFFAOYSA-N 1 1 452.312 4.565 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CC1CC(F)(F)C1 ZINC001360112452 1064994117 /nfs/dbraw/zinc/99/41/17/1064994117.db2.gz DMCXIUVXRUTWBN-UHFFFAOYSA-N 1 1 463.617 4.976 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)Cc1nccs1 ZINC001360113316 1064995525 /nfs/dbraw/zinc/99/55/25/1064995525.db2.gz WMQLQUFSMFEHHY-UHFFFAOYSA-N 1 1 469.442 4.597 20 0 JJADMO CC(C)[N@@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCc2ccccc2[C@@H]1C ZINC001360113613 1064995543 /nfs/dbraw/zinc/99/55/43/1064995543.db2.gz ILWBKSQZTHDFPO-ILWGZMRPSA-N 1 1 482.673 4.513 20 0 JJADMO CC(C)N(Cc1cccc(F)c1)c1nnc(Cc2ccsc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001360118648 1065004996 /nfs/dbraw/zinc/00/49/96/1065004996.db2.gz MXEWUBCCTLPLBD-UHFFFAOYSA-N 1 1 471.646 4.595 20 0 JJADMO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC001360121900 1065010900 /nfs/dbraw/zinc/01/09/00/1065010900.db2.gz MZJXKZMETWEPSU-QGZVFWFLSA-N 1 1 454.571 4.774 20 0 JJADMO C[C@@H](NC(=O)Cc1ccc(Br)c(Br)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001435852450 1065024345 /nfs/dbraw/zinc/02/43/45/1065024345.db2.gz OUFCTGHCGPNYOA-UKRRQHHQSA-N 1 1 458.238 4.523 20 0 JJADMO CCCN(C(=O)c1cccc(NC(=O)OC(C)(C)C)n1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001360130267 1065025795 /nfs/dbraw/zinc/02/57/95/1065025795.db2.gz XCSKXPRKHHIKIE-OAQYLSRUSA-N 1 1 452.599 4.945 20 0 JJADMO CC(C)[NH+](CCn1c(Cc2ccsc2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C)C(C)C ZINC001360135288 1065031488 /nfs/dbraw/zinc/03/14/88/1065031488.db2.gz URXIYKCBAXFBOV-HSZRJFAPSA-N 1 1 480.726 4.760 20 0 JJADMO COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)c(OCCC(C)C)c1 ZINC001435864911 1065032097 /nfs/dbraw/zinc/03/20/97/1065032097.db2.gz HFMANNVQIJBEMC-JWQCQUIFSA-N 1 1 459.675 4.529 20 0 JJADMO CN(C(=O)c1cc(-c2ccccn2)ccc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001435865433 1065032974 /nfs/dbraw/zinc/03/29/74/1065032974.db2.gz MJDZDYGIRDCFGK-RPBOFIJWSA-N 1 1 455.046 4.811 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CCn2cccn2)C1 ZINC001360138291 1065033982 /nfs/dbraw/zinc/03/39/82/1065033982.db2.gz CUQJILLKQWWAOX-SFHVURJKSA-N 1 1 476.456 4.705 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3ccccc3Br)nnc2N(C)C[C@@H]2CCCOC2)C1 ZINC001360138293 1065034159 /nfs/dbraw/zinc/03/41/59/1065034159.db2.gz CWHJNTAXFKCGDX-PMACEKPBSA-N 1 1 490.490 4.691 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(Br)cc2)C1 ZINC001360138496 1065034374 /nfs/dbraw/zinc/03/43/74/1065034374.db2.gz HCHCFSHVXNZKCP-IBGZPJMESA-N 1 1 471.447 4.793 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(C3CCC3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)C1 ZINC001360138801 1065034744 /nfs/dbraw/zinc/03/47/44/1065034744.db2.gz KAELZEAWGZOMAP-OAHLLOKOSA-N 1 1 456.582 4.778 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3ccc(F)cc3Br)nnc2N(C)CCCCCO)C1 ZINC001360138688 1065034788 /nfs/dbraw/zinc/03/47/88/1065034788.db2.gz JHOFZSJEEUCORU-GOSISDBHSA-N 1 1 496.469 4.566 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(C3CCC3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)C1 ZINC001360138800 1065034869 /nfs/dbraw/zinc/03/48/69/1065034869.db2.gz KAELZEAWGZOMAP-HNNXBMFYSA-N 1 1 456.582 4.778 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cnccn3)nnc2N(C)Cc2ccccc2C(F)(F)F)C1 ZINC001360139046 1065035795 /nfs/dbraw/zinc/03/57/95/1065035795.db2.gz NHCSGWLHRUJVEZ-GOSISDBHSA-N 1 1 473.547 4.511 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(COc3ccccc3F)nnc2N2CCC(OC(C)(C)C)CC2)C1 ZINC001360140256 1065037113 /nfs/dbraw/zinc/03/71/13/1065037113.db2.gz AXBGFJKHEPYZPA-NRFANRHFSA-N 1 1 487.664 4.901 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCCC2(C)C)C1 ZINC001360140604 1065038327 /nfs/dbraw/zinc/03/83/27/1065038327.db2.gz HIYIBWNCYZXVGF-NJYVYQBISA-N 1 1 474.694 4.548 20 0 JJADMO Cc1ccc(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)cc1NC(=O)c1ccccc1 ZINC001435875431 1065038325 /nfs/dbraw/zinc/03/83/25/1065038325.db2.gz IMFHZPWTIAIRAC-DEOSSOPVSA-N 1 1 459.615 4.595 20 0 JJADMO Cc1ccc(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)cc1NC(=O)c1ccccc1 ZINC001435875431 1065038340 /nfs/dbraw/zinc/03/83/40/1065038340.db2.gz IMFHZPWTIAIRAC-DEOSSOPVSA-N 1 1 459.615 4.595 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3ccccc3F)nnc2N2CCO[C@](C)(C(C)(C)C)C2)C1 ZINC001360141082 1065039597 /nfs/dbraw/zinc/03/95/97/1065039597.db2.gz MAYDFRHWEPOKRR-IDISGSTGSA-N 1 1 471.665 4.770 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)CCCCc2ccccc2)C1 ZINC001360141637 1065040872 /nfs/dbraw/zinc/04/08/72/1065040872.db2.gz QYBJIYVWSUGGIR-LOSJGSFVSA-N 1 1 453.675 4.752 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)C1 ZINC001360142230 1065041815 /nfs/dbraw/zinc/04/18/15/1065041815.db2.gz VOTWSVOOPZPGPK-AJTFRIOCSA-N 1 1 488.120 4.824 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCCC2(F)F)CC1 ZINC001360143257 1065043197 /nfs/dbraw/zinc/04/31/97/1065043197.db2.gz CJHVBVHVMRWUIV-SFHVURJKSA-N 1 1 452.981 4.740 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCOc2ccccc2Cl)CC1 ZINC001360143885 1065044625 /nfs/dbraw/zinc/04/46/25/1065044625.db2.gz OVPGIKWTRXZNHS-UHFFFAOYSA-N 1 1 475.424 4.646 20 0 JJADMO O=C(/C=C(\c1ccc(Cl)cc1)C(F)(F)F)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001435888827 1065046119 /nfs/dbraw/zinc/04/61/19/1065046119.db2.gz FYMMTYSKGGMBJZ-TTYLXTBDSA-N 1 1 452.904 4.693 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCSC2)CC1 ZINC001360144299 1065046037 /nfs/dbraw/zinc/04/60/37/1065046037.db2.gz YUARWAJUCLXVKN-INIZCTEOSA-N 1 1 482.467 4.520 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccnc(C(F)(F)F)c2)CC1 ZINC001360146675 1065048566 /nfs/dbraw/zinc/04/85/66/1065048566.db2.gz SIIJISVSHSPJQO-UHFFFAOYSA-N 1 1 494.512 4.530 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(Cl)nc2)CC1 ZINC001360146764 1065048646 /nfs/dbraw/zinc/04/86/46/1065048646.db2.gz VZUJGMPWEAGBBM-UHFFFAOYSA-N 1 1 459.425 4.540 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2OCCC2(C)C)CC1 ZINC001360147163 1065049247 /nfs/dbraw/zinc/04/92/47/1065049247.db2.gz KFUMYFROALLYAU-NRFANRHFSA-N 1 1 478.106 4.959 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(Cc3ccsc3)n2Cc2ccccc2OCC(F)(F)F)CC1 ZINC001360147124 1065049531 /nfs/dbraw/zinc/04/95/31/1065049531.db2.gz IZZWZCMGGRPKDX-UHFFFAOYSA-N 1 1 493.599 4.840 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCc2ccncc2)CC1 ZINC001360147292 1065049951 /nfs/dbraw/zinc/04/99/51/1065049951.db2.gz PEOOHJQPLANAKT-UHFFFAOYSA-N 1 1 489.451 4.722 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC2=CCCCC2)CC1 ZINC001360147482 1065050174 /nfs/dbraw/zinc/05/01/74/1065050174.db2.gz XXNHMURQLPBJFH-ZRZAMGCNSA-N 1 1 486.705 4.860 20 0 JJADMO Cc1ccc(-n2ncc(C(=O)Nc3ccc([C@@H](C)[NH+]4CCOCC4)cc3)c2C(F)(F)F)cc1 ZINC001360148878 1065051798 /nfs/dbraw/zinc/05/17/98/1065051798.db2.gz RDKTXEJVNHTQBN-QGZVFWFLSA-N 1 1 458.484 4.845 20 0 JJADMO CC(C)N1CC[NH+](C2CCN(c3nnc(CC(C)(C)C)n3CC(C)(C)c3cccc(F)c3)CC2)CC1 ZINC001360155597 1065057412 /nfs/dbraw/zinc/05/74/12/1065057412.db2.gz BNYJWXBFZNSZDK-UHFFFAOYSA-N 1 1 498.735 4.978 20 0 JJADMO CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2cccs2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001360163099 1065061600 /nfs/dbraw/zinc/06/16/00/1065061600.db2.gz ZFZQJXYTIJZIHC-QFBILLFUSA-N 1 1 475.062 4.632 20 0 JJADMO C[NH+](C)[C@@H](C(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)c1cccc(Cl)c1 ZINC001435935580 1065071147 /nfs/dbraw/zinc/07/11/47/1065071147.db2.gz YLNBHSSHHPMTGG-BJKOFHAPSA-N 1 1 450.966 4.586 20 0 JJADMO CC(C)NC(=O)c1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1CCCC1CCCC1 ZINC001360203939 1065079783 /nfs/dbraw/zinc/07/97/83/1065079783.db2.gz VURZTEGBHPSODX-JOCHJYFZSA-N 1 1 472.722 4.868 20 0 JJADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2ccc(I)cn2)c1 ZINC001360220780 1065086114 /nfs/dbraw/zinc/08/61/14/1065086114.db2.gz TVNHIRCYHNGPTJ-UHFFFAOYSA-N 1 1 457.315 4.571 20 0 JJADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1CC(C)(C)c1ccc(F)cc1 ZINC001360222258 1065087179 /nfs/dbraw/zinc/08/71/79/1065087179.db2.gz NFYQIJXOVGIMLA-VXKWHMMOSA-N 1 1 498.691 4.624 20 0 JJADMO CC(C)NC(=O)c1nnc(N2CCC[C@H]2c2cccs2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001360226094 1065089068 /nfs/dbraw/zinc/08/90/68/1065089068.db2.gz GQXRYRMWTWYHHI-PMACEKPBSA-N 1 1 487.073 4.776 20 0 JJADMO Cc1c(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001435995072 1065099059 /nfs/dbraw/zinc/09/90/59/1065099059.db2.gz GVHYLAURFFLJFD-HSZRJFAPSA-N 1 1 456.512 4.840 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)OCc3c(F)ccc(Br)c3F)cc2)C[C@H](C)O1 ZINC001436033799 1065131535 /nfs/dbraw/zinc/13/15/35/1065131535.db2.gz MMPNAEVGCFBQEY-OKILXGFUSA-N 1 1 454.311 4.694 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)OCc3c(F)ccc(Br)c3F)cc2)C[C@H](C)O1 ZINC001436033799 1065131537 /nfs/dbraw/zinc/13/15/37/1065131537.db2.gz MMPNAEVGCFBQEY-OKILXGFUSA-N 1 1 454.311 4.694 20 0 JJADMO CCCCc1nc(C)c(CC(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)s1 ZINC001436063331 1065154883 /nfs/dbraw/zinc/15/48/83/1065154883.db2.gz VAHIXMPJYKDNMM-UHFFFAOYSA-N 1 1 452.624 4.772 20 0 JJADMO CC(C)O[C@]1(c2nnc(N(C)C3CCCCC3)n2CCCC[N@H+]2CCCC[C@@H]2C)CCOC1 ZINC001360320871 1065157977 /nfs/dbraw/zinc/15/79/77/1065157977.db2.gz GZCILCYOSYUBEK-BKMJKUGQSA-N 1 1 461.695 4.742 20 0 JJADMO CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CCOC1 ZINC001360324304 1065162854 /nfs/dbraw/zinc/16/28/54/1065162854.db2.gz NKAHHGMIOCAUHT-YADARESESA-N 1 1 496.121 4.790 20 0 JJADMO C[C@@]1(CNC(=O)c2cc(-c3ccc(Br)cc3)no2)CC[N@@H+](Cc2ccccc2)C1 ZINC001436095023 1065176326 /nfs/dbraw/zinc/17/63/26/1065176326.db2.gz HBEVOJWFBLIUBS-QHCPKHFHSA-N 1 1 454.368 4.746 20 0 JJADMO CC(C)O[C@]1(c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCCC[N@H+]2CCCC[C@H]2C)CCOC1 ZINC001360332635 1065177622 /nfs/dbraw/zinc/17/76/22/1065177622.db2.gz BDBBJMBPNZJMEB-AZSVPQILSA-N 1 1 475.722 4.846 20 0 JJADMO CC(C)O[C@@]1(c2nnc(N3CCC(C(C)C)CC3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CCOC1 ZINC001360335568 1065182784 /nfs/dbraw/zinc/18/27/84/1065182784.db2.gz GITJAEDODRVGHB-LXFBAYGMSA-N 1 1 483.701 4.712 20 0 JJADMO CC(C)O[C@]1(c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2Cc2cccc(Cl)c2)CCOC1 ZINC001360339836 1065188224 /nfs/dbraw/zinc/18/82/24/1065188224.db2.gz XWKNVABIXYROIN-AREMUKBSSA-N 1 1 490.092 4.577 20 0 JJADMO CC(C)Oc1ccc(Cn2c(N(C)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)cn1 ZINC001360357433 1065208208 /nfs/dbraw/zinc/20/82/08/1065208208.db2.gz JAFOZRKTZBSIFJ-XMMPIXPASA-N 1 1 476.669 4.907 20 0 JJADMO CC(C)Oc1cccc(CN(C)c2nnc(-c3cccnc3)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001360359422 1065211548 /nfs/dbraw/zinc/21/15/48/1065211548.db2.gz CWWBGZUTMUWBNI-UHFFFAOYSA-N 1 1 462.642 4.886 20 0 JJADMO CC(C)Oc1ccccc1Cn1c(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)nnc1C(C)(C)C ZINC001360362794 1065218724 /nfs/dbraw/zinc/21/87/24/1065218724.db2.gz XFJDEHYKCXPNMR-WIOPSUGQSA-N 1 1 493.700 4.664 20 0 JJADMO CC(C)OC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC001360364031 1065220522 /nfs/dbraw/zinc/22/05/22/1065220522.db2.gz FIBYZXMSGRBACF-RUZDIDTESA-N 1 1 469.674 4.802 20 0 JJADMO CC(C)OC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001360364151 1065221124 /nfs/dbraw/zinc/22/11/24/1065221124.db2.gz JWUUZKXPHGFMDT-LJQANCHMSA-N 1 1 461.054 4.652 20 0 JJADMO CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC001436164577 1065224466 /nfs/dbraw/zinc/22/44/66/1065224466.db2.gz LULPRBVOOMOVET-RUZDIDTESA-N 1 1 451.611 4.792 20 0 JJADMO CC(C)OCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001360377097 1065237641 /nfs/dbraw/zinc/23/76/41/1065237641.db2.gz XGNXWARBPNWBST-UHFFFAOYSA-N 1 1 493.494 4.696 20 0 JJADMO CC(C)OCCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001360377167 1065238178 /nfs/dbraw/zinc/23/81/78/1065238178.db2.gz ZGCMZROYYUHGTJ-SJORKVTESA-N 1 1 482.492 4.647 20 0 JJADMO CCC[N@@H+](C)[C@H](CNC(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(Cl)cc1 ZINC001436197600 1065245316 /nfs/dbraw/zinc/24/53/16/1065245316.db2.gz KKLAFHWXFYJMFM-UMEGOILYSA-N 1 1 458.046 4.762 20 0 JJADMO CC(C)OCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001360385323 1065248137 /nfs/dbraw/zinc/24/81/37/1065248137.db2.gz CJFWURTXAMNLKM-JOCHJYFZSA-N 1 1 469.033 4.519 20 0 JJADMO CC(C)OCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001360385324 1065248155 /nfs/dbraw/zinc/24/81/55/1065248155.db2.gz CJFWURTXAMNLKM-QFIPXVFZSA-N 1 1 469.033 4.519 20 0 JJADMO Cc1ccc2cc(Cl)cc(C(=O)Nc3ccc(C(=O)N(C)[C@H]4CCC[N@@H+](C)C4)cc3)c2n1 ZINC001360387234 1065251751 /nfs/dbraw/zinc/25/17/51/1065251751.db2.gz DJRFKLJLUZADCC-NRFANRHFSA-N 1 1 450.970 4.615 20 0 JJADMO CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001360387120 1065252042 /nfs/dbraw/zinc/25/20/42/1065252042.db2.gz AEZFXPNEFPEIAT-DNQXCXABSA-N 1 1 453.652 4.749 20 0 JJADMO COc1ccc(CCC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(Br)c1 ZINC001436210252 1065253144 /nfs/dbraw/zinc/25/31/44/1065253144.db2.gz RZAZZUZVNALKSA-DEOSSOPVSA-N 1 1 457.412 4.515 20 0 JJADMO COc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)[N@H+](C)CCC(F)(F)F)nc1Cl ZINC001436229538 1065267552 /nfs/dbraw/zinc/26/75/52/1065267552.db2.gz JQHNXZNPCDWTTQ-HNNXBMFYSA-N 1 1 450.288 4.752 20 0 JJADMO COc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)[N@@H+](C)CCC(F)(F)F)nc1Cl ZINC001436229538 1065267559 /nfs/dbraw/zinc/26/75/59/1065267559.db2.gz JQHNXZNPCDWTTQ-HNNXBMFYSA-N 1 1 450.288 4.752 20 0 JJADMO CCOC(=O)c1cc(C(=O)NC[C@@H](c2ccc(Cl)cc2)[N@H+](C)CCC(F)(F)F)[nH]c1C ZINC001436230270 1065268005 /nfs/dbraw/zinc/26/80/05/1065268005.db2.gz PFDKXPGLIIRKOC-SFHVURJKSA-N 1 1 459.896 4.509 20 0 JJADMO CCOC(=O)c1cc(C(=O)NC[C@@H](c2ccc(Cl)cc2)[N@@H+](C)CCC(F)(F)F)[nH]c1C ZINC001436230270 1065268014 /nfs/dbraw/zinc/26/80/14/1065268014.db2.gz PFDKXPGLIIRKOC-SFHVURJKSA-N 1 1 459.896 4.509 20 0 JJADMO Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001360411507 1065275276 /nfs/dbraw/zinc/27/52/76/1065275276.db2.gz BTJHZZVDNFULMB-OAQYLSRUSA-N 1 1 451.567 4.842 20 0 JJADMO CC(C)OCC[NH+]1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001360413459 1065276601 /nfs/dbraw/zinc/27/66/01/1065276601.db2.gz ZFBSTWXXTVFNTQ-UHFFFAOYSA-N 1 1 479.591 4.625 20 0 JJADMO CN(C)c1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)ncc1Br ZINC001436272505 1065283573 /nfs/dbraw/zinc/28/35/73/1065283573.db2.gz VALKLIOSCHIKCS-VQTJNVASSA-N 1 1 471.443 4.787 20 0 JJADMO C[C@@H]1CN(C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001436280879 1065285474 /nfs/dbraw/zinc/28/54/74/1065285474.db2.gz PWQUZRGQVFTKIO-OIEGUCRUSA-N 1 1 453.671 4.612 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1C[C@@]1(C)CCCS1 ZINC001545897492 1065305691 /nfs/dbraw/zinc/30/56/91/1065305691.db2.gz AJLPPZCLCMRCDO-LZCXECNNSA-N 1 1 490.762 4.573 20 0 JJADMO C[C@H](c1cc2ccccc2o1)N(C)c1nnc(C(C)(C)C)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001360433854 1065313019 /nfs/dbraw/zinc/31/30/19/1065313019.db2.gz ZCBFPLPOXGUULN-LJQANCHMSA-N 1 1 452.647 4.545 20 0 JJADMO C[C@H](c1cc2ccccc2o1)N(C)c1nnc(C(C)(C)C)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001360433854 1065313033 /nfs/dbraw/zinc/31/30/33/1065313033.db2.gz ZCBFPLPOXGUULN-LJQANCHMSA-N 1 1 452.647 4.545 20 0 JJADMO C[C@H](c1cc2ccccc2o1)N(C)c1nnc(C(C)(C)C)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001360433854 1065313047 /nfs/dbraw/zinc/31/30/47/1065313047.db2.gz ZCBFPLPOXGUULN-LJQANCHMSA-N 1 1 452.647 4.545 20 0 JJADMO CC(=O)N[C@H](CC(=O)N1CC[N@H+](CCCc2ccccc2)C[C@@H]1CC(C)C)c1cccs1 ZINC001436435748 1065318688 /nfs/dbraw/zinc/31/86/88/1065318688.db2.gz YYEIWUPWKHWJRD-BJKOFHAPSA-N 1 1 455.668 4.507 20 0 JJADMO CCOC(=O)c1ccc(C(=O)N(Cc2ccncc2)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001436447596 1065321551 /nfs/dbraw/zinc/32/15/51/1065321551.db2.gz VGRNKLVPRUJJJE-SANMLTNESA-N 1 1 457.574 4.565 20 0 JJADMO C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001360439381 1065321788 /nfs/dbraw/zinc/32/17/88/1065321788.db2.gz IWASLXCTBVUXRN-PBTUJPDXSA-N 1 1 494.709 4.930 20 0 JJADMO COC(=O)c1ccc2c(c1)CCC[C@@H]2OC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC001436464633 1065325038 /nfs/dbraw/zinc/32/50/38/1065325038.db2.gz FQCYNYXGFBSFCP-DFBJGRDBSA-N 1 1 451.563 4.961 20 0 JJADMO C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)c1cccc(O)c1)[N@@H+](C)C1CC1 ZINC001360445418 1065333062 /nfs/dbraw/zinc/33/30/62/1065333062.db2.gz BRVJHHNMACQEQN-ZRGHVXQMSA-N 1 1 455.647 4.582 20 0 JJADMO C[C@H](c1ccccc1)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[N@@H+](C)C1CCCCC1 ZINC001360450601 1065342517 /nfs/dbraw/zinc/34/25/17/1065342517.db2.gz OZEOWWYFSRPRDL-HXUWFJFHSA-N 1 1 480.682 4.732 20 0 JJADMO C[C@H](c1ccccc1F)N(C)c1nnc(C(=O)N2CCCC2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001360451890 1065344010 /nfs/dbraw/zinc/34/40/10/1065344010.db2.gz CASBQNOLAMGVKK-HXUWFJFHSA-N 1 1 470.637 4.505 20 0 JJADMO C[C@@H](c1ccccc1F)N(C)c1nnc(C(=O)N2CCCC2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001360451889 1065344221 /nfs/dbraw/zinc/34/42/21/1065344221.db2.gz CASBQNOLAMGVKK-FQEVSTJZSA-N 1 1 470.637 4.505 20 0 JJADMO C[C@H](c1ccco1)N(C)c1nnc(-c2ccc(Br)s2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001360454835 1065353360 /nfs/dbraw/zinc/35/33/60/1065353360.db2.gz STGCYMDHROLIBG-OAHLLOKOSA-N 1 1 494.459 4.670 20 0 JJADMO C[C@@H](c1ccco1)N(C)c1nnc(COc2ccccc2F)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360460537 1065362506 /nfs/dbraw/zinc/36/25/06/1065362506.db2.gz BKJKAWAVYIJVJA-IBGZPJMESA-N 1 1 455.578 4.909 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc(Br)ccc1OC(F)F ZINC001360465582 1065374521 /nfs/dbraw/zinc/37/45/21/1065374521.db2.gz WTYWQEAOOFTMKM-HNNXBMFYSA-N 1 1 453.327 4.787 20 0 JJADMO C[C@@H](c1cccs1)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001360465781 1065374713 /nfs/dbraw/zinc/37/47/13/1065374713.db2.gz AHFZHDMAJIYFCL-PXNSSMCTSA-N 1 1 487.073 4.616 20 0 JJADMO CCOC(=O)C(C)(C)c1csc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC(C)C)n1 ZINC001436596359 1065390229 /nfs/dbraw/zinc/39/02/29/1065390229.db2.gz GJQJKPCMAKOAFO-WOJBJXKFSA-N 1 1 457.640 4.717 20 0 JJADMO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001436598333 1065390899 /nfs/dbraw/zinc/39/08/99/1065390899.db2.gz GQLRTXLSQQCFGB-QHCPKHFHSA-N 1 1 451.014 4.925 20 0 JJADMO O=C(Cc1c[nH]c2cccc(Br)c12)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001436596291 1065390919 /nfs/dbraw/zinc/39/09/19/1065390919.db2.gz CBUTYXNTQHTMKI-LJQANCHMSA-N 1 1 454.412 4.891 20 0 JJADMO Cc1noc(CSc2ccccc2C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC001436602172 1065394703 /nfs/dbraw/zinc/39/47/03/1065394703.db2.gz ZYJUITGEPQBANC-NRFANRHFSA-N 1 1 450.608 4.702 20 0 JJADMO Cc1cc(CNC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)ccc1Br ZINC001436620317 1065400696 /nfs/dbraw/zinc/40/06/96/1065400696.db2.gz XCXGUWQPUBVPFB-FQEVSTJZSA-N 1 1 455.318 4.828 20 0 JJADMO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)Cc2cccs2)CC1 ZINC001360501336 1065425100 /nfs/dbraw/zinc/42/51/00/1065425100.db2.gz RXJWZIZTDZAOPR-HXUWFJFHSA-N 1 1 454.688 4.781 20 0 JJADMO C[C@H](Cc1cccs1)Cn1c(C2CCCC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001360502056 1065426605 /nfs/dbraw/zinc/42/66/05/1065426605.db2.gz XDTJMQCSHPPKPA-HXUWFJFHSA-N 1 1 459.704 4.671 20 0 JJADMO Cn1ccc(C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)c1-c1ccccc1 ZINC001436715766 1065428521 /nfs/dbraw/zinc/42/85/21/1065428521.db2.gz BDFKILMRCUVOKW-UHFFFAOYSA-N 1 1 452.396 4.849 20 0 JJADMO COCc1c2ccccc2oc1C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC001436715734 1065428536 /nfs/dbraw/zinc/42/85/36/1065428536.db2.gz PKSNNYCSYAFSRQ-UHFFFAOYSA-N 1 1 457.368 4.736 20 0 JJADMO CC(C)Cn1ncc(C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)c1C1CC1 ZINC001436717020 1065429344 /nfs/dbraw/zinc/42/93/44/1065429344.db2.gz KSOWZSHXLKIWMR-UHFFFAOYSA-N 1 1 459.432 4.573 20 0 JJADMO C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cccn2C)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001360503427 1065431556 /nfs/dbraw/zinc/43/15/56/1065431556.db2.gz LCUFBCVWUZTQRH-RDPSFJRHSA-N 1 1 464.658 4.567 20 0 JJADMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)CC1 ZINC001545901292 1065437578 /nfs/dbraw/zinc/43/75/78/1065437578.db2.gz IZUZCCDWCXOENK-UHFFFAOYSA-N 1 1 453.558 4.845 20 0 JJADMO C[C@H](CCn1c(-c2cccn2C)nnc1N1CCSC(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360504882 1065438187 /nfs/dbraw/zinc/43/81/87/1065438187.db2.gz DGLMBMNITQPXJQ-HXUWFJFHSA-N 1 1 452.672 4.526 20 0 JJADMO C[C@@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360504961 1065438290 /nfs/dbraw/zinc/43/82/90/1065438290.db2.gz FSGSBBVVVSGSKA-GMAHTHKFSA-N 1 1 489.668 4.708 20 0 JJADMO C[C@@H](CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC001360505841 1065442261 /nfs/dbraw/zinc/44/22/61/1065442261.db2.gz WFWMSMVHTALKGE-INIZCTEOSA-N 1 1 466.939 4.903 20 0 JJADMO C[C@@H](CCn1c([C@@H]2CCOC2)nnc1N1CC=C(C(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001360509371 1065449685 /nfs/dbraw/zinc/44/96/85/1065449685.db2.gz RBTUDBNLTUIRNY-JTHBVZDNSA-N 1 1 451.659 4.875 20 0 JJADMO C[C@@H](CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001360509736 1065450631 /nfs/dbraw/zinc/45/06/31/1065450631.db2.gz XGRHWNDLYQECLX-NRFANRHFSA-N 1 1 496.700 4.902 20 0 JJADMO C[C@H](CCn1c(C2CC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360509670 1065450654 /nfs/dbraw/zinc/45/06/54/1065450654.db2.gz WNJSITUJEVJWFM-NFBKMPQASA-N 1 1 482.673 4.560 20 0 JJADMO C[C@H](CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001360509737 1065450694 /nfs/dbraw/zinc/45/06/94/1065450694.db2.gz XGRHWNDLYQECLX-OAQYLSRUSA-N 1 1 496.700 4.902 20 0 JJADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1(c2ccc(Br)cc2)CCC1 ZINC001436844736 1065451279 /nfs/dbraw/zinc/45/12/79/1065451279.db2.gz KBNQVWZEEFSACF-NFBKMPQASA-N 1 1 471.439 4.524 20 0 JJADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc(Cl)cc(F)c1Br ZINC001436846292 1065451460 /nfs/dbraw/zinc/45/14/60/1065451460.db2.gz NGVSRXYFEXIODG-DNVCBOLYSA-N 1 1 469.782 4.509 20 0 JJADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cnn(-c2ccccc2C)c1C(C)C ZINC001436849105 1065452351 /nfs/dbraw/zinc/45/23/51/1065452351.db2.gz VPVHEKHKZNZAFC-ZEQKJWHPSA-N 1 1 460.622 4.571 20 0 JJADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc(SC)c(Cl)cc1Cl ZINC001436849366 1065452582 /nfs/dbraw/zinc/45/25/82/1065452582.db2.gz XHPZTMLDKVGBAV-OXQOHEQNSA-N 1 1 453.435 4.982 20 0 JJADMO C[C@H](CCn1c(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001360510260 1065453452 /nfs/dbraw/zinc/45/34/52/1065453452.db2.gz HCJNWCUOKMRLLD-FYYLOGMGSA-N 1 1 498.716 4.837 20 0 JJADMO C[C@H](CCn1c(CC2CC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001360511573 1065457269 /nfs/dbraw/zinc/45/72/69/1065457269.db2.gz YDEHKYVJKCIBLB-OAQYLSRUSA-N 1 1 496.700 4.635 20 0 JJADMO C[C@@H](CCn1c(N2CCN(Cc3ccsc3)CC2)nnc1C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001360513528 1065460982 /nfs/dbraw/zinc/46/09/82/1065460982.db2.gz BNVIWANGYUMWCW-QFIPXVFZSA-N 1 1 480.726 4.870 20 0 JJADMO C[C@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H]1CCCOC1)[N@@H+](C)Cc1ccccc1 ZINC001360513682 1065461610 /nfs/dbraw/zinc/46/16/10/1065461610.db2.gz FOMQYGFZNFULMH-VNSJUHMKSA-N 1 1 497.728 4.970 20 0 JJADMO C[C@@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H]1CCCOC1)[N@@H+](C)Cc1ccccc1 ZINC001360513679 1065461634 /nfs/dbraw/zinc/46/16/34/1065461634.db2.gz FOMQYGFZNFULMH-ADXHGGABSA-N 1 1 497.728 4.970 20 0 JJADMO CC(C)N(C(=O)c1csc(COc2ccc(F)cc2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001437026785 1065498825 /nfs/dbraw/zinc/49/88/25/1065498825.db2.gz GSJFBOALNBAAOW-NRFANRHFSA-N 1 1 453.583 4.986 20 0 JJADMO C[C@H](CN(C)c1nnc(Cc2ccsc2)n1CCC[N@H+]1CCCC[C@H]1C)c1nccs1 ZINC001360526737 1065506012 /nfs/dbraw/zinc/50/60/12/1065506012.db2.gz SCBATXKYPAZMJE-RTBURBONSA-N 1 1 458.701 4.891 20 0 JJADMO C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001360535210 1065516884 /nfs/dbraw/zinc/51/68/84/1065516884.db2.gz AXTITDWUBQQYIC-XLIONFOSSA-N 1 1 489.064 4.575 20 0 JJADMO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccc(Cl)s1)[N@@H+](C)C1CC1 ZINC001360535471 1065517350 /nfs/dbraw/zinc/51/73/50/1065517350.db2.gz OARYMYLUIFJTEO-ZDUSSCGKSA-N 1 1 497.894 4.880 20 0 JJADMO C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001360536046 1065517950 /nfs/dbraw/zinc/51/79/50/1065517950.db2.gz KIHXOMYHEONWRS-DYESRHJHSA-N 1 1 489.064 4.527 20 0 JJADMO CCC[N@@H+](Cc1ccccc1)Cc1ccc(NC(=O)Cn2cc(C(N)=O)c3ccccc32)cc1 ZINC001437224417 1065522314 /nfs/dbraw/zinc/52/23/14/1065522314.db2.gz MXDSSOAQXBQHSJ-UHFFFAOYSA-N 1 1 454.574 4.791 20 0 JJADMO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCc1nccs1)[N@@H+](C)Cc1ccccc1 ZINC001360540188 1065524832 /nfs/dbraw/zinc/52/48/32/1065524832.db2.gz BBGOZTONYJDERC-SFHVURJKSA-N 1 1 482.057 4.649 20 0 JJADMO C[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCc1cccs1)[N@@H+](C)C1CC1 ZINC001360540280 1065525052 /nfs/dbraw/zinc/52/50/52/1065525052.db2.gz FYCKCCVGVXJBBE-MRXNPFEDSA-N 1 1 474.472 4.931 20 0 JJADMO C[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001360540613 1065525497 /nfs/dbraw/zinc/52/54/97/1065525497.db2.gz HNTDDBUNLQHUBR-NZQKXSOJSA-N 1 1 494.728 4.856 20 0 JJADMO CC(C)(C)OC(=O)c1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)nc1 ZINC001437254038 1065526067 /nfs/dbraw/zinc/52/60/67/1065526067.db2.gz MTNCTTDGIQZSKN-NHCUHLMSSA-N 1 1 463.603 4.953 20 0 JJADMO C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001360544013 1065533169 /nfs/dbraw/zinc/53/31/69/1065533169.db2.gz ADDPQERMIPOZJR-NRFANRHFSA-N 1 1 496.700 4.901 20 0 JJADMO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H](OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001360545061 1065535523 /nfs/dbraw/zinc/53/55/23/1065535523.db2.gz WBJSAHQBMJVDAR-HKUYNNGSSA-N 1 1 490.490 4.974 20 0 JJADMO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N(C)CCCc1ccccn1)[N@@H+](C)C1CC1 ZINC001360545323 1065536170 /nfs/dbraw/zinc/53/61/70/1065536170.db2.gz ZFTFOIDHWXNSTE-SFHVURJKSA-N 1 1 483.458 4.654 20 0 JJADMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC001437320155 1065536908 /nfs/dbraw/zinc/53/69/08/1065536908.db2.gz RJVJBWGDIDQDBP-XEBLDREYSA-N 1 1 457.659 4.970 20 0 JJADMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Cc1c(F)ccc(Br)c1F ZINC001437319402 1065537201 /nfs/dbraw/zinc/53/72/01/1065537201.db2.gz QQYWSNUHUHOMOX-ARFHVFGLSA-N 1 1 451.355 4.780 20 0 JJADMO C[NH+](C)[C@@H](C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CCc2ccccc21)c1ccc(Cl)cc1 ZINC001437455458 1065554183 /nfs/dbraw/zinc/55/41/83/1065554183.db2.gz QFYACPWQTWREIS-RBBKRZOGSA-N 1 1 458.002 4.815 20 0 JJADMO C[NH+](C)[C@@H](C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CCc2ccccc21)c1ccc(Cl)cc1 ZINC001437455456 1065554311 /nfs/dbraw/zinc/55/43/11/1065554311.db2.gz QFYACPWQTWREIS-IFMALSPDSA-N 1 1 458.002 4.815 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)c2ccc(F)cc2)CC1 ZINC001360563990 1065554433 /nfs/dbraw/zinc/55/44/33/1065554433.db2.gz NFKSNWKZNUGYOJ-REWPJTCUSA-N 1 1 457.638 4.672 20 0 JJADMO C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(Cl)=C(Cl)C1)[N@@H+](C)Cc1ccccc1 ZINC001360564018 1065554930 /nfs/dbraw/zinc/55/49/30/1065554930.db2.gz NJTGGQBJLZYWBS-PKOBYXMFSA-N 1 1 464.441 4.592 20 0 JJADMO C[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)Oc1ccc(Cl)cc1 ZINC001360568289 1065560287 /nfs/dbraw/zinc/56/02/87/1065560287.db2.gz CDXLDNLOXGTXMB-FQEVSTJZSA-N 1 1 492.108 4.782 20 0 JJADMO C[C@H](Cn1c(CC(C)(C)C)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1)[N@@H+](C)C1CC1 ZINC001360569057 1065561404 /nfs/dbraw/zinc/56/14/04/1065561404.db2.gz FTPPPTVWMIBVAZ-XXBNENTESA-N 1 1 457.638 4.674 20 0 JJADMO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(Oc2ccc(F)cc2F)CC1)[N@@H+](C)C1CC1 ZINC001360569328 1065562114 /nfs/dbraw/zinc/56/21/14/1065562114.db2.gz JVQPXSXMBUIWLC-QGZVFWFLSA-N 1 1 461.601 4.675 20 0 JJADMO C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC001360574032 1065568411 /nfs/dbraw/zinc/56/84/11/1065568411.db2.gz YIMSMAXYRBAZFR-BBWFWOEESA-N 1 1 451.993 4.733 20 0 JJADMO C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C(F)(F)F)C1)[N@@H+](C)Cc1ccccc1 ZINC001360574933 1065570588 /nfs/dbraw/zinc/57/05/88/1065570588.db2.gz QFPPQPOHRUAQBD-UGKGYDQZSA-N 1 1 472.559 4.563 20 0 JJADMO C[C@H](Cn1c(CC2CCCC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC001360578909 1065574693 /nfs/dbraw/zinc/57/46/93/1065574693.db2.gz OARUJAQAGDUUBC-RTWAWAEBSA-N 1 1 492.634 4.604 20 0 JJADMO C[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(F)(F)CC1)[N@@H+](C)C1CC1 ZINC001360583724 1065582449 /nfs/dbraw/zinc/58/24/49/1065582449.db2.gz IMSUQJXCDLCZNF-CQSZACIVSA-N 1 1 474.383 4.882 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCCCCC2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001545908020 1065583451 /nfs/dbraw/zinc/58/34/51/1065583451.db2.gz WMLIJCGZQMDBQM-NRFANRHFSA-N 1 1 461.054 4.533 20 0 JJADMO COc1cc(OC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)ccc1Br ZINC001437601153 1065583635 /nfs/dbraw/zinc/58/36/35/1065583635.db2.gz LPKLSTGYYXASRI-LJQANCHMSA-N 1 1 458.274 4.818 20 0 JJADMO C[C@H](Cn1c(N(C)CCCc2cc(-c3ccccc3)no2)nnc1C(C)(C)C)[N@@H+](C)C1CC1 ZINC001360586059 1065585881 /nfs/dbraw/zinc/58/58/81/1065585881.db2.gz BHQCVAFKWZDEIY-LJQANCHMSA-N 1 1 450.631 4.782 20 0 JJADMO CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC001437648733 1065587824 /nfs/dbraw/zinc/58/78/24/1065587824.db2.gz BDJVFYBFWLKEEY-INIZCTEOSA-N 1 1 456.578 4.936 20 0 JJADMO Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001437728754 1065596299 /nfs/dbraw/zinc/59/62/99/1065596299.db2.gz PFOOFODLOLFQND-LJQANCHMSA-N 1 1 458.628 4.781 20 0 JJADMO Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001437728754 1065596311 /nfs/dbraw/zinc/59/63/11/1065596311.db2.gz PFOOFODLOLFQND-LJQANCHMSA-N 1 1 458.628 4.781 20 0 JJADMO C[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@H](C)C1)C[NH+]1CCOCC1 ZINC001360606851 1065632628 /nfs/dbraw/zinc/63/26/28/1065632628.db2.gz RPGGGZSNPFAAFY-VAMGGRTRSA-N 1 1 478.106 4.674 20 0 JJADMO C[C@H](CNC(=O)OC(C)(C)C)Cn1c(CC(C)(C)C)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001360610284 1065643864 /nfs/dbraw/zinc/64/38/64/1065643864.db2.gz GKWOZRDNHMBBHW-YADHBBJMSA-N 1 1 498.716 4.738 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1C[C@H](c2nnc(N3CCC[N@H+](C4CCCC4)CC3)n2CCC(C)(F)F)C1 ZINC001360630763 1065679698 /nfs/dbraw/zinc/67/96/98/1065679698.db2.gz WUXITOHOUBJYHG-KDURUIRLSA-N 1 1 496.647 4.549 20 0 JJADMO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1 ZINC001360631233 1065680842 /nfs/dbraw/zinc/68/08/42/1065680842.db2.gz LXUDEJRXPOTVSB-RLWLMLJZSA-N 1 1 456.590 4.874 20 0 JJADMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001360638807 1065704524 /nfs/dbraw/zinc/70/45/24/1065704524.db2.gz JDJMKPKUHZBZPE-PCCBWWKXSA-N 1 1 476.710 4.580 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)[C@H](c2cccc(Cl)c2)N(C)C)cc1 ZINC001438334773 1065711498 /nfs/dbraw/zinc/71/14/98/1065711498.db2.gz MUKRLEFAZVMPBQ-VJGNERBWSA-N 1 1 478.036 4.736 20 0 JJADMO Cc1cc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c2cc(Br)ccc2n1 ZINC001438338414 1065711917 /nfs/dbraw/zinc/71/19/17/1065711917.db2.gz WTHWDVKFLWTPOD-APWZRJJASA-N 1 1 452.396 4.804 20 0 JJADMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(C3CCCC3)n2CC[N@@H+](C)Cc2ccccc2)C1 ZINC001360641341 1065713524 /nfs/dbraw/zinc/71/35/24/1065713524.db2.gz GYKHNSWFYDKCBH-ZJSXRUAMSA-N 1 1 496.700 4.807 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(C2CC2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360641641 1065714139 /nfs/dbraw/zinc/71/41/39/1065714139.db2.gz LDEZNNVMLDWBQD-UNMCSNQZSA-N 1 1 496.700 4.784 20 0 JJADMO C[C@@H](Cn1c(C2CCC2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360641780 1065714601 /nfs/dbraw/zinc/71/46/01/1065714601.db2.gz NDMWTCLFJAYUJT-HFMPRLQTSA-N 1 1 496.700 4.806 20 0 JJADMO C[C@H]([NH2+]C(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(C2CCC2)CC1)c1ccccc1 ZINC001360644701 1065719491 /nfs/dbraw/zinc/71/94/91/1065719491.db2.gz BHOJTTQPNCYZRD-NRFANRHFSA-N 1 1 452.691 4.671 20 0 JJADMO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)NCc2ccc(Br)cn2)c1 ZINC001438571273 1065732910 /nfs/dbraw/zinc/73/29/10/1065732910.db2.gz JSWTVEXSULXWPA-BJKOFHAPSA-N 1 1 464.407 4.685 20 0 JJADMO COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001360678742 1065734010 /nfs/dbraw/zinc/73/40/10/1065734010.db2.gz UQICNNIXGZRYJS-NSOVKSMOSA-N 1 1 458.602 4.613 20 0 JJADMO COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001360678742 1065734021 /nfs/dbraw/zinc/73/40/21/1065734021.db2.gz UQICNNIXGZRYJS-NSOVKSMOSA-N 1 1 458.602 4.613 20 0 JJADMO O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001360681211 1065734789 /nfs/dbraw/zinc/73/47/89/1065734789.db2.gz ANVZRTUTIHXZRL-OAQYLSRUSA-N 1 1 456.011 4.699 20 0 JJADMO Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)c2ccnc(Oc3ccc(C(C)C)cc3)c2)C1 ZINC001438594093 1065734996 /nfs/dbraw/zinc/73/49/96/1065734996.db2.gz LNDFLPKVGGSMOX-SANMLTNESA-N 1 1 459.590 4.937 20 0 JJADMO Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)c2ccnc(Oc3ccc(C(C)C)cc3)c2)C1 ZINC001438594093 1065735000 /nfs/dbraw/zinc/73/50/00/1065735000.db2.gz LNDFLPKVGGSMOX-SANMLTNESA-N 1 1 459.590 4.937 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1C[C@@H](C)c1ccccc1 ZINC001545917175 1065735615 /nfs/dbraw/zinc/73/56/15/1065735615.db2.gz YWUZTVZCOATJHA-RTWAWAEBSA-N 1 1 494.709 4.945 20 0 JJADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1nc2ccccc2cc1Br ZINC001360706734 1065742554 /nfs/dbraw/zinc/74/25/54/1065742554.db2.gz MFBKHNHYIOYWJQ-LJQANCHMSA-N 1 1 452.396 4.982 20 0 JJADMO C[C@H](NC(=O)c1cccc2cccc(Br)c21)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360711965 1065744592 /nfs/dbraw/zinc/74/45/92/1065744592.db2.gz RQRVUEVHGXTDAT-JTSKRJEESA-N 1 1 453.380 4.622 20 0 JJADMO C[C@H](NC(=O)c1cccc2cccc(Br)c21)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360711965 1065744606 /nfs/dbraw/zinc/74/46/06/1065744606.db2.gz RQRVUEVHGXTDAT-JTSKRJEESA-N 1 1 453.380 4.622 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(CC3CCCC3)n2Cc2ccc([C@@H](C)O)cc2)CC1 ZINC001360733583 1065762117 /nfs/dbraw/zinc/76/21/17/1065762117.db2.gz YMXDYUSSFRENQK-OAQYLSRUSA-N 1 1 453.675 4.669 20 0 JJADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@@H]2CCSC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360736750 1065765703 /nfs/dbraw/zinc/76/57/03/1065765703.db2.gz HAGWCZANNQZAKY-AZUAARDMSA-N 1 1 461.651 4.621 20 0 JJADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NCc3cc4cc(Br)ccc4o3)cc2)C[C@@H](C)O1 ZINC001438963474 1065771937 /nfs/dbraw/zinc/77/19/37/1065771937.db2.gz FSCOBSHKIPDTHN-HZPDHXFCSA-N 1 1 457.368 4.735 20 0 JJADMO Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001438988232 1065774361 /nfs/dbraw/zinc/77/43/61/1065774361.db2.gz WGQKZXDNUHYBRR-IBGZPJMESA-N 1 1 458.628 4.925 20 0 JJADMO Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001360742412 1065777696 /nfs/dbraw/zinc/77/76/96/1065777696.db2.gz XDFIXUPINWIECH-LAUBAEHRSA-N 1 1 456.637 4.853 20 0 JJADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(OC(C)(C)C)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001360743804 1065780628 /nfs/dbraw/zinc/78/06/28/1065780628.db2.gz JRUWKIHQDBRHTG-HXUWFJFHSA-N 1 1 471.621 4.603 20 0 JJADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H]1CCCS1 ZINC001360744802 1065783238 /nfs/dbraw/zinc/78/32/38/1065783238.db2.gz AWZXCWDBHWYZHW-NQIIRXRSSA-N 1 1 461.651 4.763 20 0 JJADMO C[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC=C(Br)C1)[N@@H+](C)C1CC1 ZINC001360745574 1065785495 /nfs/dbraw/zinc/78/54/95/1065785495.db2.gz MVXYYGCXLJSGEY-HOTGVXAUSA-N 1 1 478.410 4.529 20 0 JJADMO C[C@H](Sc1ccc(Br)cc1)C(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001439112018 1065788722 /nfs/dbraw/zinc/78/87/22/1065788722.db2.gz STYLLIVESDGKAK-GWJPWWOOSA-N 1 1 459.453 4.910 20 0 JJADMO Cc1c(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)cnn1-c1cccc(C(F)(F)F)c1 ZINC001360748407 1065789771 /nfs/dbraw/zinc/78/97/71/1065789771.db2.gz YCLTYJMKGLWAJS-GOSISDBHSA-N 1 1 456.512 4.936 20 0 JJADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCSCC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001360749500 1065792588 /nfs/dbraw/zinc/79/25/88/1065792588.db2.gz FEOUSSZKIBCHIR-UXHICEINSA-N 1 1 461.651 4.765 20 0 JJADMO CC(C)C(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001360750291 1065794709 /nfs/dbraw/zinc/79/47/09/1065794709.db2.gz VQCZJZKHJBTSDC-OFNKIYASSA-N 1 1 473.637 4.540 20 0 JJADMO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2cscn2)n1CC[N@H+]1CCC[C@@H]1C ZINC001360753819 1065801331 /nfs/dbraw/zinc/80/13/31/1065801331.db2.gz JKSPKZXFICVNGE-DLBZAZTESA-N 1 1 461.035 4.649 20 0 JJADMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC001439269797 1065807746 /nfs/dbraw/zinc/80/77/46/1065807746.db2.gz MCPHXQGUSLWYSA-NCXUSEDFSA-N 1 1 472.429 4.868 20 0 JJADMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC001439269797 1065807769 /nfs/dbraw/zinc/80/77/69/1065807769.db2.gz MCPHXQGUSLWYSA-NCXUSEDFSA-N 1 1 472.429 4.868 20 0 JJADMO C[C@@H]1CN(C(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001439272061 1065808186 /nfs/dbraw/zinc/80/81/86/1065808186.db2.gz HQQWWWLTYJBEKK-BHIFYINESA-N 1 1 473.658 4.563 20 0 JJADMO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001360756037 1065812468 /nfs/dbraw/zinc/81/24/68/1065812468.db2.gz NHRTYFJMLRSXMW-OKZBNKHCSA-N 1 1 462.038 4.558 20 0 JJADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@]1(O)CCC[C@@H]1C ZINC001360757641 1065819886 /nfs/dbraw/zinc/81/98/86/1065819886.db2.gz FLGZRBRISQYNBR-DYLHXGEVSA-N 1 1 490.092 4.933 20 0 JJADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CC[N@H+]1CCC[C@H]1C ZINC001360760711 1065833883 /nfs/dbraw/zinc/83/38/83/1065833883.db2.gz ROWGSMUCONFMNS-QYZOEREBSA-N 1 1 462.038 4.560 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001360763532 1065843221 /nfs/dbraw/zinc/84/32/21/1065843221.db2.gz XSLOQZIHBXEWOG-MHTWAQMVSA-N 1 1 476.065 4.806 20 0 JJADMO C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccccn2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001360765329 1065849870 /nfs/dbraw/zinc/84/98/70/1065849870.db2.gz PJFCIXWIIWSWKE-NHCUHLMSSA-N 1 1 466.605 4.853 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C1CC(C(C)(C)C)C1 ZINC001545924013 1065852408 /nfs/dbraw/zinc/85/24/08/1065852408.db2.gz NJMLPTOHVZBKLM-UHFFFAOYSA-N 1 1 472.703 4.577 20 0 JJADMO C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCOC(C)(C)C)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001360767952 1065858077 /nfs/dbraw/zinc/85/80/77/1065858077.db2.gz WCSUIHPWCLKIPR-RTBURBONSA-N 1 1 470.593 4.583 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCSC2)CC1 ZINC001360769721 1065863472 /nfs/dbraw/zinc/86/34/72/1065863472.db2.gz MLXDJFFBMHQPKM-TZIWHRDSSA-N 1 1 475.678 4.867 20 0 JJADMO CC(C)S(=O)(=O)c1ccc(C(=O)N[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC001439758651 1065871720 /nfs/dbraw/zinc/87/17/20/1065871720.db2.gz UPDDMMAFVMBRSE-XTEPFMGCSA-N 1 1 476.642 4.657 20 0 JJADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001360774477 1065873447 /nfs/dbraw/zinc/87/34/47/1065873447.db2.gz NJXGVQUMAKFLSE-FGTMMUONSA-N 1 1 469.527 4.820 20 0 JJADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1CCC(C)(C)O ZINC001360774804 1065874877 /nfs/dbraw/zinc/87/48/77/1065874877.db2.gz TZSGPOJCLBMJEW-RTBURBONSA-N 1 1 487.645 4.663 20 0 JJADMO COCCCOc1cccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1C ZINC001439818922 1065881411 /nfs/dbraw/zinc/88/14/11/1065881411.db2.gz MJJUVJYYQTUFHX-RRPNLBNLSA-N 1 1 458.602 4.808 20 0 JJADMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1cnc(Br)c(Cl)c1 ZINC001439818960 1065882378 /nfs/dbraw/zinc/88/23/78/1065882378.db2.gz NDQDMMRUOWDOAV-PZJWPPBQSA-N 1 1 470.798 4.896 20 0 JJADMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001439887921 1065889167 /nfs/dbraw/zinc/88/91/67/1065889167.db2.gz GBUWFOQVSWPJGY-HXUWFJFHSA-N 1 1 453.384 4.516 20 0 JJADMO CC(C)(C)[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CC[N@H+]2CCCC(C)(C)C2)CCO1 ZINC001360808285 1065920666 /nfs/dbraw/zinc/92/06/66/1065920666.db2.gz JHTFBIOFPYVZMX-DEOSSOPVSA-N 1 1 467.702 4.827 20 0 JJADMO CC1(C)CCCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001360808217 1065920760 /nfs/dbraw/zinc/92/07/60/1065920760.db2.gz KNLJNEJDAWOFNS-UHFFFAOYSA-N 1 1 478.106 4.961 20 0 JJADMO CC1(C)CCCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001360808217 1065920772 /nfs/dbraw/zinc/92/07/72/1065920772.db2.gz KNLJNEJDAWOFNS-UHFFFAOYSA-N 1 1 478.106 4.961 20 0 JJADMO CC(C)(C)c1nnc(N(Cc2ccccc2)C[C@@H]2CCCO2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360808526 1065921477 /nfs/dbraw/zinc/92/14/77/1065921477.db2.gz OPELFMNBTWIGSV-QHCPKHFHSA-N 1 1 453.675 4.883 20 0 JJADMO CC(C)(C)c1nnc(N(CCO)Cc2ccc(Br)s2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360808755 1065922023 /nfs/dbraw/zinc/92/20/23/1065922023.db2.gz TZPZUPIMWOYZSS-UHFFFAOYSA-N 1 1 498.535 4.521 20 0 JJADMO CC(C)(C)c1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360808576 1065922137 /nfs/dbraw/zinc/92/21/37/1065922137.db2.gz PQMIUDOLSQJDBP-UHFFFAOYSA-N 1 1 499.679 4.627 20 0 JJADMO CC1(C)CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001360814011 1065926960 /nfs/dbraw/zinc/92/69/60/1065926960.db2.gz LLWVXUQUELNURE-UHFFFAOYSA-N 1 1 466.457 4.989 20 0 JJADMO CC1(C)CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001360814011 1065926973 /nfs/dbraw/zinc/92/69/73/1065926973.db2.gz LLWVXUQUELNURE-UHFFFAOYSA-N 1 1 466.457 4.989 20 0 JJADMO O=C(CCc1cccc(Br)c1)N[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001440299479 1065929022 /nfs/dbraw/zinc/92/90/22/1065929022.db2.gz QQZMTPJSWRCHMK-HXUWFJFHSA-N 1 1 455.318 4.705 20 0 JJADMO O=C(CCc1cccc(Br)c1)N[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001440299479 1065929031 /nfs/dbraw/zinc/92/90/31/1065929031.db2.gz QQZMTPJSWRCHMK-HXUWFJFHSA-N 1 1 455.318 4.705 20 0 JJADMO CC1(C)CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCC[N@H+]2CCC[C@@H]2CO)CCS1 ZINC001360821159 1065935034 /nfs/dbraw/zinc/93/50/34/1065935034.db2.gz SHYRZDCXKVMUPT-GOSISDBHSA-N 1 1 498.524 4.821 20 0 JJADMO CC(C)(C)c1ccc(-c2nnc(N3CCSC(C)(C)C3)n2CC(C)(C)[NH+]2CCOCC2)cc1 ZINC001360821345 1065935386 /nfs/dbraw/zinc/93/53/86/1065935386.db2.gz VWEVEIFTYUPMPZ-UHFFFAOYSA-N 1 1 471.715 4.685 20 0 JJADMO CC1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001360830195 1065943078 /nfs/dbraw/zinc/94/30/78/1065943078.db2.gz GMWQCCAVXHZDEU-UHFFFAOYSA-N 1 1 452.430 4.742 20 0 JJADMO CC1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001360830195 1065943093 /nfs/dbraw/zinc/94/30/93/1065943093.db2.gz GMWQCCAVXHZDEU-UHFFFAOYSA-N 1 1 452.430 4.742 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC2(C)CC2)C1 ZINC001360838207 1065949200 /nfs/dbraw/zinc/94/92/00/1065949200.db2.gz GGRRBGWOONVPKP-FQEVSTJZSA-N 1 1 474.694 4.503 20 0 JJADMO CC(C)(C)[N@H+]1CCCN(c2nnc(CCCc3ccccc3)n2CC2(C)CCOCC2)CC1 ZINC001360843029 1065951971 /nfs/dbraw/zinc/95/19/71/1065951971.db2.gz BPGWHPWMXSHSQM-UHFFFAOYSA-N 1 1 453.675 4.581 20 0 JJADMO Cc1sc(C)c(Cn2c(C3CCC3)nnc2N2CC[NH+](CCOC(C)C)CC2)c1Br ZINC001360848887 1065957929 /nfs/dbraw/zinc/95/79/29/1065957929.db2.gz IRNBYSUSKSLPPV-UHFFFAOYSA-N 1 1 496.519 4.582 20 0 JJADMO CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC001360851364 1065964191 /nfs/dbraw/zinc/96/41/91/1065964191.db2.gz CSNGVLFIMINHGM-JOCHJYFZSA-N 1 1 451.611 4.657 20 0 JJADMO CC1=C(Br)CN(c2nnc(-c3cccc(Cl)c3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001360851831 1065965972 /nfs/dbraw/zinc/96/59/72/1065965972.db2.gz RVROGGWBXYANOV-UHFFFAOYSA-N 1 1 462.823 4.739 20 0 JJADMO CC1=C(Br)CN(c2nnc([C@H]3CCCCO3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001360854453 1065973679 /nfs/dbraw/zinc/97/36/79/1065973679.db2.gz ZSYYBYOATUHRSV-AZUAARDMSA-N 1 1 466.468 4.663 20 0 JJADMO CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001440776934 1065978406 /nfs/dbraw/zinc/97/84/06/1065978406.db2.gz BFGRTZPZAVOPCC-HDICACEKSA-N 1 1 457.640 4.741 20 0 JJADMO CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001440776934 1065978414 /nfs/dbraw/zinc/97/84/14/1065978414.db2.gz BFGRTZPZAVOPCC-HDICACEKSA-N 1 1 457.640 4.741 20 0 JJADMO CCC(CC)[C@H](CNC(=O)c1cc2ccccc2n1Cc1ccccc1F)[NH+]1CCOCC1 ZINC001440811739 1065980428 /nfs/dbraw/zinc/98/04/28/1065980428.db2.gz RUCLSZSFLLWAHT-SANMLTNESA-N 1 1 451.586 4.696 20 0 JJADMO Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCCC[N@@H+]2CCC[C@@H](C)C2)c1C ZINC001360862828 1065981366 /nfs/dbraw/zinc/98/13/66/1065981366.db2.gz XUXXXTUJMGQXES-HXUWFJFHSA-N 1 1 468.690 4.779 20 0 JJADMO C[C@@H]1C[N@H+](CCCNC(=O)[C@@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)C[C@H](C)O1 ZINC001440830352 1065982446 /nfs/dbraw/zinc/98/24/46/1065982446.db2.gz TVEGAAOFNPXZRN-JKSBSHDWSA-N 1 1 451.394 4.729 20 0 JJADMO Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCCC[N@@H+]2CCCC[C@@H]2C)c1C ZINC001360864780 1065983182 /nfs/dbraw/zinc/98/31/82/1065983182.db2.gz IHJJGCMTMUSQJW-WIOPSUGQSA-N 1 1 496.700 4.866 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H]3CCOC3)n2CCC[N@H+]2CCCC[C@H]2C)c1C ZINC001360865572 1065984758 /nfs/dbraw/zinc/98/47/58/1065984758.db2.gz DOGLSTUGQDJICA-YMPZKCBVSA-N 1 1 455.647 4.525 20 0 JJADMO COc1cc(C)c(Br)cc1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC001440864864 1065984857 /nfs/dbraw/zinc/98/48/57/1065984857.db2.gz OUDPQHDUCUDCMP-UHFFFAOYSA-N 1 1 451.792 4.768 20 0 JJADMO COc1cc(C)c(Br)cc1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC001440864864 1065984865 /nfs/dbraw/zinc/98/48/65/1065984865.db2.gz OUDPQHDUCUDCMP-UHFFFAOYSA-N 1 1 451.792 4.768 20 0 JJADMO Cc1noc(C)c1CN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001360866680 1065989866 /nfs/dbraw/zinc/98/98/66/1065989866.db2.gz XGNCTUMAEYJEBO-UTKZUKDTSA-N 1 1 466.630 4.759 20 0 JJADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(Sc3ccc(C)c(C)c3)cc2)CC1=O ZINC001440911687 1065993425 /nfs/dbraw/zinc/99/34/25/1065993425.db2.gz DAVFBJMFNDWWJB-RBBKRZOGSA-N 1 1 451.636 4.726 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)OC4(CCOCC4)C3)n2CCC[N@H+](C)C(C)C)c1C ZINC001360868922 1065995096 /nfs/dbraw/zinc/99/50/96/1065995096.db2.gz CGLDXYOREJFFGX-ISKFKSNPSA-N 1 1 499.700 4.540 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3cnccn3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c1C ZINC001360869082 1065995938 /nfs/dbraw/zinc/99/59/38/1065995938.db2.gz MAKIQCLFFKSXQQ-DHIUTWEWSA-N 1 1 477.657 4.582 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1C ZINC001360869534 1065998054 /nfs/dbraw/zinc/99/80/54/1065998054.db2.gz ICSINBDBAGJYOT-OVSMBABESA-N 1 1 483.701 4.874 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@@H]3CCCCO3)n2CC[N@@H+](C)C2CCCC2)c1C ZINC001360870568 1066002795 /nfs/dbraw/zinc/00/27/95/1066002795.db2.gz YFEASOLOVHTYQK-VWNXMTODSA-N 1 1 469.674 4.915 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)CCOC(C)(C)C)n2CC[N@H+]2CCC[C@H]2C)c1C ZINC001360871351 1066004759 /nfs/dbraw/zinc/00/47/59/1066004759.db2.gz WLWGPKJFTPEQCV-IFMALSPDSA-N 1 1 457.663 4.771 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)CCOC(C)(C)C)n2CC[N@H+]2CCC[C@@H]2C)c1C ZINC001360871353 1066004789 /nfs/dbraw/zinc/00/47/89/1066004789.db2.gz WLWGPKJFTPEQCV-RBBKRZOGSA-N 1 1 457.663 4.771 20 0 JJADMO CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001441062081 1066004748 /nfs/dbraw/zinc/00/47/48/1066004748.db2.gz RTUZOUWCBXGEIX-DVECYGJZSA-N 1 1 454.590 4.520 20 0 JJADMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCSCc3nc4ccccc4c(=O)[nH]3)cc2)C1 ZINC001441064652 1066005384 /nfs/dbraw/zinc/00/53/84/1066005384.db2.gz YGBSJXIGUMRLDN-SFHVURJKSA-N 1 1 450.608 4.829 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCCC4(CCOCC4)C3)n2CC[N@H+](C)C(C)C)c1C ZINC001360873585 1066009706 /nfs/dbraw/zinc/00/97/06/1066009706.db2.gz GNNGHDFVPBQQBZ-QHCPKHFHSA-N 1 1 469.674 4.772 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCCC4(CCOCC4)C3)n2CC[N@H+](C)C(C)C)c1C ZINC001360873584 1066009792 /nfs/dbraw/zinc/00/97/92/1066009792.db2.gz GNNGHDFVPBQQBZ-HSZRJFAPSA-N 1 1 469.674 4.772 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@@]2(O)CCC[C@H]2C)c1C ZINC001360873981 1066011466 /nfs/dbraw/zinc/01/14/66/1066011466.db2.gz JBDHCMWADAHEMV-PRKAKTJASA-N 1 1 483.701 4.897 20 0 JJADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)C[C@@H](O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC001441189519 1066013491 /nfs/dbraw/zinc/01/34/91/1066013491.db2.gz SQRGSYCGKHCOQQ-MUUNZHRXSA-N 1 1 458.602 4.732 20 0 JJADMO O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001441193290 1066014511 /nfs/dbraw/zinc/01/45/11/1066014511.db2.gz CHPOBPKWSZKRFW-KZNAEPCWSA-N 1 1 450.467 4.967 20 0 JJADMO O=C(N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001441193286 1066014783 /nfs/dbraw/zinc/01/47/83/1066014783.db2.gz CHPOBPKWSZKRFW-INDMIFKZSA-N 1 1 450.467 4.967 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2Cc2ccc(F)cn2)c1C ZINC001360874738 1066015129 /nfs/dbraw/zinc/01/51/29/1066015129.db2.gz OIQIWCNZDPVRIT-NRFANRHFSA-N 1 1 480.632 4.928 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCC4(C3)CCOCC4)n2CCC[N@H+](C)C(C)C)c1C ZINC001360875337 1066017250 /nfs/dbraw/zinc/01/72/50/1066017250.db2.gz SNQNRICTWVWYGF-QHCPKHFHSA-N 1 1 469.674 4.772 20 0 JJADMO Cc1cccc(COc2cccc(C(=O)NCCC[N@@H+]3CCN(C)C[C@@H]3c3ccccc3)c2)c1 ZINC001441247756 1066020237 /nfs/dbraw/zinc/02/02/37/1066020237.db2.gz SXDOYBQXGXAXSM-MUUNZHRXSA-N 1 1 457.618 4.683 20 0 JJADMO Cc1cccc(COc2cccc(C(=O)NCCCN3CC[N@@H+](C)C[C@@H]3c3ccccc3)c2)c1 ZINC001441247756 1066020249 /nfs/dbraw/zinc/02/02/49/1066020249.db2.gz SXDOYBQXGXAXSM-MUUNZHRXSA-N 1 1 457.618 4.683 20 0 JJADMO Cc1cccc(COc2cccc(C(=O)NCCCN3CC[N@H+](C)C[C@@H]3c3ccccc3)c2)c1 ZINC001441247756 1066020260 /nfs/dbraw/zinc/02/02/60/1066020260.db2.gz SXDOYBQXGXAXSM-MUUNZHRXSA-N 1 1 457.618 4.683 20 0 JJADMO CCN1CC[NH+](CCCNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C(C)C)CC1 ZINC001441306571 1066024473 /nfs/dbraw/zinc/02/44/73/1066024473.db2.gz FUSDJEIBDMJAFK-UHFFFAOYSA-N 1 1 453.414 4.529 20 0 JJADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)CC1 ZINC001441311489 1066024807 /nfs/dbraw/zinc/02/48/07/1066024807.db2.gz LUQQHPFRTUVKGY-UHFFFAOYSA-N 1 1 454.058 4.996 20 0 JJADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cccc(OCC(=O)OC(C)(C)C)c3)cc2)C1 ZINC001441355810 1066033193 /nfs/dbraw/zinc/03/31/93/1066033193.db2.gz OUHMXZLVTOZQCY-FQEVSTJZSA-N 1 1 452.595 4.569 20 0 JJADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1(N(C(=O)OC(C)(C)C)C2CC2)CCC1 ZINC001441359043 1066034205 /nfs/dbraw/zinc/03/42/05/1066034205.db2.gz UJJGJMRKWNVXHZ-HXUWFJFHSA-N 1 1 455.643 4.999 20 0 JJADMO CC1=C(C)CN(c2nnc(-c3ccc(F)cc3Br)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001360884754 1066038737 /nfs/dbraw/zinc/03/87/37/1066038737.db2.gz FUDVIGBSBBLOJW-QGZVFWFLSA-N 1 1 462.411 4.878 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)Cn2c3ccccc3nc2C(F)(F)F)C1 ZINC001441451000 1066042181 /nfs/dbraw/zinc/04/21/81/1066042181.db2.gz SQURXDXDILRIAD-HDICACEKSA-N 1 1 458.528 4.849 20 0 JJADMO COC(=O)c1cc(C(=O)NC[C@@H](c2ccc(C(C)C)cc2)[N@@H+]2CCc3sccc3C2)c[nH]1 ZINC001441461890 1066043197 /nfs/dbraw/zinc/04/31/97/1066043197.db2.gz FXXLSDFXRSXYOQ-QFIPXVFZSA-N 1 1 451.592 4.516 20 0 JJADMO COC(=O)c1cc(C(=O)NC[C@@H](c2ccc(C(C)C)cc2)[N@H+]2CCc3sccc3C2)c[nH]1 ZINC001441461890 1066043207 /nfs/dbraw/zinc/04/32/07/1066043207.db2.gz FXXLSDFXRSXYOQ-QFIPXVFZSA-N 1 1 451.592 4.516 20 0 JJADMO CC(C)c1ccc([C@H](CNC(=O)CNC(=O)CC(C)(C)C)[N@@H+]2CCc3sccc3C2)cc1 ZINC001441463880 1066043560 /nfs/dbraw/zinc/04/35/60/1066043560.db2.gz IXTBOOYEDBBFEM-QFIPXVFZSA-N 1 1 455.668 4.640 20 0 JJADMO CC(C)c1ccc([C@H](CNC(=O)CNC(=O)CC(C)(C)C)[N@H+]2CCc3sccc3C2)cc1 ZINC001441463880 1066043569 /nfs/dbraw/zinc/04/35/69/1066043569.db2.gz IXTBOOYEDBBFEM-QFIPXVFZSA-N 1 1 455.668 4.640 20 0 JJADMO CC1=C(C)CN(c2nnc(CCOc3ccccc3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001360892220 1066043997 /nfs/dbraw/zinc/04/39/97/1066043997.db2.gz POAFDSSNIONRQW-JOCHJYFZSA-N 1 1 451.659 4.958 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)cc2)C1 ZINC001441478824 1066045594 /nfs/dbraw/zinc/04/55/94/1066045594.db2.gz IWKATPXYHPILEN-NCNNEKRASA-N 1 1 460.540 4.963 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(NC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)cn1 ZINC001441484567 1066045890 /nfs/dbraw/zinc/04/58/90/1066045890.db2.gz DODMTQFOGINGLM-UHFFFAOYSA-N 1 1 457.321 4.894 20 0 JJADMO CCN(Cc1ccccc1)c1ccc(C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC001441491530 1066046506 /nfs/dbraw/zinc/04/65/06/1066046506.db2.gz GTMDIUMDZHZCLO-XMMPIXPASA-N 1 1 456.634 4.654 20 0 JJADMO Cc1nc(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC[N@H+](C(C)C)CC2)sc1C ZINC001360895807 1066048880 /nfs/dbraw/zinc/04/88/80/1066048880.db2.gz MPJSETGLXWYWDN-IBGZPJMESA-N 1 1 486.661 4.794 20 0 JJADMO Cc1nc([C@H]2CCCN(c3nnc(CCc4ccccc4)n3CC[N@H+](C)C(C)C)C2)sc1C ZINC001360896115 1066049878 /nfs/dbraw/zinc/04/98/78/1066049878.db2.gz UVQUOPWUHLFERO-QHCPKHFHSA-N 1 1 466.699 4.861 20 0 JJADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)cc1 ZINC001441561675 1066051167 /nfs/dbraw/zinc/05/11/67/1066051167.db2.gz OJFUUUMZAAENAZ-OIHNEICTSA-N 1 1 454.574 4.866 20 0 JJADMO CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC001441560723 1066051299 /nfs/dbraw/zinc/05/12/99/1066051299.db2.gz NLIFYHWDMKEDBH-YADARESESA-N 1 1 454.590 4.663 20 0 JJADMO Cc1nc(CCn2c(CCCc3ccccc3)nnc2N2CCC[N@H+](C(C)C)CC2)sc1C ZINC001360898956 1066052241 /nfs/dbraw/zinc/05/22/41/1066052241.db2.gz FXKGPSMOBBFECQ-UHFFFAOYSA-N 1 1 466.699 4.690 20 0 JJADMO Cc1nc(CCn2c(CC(C)C)nnc2N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)sc1C ZINC001360899677 1066053136 /nfs/dbraw/zinc/05/31/36/1066053136.db2.gz QUNVHTZAAQDGSY-UHFFFAOYSA-N 1 1 470.662 4.644 20 0 JJADMO Cc1nc(Cn2c(COc3ccccc3F)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)sc1C ZINC001360904709 1066058276 /nfs/dbraw/zinc/05/82/76/1066058276.db2.gz CUAPCZDITWQOFK-UHFFFAOYSA-N 1 1 486.661 4.674 20 0 JJADMO Cc1nc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)sc1C ZINC001360904816 1066058360 /nfs/dbraw/zinc/05/83/60/1066058360.db2.gz GDTMUOCPGUNVAX-FYYLOGMGSA-N 1 1 488.746 4.875 20 0 JJADMO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC2CCOCC2)n1CCC[N@H+](C)C(C)C ZINC001360908185 1066063291 /nfs/dbraw/zinc/06/32/91/1066063291.db2.gz FDZUFUUWNHZGKL-UHFFFAOYSA-N 1 1 482.698 4.970 20 0 JJADMO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@H]2CCOC2)n1CCC[N@H+](C)C(C)C ZINC001360909194 1066065384 /nfs/dbraw/zinc/06/53/84/1066065384.db2.gz XSBKHABGAIXOTB-HXUWFJFHSA-N 1 1 468.671 4.580 20 0 JJADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2 ZINC001360909491 1066065623 /nfs/dbraw/zinc/06/56/23/1066065623.db2.gz SYLWJOCVLHMJLV-VMODYCNZSA-N 1 1 455.643 4.537 20 0 JJADMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC001441809629 1066071694 /nfs/dbraw/zinc/07/16/94/1066071694.db2.gz HYUJJPOIXUJLNV-ROUUACIJSA-N 1 1 454.439 4.748 20 0 JJADMO Cc1ncsc1CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001360924632 1066080614 /nfs/dbraw/zinc/08/06/14/1066080614.db2.gz SYLHJDIIBLUVEP-UHFFFAOYSA-N 1 1 473.090 4.841 20 0 JJADMO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2cnn(-c3ccccc3)c2Br)CC1 ZINC001360928357 1066084242 /nfs/dbraw/zinc/08/42/42/1066084242.db2.gz FQNUZZZSCBEDHM-OAQYLSRUSA-N 1 1 453.384 4.544 20 0 JJADMO Cc1ncsc1CN(C)c1nnc(-c2cccc(Br)c2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001360929452 1066085285 /nfs/dbraw/zinc/08/52/85/1066085285.db2.gz FXRGAHGEYQAYLN-INIZCTEOSA-N 1 1 489.487 4.841 20 0 JJADMO Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC001442033135 1066086817 /nfs/dbraw/zinc/08/68/17/1066086817.db2.gz MPNZAXQBJJTDBE-UHFFFAOYSA-N 1 1 457.481 4.956 20 0 JJADMO CCN(C(=O)c1cnc2ncc(Br)cc2c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001442068965 1066089527 /nfs/dbraw/zinc/08/95/27/1066089527.db2.gz FOXFMOCLOOOSPJ-IERDGZPVSA-N 1 1 453.384 4.690 20 0 JJADMO CCN(C(=O)c1cnc2ncc(Br)cc2c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001442068975 1066089768 /nfs/dbraw/zinc/08/97/68/1066089768.db2.gz FOXFMOCLOOOSPJ-KKSFZXQISA-N 1 1 453.384 4.690 20 0 JJADMO CCN(C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001442078440 1066090583 /nfs/dbraw/zinc/09/05/83/1066090583.db2.gz SLMINMKPTMVHFO-AUSIDOKSSA-N 1 1 452.599 4.655 20 0 JJADMO CCN(C(=O)c1cc(Nc2nc(C)cc(C)n2)ccc1O)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001442082536 1066091678 /nfs/dbraw/zinc/09/16/78/1066091678.db2.gz ZPKINUGZZDVGAQ-NFBKMPQASA-N 1 1 459.594 4.840 20 0 JJADMO CCN(C(=O)c1cc(Nc2nc(C)cc(C)n2)ccc1O)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001442082571 1066091930 /nfs/dbraw/zinc/09/19/30/1066091930.db2.gz ZPKINUGZZDVGAQ-OFNKIYASSA-N 1 1 459.594 4.840 20 0 JJADMO Cc1ncsc1CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)(C)[NH+]1CCOCC1 ZINC001360935014 1066094461 /nfs/dbraw/zinc/09/44/61/1066094461.db2.gz UOOYAKRODKCOSP-UHFFFAOYSA-N 1 1 495.480 4.764 20 0 JJADMO CCCOc1nc2ccccc2cc1/C=C\C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001442111759 1066094939 /nfs/dbraw/zinc/09/49/39/1066094939.db2.gz KXNLBMZWQSEMBZ-AXUYNXDZSA-N 1 1 459.590 4.574 20 0 JJADMO CCCOc1nc2ccccc2cc1/C=C\C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001442111759 1066094949 /nfs/dbraw/zinc/09/49/49/1066094949.db2.gz KXNLBMZWQSEMBZ-AXUYNXDZSA-N 1 1 459.590 4.574 20 0 JJADMO CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12 ZINC001442129977 1066097170 /nfs/dbraw/zinc/09/71/70/1066097170.db2.gz CMVIKLYPQFIKNK-OAQYLSRUSA-N 1 1 451.611 4.609 20 0 JJADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C)(C)[C@H](O)c2ccc(OCc3ccccc3)cc2)C1 ZINC001442227074 1066104367 /nfs/dbraw/zinc/10/43/67/1066104367.db2.gz SSKCLXBQXGOTAP-PXDATVDWSA-N 1 1 452.639 4.952 20 0 JJADMO Cc1ncsc1CN(C)c1nnc(COc2ccc(Cl)cc2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001360949630 1066106297 /nfs/dbraw/zinc/10/62/97/1066106297.db2.gz NERWIQCTSIBDHA-KRWDZBQOSA-N 1 1 475.062 4.644 20 0 JJADMO CCc1c(C(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)cnn1CC(C)C ZINC001360951917 1066108520 /nfs/dbraw/zinc/10/85/20/1066108520.db2.gz NHZIYDGLWNIMLX-FQEVSTJZSA-N 1 1 450.549 4.628 20 0 JJADMO O=C(c1csc([C@@H]2CCCO2)n1)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001360952195 1066109163 /nfs/dbraw/zinc/10/91/63/1066109163.db2.gz YPVNCGBXVRNFNC-HKUYNNGSSA-N 1 1 453.530 4.521 20 0 JJADMO COc1ccc(CCC(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1F ZINC001360952132 1066109169 /nfs/dbraw/zinc/10/91/69/1066109169.db2.gz WPGFNUCGTATZCZ-FQEVSTJZSA-N 1 1 452.492 4.680 20 0 JJADMO COc1ccc(CCC(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1F ZINC001360952133 1066109232 /nfs/dbraw/zinc/10/92/32/1066109232.db2.gz WPGFNUCGTATZCZ-HXUWFJFHSA-N 1 1 452.492 4.680 20 0 JJADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1cccc2cccc(Br)c21 ZINC001360956661 1066112845 /nfs/dbraw/zinc/11/28/45/1066112845.db2.gz PJOXZKAOWKUSIJ-GOSISDBHSA-N 1 1 452.396 4.543 20 0 JJADMO CC(C)(CNC(=O)c1cc(Br)cc(N2CCCC2)c1)[N@H+]1CCc2ccccc2C1 ZINC001442332311 1066116960 /nfs/dbraw/zinc/11/69/60/1066116960.db2.gz OAONIRKNTNHIBJ-UHFFFAOYSA-N 1 1 456.428 4.616 20 0 JJADMO C[C@@H](CC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001442330455 1066117131 /nfs/dbraw/zinc/11/71/31/1066117131.db2.gz CXUUSVNTZXKUFM-FQEVSTJZSA-N 1 1 457.659 4.613 20 0 JJADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCCOc1ccccc1Br ZINC001360961125 1066120668 /nfs/dbraw/zinc/12/06/68/1066120668.db2.gz ARZWSILICFRZDO-NRFANRHFSA-N 1 1 459.428 4.979 20 0 JJADMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c(F)c(F)c(Br)c(F)c1F ZINC001442474321 1066129810 /nfs/dbraw/zinc/12/98/10/1066129810.db2.gz XUHDFVCWIFOBFB-CYBMUJFWSA-N 1 1 459.281 4.648 20 0 JJADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001360985610 1066148469 /nfs/dbraw/zinc/14/84/69/1066148469.db2.gz GVFWZUWJRHYVGY-HXUWFJFHSA-N 1 1 466.674 4.749 20 0 JJADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2cccnc2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001360985675 1066148514 /nfs/dbraw/zinc/14/85/14/1066148514.db2.gz IRDCPCDJYYAWBF-FQEVSTJZSA-N 1 1 489.668 4.542 20 0 JJADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2cccnc2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001360985676 1066149087 /nfs/dbraw/zinc/14/90/87/1066149087.db2.gz IRDCPCDJYYAWBF-HXUWFJFHSA-N 1 1 489.668 4.542 20 0 JJADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)C1 ZINC001442666947 1066149440 /nfs/dbraw/zinc/14/94/40/1066149440.db2.gz QHZDTYJSFKHKAX-LVCYWYKZSA-N 1 1 457.665 4.956 20 0 JJADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2coc(-c3ccc(Br)cc3F)n2)C1 ZINC001442669324 1066150017 /nfs/dbraw/zinc/15/00/17/1066150017.db2.gz SDBSTBJTBSDVTC-LZWOXQAQSA-N 1 1 450.352 4.721 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@H]1CCOC1 ZINC001360986306 1066150867 /nfs/dbraw/zinc/15/08/67/1066150867.db2.gz AHEALPPDTNEWFH-TZIWHRDSSA-N 1 1 487.048 4.756 20 0 JJADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC2CCCC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001360986584 1066152616 /nfs/dbraw/zinc/15/26/16/1066152616.db2.gz HHJMFVWSRPDQTD-HSZRJFAPSA-N 1 1 480.701 4.967 20 0 JJADMO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(-c2c[nH]c3ccccc23)[nH]n1 ZINC001442730388 1066156060 /nfs/dbraw/zinc/15/60/60/1066156060.db2.gz USZBLBJAPLYVQU-UHFFFAOYSA-N 1 1 455.484 4.781 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001360990200 1066166230 /nfs/dbraw/zinc/16/62/30/1066166230.db2.gz QYDPZJVUQPTWRX-MXEMCNAFSA-N 1 1 476.065 4.786 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001360992682 1066172008 /nfs/dbraw/zinc/17/20/08/1066172008.db2.gz QYDPZJVUQPTWRX-CGXNFDGLSA-N 1 1 476.065 4.786 20 0 JJADMO Cc1[nH+]ccn1CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001360992694 1066172316 /nfs/dbraw/zinc/17/23/16/1066172316.db2.gz RFYKNPPVCHOKRS-OALUTQOASA-N 1 1 487.048 4.897 20 0 JJADMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)[C@H]1c1cccs1 ZINC001360996176 1066174855 /nfs/dbraw/zinc/17/48/55/1066174855.db2.gz CXIOWDBBGCJGNY-KNQAVFIVSA-N 1 1 455.624 4.859 20 0 JJADMO Cc1cc([C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c2ccccc2Cl)ccc1F ZINC001360995803 1066174877 /nfs/dbraw/zinc/17/48/77/1066174877.db2.gz POQJOQVALFIJFO-LOSJGSFVSA-N 1 1 452.957 4.894 20 0 JJADMO Cc1cc([C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c2ccccc2Cl)ccc1F ZINC001360995803 1066174882 /nfs/dbraw/zinc/17/48/82/1066174882.db2.gz POQJOQVALFIJFO-LOSJGSFVSA-N 1 1 452.957 4.894 20 0 JJADMO C[N@H+]1CCC[C@H](CNC(=O)CCCOc2ccccc2Br)[C@@H]1c1cccs1 ZINC001360996028 1066174889 /nfs/dbraw/zinc/17/48/89/1066174889.db2.gz BAXNMTFSMPNLMC-IIBYNOLFSA-N 1 1 451.430 4.869 20 0 JJADMO C[N@H+]1CCC[C@@H](CNC(=O)CCCOc2ccccc2Br)[C@@H]1c1cccs1 ZINC001360996025 1066174906 /nfs/dbraw/zinc/17/49/06/1066174906.db2.gz BAXNMTFSMPNLMC-HRAATJIYSA-N 1 1 451.430 4.869 20 0 JJADMO C[N@H+]1CCC[C@H](CNC(=O)[C@H](NC(=O)OCc2ccccc2)C(C)(C)C)[C@@H]1c1cccs1 ZINC001360996944 1066175482 /nfs/dbraw/zinc/17/54/82/1066175482.db2.gz XAWVZZCJAPIKLU-FCEUIQTBSA-N 1 1 457.640 4.588 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@H](C)c2cccc(C)c2)n1 ZINC001361008578 1066189771 /nfs/dbraw/zinc/18/97/71/1066189771.db2.gz YODUBABKJAPRRY-QFIPXVFZSA-N 1 1 477.701 4.808 20 0 JJADMO Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCC[N@H+](C(C)C)C2)c(C)c1 ZINC001361014437 1066200603 /nfs/dbraw/zinc/20/06/03/1066200603.db2.gz NRSUTWYJWXMDJI-ZEQRLZLVSA-N 1 1 496.700 4.640 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N(C)[C@H]3CCSC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001361018321 1066207887 /nfs/dbraw/zinc/20/78/87/1066207887.db2.gz LCJBXSIIKPMETQ-YADHBBJMSA-N 1 1 457.688 4.536 20 0 JJADMO Cc1cc(Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cs1 ZINC001361019055 1066209378 /nfs/dbraw/zinc/20/93/78/1066209378.db2.gz WGFJSPTWOAVGIH-UHFFFAOYSA-N 1 1 497.709 4.687 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N(C)C[C@H]3CCCCO3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001361022626 1066218718 /nfs/dbraw/zinc/21/87/18/1066218718.db2.gz WURKNOBPJYNDAN-DNQXCXABSA-N 1 1 469.674 4.600 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361023749 1066220204 /nfs/dbraw/zinc/22/02/04/1066220204.db2.gz CMYKHTQNKZHVBS-OFNKIYASSA-N 1 1 483.701 4.988 20 0 JJADMO Cc1ccsc1CCn1c(COc2cc(C)cc(C)c2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001361024173 1066221794 /nfs/dbraw/zinc/22/17/94/1066221794.db2.gz IUFSTUYRQIQTFB-UHFFFAOYSA-N 1 1 497.709 4.634 20 0 JJADMO Cc1ccsc1CCn1c(COc2cc(C)cc(C)c2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001361024173 1066221810 /nfs/dbraw/zinc/22/18/10/1066221810.db2.gz IUFSTUYRQIQTFB-UHFFFAOYSA-N 1 1 497.709 4.634 20 0 JJADMO C[C@]1(c2cccc(Br)c2)C[C@H]1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC001442834621 1066229051 /nfs/dbraw/zinc/22/90/51/1066229051.db2.gz CUVKKMDQLHAROK-UKILVPOCSA-N 1 1 455.440 4.894 20 0 JJADMO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)/C=C/c3csc(C(F)(F)F)c3)C2)ccn1 ZINC001454006746 1066232942 /nfs/dbraw/zinc/23/29/42/1066232942.db2.gz BTBQLUJBONUYAO-PXPVJAHISA-N 1 1 453.530 4.695 20 0 JJADMO Cc1cc(O[C@H](C)C(=O)N2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)ccc1C(C)C ZINC001454015138 1066234697 /nfs/dbraw/zinc/23/46/97/1066234697.db2.gz QQXPLLPQVLSHJL-PXDATVDWSA-N 1 1 453.627 4.801 20 0 JJADMO Cc1cc(O[C@H](C)C(=O)N2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)ccc1C(C)C ZINC001454015098 1066234803 /nfs/dbraw/zinc/23/48/03/1066234803.db2.gz QQXPLLPQVLSHJL-BWKNWUBXSA-N 1 1 453.627 4.801 20 0 JJADMO Cc1cc(O[C@@H](C)C(=O)N2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)ccc1C(C)C ZINC001454015130 1066234929 /nfs/dbraw/zinc/23/49/29/1066234929.db2.gz QQXPLLPQVLSHJL-OFVILXPXSA-N 1 1 453.627 4.801 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](OCC(C)C)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC001361031277 1066240846 /nfs/dbraw/zinc/24/08/46/1066240846.db2.gz MYJWAEMQMCBJCB-ILBGXUMGSA-N 1 1 483.701 4.846 20 0 JJADMO CC[C@@]1(C)CC[C@H](Cn2c(CCCc3ccccc3)nnc2N2CCC[N@H+](C(C)C)CC2)O1 ZINC001546057622 1066243513 /nfs/dbraw/zinc/24/35/13/1066243513.db2.gz VJTGTGVIGIPOMY-SQHAQQRYSA-N 1 1 453.675 4.722 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCCCCCC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC001361032177 1066245607 /nfs/dbraw/zinc/24/56/07/1066245607.db2.gz MTIWVSJQNWQFCV-DEOSSOPVSA-N 1 1 469.674 4.745 20 0 JJADMO CC1(C)C[N@@H+](Cc2ccccc2)C(C)(C)CN1C(=O)c1n[nH]c2ccc(Br)cc21 ZINC001454114018 1066246908 /nfs/dbraw/zinc/24/69/08/1066246908.db2.gz CUUGSBSKNGFXNQ-UHFFFAOYSA-N 1 1 455.400 4.841 20 0 JJADMO CC1(C)C[N@H+](Cc2ccccc2)C(C)(C)CN1C(=O)c1[nH]nc2ccc(Br)cc21 ZINC001454114018 1066246923 /nfs/dbraw/zinc/24/69/23/1066246923.db2.gz CUUGSBSKNGFXNQ-UHFFFAOYSA-N 1 1 455.400 4.841 20 0 JJADMO CC1(C)C[N@@H+](Cc2ccccc2)C(C)(C)CN1C(=O)c1[nH]nc2ccc(Br)cc21 ZINC001454114018 1066246940 /nfs/dbraw/zinc/24/69/40/1066246940.db2.gz CUUGSBSKNGFXNQ-UHFFFAOYSA-N 1 1 455.400 4.841 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCOC(C)(C)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001361038698 1066257909 /nfs/dbraw/zinc/25/79/09/1066257909.db2.gz MXVIHLHRRSDBIU-FQEVSTJZSA-N 1 1 469.674 4.600 20 0 JJADMO Cc1cc(C(C)(C)C)ccc1OCCCC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001454271569 1066262337 /nfs/dbraw/zinc/26/23/37/1066262337.db2.gz VWODTDKLZVVFPH-NDEPHWFRSA-N 1 1 452.639 4.547 20 0 JJADMO Cc1cccc(COc2ccc([C@@H](C)NC(=O)c3ccc(C[NH+]4CCN(C)CC4)cc3)cc2)c1 ZINC001443093292 1066266141 /nfs/dbraw/zinc/26/61/41/1066266141.db2.gz AOWQAZCXRWQXQX-HSZRJFAPSA-N 1 1 457.618 4.812 20 0 JJADMO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)[C@H](F)CN(Cc3ccccc3)Cc3ccccc3)C2)c1 ZINC001454308026 1066267739 /nfs/dbraw/zinc/26/77/39/1066267739.db2.gz DKQZMYNPYDXOJO-WUFINQPMSA-N 1 1 459.609 4.726 20 0 JJADMO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H](F)CN(Cc3ccccc3)Cc3ccccc3)C2)c1 ZINC001454308004 1066268005 /nfs/dbraw/zinc/26/80/05/1066268005.db2.gz DKQZMYNPYDXOJO-IZLXSDGUSA-N 1 1 459.609 4.726 20 0 JJADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2cnnn2-c2cccc(Cl)c2Cl)CC1 ZINC001443101927 1066268798 /nfs/dbraw/zinc/26/87/98/1066268798.db2.gz JJDRVWYNEAAASF-UHFFFAOYSA-N 1 1 458.393 4.558 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001361048327 1066277034 /nfs/dbraw/zinc/27/70/34/1066277034.db2.gz VKCZFIRIPWVQGK-AGILITTLSA-N 1 1 457.659 4.877 20 0 JJADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC001454396023 1066277567 /nfs/dbraw/zinc/27/75/67/1066277567.db2.gz BGETZDSLOJZXBZ-DNVCBOLYSA-N 1 1 454.924 4.583 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001361048545 1066277934 /nfs/dbraw/zinc/27/79/34/1066277934.db2.gz XKXOVVYDICZBQX-KAMZKSLDSA-N 1 1 457.659 4.877 20 0 JJADMO CC[C@]1(C)CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC001546061539 1066281477 /nfs/dbraw/zinc/28/14/77/1066281477.db2.gz BQQDBUQIVOPIST-IXGWMPLNSA-N 1 1 475.703 4.773 20 0 JJADMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl ZINC001443219207 1066282288 /nfs/dbraw/zinc/28/22/88/1066282288.db2.gz SYEWTZMLZXVYFJ-LBPRGKRZSA-N 1 1 452.855 4.639 20 0 JJADMO Cc1cc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@@](C)(O)C(C)C)c2ccccc2n1 ZINC001361049821 1066283571 /nfs/dbraw/zinc/28/35/71/1066283571.db2.gz PMTVQVNQXQQOQJ-MUUNZHRXSA-N 1 1 478.685 4.765 20 0 JJADMO Cc1cc(Br)cc(Cl)c1C(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC001454448135 1066283705 /nfs/dbraw/zinc/28/37/05/1066283705.db2.gz CXQATDOAXUFMDI-UHFFFAOYSA-N 1 1 458.787 4.917 20 0 JJADMO COc1cccc(OCCC(=O)N2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC001443264320 1066286677 /nfs/dbraw/zinc/28/66/77/1066286677.db2.gz JAUATHNGDAVWGS-UHFFFAOYSA-N 1 1 450.501 4.606 20 0 JJADMO Cc1nnc(-c2cccc(C(=O)N3CCC([N@@H+](C)Cc4cccc(C(F)(F)F)c4)CC3)c2)o1 ZINC001443264961 1066287128 /nfs/dbraw/zinc/28/71/28/1066287128.db2.gz KIKOCBLGIMYFBM-UHFFFAOYSA-N 1 1 458.484 4.800 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)C1CCC1 ZINC001443357458 1066300424 /nfs/dbraw/zinc/30/04/24/1066300424.db2.gz OJTDKHSNFRZRKG-SFTDATJTSA-N 1 1 450.023 4.504 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)C1CCC1 ZINC001443357458 1066300437 /nfs/dbraw/zinc/30/04/37/1066300437.db2.gz OJTDKHSNFRZRKG-SFTDATJTSA-N 1 1 450.023 4.504 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)C1 ZINC001443387920 1066304664 /nfs/dbraw/zinc/30/46/64/1066304664.db2.gz QGWMIGJEWDMSSY-QZTJIDSGSA-N 1 1 455.603 4.571 20 0 JJADMO Cc1cc(CN(C)c2nnc(CSc3ccc(Cl)cc3)n2C[C@H](C)[N@@H+](C)C2CC2)no1 ZINC001361066467 1066305905 /nfs/dbraw/zinc/30/59/05/1066305905.db2.gz KFWUCIAYOBISPX-HNNXBMFYSA-N 1 1 461.035 4.639 20 0 JJADMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(Sc2ccccc2Cl)nn1 ZINC001443409072 1066307574 /nfs/dbraw/zinc/30/75/74/1066307574.db2.gz MYKIAHJVQPUZAZ-IBGZPJMESA-N 1 1 453.011 4.576 20 0 JJADMO Cc1cc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC[N@H+](C(C)C)CC2)cs1 ZINC001361070933 1066311121 /nfs/dbraw/zinc/31/11/21/1066311121.db2.gz YUKJJRKCMMCTKH-LJQANCHMSA-N 1 1 457.619 4.896 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)c2cc(O)ccc2C(F)(F)F)cc1 ZINC001454632714 1066312728 /nfs/dbraw/zinc/31/27/28/1066312728.db2.gz IBSVGXNSYXMZIH-LADGPHEKSA-N 1 1 470.491 4.818 20 0 JJADMO Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc([C@@H]4C[C@H]4NC(=O)OC(C)(C)C)cc3)CC2)cs1 ZINC001454712527 1066324448 /nfs/dbraw/zinc/32/44/48/1066324448.db2.gz WRLTWEDEGNZRRP-FCHUYYIVSA-N 1 1 470.639 4.683 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N(C)[C@H]2CCSC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001361087303 1066326177 /nfs/dbraw/zinc/32/61/77/1066326177.db2.gz GHAFGVUJAFWPLR-FPOVZHCZSA-N 1 1 478.106 4.678 20 0 JJADMO CC1(C)CN(C(=O)C[C@H](O)c2ccc(OCc3ccccc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001443547603 1066327576 /nfs/dbraw/zinc/32/75/76/1066327576.db2.gz GFFIBTWNXUONSS-MHZLTWQESA-N 1 1 458.602 4.812 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@H](C)[C@H]2C)n1CC[N@@H+]1CCOCC1(C)C ZINC001361088636 1066331981 /nfs/dbraw/zinc/33/19/81/1066331981.db2.gz KMUVYIHIOBTSLV-PZJWPPBQSA-N 1 1 490.092 4.597 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@H](C)[C@H]2C)n1CC[N@H+]1CCOCC1(C)C ZINC001361088636 1066331995 /nfs/dbraw/zinc/33/19/95/1066331995.db2.gz KMUVYIHIOBTSLV-PZJWPPBQSA-N 1 1 490.092 4.597 20 0 JJADMO CC[N@@H+](Cc1ccc(C(=O)N2CCC(O)(Cc3nc(C(C)(C)C)cs3)CC2)cc1)C(C)C ZINC001454781733 1066333508 /nfs/dbraw/zinc/33/35/08/1066333508.db2.gz OCUOPWVZZJEJDT-UHFFFAOYSA-N 1 1 457.684 4.881 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001361089011 1066334460 /nfs/dbraw/zinc/33/44/60/1066334460.db2.gz OUHZRMJQNDBGMA-ILWGZMRPSA-N 1 1 490.092 4.597 20 0 JJADMO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N2CC3(CCCCCC3)[C@@H]2c2ccccc2)CC1 ZINC001454826794 1066335641 /nfs/dbraw/zinc/33/56/41/1066335641.db2.gz VTSHXRUXDXGASF-DEOSSOPVSA-N 1 1 455.643 4.900 20 0 JJADMO CC[C@@]1(C)CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC[N@@H+](C)CCCOC)C1 ZINC001546066005 1066338695 /nfs/dbraw/zinc/33/86/95/1066338695.db2.gz FDRRWUSBSIAXSA-QHCPKHFHSA-N 1 1 478.479 4.611 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCSC[C@H]2C)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001361090136 1066338680 /nfs/dbraw/zinc/33/86/80/1066338680.db2.gz ATBMAGMOHPPXDQ-TZIWHRDSSA-N 1 1 492.133 4.925 20 0 JJADMO CC(C)[C@H]1CN(C(=O)[C@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)CC[N@H+]1C ZINC001454891319 1066339350 /nfs/dbraw/zinc/33/93/50/1066339350.db2.gz PCQVYNKLBNYVPD-MJGOQNOKSA-N 1 1 458.430 4.700 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCSCC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001361091554 1066341176 /nfs/dbraw/zinc/34/11/76/1066341176.db2.gz QPMZABINRFKRFW-CTNGQTDRSA-N 1 1 492.133 4.925 20 0 JJADMO Cc1cccc(N(C)c2nnc(Cc3ccsc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361102846 1066352530 /nfs/dbraw/zinc/35/25/30/1066352530.db2.gz HVBZGBOVTCJLIF-BGYRXZFFSA-N 1 1 453.656 4.895 20 0 JJADMO Cc1cccc(O[C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC001361108238 1066357111 /nfs/dbraw/zinc/35/71/11/1066357111.db2.gz UYQPPIHOTCSTPM-NRFANRHFSA-N 1 1 450.631 4.606 20 0 JJADMO Cc1nc2ccc(Br)cn2c1C(=O)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001455070115 1066357398 /nfs/dbraw/zinc/35/73/98/1066357398.db2.gz DZDCSJKIKRDABG-HXUWFJFHSA-N 1 1 455.400 4.532 20 0 JJADMO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N2CCC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC001455079423 1066357968 /nfs/dbraw/zinc/35/79/68/1066357968.db2.gz ADPJEXGUGODWOQ-KKUQBAQOSA-N 1 1 462.634 4.791 20 0 JJADMO O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@H]1COc2ccc(Cl)cc2C1 ZINC001443764746 1066364593 /nfs/dbraw/zinc/36/45/93/1066364593.db2.gz HSGMRLMQLLXHPW-MRXNPFEDSA-N 1 1 453.797 4.979 20 0 JJADMO CC(C)CC(=O)N1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001443774364 1066366286 /nfs/dbraw/zinc/36/62/86/1066366286.db2.gz ZOZWABIGMXLODO-OAQYLSRUSA-N 1 1 454.442 4.501 20 0 JJADMO CN(C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001443781888 1066367105 /nfs/dbraw/zinc/36/71/05/1066367105.db2.gz RWPTZYDMRFKINO-JOCHJYFZSA-N 1 1 457.703 4.547 20 0 JJADMO CN(C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001443781888 1066367119 /nfs/dbraw/zinc/36/71/19/1066367119.db2.gz RWPTZYDMRFKINO-JOCHJYFZSA-N 1 1 457.703 4.547 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N(C)CCC(F)(F)F)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001361124078 1066377155 /nfs/dbraw/zinc/37/71/55/1066377155.db2.gz WFZKSYYVFIXXBT-UHFFFAOYSA-N 1 1 497.606 4.788 20 0 JJADMO CC[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1)OC ZINC001545962933 1066378575 /nfs/dbraw/zinc/37/85/75/1066378575.db2.gz MUYDPXBSQHBGQM-GBXCKJPGSA-N 1 1 453.675 4.978 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H]4CCC[N@H+]4C[C@@H]3C)n2CCCOC(F)F)c1 ZINC001361126300 1066383531 /nfs/dbraw/zinc/38/35/31/1066383531.db2.gz PWDBSPSNHYLPPO-VQTJNVASSA-N 1 1 477.600 4.591 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@@H]2CCC[N@H+]2CCCO)c1 ZINC001361126561 1066385511 /nfs/dbraw/zinc/38/55/11/1066385511.db2.gz UYCRSMHGSIVJOO-SMIHKQSGSA-N 1 1 483.701 4.618 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCCC[C@H](C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC001361127158 1066387171 /nfs/dbraw/zinc/38/71/71/1066387171.db2.gz GHQIRHLXRANWGK-DEOSSOPVSA-N 1 1 496.744 4.941 20 0 JJADMO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)NC[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC001455420802 1066388453 /nfs/dbraw/zinc/38/84/53/1066388453.db2.gz NUWGNAFRIOABBL-DOEKTCAHSA-N 1 1 463.021 4.756 20 0 JJADMO CC[C@]1(C)CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C1 ZINC001546072590 1066389896 /nfs/dbraw/zinc/38/98/96/1066389896.db2.gz HKOQHGRGSFWPGG-KDYSTLNUSA-N 1 1 453.675 4.762 20 0 JJADMO CC[C@]1(C)CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C1 ZINC001546072590 1066389909 /nfs/dbraw/zinc/38/99/09/1066389909.db2.gz HKOQHGRGSFWPGG-KDYSTLNUSA-N 1 1 453.675 4.762 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2CC[N@@H+]2CC=CCC2)c1 ZINC001361131134 1066398550 /nfs/dbraw/zinc/39/85/50/1066398550.db2.gz YZDKROSWMZPWLZ-QFIPXVFZSA-N 1 1 467.658 4.555 20 0 JJADMO Cc1ccc(OCCC(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)c(Br)c1 ZINC001455509254 1066400885 /nfs/dbraw/zinc/40/08/85/1066400885.db2.gz OMBYUPFKSNNMDI-YKSBVNFPSA-N 1 1 457.412 4.507 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC[C@@H]3C)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001361132501 1066403050 /nfs/dbraw/zinc/40/30/50/1066403050.db2.gz ZOOQZRRJZUAFDZ-QFIPXVFZSA-N 1 1 469.674 4.636 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H](C)c2ccc(C)cc2)o1 ZINC001361136218 1066410207 /nfs/dbraw/zinc/41/02/07/1066410207.db2.gz WCPDTPCNBWDLTB-ILWGZMRPSA-N 1 1 451.615 4.504 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H](C)c2ccc(C)cc2)o1 ZINC001361136218 1066410213 /nfs/dbraw/zinc/41/02/13/1066410213.db2.gz WCPDTPCNBWDLTB-ILWGZMRPSA-N 1 1 451.615 4.504 20 0 JJADMO CC(C)(C)OC(=O)c1ccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1 ZINC001361136027 1066410384 /nfs/dbraw/zinc/41/03/84/1066410384.db2.gz JJMRNHMJPYHIML-DHIUTWEWSA-N 1 1 477.630 4.630 20 0 JJADMO CC[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[N@H+](C2CCCC2)CC1)OC ZINC001545964612 1066411894 /nfs/dbraw/zinc/41/18/94/1066411894.db2.gz HRAVVJIUVQKWEQ-IBGZPJMESA-N 1 1 450.002 4.617 20 0 JJADMO CN(Cc1ccc(Cl)cc1Oc1cc(Cl)ccc1Cl)C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001455580684 1066412234 /nfs/dbraw/zinc/41/22/34/1066412234.db2.gz FIJVSKYBHTZUTK-HRAATJIYSA-N 1 1 457.785 4.853 20 0 JJADMO O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(OCc2ccncc2)cc1 ZINC001444140279 1066414750 /nfs/dbraw/zinc/41/47/50/1066414750.db2.gz RDDYDMSKMGHDJY-JOCHJYFZSA-N 1 1 455.480 4.684 20 0 JJADMO CC(C)N1CC[NH+](CCCC(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)CC1 ZINC001444143112 1066416315 /nfs/dbraw/zinc/41/63/15/1066416315.db2.gz ZVOIAOBUFXMQFJ-UHFFFAOYSA-N 1 1 450.505 4.637 20 0 JJADMO Cc1ccc([C@H](Cn2c(N3CCC(CCCN4CCOCC4)CC3)nnc2C(C)(C)C)[NH+](C)C)cc1 ZINC001361140785 1066418870 /nfs/dbraw/zinc/41/88/70/1066418870.db2.gz GTQWYTOFLDHHAE-SANMLTNESA-N 1 1 496.744 4.516 20 0 JJADMO Cc1ccc(C)c(N2CCN(c3nnc(C(C)(C)C)n3CC[N@H+](C)C3CCCCC3)CC2)c1 ZINC001361142073 1066423639 /nfs/dbraw/zinc/42/36/39/1066423639.db2.gz UYHFMSGWQUNXAF-UHFFFAOYSA-N 1 1 452.691 4.784 20 0 JJADMO C[C@@H]1C[C@H]2CC[C@H](C(=O)Nc3ccc(CNC(=O)c4ccc(C(F)(F)F)cc4)cc3)C[N@H+]2C1 ZINC001444176502 1066425623 /nfs/dbraw/zinc/42/56/23/1066425623.db2.gz PIJWPGUGQCACKK-GTCCEBARSA-N 1 1 459.512 4.694 20 0 JJADMO COC(=O)CCc1ccc(O)c(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)c1 ZINC001455723371 1066427581 /nfs/dbraw/zinc/42/75/81/1066427581.db2.gz XWIMCXAERXGXIG-FUFSCUOVSA-N 1 1 472.585 4.526 20 0 JJADMO Cc1ccc(CN(C)c2nnc(COc3cc(C)ccc3C)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001361146009 1066430977 /nfs/dbraw/zinc/43/09/77/1066430977.db2.gz OTPAWMFDQOWDNY-ZRZAMGCNSA-N 1 1 495.668 4.900 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@@H]2CC=CCC2)c1 ZINC001361146032 1066431703 /nfs/dbraw/zinc/43/17/03/1066431703.db2.gz PIAGVNPHELYGEN-XMMPIXPASA-N 1 1 481.685 4.625 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)CC(F)(F)F)n2CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001361146114 1066431754 /nfs/dbraw/zinc/43/17/54/1066431754.db2.gz SFXURLWHXVROHG-IBGZPJMESA-N 1 1 453.553 4.737 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC001444247145 1066433767 /nfs/dbraw/zinc/43/37/67/1066433767.db2.gz IELWTZQWAUIZDT-ONTIZHBOSA-N 1 1 458.647 4.693 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1(C)C ZINC001455806816 1066434439 /nfs/dbraw/zinc/43/44/39/1066434439.db2.gz ZIFUNTKPEHFWMN-RBZQAINGSA-N 1 1 469.670 4.687 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)Cc3cscn3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001361148596 1066435692 /nfs/dbraw/zinc/43/56/92/1066435692.db2.gz PRIFERUBSRKPDE-PZJWPPBQSA-N 1 1 468.671 4.687 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)Cc3cscn3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361148597 1066435886 /nfs/dbraw/zinc/43/58/86/1066435886.db2.gz PRIFERUBSRKPDE-TZIWHRDSSA-N 1 1 468.671 4.687 20 0 JJADMO CC(C)(C)OC(=O)Nc1ccnc(CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)c1 ZINC001455889546 1066446802 /nfs/dbraw/zinc/44/68/02/1066446802.db2.gz MZOMZPCBSVVSAW-SFHVURJKSA-N 1 1 453.587 4.552 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCC(CCCO)CC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001361155229 1066453054 /nfs/dbraw/zinc/45/30/54/1066453054.db2.gz QCMXBTRMBMPPGF-RUZDIDTESA-N 1 1 483.701 4.583 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCC(CCCO)CC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001361155230 1066453632 /nfs/dbraw/zinc/45/36/32/1066453632.db2.gz QCMXBTRMBMPPGF-VWLOTQADSA-N 1 1 483.701 4.583 20 0 JJADMO CC(C)c1ncc(Br)c(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)n1 ZINC001444429337 1066461277 /nfs/dbraw/zinc/46/12/77/1066461277.db2.gz JGUOEKOJCNKIOV-UHFFFAOYSA-N 1 1 457.372 4.518 20 0 JJADMO CC(C)c1ncc(Br)c(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)n1 ZINC001444429337 1066461286 /nfs/dbraw/zinc/46/12/86/1066461286.db2.gz JGUOEKOJCNKIOV-UHFFFAOYSA-N 1 1 457.372 4.518 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1 ZINC001444461716 1066463270 /nfs/dbraw/zinc/46/32/70/1066463270.db2.gz VFUFJFQISYDNNX-VWLOTQADSA-N 1 1 451.998 4.846 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1 ZINC001444461716 1066463277 /nfs/dbraw/zinc/46/32/77/1066463277.db2.gz VFUFJFQISYDNNX-VWLOTQADSA-N 1 1 451.998 4.846 20 0 JJADMO CC(C)(C)OC(=O)/C=C/c1cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)co1 ZINC001361161456 1066467034 /nfs/dbraw/zinc/46/70/34/1066467034.db2.gz YVWFAUNRPUWJMT-JZILDOMLSA-N 1 1 450.579 4.763 20 0 JJADMO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc3nc(N4CC[NH+](C)CC4)sc3c2)c1 ZINC001455991803 1066468417 /nfs/dbraw/zinc/46/84/17/1066468417.db2.gz QQICZZXDKYOJJJ-SFHVURJKSA-N 1 1 452.624 4.886 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1cccc(COC2CCOCC2)c1 ZINC001456010629 1066471723 /nfs/dbraw/zinc/47/17/23/1066471723.db2.gz RTFSFRAUBLAAEQ-IXCJQBJRSA-N 1 1 464.650 4.793 20 0 JJADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 ZINC001444557270 1066474903 /nfs/dbraw/zinc/47/49/03/1066474903.db2.gz RTDUKQNHAPZZOK-LXFBAYGMSA-N 1 1 450.623 4.772 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCS[C@@H](C)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001361164229 1066475859 /nfs/dbraw/zinc/47/58/59/1066475859.db2.gz ZANUOWOVTLNIAU-UNMCSNQZSA-N 1 1 471.715 4.926 20 0 JJADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1sc(SC(F)(F)F)nc1C ZINC001444562093 1066476403 /nfs/dbraw/zinc/47/64/03/1066476403.db2.gz XBILTVQHPFMTEA-QGZVFWFLSA-N 1 1 457.587 4.977 20 0 JJADMO Cc1ccc(C2(C)CCN(c3nnc(C(C)C)n3C[C@H]3C[N@@H+](CC(C)C)CCO3)CC2)cc1 ZINC001361166738 1066478419 /nfs/dbraw/zinc/47/84/19/1066478419.db2.gz ZZGWLCBRBWIKLN-XMMPIXPASA-N 1 1 453.675 4.625 20 0 JJADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)CCCOc3ccc(C)cc3C)CC2)c1C ZINC001456034677 1066485241 /nfs/dbraw/zinc/48/52/41/1066485241.db2.gz AVYPJXBSYWEZIX-UHFFFAOYSA-N 1 1 453.627 4.606 20 0 JJADMO Cc1ccc(-c2nnc(N(C)[C@H]3CCOC3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1Br ZINC001361174464 1066491130 /nfs/dbraw/zinc/49/11/30/1066491130.db2.gz RRNFLDDTUJKDFI-ICSRJNTNSA-N 1 1 476.463 4.506 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CC(F)(F)F)n2C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)o1 ZINC001361175574 1066493331 /nfs/dbraw/zinc/49/33/31/1066493331.db2.gz RNTANRHFTIBPCZ-MAUKXSAKSA-N 1 1 453.534 4.990 20 0 JJADMO COc1ccc([C@@H](NC(=O)CCC[NH+]2CCN(C(C)C)CC2)c2ccccc2Cl)c(C)c1 ZINC001444710666 1066495917 /nfs/dbraw/zinc/49/59/17/1066495917.db2.gz ZFONDVXNTNJBCH-AREMUKBSSA-N 1 1 458.046 4.669 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3ccc(F)c(Cl)c3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)o1 ZINC001361178430 1066498812 /nfs/dbraw/zinc/49/88/12/1066498812.db2.gz MIUGEZIECSDXOA-IBGZPJMESA-N 1 1 475.996 4.632 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3ccon3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc1Br ZINC001361182857 1066505212 /nfs/dbraw/zinc/50/52/12/1066505212.db2.gz CLKDEJRMXQIJOZ-SFHVURJKSA-N 1 1 487.446 4.761 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCC(F)(F)F ZINC001361184541 1066507520 /nfs/dbraw/zinc/50/75/20/1066507520.db2.gz MZTPIQQUZFIHDQ-UHFFFAOYSA-N 1 1 485.352 5.000 20 0 JJADMO CC[C@@]1(C)CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001546079453 1066510486 /nfs/dbraw/zinc/51/04/86/1066510486.db2.gz MSDUCMDLEYBESA-LVXARBLLSA-N 1 1 455.647 4.613 20 0 JJADMO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC001456104366 1066510540 /nfs/dbraw/zinc/51/05/40/1066510540.db2.gz MRSZOBFFEDRUMI-QGZVFWFLSA-N 1 1 454.571 4.774 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)o1 ZINC001361188630 1066514010 /nfs/dbraw/zinc/51/40/10/1066514010.db2.gz WSOBVYXUEXVGKB-OALUTQOASA-N 1 1 483.579 4.762 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)o1 ZINC001361188630 1066514019 /nfs/dbraw/zinc/51/40/19/1066514019.db2.gz WSOBVYXUEXVGKB-OALUTQOASA-N 1 1 483.579 4.762 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCOc3ccccc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)o1 ZINC001361190576 1066515541 /nfs/dbraw/zinc/51/55/41/1066515541.db2.gz LTSCJZBUYUQMHZ-QFIPXVFZSA-N 1 1 451.615 4.730 20 0 JJADMO CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001444894912 1066516958 /nfs/dbraw/zinc/51/69/58/1066516958.db2.gz TZCPZOJBVYQHEV-YKSBVNFPSA-N 1 1 456.030 4.608 20 0 JJADMO C[C@H](c1ccc(NC(=O)c2ccc(OC(F)F)c(Br)c2)cc1)[NH+]1CCOCC1 ZINC001456157448 1066525745 /nfs/dbraw/zinc/52/57/45/1066525745.db2.gz LXYADLPVQXLPKR-CYBMUJFWSA-N 1 1 455.299 4.696 20 0 JJADMO Cc1ccc(-c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)n2CCCOCC(C)C)cc1Br ZINC001361198180 1066527013 /nfs/dbraw/zinc/52/70/13/1066527013.db2.gz LAFRHOLXPXODGJ-CTNGQTDRSA-N 1 1 490.490 4.752 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2Cl)C1 ZINC001445036901 1066531539 /nfs/dbraw/zinc/53/15/39/1066531539.db2.gz VGHUZXHVEOKKRK-HXUWFJFHSA-N 1 1 458.002 4.962 20 0 JJADMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccccc3CNC(=O)OC(C)(C)C)cc2)C1 ZINC001445049560 1066533727 /nfs/dbraw/zinc/53/37/27/1066533727.db2.gz PEBKKQXXBBZDLJ-LJQANCHMSA-N 1 1 453.583 4.684 20 0 JJADMO Cc1sc2ncnc(SCC(=O)Nc3ccc(OCC[N@@H+]4CC[C@@H](C)C4)cc3)c2c1C ZINC001445049509 1066533769 /nfs/dbraw/zinc/53/37/69/1066533769.db2.gz OZUFEPJYOXEWID-OAHLLOKOSA-N 1 1 456.637 4.760 20 0 JJADMO Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N[C@H]3CC[N@@H+](C)[C@H](C)C3)cc12 ZINC001445054911 1066534783 /nfs/dbraw/zinc/53/47/83/1066534783.db2.gz PAFVGKNXIFUWKP-WBMJQRKESA-N 1 1 451.423 4.974 20 0 JJADMO Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc12 ZINC001445054903 1066534868 /nfs/dbraw/zinc/53/48/68/1066534868.db2.gz PAFVGKNXIFUWKP-MLGOLLRUSA-N 1 1 451.423 4.974 20 0 JJADMO CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001445086267 1066537962 /nfs/dbraw/zinc/53/79/62/1066537962.db2.gz WYCSWQSKAJPDNR-AREMUKBSSA-N 1 1 457.659 4.832 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001445086784 1066538150 /nfs/dbraw/zinc/53/81/50/1066538150.db2.gz YAYATGGDLGLZAG-AZSVPQILSA-N 1 1 455.643 4.585 20 0 JJADMO Cc1ccc(NCCCNC(=O)[C@@H](Oc2ccccc2Br)c2ccccc2)[nH+]c1 ZINC001445089894 1066538669 /nfs/dbraw/zinc/53/86/69/1066538669.db2.gz JAUBEWVTRLIMIV-QFIPXVFZSA-N 1 1 454.368 4.891 20 0 JJADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3cc(C)n(C4CCCCC4)c3C)cc2)CC1 ZINC001445224054 1066547033 /nfs/dbraw/zinc/54/70/33/1066547033.db2.gz AXCYJCBWLBFYMC-UHFFFAOYSA-N 1 1 450.627 4.569 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)o1 ZINC001361212592 1066547486 /nfs/dbraw/zinc/54/74/86/1066547486.db2.gz NXPZWGHTLVPJDS-IFMALSPDSA-N 1 1 498.716 4.736 20 0 JJADMO CC[C@H](Cn1c(-c2cccn2C)nnc1N(C)CCC(F)(F)F)[N@H+]1CCc2ccccc2C1 ZINC001545973144 1066549187 /nfs/dbraw/zinc/54/91/87/1066549187.db2.gz SUTXTUKMQUJPCY-HXUWFJFHSA-N 1 1 460.548 4.509 20 0 JJADMO COc1ccc(C(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)c(C)c1OC ZINC001361220634 1066558127 /nfs/dbraw/zinc/55/81/27/1066558127.db2.gz XXGWCSJIAXFRLU-LJQANCHMSA-N 1 1 450.501 4.539 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[NH+]([C@@H](C)c4ccsc4)CC3)n2C[C@](C)(O)CCC(C)C)o1 ZINC001361220843 1066558576 /nfs/dbraw/zinc/55/85/76/1066558576.db2.gz GKDFKJSFDDHUMY-NBGIEHNGSA-N 1 1 471.671 4.978 20 0 JJADMO C[C@H](CCNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC001445358610 1066562102 /nfs/dbraw/zinc/56/21/02/1066562102.db2.gz ADPNZTMZVRBYMF-HYBUGGRVSA-N 1 1 451.611 4.548 20 0 JJADMO C[C@@H](CCNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC001445358621 1066562208 /nfs/dbraw/zinc/56/22/08/1066562208.db2.gz ADPNZTMZVRBYMF-RDPSFJRHSA-N 1 1 451.611 4.548 20 0 JJADMO CCN(C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC(C)C)C1)CC(F)(F)F ZINC001445372735 1066564011 /nfs/dbraw/zinc/56/40/11/1066564011.db2.gz PKRBUFXQLUHULC-YTFSRNRJSA-N 1 1 453.593 4.513 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC001456342556 1066565889 /nfs/dbraw/zinc/56/58/89/1066565889.db2.gz OCDORLLHOFGYEK-KIFXHHALSA-N 1 1 459.556 4.949 20 0 JJADMO Cc1ccc(-c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCC[N@H+](C)C(C)C)cc1Br ZINC001361227577 1066566156 /nfs/dbraw/zinc/56/61/56/1066566156.db2.gz QGDKCBJBBJFZFG-OAQYLSRUSA-N 1 1 492.506 4.998 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCSC[C@@H]1C ZINC001361230868 1066570427 /nfs/dbraw/zinc/57/04/27/1066570427.db2.gz DXRVHRCLHJTJFA-KRWDZBQOSA-N 1 1 489.487 4.943 20 0 JJADMO CC[C@H](NC(=O)c1cc(CCc2ccccc2)ccc1O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001445491205 1066577346 /nfs/dbraw/zinc/57/73/46/1066577346.db2.gz NIKSPTVASGDQFT-XCZPVHLTSA-N 1 1 458.602 4.587 20 0 JJADMO CC[C@H](NC(=O)c1cc(CCc2ccccc2)ccc1O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001445491205 1066577352 /nfs/dbraw/zinc/57/73/52/1066577352.db2.gz NIKSPTVASGDQFT-XCZPVHLTSA-N 1 1 458.602 4.587 20 0 JJADMO CCOc1cc2c(cc1CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C)O[C@@H](C)C2 ZINC001361238497 1066578513 /nfs/dbraw/zinc/57/85/13/1066578513.db2.gz OXOYUINPUFQZDM-PMACEKPBSA-N 1 1 452.595 4.592 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001445516181 1066579761 /nfs/dbraw/zinc/57/97/61/1066579761.db2.gz NDBVQUPIUQNZMO-SKWRMQMOSA-N 1 1 459.675 4.931 20 0 JJADMO CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC001445522325 1066580964 /nfs/dbraw/zinc/58/09/64/1066580964.db2.gz GEEMAFBCPQQRQA-CJRSTVEYSA-N 1 1 455.643 4.583 20 0 JJADMO COc1cc(Cl)c(Br)cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001361243124 1066584779 /nfs/dbraw/zinc/58/47/79/1066584779.db2.gz VIRQIFSGVAKDGU-ZBFHGGJFSA-N 1 1 451.792 4.894 20 0 JJADMO O=C(c1ccc(-c2ccc(F)cc2)cc1F)N1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001456435009 1066584934 /nfs/dbraw/zinc/58/49/34/1066584934.db2.gz WRDGZEJKQAQULW-UHFFFAOYSA-N 1 1 450.529 4.997 20 0 JJADMO CC(C)(C)c1ccc([C@H](O)CCC(=O)N2CCC[N@@H+](Cc3ccccc3)CCOCC2)cc1 ZINC001456437376 1066585948 /nfs/dbraw/zinc/58/59/48/1066585948.db2.gz NCPLHWKUQXOWQP-AREMUKBSSA-N 1 1 452.639 4.549 20 0 JJADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cccc(F)c2I)CC1 ZINC001445564646 1066588623 /nfs/dbraw/zinc/58/86/23/1066588623.db2.gz CXRNEYYUAJJMOM-OAHLLOKOSA-N 1 1 458.359 4.547 20 0 JJADMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccccc3SCC(=O)NC3CCCCCCC3)CC[C@@H]21 ZINC001445576727 1066590164 /nfs/dbraw/zinc/59/01/64/1066590164.db2.gz WEQZSKDGOQNOGF-OFNKIYASSA-N 1 1 457.684 4.564 20 0 JJADMO Cc1ccc(CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)[NH+]2CCOCC2)o1 ZINC001361249970 1066595038 /nfs/dbraw/zinc/59/50/38/1066595038.db2.gz MJSMUZDVIFWQFZ-LJQANCHMSA-N 1 1 451.615 4.501 20 0 JJADMO Cc1ccc(CN(C)c2nnc(-c3cc(F)ccc3Br)n2CCn2cc[nH+]c2C)o1 ZINC001361250028 1066595576 /nfs/dbraw/zinc/59/55/76/1066595576.db2.gz OFUDEXLIBAZCJK-UHFFFAOYSA-N 1 1 473.350 4.590 20 0 JJADMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3ccccc3SCc3ccco3)C2)cc(OC)c1 ZINC001445618854 1066595922 /nfs/dbraw/zinc/59/59/22/1066595922.db2.gz QMKWBJKJZPGJKQ-LJQANCHMSA-N 1 1 452.576 4.593 20 0 JJADMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)c3ccccc3SCc3ccco3)C2)cc(OC)c1 ZINC001445618854 1066595931 /nfs/dbraw/zinc/59/59/31/1066595931.db2.gz QMKWBJKJZPGJKQ-LJQANCHMSA-N 1 1 452.576 4.593 20 0 JJADMO Cc1ccc(CN(C)c2nnc(-c3cccc(Br)c3)n2CC[N@@H+]2CC=CCC2)o1 ZINC001361250020 1066595854 /nfs/dbraw/zinc/59/58/54/1066595854.db2.gz OAPFFYDVOULYCO-UHFFFAOYSA-N 1 1 456.388 4.507 20 0 JJADMO O=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001445631089 1066596420 /nfs/dbraw/zinc/59/64/20/1066596420.db2.gz NZMKTHOWVGQTMN-NRFANRHFSA-N 1 1 450.411 4.748 20 0 JJADMO Cc1cccc(Oc2ccc(C(=O)Nc3ccc(C(=O)N(C)[C@H]4CCC[N@@H+](C)C4)cc3)nc2)c1 ZINC001456499299 1066601586 /nfs/dbraw/zinc/60/15/86/1066601586.db2.gz JGQBPGCDQOZPIB-QFIPXVFZSA-N 1 1 458.562 4.601 20 0 JJADMO COc1ccc2cc([C@H](C)C(=O)Nc3ccc(C(=O)N(C)[C@H]4CCC[N@@H+](C)C4)cc3)ccc2c1 ZINC001456501813 1066602966 /nfs/dbraw/zinc/60/29/66/1066602966.db2.gz YECSYEADNOJQBE-DFBJGRDBSA-N 1 1 459.590 4.757 20 0 JJADMO C[N@@H+](CCC(=O)N1CCC(CNC(=O)OC(C)(C)C)(c2ccccc2)CC1)C1CCCCC1 ZINC001456518292 1066609919 /nfs/dbraw/zinc/60/99/19/1066609919.db2.gz POXOUOUGZQECPK-UHFFFAOYSA-N 1 1 457.659 4.726 20 0 JJADMO COc1ccc(C(=O)C2CCN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3CC(C)C)CC2)cc1 ZINC001456538973 1066618677 /nfs/dbraw/zinc/61/86/77/1066618677.db2.gz JRAUODXNKRRKJN-XNMGPUDCSA-N 1 1 462.634 4.911 20 0 JJADMO CC(C)(C)n1ccnc1SCC(=O)N[C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001456548304 1066622707 /nfs/dbraw/zinc/62/27/07/1066622707.db2.gz MCLRETUHBTVRLU-WNCULLNHSA-N 1 1 462.663 4.905 20 0 JJADMO C[C@H](C(=O)N1CCC[C@@]1(C)Cc1ccc(Cl)s1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001456568127 1066627806 /nfs/dbraw/zinc/62/78/06/1066627806.db2.gz OXOOTNVJQRZCTK-HXOBKFHXSA-N 1 1 450.023 4.675 20 0 JJADMO C[C@@H](C(=O)N1CCC[C@@]1(C)Cc1ccc(Cl)s1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001456568131 1066627886 /nfs/dbraw/zinc/62/78/86/1066627886.db2.gz OXOOTNVJQRZCTK-SBUREZEXSA-N 1 1 450.023 4.675 20 0 JJADMO C[C@@H](C(=O)N1CCC[C@]1(C)Cc1ccc(Cl)s1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001456568123 1066627910 /nfs/dbraw/zinc/62/79/10/1066627910.db2.gz OXOOTNVJQRZCTK-GAJHUEQPSA-N 1 1 450.023 4.675 20 0 JJADMO Cc1ccc(Cn2c(CC(C)C)nnc2N2CCC[N@H+](C(C)C)CC2)c(OCC(F)(F)F)c1 ZINC001361285951 1066644383 /nfs/dbraw/zinc/64/43/83/1066644383.db2.gz JIHWUPXSSIECKL-UHFFFAOYSA-N 1 1 467.580 4.695 20 0 JJADMO C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001456636790 1066653509 /nfs/dbraw/zinc/65/35/09/1066653509.db2.gz SQSQRMGLOFJPCY-ZBCONREDSA-N 1 1 469.670 4.544 20 0 JJADMO Cc1ccccc1OCCN(C)c1nnc([C@H]2CCCOC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492601498 1066656280 /nfs/dbraw/zinc/65/62/80/1066656280.db2.gz DIKDIRJJZVIGPW-ZDXQCDESSA-N 1 1 483.701 4.752 20 0 JJADMO Cc1ccccc1OCCCn1c(Cc2ccsc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001492600912 1066656455 /nfs/dbraw/zinc/65/64/55/1066656455.db2.gz TYCXNMFUHFGWER-UHFFFAOYSA-N 1 1 453.656 4.628 20 0 JJADMO Cc1ccccc1OCCN(C)c1nnc(Cc2ccsc2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001492601868 1066657125 /nfs/dbraw/zinc/65/71/25/1066657125.db2.gz JFUKEZCWUVWFTN-UNMCSNQZSA-N 1 1 467.683 4.874 20 0 JJADMO O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC001446085176 1066657484 /nfs/dbraw/zinc/65/74/84/1066657484.db2.gz GQMSFOFZFNZLPK-RDGATRHJSA-N 1 1 452.595 4.862 20 0 JJADMO CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001456650861 1066658762 /nfs/dbraw/zinc/65/87/62/1066658762.db2.gz QMEJVEYSBBITOV-VYKTZEHYSA-N 1 1 465.638 4.854 20 0 JJADMO Cc1ccccc1OCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001492602729 1066658958 /nfs/dbraw/zinc/65/89/58/1066658958.db2.gz SSQMURKFDAJXPC-UHFFFAOYSA-N 1 1 469.033 4.692 20 0 JJADMO Cc1ccnc(OC2CCN(c3nnc(C(C)(C)C)n3C[C@H](C)[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC001492606995 1066665137 /nfs/dbraw/zinc/66/51/37/1066665137.db2.gz ACUAIQQMXDCNLO-QFIPXVFZSA-N 1 1 476.669 4.847 20 0 JJADMO CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001456708649 1066671414 /nfs/dbraw/zinc/67/14/14/1066671414.db2.gz CMMJDBABNMDPKG-NVXWUHKLSA-N 1 1 456.578 4.888 20 0 JJADMO Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)N[C@H]3CC[N@@H+](C)[C@@H]3c3ccc(F)cc3)c2)n1 ZINC001446192100 1066673179 /nfs/dbraw/zinc/67/31/79/1066673179.db2.gz FUPGPUHHODCFCV-FCHUYYIVSA-N 1 1 453.949 4.805 20 0 JJADMO Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)N[C@H]3CC[N@H+](C)[C@@H]3c3ccc(F)cc3)c2)n1 ZINC001446192100 1066673186 /nfs/dbraw/zinc/67/31/86/1066673186.db2.gz FUPGPUHHODCFCV-FCHUYYIVSA-N 1 1 453.949 4.805 20 0 JJADMO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001446193760 1066673198 /nfs/dbraw/zinc/67/31/98/1066673198.db2.gz NKGVDDDKHQJFOV-VAFVZNMKSA-N 1 1 455.574 4.589 20 0 JJADMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001446193760 1066673205 /nfs/dbraw/zinc/67/32/05/1066673205.db2.gz NKGVDDDKHQJFOV-VAFVZNMKSA-N 1 1 455.574 4.589 20 0 JJADMO Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3c3ccc(F)cc3)c2)n1 ZINC001446192130 1066673242 /nfs/dbraw/zinc/67/32/42/1066673242.db2.gz FUPGPUHHODCFCV-FGZHOGPDSA-N 1 1 453.949 4.805 20 0 JJADMO Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)N[C@@H]3CC[N@H+](C)[C@@H]3c3ccc(F)cc3)c2)n1 ZINC001446192130 1066673247 /nfs/dbraw/zinc/67/32/47/1066673247.db2.gz FUPGPUHHODCFCV-FGZHOGPDSA-N 1 1 453.949 4.805 20 0 JJADMO C[N@H+]1CC[C@H](NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)[C@@H]1c1ccc(F)cc1 ZINC001446191986 1066673299 /nfs/dbraw/zinc/67/32/99/1066673299.db2.gz LJUVNYMYYDBLQW-KKSFZXQISA-N 1 1 451.489 4.948 20 0 JJADMO CC[C@H](Cn1c(C2CC2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)NC(=O)OC(C)(C)C ZINC001545983186 1066675697 /nfs/dbraw/zinc/67/56/97/1066675697.db2.gz YKACWYRHGGMCIR-KCZVDYSFSA-N 1 1 474.694 4.550 20 0 JJADMO CC[C@@H](Cn1c(C2CC2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001545982715 1066675721 /nfs/dbraw/zinc/67/57/21/1066675721.db2.gz QEBWKFFRIGCEOC-OFNKIYASSA-N 1 1 482.673 4.560 20 0 JJADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(F)(F)c1ccccc1Br ZINC001456736876 1066678333 /nfs/dbraw/zinc/67/83/33/1066678333.db2.gz OBSCFIJWHKMNJW-GOSISDBHSA-N 1 1 451.355 4.912 20 0 JJADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001456737083 1066678422 /nfs/dbraw/zinc/67/84/22/1066678422.db2.gz OOEGNEKKBKLHDJ-ZEQRLZLVSA-N 1 1 457.659 4.784 20 0 JJADMO C[C@H](NC(=O)c1ccc2scc(Br)c2c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001456746403 1066679628 /nfs/dbraw/zinc/67/96/28/1066679628.db2.gz KKNVNYCRHRHSHE-YWZLYKJASA-N 1 1 459.409 4.683 20 0 JJADMO C[C@H](NC(=O)c1ccc2scc(Br)c2c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001456746403 1066679630 /nfs/dbraw/zinc/67/96/30/1066679630.db2.gz KKNVNYCRHRHSHE-YWZLYKJASA-N 1 1 459.409 4.683 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC=C(C)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001492615072 1066679660 /nfs/dbraw/zinc/67/96/60/1066679660.db2.gz YRTASTLCPXPPEF-FYYLOGMGSA-N 1 1 488.076 4.692 20 0 JJADMO C[C@@H](NC(=O)c1ccc(Oc2cccc(Cl)c2)cn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001456743854 1066679785 /nfs/dbraw/zinc/67/97/85/1066679785.db2.gz GYRONVGLTBRGOR-KOSHJBKYSA-N 1 1 451.954 4.547 20 0 JJADMO C[C@@H](NC(=O)c1ccc(Oc2cccc(Cl)c2)cn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001456743854 1066679789 /nfs/dbraw/zinc/67/97/89/1066679789.db2.gz GYRONVGLTBRGOR-KOSHJBKYSA-N 1 1 451.954 4.547 20 0 JJADMO CC1=CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001492615397 1066681215 /nfs/dbraw/zinc/68/12/15/1066681215.db2.gz LGKKWZBSBZZOOT-KRWDZBQOSA-N 1 1 461.452 4.703 20 0 JJADMO CCCc1c(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)nnn1-c1cccc(Cl)c1 ZINC001456774126 1066687164 /nfs/dbraw/zinc/68/71/64/1066687164.db2.gz WIMADDPDDMUVDJ-ZHRRBRCNSA-N 1 1 458.031 4.748 20 0 JJADMO Cc1cnn([C@H]2CCCN(c3nnc([C@H](C)Oc4ccccc4F)n3CCC[N@H+](C)C(C)C)C2)c1 ZINC001492620370 1066689847 /nfs/dbraw/zinc/68/98/47/1066689847.db2.gz DGTDRRVZRHRTQH-VXKWHMMOSA-N 1 1 483.636 4.634 20 0 JJADMO Cc1cnn([C@@H]2CCCN(c3nnc([C@H](C)Oc4cccc(C)c4C)n3CC[N@H+](C)C(C)C)C2)c1 ZINC001492620481 1066690771 /nfs/dbraw/zinc/69/07/71/1066690771.db2.gz GSSFVEWRPFKZRL-BJKOFHAPSA-N 1 1 479.673 4.722 20 0 JJADMO CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)NC[C@@H]2CCCC[N@H+]2C)c1=S ZINC001456799342 1066693501 /nfs/dbraw/zinc/69/35/01/1066693501.db2.gz QGVDXJCEPGLXRE-IBGZPJMESA-N 1 1 450.052 4.525 20 0 JJADMO O=C(NCC1(c2cccc(Br)c2)CCCC1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001446364050 1066696990 /nfs/dbraw/zinc/69/69/90/1066696990.db2.gz GUPGYNRXAZNWOB-HXUWFJFHSA-N 1 1 456.428 4.684 20 0 JJADMO CC[C@H](Cn1c(C2CCCC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)c1ccccc1 ZINC001545985128 1066698583 /nfs/dbraw/zinc/69/85/83/1066698583.db2.gz VSSPEVOQTHDAMT-JOCHJYFZSA-N 1 1 453.675 4.924 20 0 JJADMO C[N@H+]1CCN(C(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)C2(CCCCC2)C1 ZINC001456910707 1066719646 /nfs/dbraw/zinc/71/96/46/1066719646.db2.gz IHMYSBGKKBXHKD-UHFFFAOYSA-N 1 1 451.398 4.843 20 0 JJADMO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001456914835 1066720747 /nfs/dbraw/zinc/72/07/47/1066720747.db2.gz OVAIHPJDQLOPJR-UODIDJSMSA-N 1 1 477.649 4.678 20 0 JJADMO COc1cc(Br)c(Cl)cc1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001456938944 1066726492 /nfs/dbraw/zinc/72/64/92/1066726492.db2.gz MUOHTRKZZUOCMD-INIZCTEOSA-N 1 1 451.792 4.705 20 0 JJADMO CCOC(=O)CC[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)C1 ZINC001446641995 1066727609 /nfs/dbraw/zinc/72/76/09/1066727609.db2.gz XUIUFBMMJMACJR-DOEKTCAHSA-N 1 1 462.634 4.793 20 0 JJADMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3ccc4[nH]cc(I)c4c3)c2C1 ZINC001446638885 1066727655 /nfs/dbraw/zinc/72/76/55/1066727655.db2.gz PAXZSUKPEMRLLJ-UHFFFAOYSA-N 1 1 459.331 4.996 20 0 JJADMO CCOC(=O)CC[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)C1 ZINC001446642103 1066728282 /nfs/dbraw/zinc/72/82/82/1066728282.db2.gz XUIUFBMMJMACJR-FXVJXKIMSA-N 1 1 462.634 4.793 20 0 JJADMO CC[C@@]1(C)CN(c2nnc(-c3cccc(OC)c3)n2CCCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC001546085930 1066735368 /nfs/dbraw/zinc/73/53/68/1066735368.db2.gz VLIGMGFWXPOJKS-LVXARBLLSA-N 1 1 455.647 4.614 20 0 JJADMO COc1ccc(Cl)cc1CC(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456982650 1066735582 /nfs/dbraw/zinc/73/55/82/1066735582.db2.gz JQVTYYXPCCFERB-SFHVURJKSA-N 1 1 454.920 4.804 20 0 JJADMO Cc1csc([C@@H]2CCCN(c3nnc(C(C)(C)C)n3CC(C)(C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)n1 ZINC001492642979 1066737851 /nfs/dbraw/zinc/73/78/51/1066737851.db2.gz WSHMTYIMRWKHCL-HSALFYBXSA-N 1 1 474.719 4.612 20 0 JJADMO CC[C@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CCO1 ZINC001546086003 1066737988 /nfs/dbraw/zinc/73/79/88/1066737988.db2.gz XBYTVOYGUNWLMQ-HTAPYJJXSA-N 1 1 496.519 4.895 20 0 JJADMO Cc1sc(Br)nc1C(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC001457035343 1066749612 /nfs/dbraw/zinc/74/96/12/1066749612.db2.gz HHWSHLMYQSMOIZ-UHFFFAOYSA-N 1 1 458.425 4.988 20 0 JJADMO Cc1csc(CN(C)c2nnc(Cc3ccccn3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001492647542 1066751943 /nfs/dbraw/zinc/75/19/43/1066751943.db2.gz OUSLZLJOLAHNEP-HXUWFJFHSA-N 1 1 452.672 4.782 20 0 JJADMO Cc1csc(CN(C)c2nnc(CNC(=O)c3cccs3)n2CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001492648364 1066753916 /nfs/dbraw/zinc/75/39/16/1066753916.db2.gz RVYAMEMKQXQMQN-LJQANCHMSA-N 1 1 486.711 4.540 20 0 JJADMO Cc1csc(CN(C)c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001492648371 1066754044 /nfs/dbraw/zinc/75/40/44/1066754044.db2.gz SFMRMLCKYHBGGT-HXUWFJFHSA-N 1 1 453.656 4.638 20 0 JJADMO CCCc1c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nnn1-c1cccc(C(C)C)c1 ZINC001457095146 1066760882 /nfs/dbraw/zinc/76/08/82/1066760882.db2.gz LJZYMVINWCKXGW-OFVILXPXSA-N 1 1 459.638 4.984 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC001457103175 1066762956 /nfs/dbraw/zinc/76/29/56/1066762956.db2.gz RSFMGWHJSWVZCR-OXQOHEQNSA-N 1 1 454.368 4.745 20 0 JJADMO Cc1nc(C)c(CCn2c(N(C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)s1 ZINC001492656965 1066769997 /nfs/dbraw/zinc/76/99/97/1066769997.db2.gz KFRDTNZFPCFMIF-OAQYLSRUSA-N 1 1 452.672 4.602 20 0 JJADMO CC(C)(CO)[NH+]1CCN(C(=O)[C@@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)CC1 ZINC001447055324 1066770143 /nfs/dbraw/zinc/77/01/43/1066770143.db2.gz BLHNEPBKJNFKKD-FQEVSTJZSA-N 1 1 453.435 4.742 20 0 JJADMO O=C(NCCOc1c(Cl)cc(Br)cc1Cl)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001447112594 1066775726 /nfs/dbraw/zinc/77/57/26/1066775726.db2.gz XOKYHVNQRLKEMU-MRXNPFEDSA-N 1 1 450.204 4.658 20 0 JJADMO O=C(Nc1ccc(F)c(Br)c1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001457161376 1066776225 /nfs/dbraw/zinc/77/62/25/1066776225.db2.gz HNWRFGUBMDYVAB-IAGOWNOFSA-N 1 1 460.372 4.899 20 0 JJADMO Cc1nc(Cc2nnc(N(C)[C@H](C)c3cccc(O)c3)n2CCCCn2cc[nH+]c2C)cs1 ZINC001492661046 1066779044 /nfs/dbraw/zinc/77/90/44/1066779044.db2.gz CBVAZMHENQRUBW-QGZVFWFLSA-N 1 1 465.627 4.522 20 0 JJADMO Cc1nc(Cc2nnc(N(C)[C@@H](C)c3cc4ccccc4o3)n2CC[N@H+](C)C(C)C)cs1 ZINC001492662818 1066782839 /nfs/dbraw/zinc/78/28/39/1066782839.db2.gz XVCHVCRZNJPMLJ-KRWDZBQOSA-N 1 1 452.628 4.918 20 0 JJADMO Cc1nc(Cc2nnc(N(C)Cc3ccc(Br)o3)n2CC[N@@H+](C)C2CCCC2)cs1 ZINC001492666241 1066790512 /nfs/dbraw/zinc/79/05/12/1066790512.db2.gz MEJPMTHPWSRFJM-UHFFFAOYSA-N 1 1 493.475 4.500 20 0 JJADMO C[N@H+]1CCCC[C@H]1C(=O)N(Cc1ccccc1)C[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC001447316163 1066791097 /nfs/dbraw/zinc/79/10/97/1066791097.db2.gz QGAFUMUZDKNJGR-NSOVKSMOSA-N 1 1 458.602 4.812 20 0 JJADMO Cc1nc(Cc2nnc(N(C)Cc3ccsc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001492666813 1066792499 /nfs/dbraw/zinc/79/24/99/1066792499.db2.gz IYLJQCYPJXXTEU-HDICACEKSA-N 1 1 458.701 4.700 20 0 JJADMO Cc1nc(Cc2nnc(N(C)C[C@H]3CCCO[C@@H]3c3ccccc3)n2CC[N@H+](C)C(C)C)cs1 ZINC001492667891 1066794881 /nfs/dbraw/zinc/79/48/81/1066794881.db2.gz RWKNBRWZTRCYLX-RCZVLFRGSA-N 1 1 482.698 4.578 20 0 JJADMO CC(C)c1ncc(OCc2ccccc2)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC001457231280 1066795540 /nfs/dbraw/zinc/79/55/40/1066795540.db2.gz STFCERQGXVIEQJ-QPPBQGQZSA-N 1 1 458.606 4.962 20 0 JJADMO C[C@@H]1C[C@@H](NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001457237558 1066796649 /nfs/dbraw/zinc/79/66/49/1066796649.db2.gz JDKAPOBMRYAYCB-DMDCLOPFSA-N 1 1 453.671 4.801 20 0 JJADMO CCN(C(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001447361488 1066798513 /nfs/dbraw/zinc/79/85/13/1066798513.db2.gz RWGIWICHTRAQCZ-XTEPFMGCSA-N 1 1 458.602 4.812 20 0 JJADMO CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NC(=O)OC(C)(C)C ZINC001545995679 1066807912 /nfs/dbraw/zinc/80/79/12/1066807912.db2.gz WSSIQOZMFVKECN-VWPQPMDRSA-N 1 1 488.721 4.623 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CC(C)(C)C(F)(F)F)cs1 ZINC001492675015 1066810264 /nfs/dbraw/zinc/81/02/64/1066810264.db2.gz LROWMOHRJKVEGC-UHFFFAOYSA-N 1 1 472.625 4.779 20 0 JJADMO CC[C@]1(C)CN(c2nnc(-c3ccccc3Br)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001546089520 1066812440 /nfs/dbraw/zinc/81/24/40/1066812440.db2.gz QSCKACYTBSQDPK-KHCICDEESA-N 1 1 490.490 4.833 20 0 JJADMO CC(C)N1CC[NH+](CCCC(=O)N[C@@H](CC(F)(F)F)c2cccc(C(F)(F)F)c2)CC1 ZINC001447490872 1066815442 /nfs/dbraw/zinc/81/54/42/1066815442.db2.gz WKFLQPOUQPMVEY-SFHVURJKSA-N 1 1 453.471 4.621 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cs1 ZINC001492677047 1066815391 /nfs/dbraw/zinc/81/53/91/1066815391.db2.gz URUSCSXTCACOLS-WMZOPIPTSA-N 1 1 470.609 4.533 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)cs1 ZINC001492679270 1066821329 /nfs/dbraw/zinc/82/13/29/1066821329.db2.gz YGVFAGOALBEGSI-RDPSFJRHSA-N 1 1 496.725 4.938 20 0 JJADMO CC[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)OC ZINC001545997239 1066821492 /nfs/dbraw/zinc/82/14/92/1066821492.db2.gz LSDZOZBUMBVXBV-BWKNWUBXSA-N 1 1 471.665 4.914 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[C@H](c4nc(C)c(C)s4)C3)n2CCC[N@H+](C)C(C)C)cs1 ZINC001492679354 1066822048 /nfs/dbraw/zinc/82/20/48/1066822048.db2.gz ZVYPIVWZAQWNGF-FQEVSTJZSA-N 1 1 487.743 4.821 20 0 JJADMO CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)C1 ZINC001447567598 1066823296 /nfs/dbraw/zinc/82/32/96/1066823296.db2.gz JVVWBTIOIVOEFQ-UHFFFAOYSA-N 1 1 459.377 4.560 20 0 JJADMO Cc1nc(Cc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)cs1 ZINC001492682327 1066824723 /nfs/dbraw/zinc/82/47/23/1066824723.db2.gz VEOSBILXRLXSBY-RDPSFJRHSA-N 1 1 496.725 4.796 20 0 JJADMO CC[C@@H](Cn1c(CC(C)C)nnc1N1CCO[C@](C)(C(C)(C)C)C1)[N@H+]1CCc2ccccc2C1 ZINC001545997987 1066826014 /nfs/dbraw/zinc/82/60/14/1066826014.db2.gz ZSYFBBNMMRBMNT-CUBQBAPOSA-N 1 1 467.702 4.955 20 0 JJADMO COc1ccc(-c2csc(CNC(=O)c3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)c2)cc1 ZINC001457426455 1066829632 /nfs/dbraw/zinc/82/96/32/1066829632.db2.gz PCNDWCZREGLALJ-KDURUIRLSA-N 1 1 450.604 4.963 20 0 JJADMO COc1ccc(-c2csc(CNC(=O)c3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)c2)cc1 ZINC001457426455 1066829645 /nfs/dbraw/zinc/82/96/45/1066829645.db2.gz PCNDWCZREGLALJ-KDURUIRLSA-N 1 1 450.604 4.963 20 0 JJADMO Cc1nc(C[C@@H]2CCCN(c3nnc(CC(C)C)n3C[C@@H](c3ccccc3Cl)[NH+](C)C)C2)no1 ZINC001492685160 1066829861 /nfs/dbraw/zinc/82/98/61/1066829861.db2.gz QJMCYUCTZFOOSF-UGKGYDQZSA-N 1 1 486.064 4.583 20 0 JJADMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc2scc(Br)c2c1 ZINC001447623262 1066830483 /nfs/dbraw/zinc/83/04/83/1066830483.db2.gz YPTVXUCLVGIKLJ-SFHVURJKSA-N 1 1 459.409 4.551 20 0 JJADMO Cc1nc(CCn2c(COc3ccc(F)cc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)cs1 ZINC001492692178 1066837572 /nfs/dbraw/zinc/83/75/72/1066837572.db2.gz VEZMIBPTTJKWPE-UHFFFAOYSA-N 1 1 486.661 4.560 20 0 JJADMO C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)c3ccc(CSc4ccccc4)cc3)c2)CC1 ZINC001457490875 1066842341 /nfs/dbraw/zinc/84/23/41/1066842341.db2.gz QWKGLCKNCADFRM-UHFFFAOYSA-N 1 1 459.615 4.548 20 0 JJADMO Cc1ncc(CN(C)c2nnc(-c3ccc(Br)cc3)n2CC[N@@H+]2CCC[C@H](C)C2)s1 ZINC001492695856 1066844238 /nfs/dbraw/zinc/84/42/38/1066844238.db2.gz OLZCHWMRMPXGAJ-INIZCTEOSA-N 1 1 489.487 4.841 20 0 JJADMO Cc1ncc(CN(C)c2nnc(-c3cn(C)c4ccccc34)n2CCC[N@H+](C)C(C)C)s1 ZINC001492697301 1066849026 /nfs/dbraw/zinc/84/90/26/1066849026.db2.gz OKGLSKBSCBHEQI-UHFFFAOYSA-N 1 1 451.644 4.568 20 0 JJADMO Cc1ncc(CN(C)c2nnc(Cc3ccccc3C)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)s1 ZINC001492697620 1066849786 /nfs/dbraw/zinc/84/97/86/1066849786.db2.gz ANICCLWSQMAPMZ-UYAOXDASSA-N 1 1 452.672 4.699 20 0 JJADMO Cc1ncc(CN(C)c2nnc(Cc3ccsc3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)s1 ZINC001492698557 1066851538 /nfs/dbraw/zinc/85/15/38/1066851538.db2.gz BTSSKIMBUOOBRA-GOSISDBHSA-N 1 1 466.680 4.852 20 0 JJADMO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001457531501 1066853689 /nfs/dbraw/zinc/85/36/89/1066853689.db2.gz ATXMMOSPAJKQRI-XMMPIXPASA-N 1 1 451.014 4.808 20 0 JJADMO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001457531487 1066853813 /nfs/dbraw/zinc/85/38/13/1066853813.db2.gz ATXMMOSPAJKQRI-DEOSSOPVSA-N 1 1 451.014 4.808 20 0 JJADMO Cc1c(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001457537648 1066854494 /nfs/dbraw/zinc/85/44/94/1066854494.db2.gz NLXCQDAYMGYQFI-QFIPXVFZSA-N 1 1 456.512 4.936 20 0 JJADMO CC[C@@H](NC(=O)[C@@H](CC)c1ccc(Br)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001457539272 1066855872 /nfs/dbraw/zinc/85/58/72/1066855872.db2.gz JVQLAUBPMDQEHZ-ZRBLBEILSA-N 1 1 459.428 4.739 20 0 JJADMO CC[C@@H](NC(=O)[C@@H](CC)c1ccc(Br)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001457539272 1066855877 /nfs/dbraw/zinc/85/58/77/1066855877.db2.gz JVQLAUBPMDQEHZ-ZRBLBEILSA-N 1 1 459.428 4.739 20 0 JJADMO Cc1ccc(/C=C\c2cc(C(=O)NC[C@@H]3CC[N@H+](C)C3)c3cc(Br)ccc3n2)o1 ZINC001457559601 1066861420 /nfs/dbraw/zinc/86/14/20/1066861420.db2.gz RRLQCSGATUPPGB-WRLNGNIRSA-N 1 1 454.368 4.751 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c(CC(C)(C)C)nnc2N2CC(C)(C)OC[C@@H]2C)cc1F ZINC001492704178 1066862550 /nfs/dbraw/zinc/86/25/50/1066862550.db2.gz SYZLWPIUHKITQA-KRWDZBQOSA-N 1 1 454.594 4.552 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)CCC(F)F)cn1 ZINC001492703781 1066862561 /nfs/dbraw/zinc/86/25/61/1066862561.db2.gz GANNSSFWPYCWGP-MRXNPFEDSA-N 1 1 485.514 4.586 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(C2CCCC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001492704818 1066863857 /nfs/dbraw/zinc/86/38/57/1066863857.db2.gz NUXJRRXCIZVBMX-SIKLNZKXSA-N 1 1 485.677 4.661 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(Br)s1 ZINC001492704557 1066863987 /nfs/dbraw/zinc/86/39/87/1066863987.db2.gz HERGUVZIJDFROM-KRWDZBQOSA-N 1 1 493.475 4.618 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001492704880 1066864858 /nfs/dbraw/zinc/86/48/58/1066864858.db2.gz PICUUPCKNGICRA-HXUWFJFHSA-N 1 1 454.594 4.853 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001492705449 1066864951 /nfs/dbraw/zinc/86/49/51/1066864951.db2.gz GHXCVGZCENLEJO-AUSIDOKSSA-N 1 1 484.620 4.794 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2cccc(Br)c2)nnc1N1CCSC[C@@H]1C ZINC001492705509 1066865499 /nfs/dbraw/zinc/86/54/99/1066865499.db2.gz IDFJHJXOUJICIK-INIZCTEOSA-N 1 1 475.460 4.635 20 0 JJADMO CC(C)C[C@@H](CC(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)NC(=O)OC(C)(C)C ZINC001447825487 1066866376 /nfs/dbraw/zinc/86/63/76/1066866376.db2.gz WZVGZAUKKGYQJO-KRWDZBQOSA-N 1 1 456.425 4.779 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(F)(F)C1 ZINC001492705895 1066866900 /nfs/dbraw/zinc/86/69/00/1066866900.db2.gz VRGDPTVUJNUYCU-UHFFFAOYSA-N 1 1 483.336 4.677 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCSC(C)(C)C1 ZINC001492706017 1066866944 /nfs/dbraw/zinc/86/69/44/1066866944.db2.gz ZNDYXJVCKINKLE-GOSISDBHSA-N 1 1 472.634 4.874 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CC1CC1 ZINC001492705963 1066866957 /nfs/dbraw/zinc/86/69/57/1066866957.db2.gz YBFIXMUOLHMLPU-UHFFFAOYSA-N 1 1 461.383 4.678 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCSC(C)(C)C1 ZINC001492706411 1066868412 /nfs/dbraw/zinc/86/84/12/1066868412.db2.gz MIOHGKXDTVJGAB-UHFFFAOYSA-N 1 1 475.062 4.828 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(CCc2ccccc2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001492706359 1066868459 /nfs/dbraw/zinc/86/84/59/1066868459.db2.gz KNLPZPAUGRBHKY-UHFFFAOYSA-N 1 1 464.658 4.833 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(N(Cc2cccs2)C[C@@H]2CCCO2)nnc1C(C)(C)C ZINC001492706392 1066868520 /nfs/dbraw/zinc/86/85/20/1066868520.db2.gz LUUUKMKMVZAGKX-FQEVSTJZSA-N 1 1 456.660 4.808 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)nnc1C(C)(C)C ZINC001492706658 1066868893 /nfs/dbraw/zinc/86/88/93/1066868893.db2.gz VSPXVPCSGLSEKL-OAQYLSRUSA-N 1 1 475.012 4.931 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cnc(C(C)C)nc1 ZINC001492706701 1066868999 /nfs/dbraw/zinc/86/89/99/1066868999.db2.gz XAZXCOUQTHANTK-DHIUTWEWSA-N 1 1 494.688 4.732 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(Cl)cc2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001492707268 1066870691 /nfs/dbraw/zinc/87/06/91/1066870691.db2.gz PZCAFEMSXVZNPA-UHFFFAOYSA-N 1 1 450.896 4.893 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cccs1 ZINC001492707807 1066871408 /nfs/dbraw/zinc/87/14/08/1066871408.db2.gz IEDFYXNRZQDGPY-HXUWFJFHSA-N 1 1 499.685 4.686 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2ccccc2Br)nnc1N1CCC(C)(C)CC1 ZINC001492707688 1066871495 /nfs/dbraw/zinc/87/14/95/1066871495.db2.gz FLUDPUPEHLAZCL-UHFFFAOYSA-N 1 1 457.420 4.929 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001492707748 1066871730 /nfs/dbraw/zinc/87/17/30/1066871730.db2.gz GQCPHPBSEDNNIH-PMACEKPBSA-N 1 1 485.677 4.613 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001492708295 1066872367 /nfs/dbraw/zinc/87/23/67/1066872367.db2.gz WANXCHVUKRVBND-RZUBCFFCSA-N 1 1 485.677 4.613 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C)C1 ZINC001492708820 1066873034 /nfs/dbraw/zinc/87/30/34/1066873034.db2.gz MSOYJGLJCYDANC-FQEVSTJZSA-N 1 1 450.631 4.986 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 ZINC001492708837 1066873101 /nfs/dbraw/zinc/87/31/01/1066873101.db2.gz NINCTIUBHMQEIU-OAQYLSRUSA-N 1 1 457.022 4.693 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001492709477 1066873642 /nfs/dbraw/zinc/87/36/42/1066873642.db2.gz KHCCXJKPCCRLCL-YPAWHYETSA-N 1 1 472.678 4.576 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)c1ccccc1 ZINC001492709640 1066874640 /nfs/dbraw/zinc/87/46/40/1066874640.db2.gz OYVFPMLYXRHVHF-WWPVKYPJSA-N 1 1 450.631 4.989 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)c1ccc(F)cc1 ZINC001492710350 1066875116 /nfs/dbraw/zinc/87/51/16/1066875116.db2.gz MAKZGZBUISIXCI-OAHLLOKOSA-N 1 1 486.393 4.588 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2cccc(Cl)c2)nnc1N(CCC(F)(F)F)CC1CC1 ZINC001492710325 1066875274 /nfs/dbraw/zinc/87/52/74/1066875274.db2.gz LISDSFYLSDCYBR-UHFFFAOYSA-N 1 1 452.912 4.972 20 0 JJADMO Cc1[nH+]ccn1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H]1CCC[C@H](C)C1 ZINC001492711380 1066877146 /nfs/dbraw/zinc/87/71/46/1066877146.db2.gz SGVXYFOZUKFHCY-UGKGYDQZSA-N 1 1 485.677 4.613 20 0 JJADMO Cc1[nH+]ccn1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)c1ccccc1F ZINC001492712990 1066878404 /nfs/dbraw/zinc/87/84/04/1066878404.db2.gz TUJNJALFIVLGSD-YSIASYRMSA-N 1 1 497.619 4.590 20 0 JJADMO CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N(C)CC(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC001546002058 1066889448 /nfs/dbraw/zinc/88/94/48/1066889448.db2.gz YVBGOPZYKPAWSD-HSZRJFAPSA-N 1 1 466.699 4.953 20 0 JJADMO Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001457662411 1066892681 /nfs/dbraw/zinc/89/26/81/1066892681.db2.gz VYMOEQVDWPJXLX-BLLLJJGKSA-N 1 1 459.413 4.826 20 0 JJADMO C[NH+](C)[C@H](CNC(=O)c1ccc(C(=O)c2cccc(O)c2)cc1)c1cccc(C(F)(F)F)c1 ZINC001448067236 1066895776 /nfs/dbraw/zinc/89/57/76/1066895776.db2.gz OUPDKEJWBURGPI-JOCHJYFZSA-N 1 1 456.464 4.675 20 0 JJADMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001448128283 1066902985 /nfs/dbraw/zinc/90/29/85/1066902985.db2.gz XHVNUZOKQWBZIU-NHTMILBNSA-N 1 1 459.675 4.933 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC001492733783 1066907389 /nfs/dbraw/zinc/90/73/89/1066907389.db2.gz SLJORXCGVQHZQG-TXTKFYIRSA-N 1 1 455.695 4.665 20 0 JJADMO CC[C@@H](Cc1ccccc1Br)C(=O)Nc1ccc(Cl)c(C[N@H+](C)CCO)c1 ZINC001448229342 1066911332 /nfs/dbraw/zinc/91/13/32/1066911332.db2.gz QMTWXNYFWIKLBL-HNNXBMFYSA-N 1 1 453.808 4.734 20 0 JJADMO CC[C@@H](Cc1ccccc1Br)C(=O)Nc1ccc(Cl)c(C[N@@H+](C)CCO)c1 ZINC001448229342 1066911340 /nfs/dbraw/zinc/91/13/40/1066911340.db2.gz QMTWXNYFWIKLBL-HNNXBMFYSA-N 1 1 453.808 4.734 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3cccs3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC001492736503 1066911681 /nfs/dbraw/zinc/91/16/81/1066911681.db2.gz IBWOITKPDRQZGN-JOCHJYFZSA-N 1 1 484.073 4.794 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCC(C(C)C)CC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492744317 1066919776 /nfs/dbraw/zinc/91/97/76/1066919776.db2.gz MCQQILFYJXDMRH-OYRHEFFESA-N 1 1 469.722 4.769 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001448408488 1066924543 /nfs/dbraw/zinc/92/45/43/1066924543.db2.gz WHUHBZWBLBXVNB-WXFUMESZSA-N 1 1 457.659 4.688 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC001492751235 1066925833 /nfs/dbraw/zinc/92/58/33/1066925833.db2.gz VGIRZPRJUWNFNF-VQTJNVASSA-N 1 1 481.611 4.744 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492754167 1066926758 /nfs/dbraw/zinc/92/67/58/1066926758.db2.gz RYZGHHLDTPLEFB-RZIGYZOXSA-N 1 1 499.748 4.539 20 0 JJADMO Cc1nc(C)n(C[C@H]2CCCN(c3nnc(C(C)(C)C)n3C[C@@H](c3ccccc3Cl)[NH+](C)C)C2)n1 ZINC001492757499 1066929019 /nfs/dbraw/zinc/92/90/19/1066929019.db2.gz ZHIGXARUSCTYDF-REWPJTCUSA-N 1 1 499.107 4.657 20 0 JJADMO Cc1cc(C)n(CC2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3[N@@H+](C)CCCC3(C)C)CC2)n1 ZINC001492759110 1066930469 /nfs/dbraw/zinc/93/04/69/1066930469.db2.gz WNCLKNYTCNBPSO-HSZRJFAPSA-N 1 1 469.722 4.717 20 0 JJADMO CC1(C)CCC[N@@H+](CCNC(=O)c2ccccc2NC(=O)c2ccccc2Br)C1 ZINC001448511551 1066935006 /nfs/dbraw/zinc/93/50/06/1066935006.db2.gz WOJQJCKDUSPNAI-UHFFFAOYSA-N 1 1 458.400 4.553 20 0 JJADMO CC1(C)CCC[N@@H+](CCNC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)C1 ZINC001448512250 1066935100 /nfs/dbraw/zinc/93/51/00/1066935100.db2.gz ZMAUHABCYMLFHW-UHFFFAOYSA-N 1 1 458.400 4.553 20 0 JJADMO Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc(NC2=[NH+]CCN2)c(Cl)c1 ZINC001457938154 1066944292 /nfs/dbraw/zinc/94/42/92/1066944292.db2.gz XBXKNDZSLGFGLO-UHFFFAOYSA-N 1 1 455.971 4.861 20 0 JJADMO Cc1nnc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001492804456 1066953570 /nfs/dbraw/zinc/95/35/70/1066953570.db2.gz YUMRSPGNYHRLDK-RUZDIDTESA-N 1 1 496.700 4.582 20 0 JJADMO C[C@@H]1CN(C(=O)COc2ccc(Cl)cc2Br)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001457991551 1066953641 /nfs/dbraw/zinc/95/36/41/1066953641.db2.gz HDMRYBIUCWJRGB-CVEARBPZSA-N 1 1 451.792 4.603 20 0 JJADMO Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001492804596 1066953855 /nfs/dbraw/zinc/95/38/55/1066953855.db2.gz LHHOSXIDCKOFAH-OAQYLSRUSA-N 1 1 486.705 4.635 20 0 JJADMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1[C@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C ZINC001448732848 1066954822 /nfs/dbraw/zinc/95/48/22/1066954822.db2.gz HOIPDLXQAICPBZ-RRPUWOKSSA-N 1 1 452.599 4.613 20 0 JJADMO Cc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001492851849 1066958875 /nfs/dbraw/zinc/95/88/75/1066958875.db2.gz LIOYWPSXIXHZKM-QFBILLFUSA-N 1 1 481.954 4.600 20 0 JJADMO Cc1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1Cc1cccc(NC(=O)CC(C)C)c1 ZINC001492897720 1066959818 /nfs/dbraw/zinc/95/98/18/1066959818.db2.gz FKGCUPCRGYBPKJ-IBGZPJMESA-N 1 1 466.655 4.564 20 0 JJADMO C[C@@H]1C[C@@H](CCNC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC001458055978 1066962945 /nfs/dbraw/zinc/96/29/45/1066962945.db2.gz DGHWVWCWTZMFIF-UYAOXDASSA-N 1 1 456.512 4.922 20 0 JJADMO C[C@H]1C[C@H](CCNC(=O)c2cnnn2-c2c(Cl)cccc2Cl)C[N@H+]1Cc1ccccc1 ZINC001458057820 1066963662 /nfs/dbraw/zinc/96/36/62/1066963662.db2.gz IEDRPVYBBFCUBC-WMZOPIPTSA-N 1 1 458.393 4.605 20 0 JJADMO COc1cccc(C(=O)c2ccc(C(=O)NCC[C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)cc2)c1 ZINC001458061991 1066964882 /nfs/dbraw/zinc/96/48/82/1066964882.db2.gz XCPZUGQGPBOQSF-FYYLOGMGSA-N 1 1 456.586 4.957 20 0 JJADMO O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)c1c[nH]cc1-c1ccc(F)cc1 ZINC001545702396 1066965066 /nfs/dbraw/zinc/96/50/66/1066965066.db2.gz BFATUQXXIYJMMC-UHFFFAOYSA-N 1 1 456.359 4.978 20 0 JJADMO CCOc1ccc(SCC(=O)Nc2c(C)cnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001458092233 1066972351 /nfs/dbraw/zinc/97/23/51/1066972351.db2.gz GRBPNBSZSUHUJT-NRFANRHFSA-N 1 1 450.608 4.768 20 0 JJADMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)COc1ccccc1C(F)(F)F ZINC001458093047 1066972664 /nfs/dbraw/zinc/97/26/64/1066972664.db2.gz INVRFIMIFMIPHU-IBGZPJMESA-N 1 1 458.484 4.675 20 0 JJADMO CC[C@H](c1nnc(N(C)Cc2cc(Cl)ccn2)n1C[C@@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC001545721440 1066975659 /nfs/dbraw/zinc/97/56/59/1066975659.db2.gz ACCSVRIYPSDFFS-XXBNENTESA-N 1 1 453.034 4.847 20 0 JJADMO CCCN(C(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC001458112785 1066979357 /nfs/dbraw/zinc/97/93/57/1066979357.db2.gz ULAPMFHIRGVZFY-SFTDATJTSA-N 1 1 451.611 4.809 20 0 JJADMO COc1ccc(C(=O)Nc2cc(C)nn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC(F)F)c1 ZINC001458122376 1066981911 /nfs/dbraw/zinc/98/19/11/1066981911.db2.gz BKVIPHDPVGHHNH-SFHVURJKSA-N 1 1 456.493 4.501 20 0 JJADMO CC[C@H](c1nnc(N(CC)C[C@H]2CCCO2)n1CC[N@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001545728071 1066985186 /nfs/dbraw/zinc/98/51/86/1066985186.db2.gz FJJGPPDCRQACIJ-RPWUZVMVSA-N 1 1 453.675 4.947 20 0 JJADMO CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001449175408 1066987572 /nfs/dbraw/zinc/98/75/72/1066987572.db2.gz OUPMJWLGPNZMKB-GOTSBHOMSA-N 1 1 455.643 4.585 20 0 JJADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)Cc3ccc(Br)c(Cl)c3)C2)s1 ZINC001449180467 1066987816 /nfs/dbraw/zinc/98/78/16/1066987816.db2.gz ZRZKPEQPBUWKQE-INIZCTEOSA-N 1 1 455.849 4.995 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CC(C)(C)C(F)(F)F)c1ccccc1 ZINC001545731065 1066989741 /nfs/dbraw/zinc/98/97/41/1066989741.db2.gz JLHZLZSEZNBFCX-CEWLAPEOSA-N 1 1 479.591 4.565 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1C[C@]1(O)CCCC1(C)C)c1ccccc1 ZINC001545731387 1066991226 /nfs/dbraw/zinc/99/12/26/1066991226.db2.gz NRRNIGFVHBRNTM-VDEOUVHESA-N 1 1 453.675 4.680 20 0 JJADMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1csc(-c2ccc(C)o2)n1 ZINC001458158322 1066992163 /nfs/dbraw/zinc/99/21/63/1066992163.db2.gz ZZGWEWSGRHZJNE-VGOFRKELSA-N 1 1 452.624 4.717 20 0 JJADMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1csc(-c2ccc(C)o2)n1 ZINC001458158322 1066992173 /nfs/dbraw/zinc/99/21/73/1066992173.db2.gz ZZGWEWSGRHZJNE-VGOFRKELSA-N 1 1 452.624 4.717 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1Cc1csc([C@@H](C)OC)n1)c1ccccc1 ZINC001545731948 1066992496 /nfs/dbraw/zinc/99/24/96/1066992496.db2.gz VOQOHMGISFNWMM-DZCCDHAISA-N 1 1 482.698 4.951 20 0 JJADMO Cc1sc2nc(-c3ccc(OC(F)F)cc3)nc(NCc3c[nH+]c(N(C)C)n3C)c2c1C ZINC001458161062 1066993093 /nfs/dbraw/zinc/99/30/93/1066993093.db2.gz BXNYIXCMVWFSMQ-UHFFFAOYSA-N 1 1 458.538 4.988 20 0 JJADMO CC[C@H](c1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1CC[N@@H+](C)C(C)C)c1ccccc1 ZINC001545734403 1066997129 /nfs/dbraw/zinc/99/71/29/1066997129.db2.gz RWXXEWDQWYWZSZ-SANMLTNESA-N 1 1 494.728 4.826 20 0 JJADMO C[NH+](C)[C@H](C(=O)NC[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001449310696 1066997921 /nfs/dbraw/zinc/99/79/21/1066997921.db2.gz MTVDBSONOPAEKC-YADHBBJMSA-N 1 1 458.002 4.593 20 0 JJADMO CC[C@H](c1nnc(N2CCC(C)(COC)CC2)n1CC[N@@H+](C)C1CCCC1)c1ccccc1 ZINC001545736848 1067000923 /nfs/dbraw/zinc/00/09/23/1067000923.db2.gz WCTCLCNQCXSBHX-DEOSSOPVSA-N 1 1 453.675 4.947 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CCn1cc(C)cn1)c1ccccc1 ZINC001545738451 1067002889 /nfs/dbraw/zinc/00/28/89/1067002889.db2.gz IIKDCYSPPLHEOR-RUZDIDTESA-N 1 1 463.674 4.582 20 0 JJADMO CC[C@H](c1nnc(N2CCC(CNC(C)=O)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1)c1ccccc1 ZINC001545739403 1067005144 /nfs/dbraw/zinc/00/51/44/1067005144.db2.gz ZMHFIRKGXLKRHC-VPUSJEBWSA-N 1 1 494.728 4.541 20 0 JJADMO CC[C@H](c1nnc(N2CCC(N3CCCCC3=O)CC2)n1CC[N@@H+](CC)C(C)C)c1ccccc1 ZINC001545740696 1067005799 /nfs/dbraw/zinc/00/57/99/1067005799.db2.gz BZFPKUZSMVDBMW-VWLOTQADSA-N 1 1 480.701 4.532 20 0 JJADMO CC(=O)Nc1cc(F)ccc1C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC001449402960 1067006613 /nfs/dbraw/zinc/00/66/13/1067006613.db2.gz JARVKLGDAUBIJA-LJQANCHMSA-N 1 1 459.871 4.793 20 0 JJADMO CC(=O)Nc1cc(F)ccc1C(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC001449402960 1067006624 /nfs/dbraw/zinc/00/66/24/1067006624.db2.gz JARVKLGDAUBIJA-LJQANCHMSA-N 1 1 459.871 4.793 20 0 JJADMO C[N@H+](CCC(F)(F)F)[C@H](CNC(=O)CCc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 ZINC001449404208 1067006972 /nfs/dbraw/zinc/00/69/72/1067006972.db2.gz LIOFNDFNTBFHNW-LJQANCHMSA-N 1 1 452.908 4.891 20 0 JJADMO C[N@@H+](CCC(F)(F)F)[C@H](CNC(=O)CCc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 ZINC001449404208 1067006982 /nfs/dbraw/zinc/00/69/82/1067006982.db2.gz LIOFNDFNTBFHNW-LJQANCHMSA-N 1 1 452.908 4.891 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ncnc2ccc(I)cc21 ZINC001458229728 1067008118 /nfs/dbraw/zinc/00/81/18/1067008118.db2.gz PYBPZDGGKYXANP-DNVCBOLYSA-N 1 1 458.347 4.557 20 0 JJADMO CC[C@@H](c1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)C(C)C)c1ccccc1 ZINC001545741835 1067008539 /nfs/dbraw/zinc/00/85/39/1067008539.db2.gz XNVUTCTYBBTUEQ-DHIUTWEWSA-N 1 1 484.689 4.606 20 0 JJADMO CC[C@@H](c1nnc(N2CC[C@]3(CCOC3)C2)n1CC[N@@H+](CC)CCC(F)(F)F)c1ccccc1 ZINC001545743054 1067009397 /nfs/dbraw/zinc/00/93/97/1067009397.db2.gz CTZQGHWSKRPXLY-QPPBQGQZSA-N 1 1 479.591 4.711 20 0 JJADMO CC[C@H](c1nnc(N2CCC(OC(C)(C)C)CC2)n1CCC[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001545743375 1067009426 /nfs/dbraw/zinc/00/94/26/1067009426.db2.gz IVHYBVXQBOSOHJ-SANMLTNESA-N 1 1 496.744 4.632 20 0 JJADMO COc1ccc(CCCCC(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1OC ZINC001458242608 1067010414 /nfs/dbraw/zinc/01/04/14/1067010414.db2.gz GMHVHJXCWRVQBH-UBFVSLLYSA-N 1 1 450.623 4.834 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001545745659 1067012334 /nfs/dbraw/zinc/01/23/34/1067012334.db2.gz DUYJHVWHJQZXHI-KYPHJKQUSA-N 1 1 494.728 4.826 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@](C)(OC)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545745912 1067013538 /nfs/dbraw/zinc/01/35/38/1067013538.db2.gz ICTHKXLLYGLKKR-SKVJQKLOSA-N 1 1 483.701 4.572 20 0 JJADMO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@@H]1CCN(c2ccccc2F)C1 ZINC001458263199 1067015670 /nfs/dbraw/zinc/01/56/70/1067015670.db2.gz YRFSOLVTHQFKKI-QGZVFWFLSA-N 1 1 450.385 4.740 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@@H](C)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545746909 1067016219 /nfs/dbraw/zinc/01/62/19/1067016219.db2.gz XAERNCJXOSUNPX-AGDMDRQQSA-N 1 1 453.675 4.946 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@H]2C(C)C)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545748739 1067018230 /nfs/dbraw/zinc/01/82/30/1067018230.db2.gz FEFHPVDPIVOWMR-GVAUOCQISA-N 1 1 453.675 4.802 20 0 JJADMO CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001458274815 1067019028 /nfs/dbraw/zinc/01/90/28/1067019028.db2.gz HIWXLHXPHTYXGX-RXFVGMGFSA-N 1 1 452.595 4.995 20 0 JJADMO C[C@@H]1CN(C(=O)c2cccc(CSc3cc(Cl)cc(Cl)c3)c2)C[C@H](C)[N@H+]1CCO ZINC001449688137 1067020334 /nfs/dbraw/zinc/02/03/34/1067020334.db2.gz UZJGOQFSVFIGJX-IYBDPMFKSA-N 1 1 453.435 4.813 20 0 JJADMO C[C@@H]1CN(C(=O)c2cccc(CSc3cc(Cl)cc(Cl)c3)c2)C[C@H](C)[N@@H+]1CCO ZINC001449688137 1067020348 /nfs/dbraw/zinc/02/03/48/1067020348.db2.gz UZJGOQFSVFIGJX-IYBDPMFKSA-N 1 1 453.435 4.813 20 0 JJADMO O=S(=O)(c1cc(F)ccc1N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(F)(F)F ZINC001458283240 1067020937 /nfs/dbraw/zinc/02/09/37/1067020937.db2.gz JVBINHKRCJLCQO-NZSAHSFTSA-N 1 1 456.505 4.832 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC001449740076 1067024255 /nfs/dbraw/zinc/02/42/55/1067024255.db2.gz GRRPCFMRRUYKAY-SFTDATJTSA-N 1 1 458.647 4.789 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1ncccc1N(C)C)c1ccccc1 ZINC001545751567 1067024404 /nfs/dbraw/zinc/02/44/04/1067024404.db2.gz HVGKAMLUAQHRFA-HSZRJFAPSA-N 1 1 475.685 4.640 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001449742463 1067024877 /nfs/dbraw/zinc/02/48/77/1067024877.db2.gz LBKIEANMFCVKCC-LEWJYISDSA-N 1 1 450.023 4.600 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001449742463 1067024888 /nfs/dbraw/zinc/02/48/88/1067024888.db2.gz LBKIEANMFCVKCC-LEWJYISDSA-N 1 1 450.023 4.600 20 0 JJADMO CC[C@H](c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCc1nccs1)c1ccccc1 ZINC001545751787 1067025566 /nfs/dbraw/zinc/02/55/66/1067025566.db2.gz LFIHNSQZZDSZCC-NRFANRHFSA-N 1 1 452.672 4.830 20 0 JJADMO CC[C@H](c1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1nc(C)c(C)s1)c1ccccc1 ZINC001545752056 1067026766 /nfs/dbraw/zinc/02/67/66/1067026766.db2.gz PZWPXFLLDBHJFX-QFIPXVFZSA-N 1 1 452.672 4.862 20 0 JJADMO C[C@H](CO)n1c2ccc(NC(=O)[C@@H](c3ccc(Cl)cc3)[NH+](C)C)cc2nc1C(F)(F)F ZINC001449788670 1067028354 /nfs/dbraw/zinc/02/83/54/1067028354.db2.gz DNLOQIXRSJEGFP-KZULUSFZSA-N 1 1 454.880 4.503 20 0 JJADMO CC[C@@H](Cn1c(N2CC[NH+](Cc3ccsc3)CC2)nnc1C(C)(C)C)Oc1cccc(F)c1 ZINC001546017350 1067029779 /nfs/dbraw/zinc/02/97/79/1067029779.db2.gz SSFCYSFFZPRPOR-NRFANRHFSA-N 1 1 471.646 4.956 20 0 JJADMO O=C(NCC1(c2ccccc2Br)CCCCC1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC001449868083 1067033296 /nfs/dbraw/zinc/03/32/96/1067033296.db2.gz OCMUZQJKWJOMOL-JOCHJYFZSA-N 1 1 456.428 4.827 20 0 JJADMO O=C(NCC1(c2ccccc2Br)CCCCC1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC001449868083 1067033312 /nfs/dbraw/zinc/03/33/12/1067033312.db2.gz OCMUZQJKWJOMOL-JOCHJYFZSA-N 1 1 456.428 4.827 20 0 JJADMO CC[C@H](c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001545756777 1067034604 /nfs/dbraw/zinc/03/46/04/1067034604.db2.gz OAPWAJQANBRODY-QPPBQGQZSA-N 1 1 494.709 4.679 20 0 JJADMO CC[C@@H](c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1C[C@@H](OC)C(C)C)c1ccccc1 ZINC001545756845 1067034652 /nfs/dbraw/zinc/03/46/52/1067034652.db2.gz PEKZGBQBDCRAFI-FTBPSBKWSA-N 1 1 453.675 4.802 20 0 JJADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC001545757494 1067036236 /nfs/dbraw/zinc/03/62/36/1067036236.db2.gz ZWHIRUVLRJSYPK-ZJSXRUAMSA-N 1 1 496.103 4.925 20 0 JJADMO CC[C@H](c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC001545758178 1067036652 /nfs/dbraw/zinc/03/66/52/1067036652.db2.gz BAJALHKXWMLQRH-GMAHTHKFSA-N 1 1 492.634 4.625 20 0 JJADMO CC[C@@H](c1nnc(N2CC[N@@H+](CCOC)[C@H](CC)C2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545758497 1067038283 /nfs/dbraw/zinc/03/82/83/1067038283.db2.gz IEYYSQXJUABSBW-KBDPUJGOSA-N 1 1 483.701 4.571 20 0 JJADMO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N3C[C@@H](c4ccc(C)cc4)C[C@@H]3C)c2c1C ZINC001458349750 1067039397 /nfs/dbraw/zinc/03/93/97/1067039397.db2.gz UAQWYMSIHONWLA-LPHOPBHVSA-N 1 1 452.624 4.929 20 0 JJADMO CC[C@@H](c1nnc(N2CC[N@@H+](CCOC)[C@@H](CC)C2)n1CC1(C)CCCC1)c1ccccc1 ZINC001545758762 1067039670 /nfs/dbraw/zinc/03/96/70/1067039670.db2.gz MILWMVTXBXSJAP-BJKOFHAPSA-N 1 1 453.675 4.947 20 0 JJADMO CC[C@H](c1nnc(N2CC[N@@H+](CCOC)[C@H](CC)C2)n1CC1(C)CCCC1)c1ccccc1 ZINC001545758764 1067040014 /nfs/dbraw/zinc/04/00/14/1067040014.db2.gz MILWMVTXBXSJAP-RPWUZVMVSA-N 1 1 453.675 4.947 20 0 JJADMO CC[C@@H](c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CC[N@@H+](C)C1CCCC1)c1ccccc1 ZINC001545760913 1067044131 /nfs/dbraw/zinc/04/41/31/1067044131.db2.gz KLBQWNYJQHHHFC-RPWUZVMVSA-N 1 1 453.675 4.946 20 0 JJADMO CC[C@H](c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CC[N@@H+](C)C1CCCC1)c1ccccc1 ZINC001545760911 1067044252 /nfs/dbraw/zinc/04/42/52/1067044252.db2.gz KLBQWNYJQHHHFC-BJKOFHAPSA-N 1 1 453.675 4.946 20 0 JJADMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1cccc(CSc2cc(Cl)ccc2Cl)c1 ZINC001450063643 1067046320 /nfs/dbraw/zinc/04/63/20/1067046320.db2.gz HDATZICISKNTOU-LJQANCHMSA-N 1 1 453.435 4.862 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)C(C)(C)C ZINC001450079368 1067048229 /nfs/dbraw/zinc/04/82/29/1067048229.db2.gz WZWAUQIYVMYGAB-NRFANRHFSA-N 1 1 452.599 4.912 20 0 JJADMO CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001458387936 1067048412 /nfs/dbraw/zinc/04/84/12/1067048412.db2.gz QHYVGRHGCHZZPN-BUKVSMQUSA-N 1 1 454.920 4.987 20 0 JJADMO CC[C@@H](c1nnc(N2CCO[C@@H](COC(C)C)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC001545764321 1067048868 /nfs/dbraw/zinc/04/88/68/1067048868.db2.gz UFFQBBYJCRKQNF-SDHSZQHLSA-N 1 1 483.701 4.571 20 0 JJADMO CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)Cc1c[nH]c2nccc(Cl)c12 ZINC001450113814 1067049625 /nfs/dbraw/zinc/04/96/25/1067049625.db2.gz JMPOEXUHRNUUOP-QFIPXVFZSA-N 1 1 453.030 4.951 20 0 JJADMO CC[C@@H](c1nnc(N2CCSC(CC)(CC)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC001545765404 1067050141 /nfs/dbraw/zinc/05/01/41/1067050141.db2.gz AQROXLUWWNWIAX-XMMPIXPASA-N 1 1 498.785 4.958 20 0 JJADMO CC[C@@H](c1nnc(N2CCSC(CC)(CC)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001545765404 1067050159 /nfs/dbraw/zinc/05/01/59/1067050159.db2.gz AQROXLUWWNWIAX-XMMPIXPASA-N 1 1 498.785 4.958 20 0 JJADMO CC[C@@H](c1nnc(N2CCSC(CC)(CC)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001545765404 1067050177 /nfs/dbraw/zinc/05/01/77/1067050177.db2.gz AQROXLUWWNWIAX-XMMPIXPASA-N 1 1 498.785 4.958 20 0 JJADMO CC[C@@H](c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+](CC)C(C)C)c1ccccc1 ZINC001545765422 1067050427 /nfs/dbraw/zinc/05/04/27/1067050427.db2.gz AYYHOAOWFJKJLK-XZOQPEGZSA-N 1 1 484.689 4.654 20 0 JJADMO CC[C@H](c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+](CC)C(C)C)c1ccccc1 ZINC001545765421 1067050456 /nfs/dbraw/zinc/05/04/56/1067050456.db2.gz AYYHOAOWFJKJLK-GOTSBHOMSA-N 1 1 484.689 4.654 20 0 JJADMO CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001450120290 1067051216 /nfs/dbraw/zinc/05/12/16/1067051216.db2.gz RHBJPDGFILQPCO-RSYZFUPGSA-N 1 1 483.697 4.966 20 0 JJADMO CC[C@H](c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC001545766560 1067051958 /nfs/dbraw/zinc/05/19/58/1067051958.db2.gz VIESRWYIWZGRJT-ZODMCCGTSA-N 1 1 453.675 4.682 20 0 JJADMO CCC(CC)(Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)OC ZINC001545771036 1067057179 /nfs/dbraw/zinc/05/71/79/1067057179.db2.gz DAYUZIDVZRSFCC-WNCULLNHSA-N 1 1 499.700 4.541 20 0 JJADMO COC(=O)Nc1ccc(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c(Cl)c1 ZINC001458445000 1067061704 /nfs/dbraw/zinc/06/17/04/1067061704.db2.gz ASYZFOCOYHVRMM-YJYMSZOUSA-N 1 1 454.329 4.734 20 0 JJADMO COc1ccc(CC(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(Cl)c1OC ZINC001458446461 1067063070 /nfs/dbraw/zinc/06/30/70/1067063070.db2.gz GUWXXHZJPBOOJQ-QVKFZJNVSA-N 1 1 455.357 4.501 20 0 JJADMO C[C@@H](NC(=O)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1cccc(C2CC2)c1 ZINC001450245190 1067064161 /nfs/dbraw/zinc/06/41/61/1067064161.db2.gz HYIJKQMDKKZJEO-NTKDMRAZSA-N 1 1 451.611 4.767 20 0 JJADMO C[N@H+]1CC[C@H](CNC(=O)c2cc(Cl)c3c(c2)OCCCO3)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458449852 1067064432 /nfs/dbraw/zinc/06/44/32/1067064432.db2.gz UCKINDYNAFWLBH-JLTOFOAXSA-N 1 1 453.341 4.717 20 0 JJADMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458449634 1067064598 /nfs/dbraw/zinc/06/45/98/1067064598.db2.gz SGHYEGFFYYQGOK-DENIHFKCSA-N 1 1 459.993 4.678 20 0 JJADMO CCC(CC)(Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)SC ZINC001545774058 1067064753 /nfs/dbraw/zinc/06/47/53/1067064753.db2.gz CIHRUFALMLQLTM-QHCPKHFHSA-N 1 1 478.106 4.821 20 0 JJADMO COc1ccc(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1Br ZINC001458450467 1067064990 /nfs/dbraw/zinc/06/49/90/1067064990.db2.gz VERPCQZAIAKBPI-KUHUBIRLSA-N 1 1 455.755 4.673 20 0 JJADMO CCC(CC)(Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)SC ZINC001545777986 1067072760 /nfs/dbraw/zinc/07/27/60/1067072760.db2.gz SSKNQLKGERBAPW-GHTZIAJQSA-N 1 1 478.106 4.677 20 0 JJADMO COc1ccccc1[C@@H]1[C@H](C(=O)Nc2cc[nH+]c(N(C)C)c2)CCC(=O)N1c1ccc(C)cc1 ZINC001458493044 1067073978 /nfs/dbraw/zinc/07/39/78/1067073978.db2.gz UWANLVMLCDPDQB-ATIYNZHBSA-N 1 1 458.562 4.588 20 0 JJADMO CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)SC ZINC001545779339 1067073973 /nfs/dbraw/zinc/07/39/73/1067073973.db2.gz LQWCJTMMJKNUGG-OAQYLSRUSA-N 1 1 452.672 4.906 20 0 JJADMO CC[C@]1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001546101392 1067074366 /nfs/dbraw/zinc/07/43/66/1067074366.db2.gz CERTYPRKPIUDIC-ZYLNGJIFSA-N 1 1 476.065 4.636 20 0 JJADMO COc1ccccc1[C@H]1[C@H](C(=O)Nc2cc[nH+]c(N(C)C)c2)CCC(=O)N1c1ccc(C)cc1 ZINC001458493062 1067074431 /nfs/dbraw/zinc/07/44/31/1067074431.db2.gz UWANLVMLCDPDQB-GJZUVCINSA-N 1 1 458.562 4.588 20 0 JJADMO CCC(O)(CC)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001546022539 1067077333 /nfs/dbraw/zinc/07/73/33/1067077333.db2.gz HOUWMTBLQYDOCK-IFMALSPDSA-N 1 1 490.092 4.914 20 0 JJADMO CC[C@@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@@H+](C)Cc2ccccc2)CCO1 ZINC001546101731 1067081771 /nfs/dbraw/zinc/08/17/71/1067081771.db2.gz KAHNLVDNOQNPGG-GKAFBRTNSA-N 1 1 483.701 4.724 20 0 JJADMO CCC(CC)(Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)OC ZINC001545789513 1067085781 /nfs/dbraw/zinc/08/57/81/1067085781.db2.gz JWHLVWMJWFKRHP-HSZRJFAPSA-N 1 1 476.669 4.570 20 0 JJADMO CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@@H]3N(C(=O)OC(C)(C)C)CCCC3(C)C)CC2)cc1 ZINC001450524414 1067086367 /nfs/dbraw/zinc/08/63/67/1067086367.db2.gz MSDJNAUFHMVYPW-QHCPKHFHSA-N 1 1 457.659 4.880 20 0 JJADMO CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)OC ZINC001545789785 1067086705 /nfs/dbraw/zinc/08/67/05/1067086705.db2.gz TVWSNZHFSNRCNJ-LADGPHEKSA-N 1 1 468.690 4.560 20 0 JJADMO CCC(CC)(Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C)SC ZINC001545791400 1067089011 /nfs/dbraw/zinc/08/90/11/1067089011.db2.gz QYAMJASELLNLCS-IFMALSPDSA-N 1 1 471.715 4.667 20 0 JJADMO CC(C)(C)OC(=O)NC[C@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccc2ccccc2c1 ZINC001458568333 1067089201 /nfs/dbraw/zinc/08/92/01/1067089201.db2.gz QHKCFHSAAQZKEN-LVXARBLLSA-N 1 1 457.590 4.734 20 0 JJADMO CCC(CC)(Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)OC ZINC001545791545 1067089438 /nfs/dbraw/zinc/08/94/38/1067089438.db2.gz WYTMXCFHOFBULX-UHFFFAOYSA-N 1 1 471.690 4.588 20 0 JJADMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)[C@H](Oc2cccc(Br)c2)c2ccccc2)C1 ZINC001458586437 1067090804 /nfs/dbraw/zinc/09/08/04/1067090804.db2.gz KGCKIOMNBUZJQX-DHIUTWEWSA-N 1 1 451.364 4.872 20 0 JJADMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)[C@H](Oc2cccc(Br)c2)c2ccccc2)C1 ZINC001458586437 1067090818 /nfs/dbraw/zinc/09/08/18/1067090818.db2.gz KGCKIOMNBUZJQX-DHIUTWEWSA-N 1 1 451.364 4.872 20 0 JJADMO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@H]3CC(C)(C)Oc4ccc(NC(=O)OC(C)(C)C)cc43)C[N@H+]2C1 ZINC001450555125 1067090895 /nfs/dbraw/zinc/09/08/95/1067090895.db2.gz OHJIDHFBZAIEOZ-IGGJEDBVSA-N 1 1 457.615 4.872 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCC[C@@H](COc4ccccc4Cl)C3)cc2)C[C@H](C)O1 ZINC001458593459 1067091648 /nfs/dbraw/zinc/09/16/48/1067091648.db2.gz MOXPPDHTWDTEBL-RZUBCFFCSA-N 1 1 457.014 4.880 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCC[C@@H](COc4ccccc4Cl)C3)cc2)C[C@H](C)O1 ZINC001458593459 1067091657 /nfs/dbraw/zinc/09/16/57/1067091657.db2.gz MOXPPDHTWDTEBL-RZUBCFFCSA-N 1 1 457.014 4.880 20 0 JJADMO Cc1ccc(C[N@@H+]2CCO[C@H](CNc3ncncc3-c3ccc(Br)cc3)C2)cc1 ZINC001458590297 1067091692 /nfs/dbraw/zinc/09/16/92/1067091692.db2.gz FVKJUDDRVRIGSJ-OAQYLSRUSA-N 1 1 453.384 4.527 20 0 JJADMO Cc1ccc(C[N@H+]2CCO[C@H](CNc3ncncc3-c3ccc(Br)cc3)C2)cc1 ZINC001458590297 1067091698 /nfs/dbraw/zinc/09/16/98/1067091698.db2.gz FVKJUDDRVRIGSJ-OAQYLSRUSA-N 1 1 453.384 4.527 20 0 JJADMO C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1ccc(Br)cc1F ZINC001450596456 1067093126 /nfs/dbraw/zinc/09/31/26/1067093126.db2.gz MQNANJMGBHXRRA-KSSFIOAISA-N 1 1 455.318 4.923 20 0 JJADMO CCC(O)(CC)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001546024453 1067094640 /nfs/dbraw/zinc/09/46/40/1067094640.db2.gz FWRCMOMGCMJBJU-UHFFFAOYSA-N 1 1 492.506 4.815 20 0 JJADMO CCC(CC)(Cn1c([C@H]2CCCO2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1)SC ZINC001545796554 1067096251 /nfs/dbraw/zinc/09/62/51/1067096251.db2.gz IQOOVNHAGKPMMW-AZUAARDMSA-N 1 1 463.717 4.996 20 0 JJADMO CCC(CC)(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1)OC ZINC001545796935 1067097612 /nfs/dbraw/zinc/09/76/12/1067097612.db2.gz SPXYSLLMOUWZEO-YMPZKCBVSA-N 1 1 475.722 4.713 20 0 JJADMO CCC(CC)[C@H](CCn1c(Cc2ccccc2F)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C)OC ZINC001545803004 1067111297 /nfs/dbraw/zinc/11/12/97/1067111297.db2.gz GFKSUQUZXYSDAN-KWOQKUFVSA-N 1 1 457.638 4.522 20 0 JJADMO CCC(CC)[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2CCCC[C@H]2C1)[NH+](C)C ZINC001545804777 1067116343 /nfs/dbraw/zinc/11/63/43/1067116343.db2.gz BHKRYHRQWYMZKL-OPHFCASCSA-N 1 1 486.680 4.598 20 0 JJADMO CCC(CC)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCN2CCCC[C@@H]2C1)[NH+](C)C ZINC001545805775 1067121729 /nfs/dbraw/zinc/12/17/29/1067121729.db2.gz RWSXWSPKZCDTNC-PKTZIBPZSA-N 1 1 459.082 4.639 20 0 JJADMO C[C@@H]1[C@@H](NC(=O)[C@H](F)CN(Cc2ccccc2)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001450801332 1067122565 /nfs/dbraw/zinc/12/25/65/1067122565.db2.gz SDIBCVDOYWYHJD-QPVYNBJUSA-N 1 1 459.609 4.806 20 0 JJADMO COc1ccc(-c2nc(C)c(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C)s2)cc1OC ZINC001450807640 1067123965 /nfs/dbraw/zinc/12/39/65/1067123965.db2.gz XHFYANGYVIISPI-PXNSSMCTSA-N 1 1 451.592 4.529 20 0 JJADMO CCC(O)(CC)Cn1c(-c2ccc(C)o2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001546026295 1067124205 /nfs/dbraw/zinc/12/42/05/1067124205.db2.gz KKDVLLFVZLINQI-NFBKMPQASA-N 1 1 465.642 4.887 20 0 JJADMO COc1ccc(-c2nc(C)c(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C)s2)cc1OC ZINC001450807643 1067124839 /nfs/dbraw/zinc/12/48/39/1067124839.db2.gz XHFYANGYVIISPI-XLIONFOSSA-N 1 1 451.592 4.529 20 0 JJADMO CCC(CC)[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C(C)C)CC1)[NH+](C)C ZINC001545807267 1067125086 /nfs/dbraw/zinc/12/50/86/1067125086.db2.gz FJIKCGUKHVRRAH-GOSISDBHSA-N 1 1 497.551 4.666 20 0 JJADMO CC[C@H](c1nnc(S[C@@H]2CCO[C@H](c3cccnc3)C2)n1-c1ccc(OC)cc1)[NH+](C)C ZINC001458738192 1067127570 /nfs/dbraw/zinc/12/75/70/1067127570.db2.gz RXLLMDDALBNOHZ-VSKRKVRLSA-N 1 1 453.612 4.696 20 0 JJADMO Cc1ccc(C[N@H+]2CCCN(C(=O)CSc3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC001458743753 1067129556 /nfs/dbraw/zinc/12/95/56/1067129556.db2.gz BITXMSWDESOISN-UHFFFAOYSA-N 1 1 457.949 4.889 20 0 JJADMO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(C)C)CC1)[NH+](C)C ZINC001545808335 1067133632 /nfs/dbraw/zinc/13/36/32/1067133632.db2.gz WVRUBXBDXNBRGS-JOCHJYFZSA-N 1 1 465.061 4.634 20 0 JJADMO O=C(c1ccc(Oc2cccc(Br)c2)cc1)N1CCC([N@H+]2CCCOCC2)CC1 ZINC001450968493 1067137350 /nfs/dbraw/zinc/13/73/50/1067137350.db2.gz OZBKOGDLXQUPAE-UHFFFAOYSA-N 1 1 459.384 4.568 20 0 JJADMO CCC(O)(CC)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001546028117 1067141995 /nfs/dbraw/zinc/14/19/95/1067141995.db2.gz XBFTXRBLWLNPTF-GGAORHGYSA-N 1 1 469.674 4.594 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001451109004 1067146721 /nfs/dbraw/zinc/14/67/21/1067146721.db2.gz JKKCJLNGHSROTA-JPYHZWLXSA-N 1 1 481.612 4.700 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)C1 ZINC001451106516 1067146752 /nfs/dbraw/zinc/14/67/52/1067146752.db2.gz IBGMAERETPNGEM-JPYHZWLXSA-N 1 1 481.612 4.557 20 0 JJADMO CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCC[N@H+]1CCCC1(C)C)c1cccc(Cl)c1Cl ZINC001451299722 1067157957 /nfs/dbraw/zinc/15/79/57/1067157957.db2.gz ITBRBSLGXYHZFF-GOSISDBHSA-N 1 1 458.430 4.892 20 0 JJADMO CCC(CC)c1cc(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)on1 ZINC001545823515 1067167528 /nfs/dbraw/zinc/16/75/28/1067167528.db2.gz OWFYDXUOODGOBP-MOPGFXCFSA-N 1 1 496.656 4.821 20 0 JJADMO CCC(CC)c1cc(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)on1 ZINC001545823516 1067167609 /nfs/dbraw/zinc/16/76/09/1067167609.db2.gz OWFYDXUOODGOBP-OALUTQOASA-N 1 1 496.656 4.821 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(F)c(F)c2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001545826142 1067173396 /nfs/dbraw/zinc/17/33/96/1067173396.db2.gz GZRUGUWXSXVEQW-JTSKRJEESA-N 1 1 490.643 4.793 20 0 JJADMO CC(C)OCCCn1c(=O)c2ccc(Cl)cc2nc1SCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001458895008 1067188607 /nfs/dbraw/zinc/18/86/07/1067188607.db2.gz NKDSALNTJCAMQU-HDICACEKSA-N 1 1 452.064 4.935 20 0 JJADMO C[C@@H]1[C@H](NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CCCN1C(=O)OC(C)(C)C ZINC001451736978 1067189739 /nfs/dbraw/zinc/18/97/39/1067189739.db2.gz IWQFHKQWKWJTEN-HYBUGGRVSA-N 1 1 451.611 4.836 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2)C1CCCCC1 ZINC001451877613 1067195751 /nfs/dbraw/zinc/19/57/51/1067195751.db2.gz FKJCDZJIYIRDRF-SFHVURJKSA-N 1 1 450.649 4.712 20 0 JJADMO Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)cc1 ZINC001451873419 1067195966 /nfs/dbraw/zinc/19/59/66/1067195966.db2.gz ANVBPMQTCLBARS-IBGZPJMESA-N 1 1 458.628 4.813 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H](C)C2)n1CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001545848528 1067200095 /nfs/dbraw/zinc/20/00/95/1067200095.db2.gz CASVQVXISFREJK-KHUIQGCPSA-N 1 1 480.701 4.589 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545849382 1067202454 /nfs/dbraw/zinc/20/24/54/1067202454.db2.gz OCIIDLHPGFTKKL-QHAWAJNXSA-N 1 1 474.738 4.825 20 0 JJADMO Cc1cc(OCc2ccccc2)c(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)s1 ZINC001458976943 1067215192 /nfs/dbraw/zinc/21/51/92/1067215192.db2.gz XGFVPQYMKOROJG-HSZRJFAPSA-N 1 1 450.604 4.656 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCOc2cccc(Br)c2C1 ZINC001452453257 1067224748 /nfs/dbraw/zinc/22/47/48/1067224748.db2.gz LPUZZXGUJGXIBZ-NHCUHLMSSA-N 1 1 471.439 4.964 20 0 JJADMO C[N@H+]1CCN(C(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)C[C@H]1C(C)(C)C ZINC001452600189 1067235700 /nfs/dbraw/zinc/23/57/00/1067235700.db2.gz NPZMLQXBCZBMOX-FQEVSTJZSA-N 1 1 458.400 4.504 20 0 JJADMO C[NH+](C)Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)cc1Br ZINC001459070241 1067243829 /nfs/dbraw/zinc/24/38/29/1067243829.db2.gz AWIDHJYKPAEPQZ-UHFFFAOYSA-N 1 1 459.384 4.732 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(CN(C)C(=O)c3cccc(F)c3OC(F)(F)F)cc2)C[C@H](C)O1 ZINC001452692649 1067244980 /nfs/dbraw/zinc/24/49/80/1067244980.db2.gz WFJGLDGTCQBBBZ-IYBDPMFKSA-N 1 1 454.464 4.606 20 0 JJADMO CCC1(CC)CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001546105876 1067245858 /nfs/dbraw/zinc/24/58/58/1067245858.db2.gz AAXDVCUNLZWDQY-UHFFFAOYSA-N 1 1 499.700 4.868 20 0 JJADMO CCC1(CC)CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001546105876 1067245864 /nfs/dbraw/zinc/24/58/64/1067245864.db2.gz AAXDVCUNLZWDQY-UHFFFAOYSA-N 1 1 499.700 4.868 20 0 JJADMO Cc1ccc(C(=O)CCC(=O)CCC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)s1 ZINC001452768158 1067250210 /nfs/dbraw/zinc/25/02/10/1067250210.db2.gz HQSGSVSZYOAVRK-SESVDKBCSA-N 1 1 454.636 4.879 20 0 JJADMO Cc1ccc(C(=O)CCC(=O)CCC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)s1 ZINC001452768158 1067250218 /nfs/dbraw/zinc/25/02/18/1067250218.db2.gz HQSGSVSZYOAVRK-SESVDKBCSA-N 1 1 454.636 4.879 20 0 JJADMO CCC1(CC)CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCn2cc[nH+]c2C)C1 ZINC001546106410 1067253159 /nfs/dbraw/zinc/25/31/59/1067253159.db2.gz VVWAEZVTCYKKMH-UHFFFAOYSA-N 1 1 452.603 4.574 20 0 JJADMO COc1ccc([C@H]2CCCN2C(=O)CS[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC001459139623 1067259009 /nfs/dbraw/zinc/25/90/09/1067259009.db2.gz BSOBIQMAPKGTGC-LADGPHEKSA-N 1 1 454.636 4.765 20 0 JJADMO CC[N@@H+](CCCNC(=O)c1ccc2c(c1)OCCN(C(=O)OC(C)(C)C)C2)C1CCCCC1 ZINC001452896373 1067260603 /nfs/dbraw/zinc/26/06/03/1067260603.db2.gz UAHYKHVSVPKKRP-UHFFFAOYSA-N 1 1 459.631 4.591 20 0 JJADMO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1C(=O)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001452946665 1067266030 /nfs/dbraw/zinc/26/60/30/1067266030.db2.gz HBKDPUNGJWTAGJ-AGILITTLSA-N 1 1 454.586 4.748 20 0 JJADMO C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)cc1 ZINC001452980631 1067270065 /nfs/dbraw/zinc/27/00/65/1067270065.db2.gz YMEJVWGOLWNKSG-GBXCKJPGSA-N 1 1 451.611 4.661 20 0 JJADMO O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC001452996975 1067272747 /nfs/dbraw/zinc/27/27/47/1067272747.db2.gz YDWVGAZPFCWAFR-GOSISDBHSA-N 1 1 450.385 4.693 20 0 JJADMO O=C(NCc1ccc(F)cc1Br)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001459243813 1067276695 /nfs/dbraw/zinc/27/66/95/1067276695.db2.gz QKROZQDNNAPPAW-IBGZPJMESA-N 1 1 459.281 4.659 20 0 JJADMO C[N@@H+](Cc1ccc2nc(NC(=O)[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)sc2c1)C1CC1 ZINC001453112977 1067279303 /nfs/dbraw/zinc/27/93/03/1067279303.db2.gz UWNLEDADMICFLA-XMMPIXPASA-N 1 1 458.628 4.866 20 0 JJADMO COc1cccc(C[NH+]2CCC(NC(=O)c3ccccc3C(=O)c3cc(C)ccc3C)CC2)c1 ZINC001453139634 1067283159 /nfs/dbraw/zinc/28/31/59/1067283159.db2.gz CLVOJGMHZOPJNZ-UHFFFAOYSA-N 1 1 456.586 4.937 20 0 JJADMO Cc1nc(C[NH+]2CCC(C(=O)Nc3cccc4c3CN(C(=O)OC(C)(C)C)C4)CC2)cs1 ZINC001453173253 1067285837 /nfs/dbraw/zinc/28/58/37/1067285837.db2.gz XGFCYPIXEODOGL-UHFFFAOYSA-N 1 1 456.612 4.553 20 0 JJADMO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC001459309066 1067289763 /nfs/dbraw/zinc/28/97/63/1067289763.db2.gz DOFMCTIVXKKPGX-KRWDZBQOSA-N 1 1 458.624 4.865 20 0 JJADMO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001459310875 1067291142 /nfs/dbraw/zinc/29/11/42/1067291142.db2.gz GNBDPIJDUKOJDA-HSZRJFAPSA-N 1 1 451.014 4.842 20 0 JJADMO COc1cc(Cl)c(Br)cc1C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001459316865 1067292554 /nfs/dbraw/zinc/29/25/54/1067292554.db2.gz UZPRUSICTQNPMJ-LJQANCHMSA-N 1 1 451.792 4.752 20 0 JJADMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1nn(-c2cc(F)cc(F)c2)c2c1CCC2 ZINC001459320242 1067294142 /nfs/dbraw/zinc/29/41/42/1067294142.db2.gz ARCTZVFQTNXLGV-QHCPKHFHSA-N 1 1 452.549 4.526 20 0 JJADMO O=C(CC[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1)Nc1ccccc1C(F)(F)F ZINC001459351938 1067301153 /nfs/dbraw/zinc/30/11/53/1067301153.db2.gz XZLCTFHYVZCXSO-UHFFFAOYSA-N 1 1 453.892 4.536 20 0 JJADMO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(Br)c1 ZINC001459350923 1067301178 /nfs/dbraw/zinc/30/11/78/1067301178.db2.gz YIZFAPCQPNKSFB-CYBMUJFWSA-N 1 1 453.402 4.709 20 0 JJADMO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(Br)c1 ZINC001459350923 1067301188 /nfs/dbraw/zinc/30/11/88/1067301188.db2.gz YIZFAPCQPNKSFB-CYBMUJFWSA-N 1 1 453.402 4.709 20 0 JJADMO C[C@@H]1N(C(=O)[C@@H](C[N@@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)c2ccccc2C1(C)C ZINC001453435401 1067306103 /nfs/dbraw/zinc/30/61/03/1067306103.db2.gz BXVWTXAVRJYWCZ-SIKLNZKXSA-N 1 1 451.611 4.725 20 0 JJADMO C[C@@H]1N(C(=O)[C@H](C[N@@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)c2ccccc2C1(C)C ZINC001453435425 1067306353 /nfs/dbraw/zinc/30/63/53/1067306353.db2.gz BXVWTXAVRJYWCZ-UGKGYDQZSA-N 1 1 451.611 4.725 20 0 JJADMO COCc1ccccc1CNC(=O)C[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@@H](C)[C@H]1C ZINC001459392052 1067311625 /nfs/dbraw/zinc/31/16/25/1067311625.db2.gz LBRVZVJNASGKDB-YOSAUDMPSA-N 1 1 452.595 4.505 20 0 JJADMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC001459398581 1067313023 /nfs/dbraw/zinc/31/30/23/1067313023.db2.gz WSNOJNFUPXCLAN-DJPFJPOOSA-N 1 1 454.442 4.674 20 0 JJADMO C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001459413840 1067317806 /nfs/dbraw/zinc/31/78/06/1067317806.db2.gz JBEYRBJMGUGYAX-UNMCSNQZSA-N 1 1 451.611 4.841 20 0 JJADMO C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001459413840 1067317814 /nfs/dbraw/zinc/31/78/14/1067317814.db2.gz JBEYRBJMGUGYAX-UNMCSNQZSA-N 1 1 451.611 4.841 20 0 JJADMO C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001459413835 1067318003 /nfs/dbraw/zinc/31/80/03/1067318003.db2.gz JBEYRBJMGUGYAX-RBBKRZOGSA-N 1 1 451.611 4.841 20 0 JJADMO C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001459413835 1067318014 /nfs/dbraw/zinc/31/80/14/1067318014.db2.gz JBEYRBJMGUGYAX-RBBKRZOGSA-N 1 1 451.611 4.841 20 0 JJADMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CCC(=O)Nc1cccc(Br)c1 ZINC001459415008 1067318431 /nfs/dbraw/zinc/31/84/31/1067318431.db2.gz HXQPBYNQOIJQNJ-UHFFFAOYSA-N 1 1 459.363 4.872 20 0 JJADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC001459419442 1067320112 /nfs/dbraw/zinc/32/01/12/1067320112.db2.gz ULYOFTCQLDRKQO-HSZRJFAPSA-N 1 1 451.611 4.832 20 0 JJADMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(-c3ccc(Br)cc3)cc2)C1 ZINC001459424133 1067322197 /nfs/dbraw/zinc/32/21/97/1067322197.db2.gz YDCIQDBFSPOAMP-WZONZLPQSA-N 1 1 459.428 4.634 20 0 JJADMO C[N@@H+](Cc1ccccc1)CC1CCN(CC(=O)NCC2(c3ccc(F)cc3)CCCC2)CC1 ZINC001459429243 1067324076 /nfs/dbraw/zinc/32/40/76/1067324076.db2.gz SIDZZTYVQNMVTN-UHFFFAOYSA-N 1 1 451.630 4.598 20 0 JJADMO C[N@H+](Cc1ccccc1)CC1CCN(CC(=O)NCC2(c3ccc(F)cc3)CCCC2)CC1 ZINC001459429243 1067324091 /nfs/dbraw/zinc/32/40/91/1067324091.db2.gz SIDZZTYVQNMVTN-UHFFFAOYSA-N 1 1 451.630 4.598 20 0 JJADMO CCCOc1cccc(CNC(=O)C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCC(C)CC2)c1 ZINC001459429683 1067324243 /nfs/dbraw/zinc/32/42/43/1067324243.db2.gz ZIXYNLDMAQJKPR-UHFFFAOYSA-N 1 1 452.595 4.901 20 0 JJADMO O=C(c1c(Cl)cccc1Oc1ccc(F)c(Cl)c1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001453742074 1067326191 /nfs/dbraw/zinc/32/61/91/1067326191.db2.gz YQVXYTCEVOIZAM-HNNXBMFYSA-N 1 1 453.341 4.596 20 0 JJADMO O=C(CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)OC1CCCCC1 ZINC001459463700 1067330782 /nfs/dbraw/zinc/33/07/82/1067330782.db2.gz LHHLEWOEOITXEE-LOSJGSFVSA-N 1 1 469.025 4.938 20 0 JJADMO C[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC001459493641 1067338436 /nfs/dbraw/zinc/33/84/36/1067338436.db2.gz MAHOGNMRBUQYJG-QRWLVFNGSA-N 1 1 457.334 4.880 20 0 JJADMO Cc1cccc(O[C@@H](C)C(=O)N2CC[NH+](CC/C=C/c3ccc(Br)cc3)CC2)c1 ZINC001459493880 1067338465 /nfs/dbraw/zinc/33/84/65/1067338465.db2.gz YJWOTCQMIGNQKZ-BEGIUABZSA-N 1 1 457.412 4.773 20 0 JJADMO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001459496216 1067338948 /nfs/dbraw/zinc/33/89/48/1067338948.db2.gz ZSJBZPIOGFZYEX-GUYCJALGSA-N 1 1 455.864 4.842 20 0 JJADMO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001459496216 1067338957 /nfs/dbraw/zinc/33/89/57/1067338957.db2.gz ZSJBZPIOGFZYEX-GUYCJALGSA-N 1 1 455.864 4.842 20 0 JJADMO COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+](CC(=O)NCc2cccc(COC(C)C)c2)C1 ZINC001459525721 1067344517 /nfs/dbraw/zinc/34/45/17/1067344517.db2.gz JCCWFLPTGLGGKN-NRFANRHFSA-N 1 1 459.030 4.845 20 0 JJADMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC001459528944 1067345337 /nfs/dbraw/zinc/34/53/37/1067345337.db2.gz ZOEOIEQNXBPFJU-PMACEKPBSA-N 1 1 454.640 4.525 20 0 JJADMO Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)cc1 ZINC001459567340 1067354155 /nfs/dbraw/zinc/35/41/55/1067354155.db2.gz VBIIOGMAPHRXKL-VCOUNFBDSA-N 1 1 459.512 4.869 20 0 JJADMO COc1ccc([C@H](CNC(=O)OC(C)(C)C)C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC001459598896 1067360216 /nfs/dbraw/zinc/36/02/16/1067360216.db2.gz ONUQDLZAEGHHFJ-JOCHJYFZSA-N 1 1 450.583 4.729 20 0 JJADMO COc1ccc([C@H](CNC(=O)OC(C)(C)C)C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC001459598896 1067360223 /nfs/dbraw/zinc/36/02/23/1067360223.db2.gz ONUQDLZAEGHHFJ-JOCHJYFZSA-N 1 1 450.583 4.729 20 0 JJADMO C[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@H]1CNC(=O)OC(C)(C)C ZINC001459607283 1067361867 /nfs/dbraw/zinc/36/18/67/1067361867.db2.gz HZPPHOQPSZQQQQ-BEFAXECRSA-N 1 1 458.430 4.577 20 0 JJADMO C[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@H]1CNC(=O)OC(C)(C)C ZINC001459607283 1067361879 /nfs/dbraw/zinc/36/18/79/1067361879.db2.gz HZPPHOQPSZQQQQ-BEFAXECRSA-N 1 1 458.430 4.577 20 0 JJADMO CCC1(CC)CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546110472 1067362451 /nfs/dbraw/zinc/36/24/51/1067362451.db2.gz AMEYSTUMXRHGDH-ZRZAMGCNSA-N 1 1 467.702 4.968 20 0 JJADMO O=C(C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1)NCc1ccc(F)cc1C(F)(F)F ZINC001459611797 1067363591 /nfs/dbraw/zinc/36/35/91/1067363591.db2.gz YHYUYFBBTVGMRJ-IEBWSBKVSA-N 1 1 458.521 4.891 20 0 JJADMO CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2cc(-c3cc(C)ccc3C)nn2-c2ccccc2)C[C@@H]1C ZINC001459613030 1067364152 /nfs/dbraw/zinc/36/41/52/1067364152.db2.gz JJBCXRGUPHPFFY-LADGPHEKSA-N 1 1 459.638 4.899 20 0 JJADMO CCc1ccc(-c2cc(NC(=O)CN(C)[C@H]3CC[N@H+](CC)[C@@H](C)C3)n(-c3ccccc3)n2)cc1 ZINC001459612444 1067364324 /nfs/dbraw/zinc/36/43/24/1067364324.db2.gz FOSLFPJFTDHEMJ-OFVILXPXSA-N 1 1 459.638 4.845 20 0 JJADMO COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@H+]2CC[C@H](Cc3ccccc3)[C@H]2C)cc1 ZINC001459628478 1067368617 /nfs/dbraw/zinc/36/86/17/1067368617.db2.gz GSWQTQJRMARAIA-IFMALSPDSA-N 1 1 457.574 4.839 20 0 JJADMO CN(C[C@H]1CCC[N@H+]1Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2)C(=O)OC(C)(C)C ZINC001459634007 1067369269 /nfs/dbraw/zinc/36/92/69/1067369269.db2.gz DZDQYUOEARPEKU-OAQYLSRUSA-N 1 1 459.631 4.811 20 0 JJADMO CCN(C[C@@H]1CC[N@H+](CC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)C1)CC(F)(F)F ZINC001459637447 1067369766 /nfs/dbraw/zinc/36/97/66/1067369766.db2.gz VJWMQFNJPWRMAP-KRWDZBQOSA-N 1 1 454.562 4.572 20 0 JJADMO CCN(C[C@@H]1CC[N@@H+](CC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)C1)CC(F)(F)F ZINC001459637447 1067369777 /nfs/dbraw/zinc/36/97/77/1067369777.db2.gz VJWMQFNJPWRMAP-KRWDZBQOSA-N 1 1 454.562 4.572 20 0 JJADMO C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC001459649236 1067371937 /nfs/dbraw/zinc/37/19/37/1067371937.db2.gz DQWFIVRYKHCUCT-RTBURBONSA-N 1 1 458.599 4.889 20 0 JJADMO C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC001459649236 1067371949 /nfs/dbraw/zinc/37/19/49/1067371949.db2.gz DQWFIVRYKHCUCT-RTBURBONSA-N 1 1 458.599 4.889 20 0 JJADMO CC(C)(C)c1ccc(CCNC(=O)C[N@@H+](Cc2ccccc2)C[C@H](O)c2cccs2)cc1 ZINC001459652456 1067372401 /nfs/dbraw/zinc/37/24/01/1067372401.db2.gz STZJUIJQNPTYIC-DEOSSOPVSA-N 1 1 450.648 4.940 20 0 JJADMO CC(C)(C)c1ccc(CCNC(=O)C[N@H+](Cc2ccccc2)C[C@H](O)c2cccs2)cc1 ZINC001459652456 1067372412 /nfs/dbraw/zinc/37/24/12/1067372412.db2.gz STZJUIJQNPTYIC-DEOSSOPVSA-N 1 1 450.648 4.940 20 0 JJADMO COc1ccc2c(c1)C[N@H+](CC(=O)NCCCOc1ccccc1F)[C@@H](C1CCCCC1)C2 ZINC001459664186 1067375634 /nfs/dbraw/zinc/37/56/34/1067375634.db2.gz LBNPFONKJSTRCC-RUZDIDTESA-N 1 1 454.586 4.727 20 0 JJADMO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[N@@H+](C)[C@@H]1C[C@@H](OCC)C12CCC2 ZINC001459664658 1067376157 /nfs/dbraw/zinc/37/61/57/1067376157.db2.gz AWTRDRYPKURBLS-NHCUHLMSSA-N 1 1 456.608 4.810 20 0 JJADMO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[N@H+](C)[C@@H]1C[C@@H](OCC)C12CCC2 ZINC001459664658 1067376161 /nfs/dbraw/zinc/37/61/61/1067376161.db2.gz AWTRDRYPKURBLS-NHCUHLMSSA-N 1 1 456.608 4.810 20 0 JJADMO COc1cccc([C@@H](O)C[N@H+](CC(=O)N(C2CC2)C2CCC(C)CC2)Cc2ccccc2)c1 ZINC001459665504 1067376344 /nfs/dbraw/zinc/37/63/44/1067376344.db2.gz AUJFWIDAHJFDJC-CGYPVTCASA-N 1 1 450.623 4.801 20 0 JJADMO COc1cccc([C@@H](O)C[N@@H+](CC(=O)N(C2CC2)C2CCC(C)CC2)Cc2ccccc2)c1 ZINC001459665504 1067376357 /nfs/dbraw/zinc/37/63/57/1067376357.db2.gz AUJFWIDAHJFDJC-CGYPVTCASA-N 1 1 450.623 4.801 20 0 JJADMO CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)CN(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001459667367 1067376796 /nfs/dbraw/zinc/37/67/96/1067376796.db2.gz INDNSEZJWFFBSA-PXNSSMCTSA-N 1 1 457.640 4.501 20 0 JJADMO CSc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC001459666067 1067376860 /nfs/dbraw/zinc/37/68/60/1067376860.db2.gz YJMWYATULWASHF-IEBWSBKVSA-N 1 1 459.999 4.731 20 0 JJADMO O=C(C[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC001459668595 1067378212 /nfs/dbraw/zinc/37/82/12/1067378212.db2.gz LLNVLJWSEBPTED-UHFFFAOYSA-N 1 1 459.512 4.547 20 0 JJADMO CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2cc(-c3cc(C)cc(C)c3)nn2-c2ccccc2)[C@H](C)C1 ZINC001459671949 1067379532 /nfs/dbraw/zinc/37/95/32/1067379532.db2.gz WTZCSELQTGIOOS-GJZUVCINSA-N 1 1 459.638 4.757 20 0 JJADMO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001459706648 1067389269 /nfs/dbraw/zinc/38/92/69/1067389269.db2.gz MGGOWIBVXNEBFN-RUZDIDTESA-N 1 1 454.977 4.674 20 0 JJADMO Cc1nc(C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)nn1-c1c(Cl)cccc1Cl ZINC001459706466 1067389346 /nfs/dbraw/zinc/38/93/46/1067389346.db2.gz KLIGJBRYAGJRIW-QHCPKHFHSA-N 1 1 458.393 4.525 20 0 JJADMO C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+](C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)C1=O ZINC001459706989 1067389810 /nfs/dbraw/zinc/38/98/10/1067389810.db2.gz HHLXEWQSFHTJOW-UUOWRZLLSA-N 1 1 452.549 4.592 20 0 JJADMO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC001459708185 1067390484 /nfs/dbraw/zinc/39/04/84/1067390484.db2.gz PHCXMIJNGWKXNG-KRWDZBQOSA-N 1 1 458.528 4.588 20 0 JJADMO C[C@]([NH2+]Cc1ccc(Br)c2cccnc12)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC001459709704 1067390753 /nfs/dbraw/zinc/39/07/53/1067390753.db2.gz YGJLBQSIRUKMMR-LJQANCHMSA-N 1 1 452.274 4.506 20 0 JJADMO CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@H]1C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001459710098 1067391274 /nfs/dbraw/zinc/39/12/74/1067391274.db2.gz XYJNJZCWYGUURN-QSEAXJEQSA-N 1 1 457.659 4.879 20 0 JJADMO CC(=O)N(c1nc(C[NH2+][C@](C)(CNC(=O)OC(C)(C)C)C2CC2)cs1)c1ccc(C)cc1 ZINC001459724140 1067396482 /nfs/dbraw/zinc/39/64/82/1067396482.db2.gz WEBLWEXNTAFJMF-XMMPIXPASA-N 1 1 458.628 4.919 20 0 JJADMO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001459744260 1067403057 /nfs/dbraw/zinc/40/30/57/1067403057.db2.gz WJAAAPRVBUWSIR-QWHCGFSZSA-N 1 1 455.773 4.720 20 0 JJADMO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001459744260 1067403058 /nfs/dbraw/zinc/40/30/58/1067403058.db2.gz WJAAAPRVBUWSIR-QWHCGFSZSA-N 1 1 455.773 4.720 20 0 JJADMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)C2)n1 ZINC001459744962 1067403478 /nfs/dbraw/zinc/40/34/78/1067403478.db2.gz YJIPXLKALSIBOB-NGQZJGFESA-N 1 1 456.631 4.609 20 0 JJADMO C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001459745683 1067404027 /nfs/dbraw/zinc/40/40/27/1067404027.db2.gz AVMGTJQQWQMZFA-FQEVSTJZSA-N 1 1 451.611 4.841 20 0 JJADMO COc1ccc(Cl)cc1CNC(=O)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(C)c1 ZINC001459754352 1067407911 /nfs/dbraw/zinc/40/79/11/1067407911.db2.gz FIGNKUYSYCAJAF-XMMPIXPASA-N 1 1 452.982 4.509 20 0 JJADMO COc1ccc(Cl)cc1CNC(=O)C[N@H+](Cc1ccccc1)C[C@@H](O)c1cccc(C)c1 ZINC001459754352 1067407915 /nfs/dbraw/zinc/40/79/15/1067407915.db2.gz FIGNKUYSYCAJAF-XMMPIXPASA-N 1 1 452.982 4.509 20 0 JJADMO C[C@@H](OCCCNC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)c1ccccc1 ZINC001459757869 1067409832 /nfs/dbraw/zinc/40/98/32/1067409832.db2.gz AMOQDEWIKITVSN-YLJYHZDGSA-N 1 1 451.394 4.731 20 0 JJADMO C[C@@H](OCCCNC(=O)C[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)c1ccccc1 ZINC001459757869 1067409835 /nfs/dbraw/zinc/40/98/35/1067409835.db2.gz AMOQDEWIKITVSN-YLJYHZDGSA-N 1 1 451.394 4.731 20 0 JJADMO Cc1cccc([C@H](O)C[N@H+](Cc2ccccc2)C[C@H](O)COc2cccc(C(F)(F)F)c2)c1 ZINC001459762315 1067412522 /nfs/dbraw/zinc/41/25/22/1067412522.db2.gz IEJJBUTUONQTAJ-UKILVPOCSA-N 1 1 459.508 4.989 20 0 JJADMO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2[C@H](c2ccc(F)cc2)c2ccc(Br)cc2)cn1 ZINC001459766908 1067414415 /nfs/dbraw/zinc/41/44/15/1067414415.db2.gz BTWFEDQRGLOOSS-ZRBLBEILSA-N 1 1 458.375 4.999 20 0 JJADMO Cc1cc(NC(=O)C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)ccc1Br ZINC001459772573 1067416129 /nfs/dbraw/zinc/41/61/29/1067416129.db2.gz PJIITJPBMMPUDW-OAQYLSRUSA-N 1 1 459.409 4.993 20 0 JJADMO Cc1cc(NC(=O)C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)ccc1Br ZINC001459772573 1067416136 /nfs/dbraw/zinc/41/61/36/1067416136.db2.gz PJIITJPBMMPUDW-OAQYLSRUSA-N 1 1 459.409 4.993 20 0 JJADMO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CCC(OC(C)(C)C)CC2)cc1 ZINC001459776751 1067417027 /nfs/dbraw/zinc/41/70/27/1067417027.db2.gz UKZGTVSOWRDOQY-GOSISDBHSA-N 1 1 453.583 4.554 20 0 JJADMO O=C(C[N@@H+](Cc1ccccc1)C[C@@]1(O)CCc2ccccc21)Nc1cccc(C(F)(F)F)c1 ZINC001459798990 1067428593 /nfs/dbraw/zinc/42/85/93/1067428593.db2.gz WSUOTBVWMGMDCG-VWLOTQADSA-N 1 1 454.492 4.980 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc(SC(F)F)cc3)C[C@@H]21 ZINC001459805610 1067431280 /nfs/dbraw/zinc/43/12/80/1067431280.db2.gz OADSDJOCUTYCFX-JCGIZDLHSA-N 1 1 455.571 4.565 20 0 JJADMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC001459810996 1067433337 /nfs/dbraw/zinc/43/33/37/1067433337.db2.gz UFHFXAJYACARCO-OFNKIYASSA-N 1 1 454.014 4.759 20 0 JJADMO CCC[C@@H]1CN([C@@H]2CCc3cc(Br)ccc3NC2=O)CC[N@H+]1Cc1ccccc1 ZINC001459812185 1067433990 /nfs/dbraw/zinc/43/39/90/1067433990.db2.gz CIFYAVPNKFMTTF-FYYLOGMGSA-N 1 1 456.428 4.689 20 0 JJADMO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 ZINC001459820610 1067438298 /nfs/dbraw/zinc/43/82/98/1067438298.db2.gz SVOFXPBJHVGOEW-FNZWTVRRSA-N 1 1 457.574 4.647 20 0 JJADMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 ZINC001459820610 1067438301 /nfs/dbraw/zinc/43/83/01/1067438301.db2.gz SVOFXPBJHVGOEW-FNZWTVRRSA-N 1 1 457.574 4.647 20 0 JJADMO COc1ccc(-c2csc(NC(=O)C[NH2+][C@@H](c3ccc(F)cc3F)C3CC3)n2)c(OC)c1 ZINC001459837260 1067446444 /nfs/dbraw/zinc/44/64/44/1067446444.db2.gz OHAOBXPCRPNXCN-JOCHJYFZSA-N 1 1 459.518 4.785 20 0 JJADMO CCC1(CC)CCN(c2nnc(COc3ccccc3OC)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001546112242 1067452572 /nfs/dbraw/zinc/45/25/72/1067452572.db2.gz JUDCBTGAUARRBW-OAQYLSRUSA-N 1 1 455.647 4.614 20 0 JJADMO O=C(C[NH2+][C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)Nc1ccc2ccccc2c1 ZINC001459848434 1067453588 /nfs/dbraw/zinc/45/35/88/1067453588.db2.gz RNOPNXHEMDZNDR-JOCHJYFZSA-N 1 1 455.480 4.750 20 0 JJADMO COc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c(Br)c1 ZINC001459862904 1067462577 /nfs/dbraw/zinc/46/25/77/1067462577.db2.gz NRLVLNZEHWRZCW-SGTLLEGYSA-N 1 1 457.290 4.933 20 0 JJADMO Brc1ccc(-c2nc(C[NH2+][C@@H](CN3CCOCC3)c3ccccc3)cs2)cc1 ZINC001459865505 1067463650 /nfs/dbraw/zinc/46/36/50/1067463650.db2.gz XARSBBLFKXRMQS-NRFANRHFSA-N 1 1 458.425 4.736 20 0 JJADMO CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC001459891227 1067475158 /nfs/dbraw/zinc/47/51/58/1067475158.db2.gz MOMRCJCLGFGAMX-IGKIAQTJSA-N 1 1 456.590 4.903 20 0 JJADMO CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC001459891227 1067475168 /nfs/dbraw/zinc/47/51/68/1067475168.db2.gz MOMRCJCLGFGAMX-IGKIAQTJSA-N 1 1 456.590 4.903 20 0 JJADMO Cc1sc(NC(=O)C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)nc1-c1ccc(Cl)cc1 ZINC001459890872 1067475228 /nfs/dbraw/zinc/47/52/28/1067475228.db2.gz MIGCVQMMVDDRND-OAQYLSRUSA-N 1 1 456.011 4.984 20 0 JJADMO Cc1sc(NC(=O)C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)nc1-c1ccc(Cl)cc1 ZINC001459890872 1067475232 /nfs/dbraw/zinc/47/52/32/1067475232.db2.gz MIGCVQMMVDDRND-OAQYLSRUSA-N 1 1 456.011 4.984 20 0 JJADMO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC[C@H]1NC(=O)OC(C)(C)C ZINC001459894744 1067477179 /nfs/dbraw/zinc/47/71/79/1067477179.db2.gz XNNWKSGDEWZEFZ-DBYOASNMSA-N 1 1 457.659 4.756 20 0 JJADMO C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1cccc2ccccc21 ZINC001459910007 1067485096 /nfs/dbraw/zinc/48/50/96/1067485096.db2.gz UCPPYOMDCJUSTD-OSOCVKALSA-N 1 1 451.611 4.738 20 0 JJADMO C[N@@H+](CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001459911588 1067486821 /nfs/dbraw/zinc/48/68/21/1067486821.db2.gz XKQZYTHOTOGZAF-UNMCSNQZSA-N 1 1 457.546 4.803 20 0 JJADMO CC(C)(C)OC(=O)NCC[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC001459915896 1067488875 /nfs/dbraw/zinc/48/88/75/1067488875.db2.gz SUQQLKHZSOSYJY-UHFFFAOYSA-N 1 1 451.611 4.840 20 0 JJADMO CC(C)(C)OC(=O)NCC[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC001459915896 1067488879 /nfs/dbraw/zinc/48/88/79/1067488879.db2.gz SUQQLKHZSOSYJY-UHFFFAOYSA-N 1 1 451.611 4.840 20 0 JJADMO CC[C@H]1CN(CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC001459916552 1067489409 /nfs/dbraw/zinc/48/94/09/1067489409.db2.gz MWSFDZGMZMPVNP-LMSSTIIKSA-N 1 1 459.609 4.970 20 0 JJADMO CC[C@@H]1CN([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC[N@H+]1Cc1ccccc1 ZINC001459918245 1067490374 /nfs/dbraw/zinc/49/03/74/1067490374.db2.gz XJLAEZCFRCIOFO-RPWUZVMVSA-N 1 1 459.556 4.793 20 0 JJADMO CC[C@@H]1C[N@@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CCN1Cc1ccccc1 ZINC001459918245 1067490384 /nfs/dbraw/zinc/49/03/84/1067490384.db2.gz XJLAEZCFRCIOFO-RPWUZVMVSA-N 1 1 459.556 4.793 20 0 JJADMO CC[C@@H]1C[N@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CCN1Cc1ccccc1 ZINC001459918245 1067490393 /nfs/dbraw/zinc/49/03/93/1067490393.db2.gz XJLAEZCFRCIOFO-RPWUZVMVSA-N 1 1 459.556 4.793 20 0 JJADMO C[C@H]([NH2+]CC(=O)Nc1cccc(CN2CCSCC2)c1)C(c1ccccc1)c1ccccc1 ZINC001459927623 1067495373 /nfs/dbraw/zinc/49/53/73/1067495373.db2.gz TWXOXGUMLRWXOI-QFIPXVFZSA-N 1 1 459.659 4.984 20 0 JJADMO O=C(C[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC001459930443 1067496063 /nfs/dbraw/zinc/49/60/63/1067496063.db2.gz IUKNKTMXRNCILU-LJQANCHMSA-N 1 1 452.860 4.558 20 0 JJADMO CCc1cc2oc(=O)cc(C[N@H+](CCO)Cc3cc(Br)cs3)c2cc1Cl ZINC001459934042 1067498051 /nfs/dbraw/zinc/49/80/51/1067498051.db2.gz YDDSNYPUHVTGTB-UHFFFAOYSA-N 1 1 456.789 4.827 20 0 JJADMO CCc1cc2oc(=O)cc(C[N@@H+](CCO)Cc3cc(Br)cs3)c2cc1Cl ZINC001459934042 1067498055 /nfs/dbraw/zinc/49/80/55/1067498055.db2.gz YDDSNYPUHVTGTB-UHFFFAOYSA-N 1 1 456.789 4.827 20 0 JJADMO CC(C)[C@@H](CNC(=O)C[N@H+]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccccc1 ZINC001459951495 1067504499 /nfs/dbraw/zinc/50/44/99/1067504499.db2.gz CAZRDQUOFZIJOV-HSZRJFAPSA-N 1 1 457.659 4.656 20 0 JJADMO CC(C)N1C(=O)C[C@@H]([NH2+]CC(=O)Nc2ccc(F)cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC001459952909 1067505200 /nfs/dbraw/zinc/50/52/00/1067505200.db2.gz UWSUUTJICWHYKK-WIYYLYMNSA-N 1 1 456.320 4.550 20 0 JJADMO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)CC(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC001459954147 1067505302 /nfs/dbraw/zinc/50/53/02/1067505302.db2.gz WHRZGZLEXGLECV-UHFFFAOYSA-N 1 1 452.492 4.783 20 0 JJADMO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)CC(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC001459954147 1067505311 /nfs/dbraw/zinc/50/53/11/1067505311.db2.gz WHRZGZLEXGLECV-UHFFFAOYSA-N 1 1 452.492 4.783 20 0 JJADMO Cc1sc(NC(=O)C[NH2+][C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c(C)c1C ZINC001459954322 1067505669 /nfs/dbraw/zinc/50/56/69/1067505669.db2.gz YYQYQCKZECIONL-RXVVDRJESA-N 1 1 451.995 4.745 20 0 JJADMO Cc1sc(NC(=O)C[NH2+][C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)c1C ZINC001459954320 1067505855 /nfs/dbraw/zinc/50/58/55/1067505855.db2.gz YYQYQCKZECIONL-GHTZIAJQSA-N 1 1 451.995 4.745 20 0 JJADMO CCOC(=O)c1sc(NC(=O)C[N@@H+](C)[C@H]2CCCC[C@@H]2C)c(C(=O)OC(C)(C)C)c1C ZINC001459955776 1067506447 /nfs/dbraw/zinc/50/64/47/1067506447.db2.gz VGMBASDGXRCQEL-HOCLYGCPSA-N 1 1 452.617 4.638 20 0 JJADMO CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)cc1 ZINC001459957993 1067507117 /nfs/dbraw/zinc/50/71/17/1067507117.db2.gz KBALPFXBUPGNSA-HXUWFJFHSA-N 1 1 450.604 4.603 20 0 JJADMO CC[C@H](Cc1ccccc1Br)[N@@H+](C)CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC001459978925 1067514035 /nfs/dbraw/zinc/51/40/35/1067514035.db2.gz GTDCTPUNJZFZMN-HXUWFJFHSA-N 1 1 459.432 4.726 20 0 JJADMO CC[C@@H](Cc1ccccc1Br)[N@H+](C)Cc1nc(N)nc(Nc2ccccc2C)n1 ZINC001459979538 1067514316 /nfs/dbraw/zinc/51/43/16/1067514316.db2.gz JERDFOXWOGNHRC-KRWDZBQOSA-N 1 1 455.404 4.721 20 0 JJADMO CC[C@@H](Cc1ccccc1Br)[N@@H+](C)Cc1nc(N)nc(Nc2ccccc2C)n1 ZINC001459979538 1067514323 /nfs/dbraw/zinc/51/43/23/1067514323.db2.gz JERDFOXWOGNHRC-KRWDZBQOSA-N 1 1 455.404 4.721 20 0 JJADMO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)cc1 ZINC001459991897 1067518558 /nfs/dbraw/zinc/51/85/58/1067518558.db2.gz HZYCJUDSPAEZSV-YADARESESA-N 1 1 458.562 4.754 20 0 JJADMO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+]3C[C@@H](C)C[C@@H]3c3cccnc3)cc2)cc1 ZINC001459999456 1067521036 /nfs/dbraw/zinc/52/10/36/1067521036.db2.gz ZEMISGQYIYAGCT-UQBPGWFLSA-N 1 1 458.562 4.754 20 0 JJADMO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@H+]3C[C@@H](C)C[C@@H]3c3cccnc3)cc2)cc1 ZINC001459999456 1067521044 /nfs/dbraw/zinc/52/10/44/1067521044.db2.gz ZEMISGQYIYAGCT-UQBPGWFLSA-N 1 1 458.562 4.754 20 0 JJADMO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+]3C[C@H](C)C[C@@H]3c3cccnc3)cc2)cc1 ZINC001459999447 1067521148 /nfs/dbraw/zinc/52/11/48/1067521148.db2.gz ZEMISGQYIYAGCT-KBMIEXCESA-N 1 1 458.562 4.754 20 0 JJADMO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@H+]3C[C@H](C)C[C@@H]3c3cccnc3)cc2)cc1 ZINC001459999447 1067521155 /nfs/dbraw/zinc/52/11/55/1067521155.db2.gz ZEMISGQYIYAGCT-KBMIEXCESA-N 1 1 458.562 4.754 20 0 JJADMO CC(C)(C)OC(=O)C1(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C(C)(C)C1(C)C ZINC001546113177 1067522072 /nfs/dbraw/zinc/52/20/72/1067522072.db2.gz RHTMCHZALKUYEF-BHIFYINESA-N 1 1 454.655 4.797 20 0 JJADMO CCOc1ccccc1CN1CC[N@@H+](C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC001460004038 1067523122 /nfs/dbraw/zinc/52/31/22/1067523122.db2.gz JQYSXKBEQQOBDJ-VABKMULXSA-N 1 1 459.675 4.923 20 0 JJADMO COc1ccc(CC(=O)NC[C@H](c2ccc(Cl)cc2)[N@H+](C)CCC(F)(F)F)cc1OC ZINC001460014519 1067527830 /nfs/dbraw/zinc/52/78/30/1067527830.db2.gz LTMVHHXPGSADGW-GOSISDBHSA-N 1 1 458.908 4.641 20 0 JJADMO COc1ccc(CC(=O)NC[C@H](c2ccc(Cl)cc2)[N@@H+](C)CCC(F)(F)F)cc1OC ZINC001460014519 1067527836 /nfs/dbraw/zinc/52/78/36/1067527836.db2.gz LTMVHHXPGSADGW-GOSISDBHSA-N 1 1 458.908 4.641 20 0 JJADMO CC(C)c1ccc(CN(C(=O)C[N@H+]2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)C2CC2)cc1 ZINC001460014508 1067527935 /nfs/dbraw/zinc/52/79/35/1067527935.db2.gz FZSVYSWASCKDED-NRFANRHFSA-N 1 1 457.659 4.928 20 0 JJADMO CC(C)(C)c1ccc(CCNC(=O)C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC001460015440 1067528238 /nfs/dbraw/zinc/52/82/38/1067528238.db2.gz HVIXJBSQNWDBPB-FQEVSTJZSA-N 1 1 456.936 4.638 20 0 JJADMO COc1c(F)ccc(F)c1C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC001460015250 1067528329 /nfs/dbraw/zinc/52/83/29/1067528329.db2.gz PRVGHFZTUGXQHU-INIZCTEOSA-N 1 1 450.835 4.982 20 0 JJADMO COc1c(F)ccc(F)c1C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC001460015250 1067528339 /nfs/dbraw/zinc/52/83/39/1067528339.db2.gz PRVGHFZTUGXQHU-INIZCTEOSA-N 1 1 450.835 4.982 20 0 JJADMO C[N@H+](CCC(F)(F)F)[C@@H](CNC(=O)c1ccc(OCC2CC2)nc1)c1ccc(Cl)cc1 ZINC001460018096 1067529836 /nfs/dbraw/zinc/52/98/36/1067529836.db2.gz ZFACPMSMGJDDGD-IBGZPJMESA-N 1 1 455.908 4.879 20 0 JJADMO C[N@@H+](CCC(F)(F)F)[C@@H](CNC(=O)c1ccc(OCC2CC2)nc1)c1ccc(Cl)cc1 ZINC001460018096 1067529845 /nfs/dbraw/zinc/52/98/45/1067529845.db2.gz ZFACPMSMGJDDGD-IBGZPJMESA-N 1 1 455.908 4.879 20 0 JJADMO C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)c1nc(C(F)(F)F)cs1 ZINC001460021942 1067531433 /nfs/dbraw/zinc/53/14/33/1067531433.db2.gz XMUHHUCJRVPRQX-WPRPVWTQSA-N 1 1 459.715 4.668 20 0 JJADMO COc1ccc([C@@H]2CCCCCN2C(=O)C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC001460033690 1067535359 /nfs/dbraw/zinc/53/53/59/1067535359.db2.gz YSVDNHVQVKKZPH-VWLOTQADSA-N 1 1 452.570 4.873 20 0 JJADMO O=C(C[N@@H+]1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1)NCCCN1CCCCCC1=O ZINC001460052142 1067539646 /nfs/dbraw/zinc/53/96/46/1067539646.db2.gz KQDRNBFQXAFIJA-OAQYLSRUSA-N 1 1 453.549 4.531 20 0 JJADMO Cc1ccc(CN2CC[C@H](C[N@@H+](C)CC3CCN(C(=O)OCc4ccccc4)CC3)C2)s1 ZINC001460065930 1067544213 /nfs/dbraw/zinc/54/42/13/1067544213.db2.gz AKDXVZXMHVEPJI-XMMPIXPASA-N 1 1 455.668 4.859 20 0 JJADMO Cc1ccc(CN2CC[C@H](C[N@H+](C)CC3CCN(C(=O)OCc4ccccc4)CC3)C2)s1 ZINC001460065930 1067544223 /nfs/dbraw/zinc/54/42/23/1067544223.db2.gz AKDXVZXMHVEPJI-XMMPIXPASA-N 1 1 455.668 4.859 20 0 JJADMO COC(=O)c1ccc(Br)c(C[N@@H+]2CCCC[C@H]2CCNC(=O)OC(C)(C)C)c1 ZINC001460073851 1067546879 /nfs/dbraw/zinc/54/68/79/1067546879.db2.gz SSDCGRKUGKORTJ-KRWDZBQOSA-N 1 1 455.393 4.505 20 0 JJADMO COC(=O)c1ccc(Br)c(C[N@H+]2CCCC[C@H]2CCNC(=O)OC(C)(C)C)c1 ZINC001460073851 1067546886 /nfs/dbraw/zinc/54/68/86/1067546886.db2.gz SSDCGRKUGKORTJ-KRWDZBQOSA-N 1 1 455.393 4.505 20 0 JJADMO C[C@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)C[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001460073781 1067546934 /nfs/dbraw/zinc/54/69/34/1067546934.db2.gz SYALRJSEMJCGLF-FHJLPGHOSA-N 1 1 456.549 4.984 20 0 JJADMO CC1CCN(C(=O)OC[C@H]2CCCC[N@H+]2CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC001460076145 1067547682 /nfs/dbraw/zinc/54/76/82/1067547682.db2.gz SDORRIUSBWVRKU-GOSISDBHSA-N 1 1 455.521 4.757 20 0 JJADMO CC(C)Oc1ccc2ccccc2c1C[N@H+]1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001460078546 1067548491 /nfs/dbraw/zinc/54/84/91/1067548491.db2.gz ZBMGQCQOBVEZGR-JOCHJYFZSA-N 1 1 453.627 4.754 20 0 JJADMO CC(C)Oc1ccc2ccccc2c1C[N@H+]1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001460078547 1067548555 /nfs/dbraw/zinc/54/85/55/1067548555.db2.gz ZBMGQCQOBVEZGR-QFIPXVFZSA-N 1 1 453.627 4.754 20 0 JJADMO O=C(C[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001460084100 1067549765 /nfs/dbraw/zinc/54/97/65/1067549765.db2.gz LLSREYAYUMAHDC-QGZVFWFLSA-N 1 1 454.354 4.908 20 0 JJADMO CCc1ccc(N2CC[NH+](C[C@@](C)(O)c3ccc(Br)cc3F)CC2)cc1Cl ZINC001460090096 1067551659 /nfs/dbraw/zinc/55/16/59/1067551659.db2.gz OJADHJRYFUOMJZ-OAQYLSRUSA-N 1 1 455.799 4.834 20 0 JJADMO C[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1ccc(I)c(Cl)c1 ZINC001460090053 1067551871 /nfs/dbraw/zinc/55/18/71/1067551871.db2.gz ODPKMHDIQNYFMW-UHFFFAOYSA-N 1 1 453.711 4.669 20 0 JJADMO CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC001460090533 1067552157 /nfs/dbraw/zinc/55/21/57/1067552157.db2.gz UAZVPLNGCPFIOV-UHFFFAOYSA-N 1 1 454.436 4.607 20 0 JJADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CCc2ccc(Br)cc2C1 ZINC001460093759 1067552680 /nfs/dbraw/zinc/55/26/80/1067552680.db2.gz MELZNWILVUVTDE-UHFFFAOYSA-N 1 1 453.384 4.639 20 0 JJADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CCc2ccc(Br)cc2C1 ZINC001460093759 1067552691 /nfs/dbraw/zinc/55/26/91/1067552691.db2.gz MELZNWILVUVTDE-UHFFFAOYSA-N 1 1 453.384 4.639 20 0 JJADMO CC[C@H](OC1CCCCC1)C(=O)Nc1cc(Br)ccc1N1CC[N@@H+](C)C[C@@H]1C ZINC001460094335 1067553014 /nfs/dbraw/zinc/55/30/14/1067553014.db2.gz QMHIIOOPIPGDPX-KKSFZXQISA-N 1 1 452.437 4.656 20 0 JJADMO CCOc1cccc(/C=C/C(=O)Nc2cc(Br)ccc2N2CC[N@@H+](C)C[C@@H]2C)c1 ZINC001460096398 1067553922 /nfs/dbraw/zinc/55/39/22/1067553922.db2.gz RJZGCVLLGOCEEI-YRYLYKBFSA-N 1 1 458.400 4.640 20 0 JJADMO Cc1sc2nc(C[NH+]3CCC([C@@H]4N(C(=O)OC(C)(C)C)CC4(C)C)CC3)nc(N)c2c1C ZINC001460103007 1067555426 /nfs/dbraw/zinc/55/54/26/1067555426.db2.gz BOLNRACBENUGSI-IBGZPJMESA-N 1 1 459.660 4.748 20 0 JJADMO CCOc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)cc1 ZINC001460104968 1067556301 /nfs/dbraw/zinc/55/63/01/1067556301.db2.gz JPKZWAJZGFERIM-AVRDEDQJSA-N 1 1 459.631 4.770 20 0 JJADMO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460110537 1067556973 /nfs/dbraw/zinc/55/69/73/1067556973.db2.gz PLWRPNAPQJRLTD-GBESFXJTSA-N 1 1 450.023 4.944 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCC[N@@H+](CC(=O)Nc3cccc(C(F)(F)F)c3)C2)C1 ZINC001460110522 1067557096 /nfs/dbraw/zinc/55/70/96/1067557096.db2.gz PKKGVOUUVRHCSJ-SJORKVTESA-N 1 1 455.521 4.613 20 0 JJADMO CCc1cc2c(C[N@H+]3CCC[C@@H]([C@H]4CCN(C(=O)OC(C)(C)C)C4)C3)cc(=O)oc2cc1O ZINC001460113814 1067558036 /nfs/dbraw/zinc/55/80/36/1067558036.db2.gz YXNNLOKBAJUCLC-MOPGFXCFSA-N 1 1 456.583 4.530 20 0 JJADMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3cccc4c(Br)ccnc34)cc2)C[C@H](C)O1 ZINC001460114115 1067558069 /nfs/dbraw/zinc/55/80/69/1067558069.db2.gz GSFDCRNRASQDHU-HOTGVXAUSA-N 1 1 454.368 4.859 20 0 JJADMO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([N@H+](C)C[C@@H]2OCCc3ccccc32)C1=O ZINC001460125184 1067560005 /nfs/dbraw/zinc/56/00/05/1067560005.db2.gz FMZYYFUMLPJWPM-YADHBBJMSA-N 1 1 457.412 4.807 20 0 JJADMO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([N@@H+](C)C[C@@H]2OCCc3ccccc32)C1=O ZINC001460125184 1067560012 /nfs/dbraw/zinc/56/00/12/1067560012.db2.gz FMZYYFUMLPJWPM-YADHBBJMSA-N 1 1 457.412 4.807 20 0 JJADMO C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[NH+]1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC001460125323 1067560081 /nfs/dbraw/zinc/56/00/81/1067560081.db2.gz LPPHRBKNNHYQGO-SFHVURJKSA-N 1 1 457.977 4.841 20 0 JJADMO COc1cc(NC(=O)CC[N@@H+](C)[C@H](C)c2nc3cc(Cl)ccc3[nH]2)c(OC)cc1Cl ZINC001460127316 1067560503 /nfs/dbraw/zinc/56/05/03/1067560503.db2.gz QVZXYPDTJIEONO-GFCCVEGCSA-N 1 1 451.354 4.909 20 0 JJADMO COc1cc(NC(=O)CC[N@H+](C)[C@H](C)c2nc3ccc(Cl)cc3[nH]2)c(OC)cc1Cl ZINC001460127316 1067560512 /nfs/dbraw/zinc/56/05/12/1067560512.db2.gz QVZXYPDTJIEONO-GFCCVEGCSA-N 1 1 451.354 4.909 20 0 JJADMO COc1cc(NC(=O)CC[N@@H+](C)[C@H](C)c2nc3ccc(Cl)cc3[nH]2)c(OC)cc1Cl ZINC001460127316 1067560515 /nfs/dbraw/zinc/56/05/15/1067560515.db2.gz QVZXYPDTJIEONO-GFCCVEGCSA-N 1 1 451.354 4.909 20 0 JJADMO Fc1cccc(N2CCC[N@H+](Cc3cc4c(cc3Br)OCCCO4)CC2)c1F ZINC001460131016 1067561231 /nfs/dbraw/zinc/56/12/31/1067561231.db2.gz SSKLQGUFIZBMSI-UHFFFAOYSA-N 1 1 453.327 4.601 20 0 JJADMO Fc1cccc(N2CCC[N@@H+](Cc3cc4c(cc3Br)OCCCO4)CC2)c1F ZINC001460131016 1067561236 /nfs/dbraw/zinc/56/12/36/1067561236.db2.gz SSKLQGUFIZBMSI-UHFFFAOYSA-N 1 1 453.327 4.601 20 0 JJADMO CN(C(=O)C[N@@H+]1CCC[C@H]1COc1ccccc1)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC001460169757 1067569222 /nfs/dbraw/zinc/56/92/22/1067569222.db2.gz CZUOGYPQLAEJPX-RXFWQSSRSA-N 1 1 454.998 4.680 20 0 JJADMO CN(C(=O)C[N@H+]1CCC[C@H]1COc1ccccc1)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC001460169757 1067569230 /nfs/dbraw/zinc/56/92/30/1067569230.db2.gz CZUOGYPQLAEJPX-RXFWQSSRSA-N 1 1 454.998 4.680 20 0 JJADMO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001460172251 1067569656 /nfs/dbraw/zinc/56/96/56/1067569656.db2.gz PMTDIVCHCFWFQQ-IBGZPJMESA-N 1 1 456.428 4.764 20 0 JJADMO CC(C)C[C@H]1CN(Cc2ccc(Cl)cc2)CC[N@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC001460172942 1067570099 /nfs/dbraw/zinc/57/00/99/1067570099.db2.gz UMZAZPMNWSNNBZ-MHZLTWQESA-N 1 1 456.074 4.905 20 0 JJADMO Cc1nc(NC(=O)C[N@H+](C[C@@H](C)c2ccccc2)[C@@H](C)CO)sc1Cc1ccc(C)cc1 ZINC001460173903 1067570626 /nfs/dbraw/zinc/57/06/26/1067570626.db2.gz USYAOYGAWDTPJI-UXHICEINSA-N 1 1 451.636 4.776 20 0 JJADMO O[C@H](C[N@H+](CCc1ccc(Cl)cc1)Cc1cc2c(cc1Cl)OCCO2)C(F)(F)F ZINC001460176728 1067571515 /nfs/dbraw/zinc/57/15/15/1067571515.db2.gz RQNVYCJSTARTQG-LJQANCHMSA-N 1 1 450.284 4.733 20 0 JJADMO O[C@H](C[N@@H+](CCc1ccc(Cl)cc1)Cc1cc2c(cc1Cl)OCCO2)C(F)(F)F ZINC001460176728 1067571523 /nfs/dbraw/zinc/57/15/23/1067571523.db2.gz RQNVYCJSTARTQG-LJQANCHMSA-N 1 1 450.284 4.733 20 0 JJADMO O=C(C[N@@H+]1CC[C@@H](n2cccn2)C1)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC001460180595 1067572736 /nfs/dbraw/zinc/57/27/36/1067572736.db2.gz PCNORAGANLQACV-GOSISDBHSA-N 1 1 457.397 4.682 20 0 JJADMO O=C(C[N@H+]1CC[C@@H](n2cccn2)C1)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC001460180595 1067572745 /nfs/dbraw/zinc/57/27/45/1067572745.db2.gz PCNORAGANLQACV-GOSISDBHSA-N 1 1 457.397 4.682 20 0 JJADMO C[N@@H+](C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001460192933 1067576169 /nfs/dbraw/zinc/57/61/69/1067576169.db2.gz AXKVHWRMFBXXDH-ZRBLBEILSA-N 1 1 458.643 4.971 20 0 JJADMO CC(C)(C)OC(=O)N[C@H]1CCCO[C@H]1C1CC[NH+](Cc2csc(Br)c2)CC1 ZINC001460200603 1067577910 /nfs/dbraw/zinc/57/79/10/1067577910.db2.gz ZGTVRVZQQLZAMW-WMZOPIPTSA-N 1 1 459.450 4.795 20 0 JJADMO Cc1ccc(F)cc1NC(=O)CC[N@H+]1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460208197 1067579543 /nfs/dbraw/zinc/57/95/43/1067579543.db2.gz OMYYROIIAKDWHM-JTHBVZDNSA-N 1 1 473.564 4.985 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC001460215876 1067581329 /nfs/dbraw/zinc/58/13/29/1067581329.db2.gz RKOGKNGTNCMZNI-OXQOHEQNSA-N 1 1 453.986 4.919 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCC[N@H+]2CCC(=O)N2CCCc3ccccc32)C1 ZINC001460215902 1067581418 /nfs/dbraw/zinc/58/14/18/1067581418.db2.gz RRBBFYSWWNKIAT-GOTSBHOMSA-N 1 1 455.643 4.858 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCC[N@H+]2CCC(=O)N2CCCc3ccccc32)C1 ZINC001460215914 1067581472 /nfs/dbraw/zinc/58/14/72/1067581472.db2.gz RRBBFYSWWNKIAT-XZOQPEGZSA-N 1 1 455.643 4.858 20 0 JJADMO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1ccccc1C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001460230678 1067585000 /nfs/dbraw/zinc/58/50/00/1067585000.db2.gz XETPESCFGBJHLA-BQLVWXCYSA-N 1 1 458.668 4.559 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccccc2C(F)(F)F)C[C@H]1c1cccc(F)c1 ZINC001460236212 1067586932 /nfs/dbraw/zinc/58/69/32/1067586932.db2.gz VWIOXHODTCWIMS-TYPHKJRUSA-N 1 1 468.491 4.871 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2C(F)(F)F)C[C@H]1c1cccc(F)c1 ZINC001460236212 1067586940 /nfs/dbraw/zinc/58/69/40/1067586940.db2.gz VWIOXHODTCWIMS-TYPHKJRUSA-N 1 1 468.491 4.871 20 0 JJADMO C[C@H](NC(=O)[C@H](C)[N@H+](C)C[C@H](O)c1cccc(Br)c1)c1ccc2ccccc2c1 ZINC001460238520 1067588219 /nfs/dbraw/zinc/58/82/19/1067588219.db2.gz QLGPIEKMKVVADJ-QQMNAOGKSA-N 1 1 455.396 4.833 20 0 JJADMO C[C@H](NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)c1cccc(Br)c1)c1ccc2ccccc2c1 ZINC001460238520 1067588227 /nfs/dbraw/zinc/58/82/27/1067588227.db2.gz QLGPIEKMKVVADJ-QQMNAOGKSA-N 1 1 455.396 4.833 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCC23CCC3)CCC1 ZINC001460256268 1067592244 /nfs/dbraw/zinc/59/22/44/1067592244.db2.gz OBWFLKASSIGISM-JOCHJYFZSA-N 1 1 455.643 4.585 20 0 JJADMO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC001460259801 1067592957 /nfs/dbraw/zinc/59/29/57/1067592957.db2.gz VXIHCUFFEHRMOW-LJQANCHMSA-N 1 1 458.624 4.632 20 0 JJADMO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[N@H+]1CCC[C@@H](CCO)CC1 ZINC001460259801 1067592961 /nfs/dbraw/zinc/59/29/61/1067592961.db2.gz VXIHCUFFEHRMOW-LJQANCHMSA-N 1 1 458.624 4.632 20 0 JJADMO C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001460269809 1067594363 /nfs/dbraw/zinc/59/43/63/1067594363.db2.gz HBQPFRUQHKDEFF-FKCCAMBISA-N 1 1 457.659 4.905 20 0 JJADMO CCN(CC)S(=O)(=O)c1ccc2[nH]c(C[N@H+](Cc3ccc(C)cc3C)CC(C)C)nc2c1 ZINC001460278141 1067596137 /nfs/dbraw/zinc/59/61/37/1067596137.db2.gz MOZIOHZAAYJAON-UHFFFAOYSA-N 1 1 456.656 4.868 20 0 JJADMO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001460279494 1067597010 /nfs/dbraw/zinc/59/70/10/1067597010.db2.gz OAOXIGDIHZOIQL-CEQIKUNHSA-N 1 1 451.920 4.892 20 0 JJADMO COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)C[C@H]1c1ccc(F)cc1F ZINC001460279897 1067597178 /nfs/dbraw/zinc/59/71/78/1067597178.db2.gz VGNZVJMPVVLYND-HPCCJCSGSA-N 1 1 466.528 4.572 20 0 JJADMO COC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)C[C@H]1c1ccc(F)cc1F ZINC001460279897 1067597187 /nfs/dbraw/zinc/59/71/87/1067597187.db2.gz VGNZVJMPVVLYND-HPCCJCSGSA-N 1 1 466.528 4.572 20 0 JJADMO CCC1(CC)CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCC[C@H](C)C2)CCS1 ZINC001546115262 1067598621 /nfs/dbraw/zinc/59/86/21/1067598621.db2.gz YGRZVYGZUKBYEA-KRWDZBQOSA-N 1 1 495.535 4.880 20 0 JJADMO CC(C)(C)OC(=O)N1CCc2c(C[N@H+]3CCC[C@H](O)[C@@H]3CCc3ccccc3)cccc2C1 ZINC001460295332 1067600813 /nfs/dbraw/zinc/60/08/13/1067600813.db2.gz KNFXNIHHKJOEBJ-UIOOFZCWSA-N 1 1 450.623 4.938 20 0 JJADMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCCCCn2nnc(-c3ccccc3)n2)C[C@H]1c1ccccc1 ZINC001460300669 1067601737 /nfs/dbraw/zinc/60/17/37/1067601737.db2.gz HJXCNSFXXYKFAM-BJKOFHAPSA-N 1 1 461.610 4.568 20 0 JJADMO CC(C)(C)OC(=O)N1CCC([N@H+](Cc2ccccn2)C[C@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC001460305121 1067603240 /nfs/dbraw/zinc/60/32/40/1067603240.db2.gz NJGXNUUYBBOVFO-UXHICEINSA-N 1 1 457.537 4.783 20 0 JJADMO C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)[N@@H+](Cc2cccc(C(=O)NCc3ccco3)c2)[C@H]1C ZINC001460308083 1067604223 /nfs/dbraw/zinc/60/42/23/1067604223.db2.gz MQCQTKHJUDWUEI-XQBPLPMBSA-N 1 1 455.599 4.723 20 0 JJADMO COC(=O)[C@@H]1C[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C[C@H]1c1ccc(Cl)cc1 ZINC001460311615 1067605071 /nfs/dbraw/zinc/60/50/71/1067605071.db2.gz AAFQEVHUMYTVTH-ARNLJNQMSA-N 1 1 454.998 4.576 20 0 JJADMO COC(=O)[C@@H]1C[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C[C@H]1c1ccc(Cl)cc1 ZINC001460311615 1067605074 /nfs/dbraw/zinc/60/50/74/1067605074.db2.gz AAFQEVHUMYTVTH-ARNLJNQMSA-N 1 1 454.998 4.576 20 0 JJADMO CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](Cc1nnc(-c3c(Cl)cccc3Cl)o1)CC2 ZINC001460314098 1067605462 /nfs/dbraw/zinc/60/54/62/1067605462.db2.gz IGLVCFUNGRAZNQ-UHFFFAOYSA-N 1 1 453.370 4.876 20 0 JJADMO CCc1csc(CC2CC[NH+]([C@H]3CCN(c4cccc(OC(F)(F)F)c4)C3=O)CC2)n1 ZINC001460316001 1067605864 /nfs/dbraw/zinc/60/58/64/1067605864.db2.gz NRTJFCIPNLMYPL-IBGZPJMESA-N 1 1 453.530 4.664 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCOc2ccc(F)c(Cl)c2)C1 ZINC001460317543 1067606413 /nfs/dbraw/zinc/60/64/13/1067606413.db2.gz LQGMPGSYHFWYAO-MAODMQOUSA-N 1 1 456.986 4.785 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ncc(-c3ccccc3F)o2)C1 ZINC001460317706 1067606467 /nfs/dbraw/zinc/60/64/67/1067606467.db2.gz NHJCNDYEJYOWPG-JRGCBEDISA-N 1 1 459.562 4.908 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ncc(-c3ccccc3F)o2)C1 ZINC001460317706 1067606470 /nfs/dbraw/zinc/60/64/70/1067606470.db2.gz NHJCNDYEJYOWPG-JRGCBEDISA-N 1 1 459.562 4.908 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC001460318556 1067606791 /nfs/dbraw/zinc/60/67/91/1067606791.db2.gz RMYAQTVBQAPBBI-MISYRCLQSA-N 1 1 458.521 4.838 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC001460318556 1067606795 /nfs/dbraw/zinc/60/67/95/1067606795.db2.gz RMYAQTVBQAPBBI-MISYRCLQSA-N 1 1 458.521 4.838 20 0 JJADMO CC(=O)N(c1nc(C[NH2+][C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)cs1)c1ccc(C)cc1 ZINC001460325061 1067608523 /nfs/dbraw/zinc/60/85/23/1067608523.db2.gz GHOSOULUBYUWME-WOJBJXKFSA-N 1 1 458.628 4.918 20 0 JJADMO Cc1ccc(Br)nc1C(=O)N1CC[N@H+](CCCc2ccccc2)C[C@@H]1CC(C)C ZINC001460325331 1067608563 /nfs/dbraw/zinc/60/85/63/1067608563.db2.gz MUORHXYJAAQOIN-NRFANRHFSA-N 1 1 458.444 4.958 20 0 JJADMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC001460341861 1067612583 /nfs/dbraw/zinc/61/25/83/1067612583.db2.gz IESJFFBPTFYUSZ-NZQKXSOJSA-N 1 1 451.611 4.660 20 0 JJADMO CC[C@H](C)Oc1cc(C(=O)N(Cc2ccncc2)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC001460346069 1067613346 /nfs/dbraw/zinc/61/33/46/1067613346.db2.gz HYJCFXRKXNEHLC-NVQXNPDNSA-N 1 1 458.606 4.961 20 0 JJADMO CCN(CCOC)c1cccc(C[NH+]2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)n1 ZINC001460357465 1067616774 /nfs/dbraw/zinc/61/67/74/1067616774.db2.gz MJURRNUKHOSPFX-UHFFFAOYSA-N 1 1 457.833 4.837 20 0 JJADMO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)[C@@H]2CCCC[C@@H]12 ZINC001460360376 1067618345 /nfs/dbraw/zinc/61/83/45/1067618345.db2.gz ICRKKNLRRPEQHQ-QKNQBKEWSA-N 1 1 455.624 4.728 20 0 JJADMO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)[C@@H]2CCCC[C@@H]12 ZINC001460360376 1067618346 /nfs/dbraw/zinc/61/83/46/1067618346.db2.gz ICRKKNLRRPEQHQ-QKNQBKEWSA-N 1 1 455.624 4.728 20 0 JJADMO C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCC[N@H+]1CC(=O)NCCCOC1CCCCC1 ZINC001460367457 1067619494 /nfs/dbraw/zinc/61/94/94/1067619494.db2.gz BELKRTZEWIPPOC-QHCPKHFHSA-N 1 1 456.549 4.838 20 0 JJADMO COc1ccc([C@@H]([NH2+]CC(=O)NCCOc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC001460406425 1067628760 /nfs/dbraw/zinc/62/87/60/1067628760.db2.gz ULLZYSLSCAGBGS-DEOSSOPVSA-N 1 1 458.480 4.588 20 0 JJADMO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c1C ZINC001460411253 1067629828 /nfs/dbraw/zinc/62/98/28/1067629828.db2.gz QRAKKLSQHKXAGQ-NQIIRXRSSA-N 1 1 459.631 4.764 20 0 JJADMO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c1C ZINC001460411253 1067629829 /nfs/dbraw/zinc/62/98/29/1067629829.db2.gz QRAKKLSQHKXAGQ-NQIIRXRSSA-N 1 1 459.631 4.764 20 0 JJADMO C[C@]12CC[N@@H+](CCc3nc(-c4ccc(Cl)cc4)no3)C[C@H]1C2(Br)Br ZINC001460413342 1067630822 /nfs/dbraw/zinc/63/08/22/1067630822.db2.gz AMDGBXFPZRBWLR-CJNGLKHVSA-N 1 1 475.612 4.760 20 0 JJADMO CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)cc1 ZINC001460415972 1067631342 /nfs/dbraw/zinc/63/13/42/1067631342.db2.gz LDUWPXUMBBQSIH-QAPCUYQASA-N 1 1 459.222 4.970 20 0 JJADMO CC(C)(C)OC(=O)c1ccc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)cc1 ZINC001460415972 1067631346 /nfs/dbraw/zinc/63/13/46/1067631346.db2.gz LDUWPXUMBBQSIH-QAPCUYQASA-N 1 1 459.222 4.970 20 0 JJADMO CCOC(=O)c1cc(C)sc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C ZINC001460462480 1067638556 /nfs/dbraw/zinc/63/85/56/1067638556.db2.gz YZXQGCWKGUCYOU-VQIMIIECSA-N 1 1 481.659 4.577 20 0 JJADMO CCOC(=O)c1cc(C)sc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C ZINC001460462480 1067638559 /nfs/dbraw/zinc/63/85/59/1067638559.db2.gz YZXQGCWKGUCYOU-VQIMIIECSA-N 1 1 481.659 4.577 20 0 JJADMO CC(C)(C)[N@@H+](CC(=O)NCc1ccc(OC(F)F)cc1)Cc1ccc(Br)cc1 ZINC001460479896 1067642352 /nfs/dbraw/zinc/64/23/52/1067642352.db2.gz FGXWDNZEEPVJNW-UHFFFAOYSA-N 1 1 455.343 4.967 20 0 JJADMO CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1C[N@H+](CC(=O)Nc1cccc(Oc3ccccc3)c1)C2 ZINC001460516714 1067647485 /nfs/dbraw/zinc/64/74/85/1067647485.db2.gz LHRRDMZSPDAZHC-AFMDSPMNSA-N 1 1 451.567 4.797 20 0 JJADMO CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1C[N@@H+](CC(=O)Nc1cccc(Oc3ccccc3)c1)C2 ZINC001460516714 1067647490 /nfs/dbraw/zinc/64/74/90/1067647490.db2.gz LHRRDMZSPDAZHC-AFMDSPMNSA-N 1 1 451.567 4.797 20 0 JJADMO COc1ccc(F)cc1-c1cncc(C[N@H+]2C[C@@]3(C)CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)c1 ZINC001460558914 1067655802 /nfs/dbraw/zinc/65/58/02/1067655802.db2.gz OBJODRVJVQKKNE-WMPKNSHKSA-N 1 1 455.574 4.975 20 0 JJADMO CC(C)N(C)c1ccc(NC(=O)CC[N@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1F ZINC001460563055 1067656431 /nfs/dbraw/zinc/65/64/31/1067656431.db2.gz QXDPUOSJJCFPHU-QFIPXVFZSA-N 1 1 454.590 4.815 20 0 JJADMO Cc1ccc(-c2noc(CCC[N@H+]3CC[C@@H](O)[C@H]3c3ccc(Br)cc3)n2)cc1F ZINC001460578149 1067659576 /nfs/dbraw/zinc/65/95/76/1067659576.db2.gz YKVOGSQEKZCKFG-TZIWHRDSSA-N 1 1 460.347 4.687 20 0 JJADMO C[NH+](C)C[C@@H](NC[C@H](O)COc1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC001460599039 1067666344 /nfs/dbraw/zinc/66/63/44/1067666344.db2.gz WTQULFHYPMIUHB-HNAYVOBHSA-N 1 1 452.209 4.932 20 0 JJADMO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCC[C@@]2(C)Cc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC001460645045 1067684692 /nfs/dbraw/zinc/68/46/92/1067684692.db2.gz NDVCSMBCQXYURQ-QFIPXVFZSA-N 1 1 451.464 4.839 20 0 JJADMO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC001460651659 1067687342 /nfs/dbraw/zinc/68/73/42/1067687342.db2.gz JJVXVSWHKWAPRQ-ZWKOTPCHSA-N 1 1 458.649 4.832 20 0 JJADMO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC001460651659 1067687349 /nfs/dbraw/zinc/68/73/49/1067687349.db2.gz JJVXVSWHKWAPRQ-ZWKOTPCHSA-N 1 1 458.649 4.832 20 0 JJADMO C[C@]1(Cc2ccc(F)c(F)c2)CCC[N@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC001460655991 1067689944 /nfs/dbraw/zinc/68/99/44/1067689944.db2.gz VHVCGPNNHGWXFW-LAUBAEHRSA-N 1 1 458.318 4.703 20 0 JJADMO COc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2Cc2cccc(Oc3ccccc3)c2)c1 ZINC001460660030 1067691499 /nfs/dbraw/zinc/69/14/99/1067691499.db2.gz MOQDPUGJTIXRDO-JOCHJYFZSA-N 1 1 451.588 4.968 20 0 JJADMO COc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2Cc2cccc(Oc3ccccc3)c2)c1 ZINC001460660030 1067691503 /nfs/dbraw/zinc/69/15/03/1067691503.db2.gz MOQDPUGJTIXRDO-JOCHJYFZSA-N 1 1 451.588 4.968 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC001460664408 1067693082 /nfs/dbraw/zinc/69/30/82/1067693082.db2.gz IJVODHIMIXNREA-LPHOPBHVSA-N 1 1 455.521 4.755 20 0 JJADMO C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001460670264 1067694626 /nfs/dbraw/zinc/69/46/26/1067694626.db2.gz LSNZAUSTCJDOSZ-QUCCMNQESA-N 1 1 455.624 4.755 20 0 JJADMO C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001460670264 1067694629 /nfs/dbraw/zinc/69/46/29/1067694629.db2.gz LSNZAUSTCJDOSZ-QUCCMNQESA-N 1 1 455.624 4.755 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CC[N@@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001460673082 1067695932 /nfs/dbraw/zinc/69/59/32/1067695932.db2.gz AJPSKHHXTDNRES-VWLOTQADSA-N 1 1 453.668 4.896 20 0 JJADMO COc1ncc(Br)cc1C[N@@H+]1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001460673024 1067695949 /nfs/dbraw/zinc/69/59/49/1067695949.db2.gz ADMDRXBSSXASPM-OAQYLSRUSA-N 1 1 456.425 4.616 20 0 JJADMO COc1ncc(Br)cc1C[N@H+]1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001460673024 1067695951 /nfs/dbraw/zinc/69/59/51/1067695951.db2.gz ADMDRXBSSXASPM-OAQYLSRUSA-N 1 1 456.425 4.616 20 0 JJADMO CCn1nc(C(F)(F)F)c(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1C(F)F ZINC001460680010 1067699121 /nfs/dbraw/zinc/69/91/21/1067699121.db2.gz ITFWYYNVSHPARH-MRXNPFEDSA-N 1 1 458.475 4.892 20 0 JJADMO CO[C@@H](C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)s1 ZINC001460682609 1067700338 /nfs/dbraw/zinc/70/03/38/1067700338.db2.gz YMPVSUFVGKHTPM-YLJYHZDGSA-N 1 1 451.430 4.617 20 0 JJADMO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCCSC[C@H]2c2ccccc2)c(C(F)(F)F)c1 ZINC001460704872 1067705273 /nfs/dbraw/zinc/70/52/73/1067705273.db2.gz GFVDJQRLHFWWTA-FQEVSTJZSA-N 1 1 451.514 4.783 20 0 JJADMO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCCSC[C@H]2c2ccccc2)c(C(F)(F)F)c1 ZINC001460704872 1067705279 /nfs/dbraw/zinc/70/52/79/1067705279.db2.gz GFVDJQRLHFWWTA-FQEVSTJZSA-N 1 1 451.514 4.783 20 0 JJADMO CN(CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001460719282 1067708714 /nfs/dbraw/zinc/70/87/14/1067708714.db2.gz NHUNZDUVNNVAGI-QFIPXVFZSA-N 1 1 452.599 4.874 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001460726685 1067710803 /nfs/dbraw/zinc/71/08/03/1067710803.db2.gz QZHCATZKJDIHIO-ZBLYBZFDSA-N 1 1 452.595 4.866 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001460726685 1067710806 /nfs/dbraw/zinc/71/08/06/1067710806.db2.gz QZHCATZKJDIHIO-ZBLYBZFDSA-N 1 1 452.595 4.866 20 0 JJADMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN[C@H](C)c2cc(Cl)cc(Cl)c2F)CC1 ZINC001460750284 1067715503 /nfs/dbraw/zinc/71/55/03/1067715503.db2.gz WJVWAUZCAZGDPM-QGZVFWFLSA-N 1 1 452.401 4.826 20 0 JJADMO COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C[N@@H+](Cc1nc3c(s1)C(C)(C)CC(C)(C)C3)C2 ZINC001460775751 1067721076 /nfs/dbraw/zinc/72/10/76/1067721076.db2.gz SYJREAYQOLRQNH-KRXBEKAOSA-N 1 1 491.698 4.671 20 0 JJADMO Cc1cc(Cl)c(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1Br ZINC001460780649 1067722570 /nfs/dbraw/zinc/72/25/70/1067722570.db2.gz DZICGSISHGPRER-HOTGVXAUSA-N 1 1 453.812 4.597 20 0 JJADMO CN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC001460794104 1067724437 /nfs/dbraw/zinc/72/44/37/1067724437.db2.gz OOGRILZZHKNAOM-SSKFGXFMSA-N 1 1 456.936 4.801 20 0 JJADMO CN(C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC001460794104 1067724445 /nfs/dbraw/zinc/72/44/45/1067724445.db2.gz OOGRILZZHKNAOM-SSKFGXFMSA-N 1 1 456.936 4.801 20 0 JJADMO COc1cc(C)ccc1Oc1ccccc1C[N@H+](C)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC001460804036 1067727526 /nfs/dbraw/zinc/72/75/26/1067727526.db2.gz YLTWUKCJNRWCSZ-UHFFFAOYSA-N 1 1 454.592 4.678 20 0 JJADMO COc1cc(C)ccc1Oc1ccccc1C[N@@H+](C)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC001460804036 1067727532 /nfs/dbraw/zinc/72/75/32/1067727532.db2.gz YLTWUKCJNRWCSZ-UHFFFAOYSA-N 1 1 454.592 4.678 20 0 JJADMO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001460822560 1067729450 /nfs/dbraw/zinc/72/94/50/1067729450.db2.gz VJHBNAGPAHNQKK-AOMKIAJQSA-N 1 1 455.521 4.898 20 0 JJADMO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001460822560 1067729464 /nfs/dbraw/zinc/72/94/64/1067729464.db2.gz VJHBNAGPAHNQKK-AOMKIAJQSA-N 1 1 455.521 4.898 20 0 JJADMO O=C(OCc1ccccc1)N1CCC2(CC[N@H+]2CCOc2ccccc2Br)CC1 ZINC001460835513 1067732004 /nfs/dbraw/zinc/73/20/04/1067732004.db2.gz VEAOZKHGZVHAOA-UHFFFAOYSA-N 1 1 459.384 4.705 20 0 JJADMO O=C(OCc1ccccc1)N1CCC2(CC[N@@H+]2CCOc2ccccc2Br)CC1 ZINC001460835513 1067732017 /nfs/dbraw/zinc/73/20/17/1067732017.db2.gz VEAOZKHGZVHAOA-UHFFFAOYSA-N 1 1 459.384 4.705 20 0 JJADMO O=C(OCc1ccccc1)N1CCC(C[NH+]2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)CC1 ZINC001460848189 1067734384 /nfs/dbraw/zinc/73/43/84/1067734384.db2.gz KFNHLPGQEJDPNN-UHFFFAOYSA-N 1 1 450.505 4.657 20 0 JJADMO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[N@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1 ZINC001460883947 1067742251 /nfs/dbraw/zinc/74/22/51/1067742251.db2.gz BKQIRKNWYXDPCA-XRXFAXGQSA-N 1 1 451.652 4.506 20 0 JJADMO C[C@@H]1CN(C(=O)COc2ccc3ccccc3c2Br)CC[N@@H+]1Cc1ccccc1 ZINC001460891883 1067744364 /nfs/dbraw/zinc/74/43/64/1067744364.db2.gz SOYZEVPSYNCCAK-GOSISDBHSA-N 1 1 453.380 4.714 20 0 JJADMO C[C@@H]1CN(C(=O)COc2ccc3ccccc3c2Br)CC[N@H+]1Cc1ccccc1 ZINC001460891883 1067744374 /nfs/dbraw/zinc/74/43/74/1067744374.db2.gz SOYZEVPSYNCCAK-GOSISDBHSA-N 1 1 453.380 4.714 20 0 JJADMO O=C(C[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC001460920736 1067748383 /nfs/dbraw/zinc/74/83/83/1067748383.db2.gz DPNORINQFDCSNS-RTBURBONSA-N 1 1 455.986 4.669 20 0 JJADMO COc1ccccc1N1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001460931565 1067750486 /nfs/dbraw/zinc/75/04/86/1067750486.db2.gz RPEULUUTLSYTIG-OAHLLOKOSA-N 1 1 455.908 4.907 20 0 JJADMO COc1ccccc1N1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001460931565 1067750489 /nfs/dbraw/zinc/75/04/89/1067750489.db2.gz RPEULUUTLSYTIG-OAHLLOKOSA-N 1 1 455.908 4.907 20 0 JJADMO CCN1CC[NH+](CC(C)(C)NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC001460972367 1067755008 /nfs/dbraw/zinc/75/50/08/1067755008.db2.gz SNKWABYPMYHPBB-UHFFFAOYSA-N 1 1 451.655 4.709 20 0 JJADMO CCN(C(=O)OC(C)(C)C)C1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC001460988156 1067758144 /nfs/dbraw/zinc/75/81/44/1067758144.db2.gz USXZBJOKMBNUQI-WOJBJXKFSA-N 1 1 457.659 4.853 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@]2(C1)C[N@@H+](CCCCOc1ccccc1C(F)(F)F)CCO2 ZINC001460991849 1067758830 /nfs/dbraw/zinc/75/88/30/1067758830.db2.gz OCSHIPKQLCBYTJ-JOCHJYFZSA-N 1 1 458.521 4.576 20 0 JJADMO CC[NH+](CC)[C@H](CNCc1cc(C)c(I)cc1C)Cc1ccccc1 ZINC001461029421 1067765193 /nfs/dbraw/zinc/76/51/93/1067765193.db2.gz GSJSSMNJPXENSE-NRFANRHFSA-N 1 1 450.408 4.951 20 0 JJADMO Fc1cc(Br)c(I)cc1C[NH2+][C@@H]1CCCc2occc21 ZINC001461037453 1067767249 /nfs/dbraw/zinc/76/72/49/1067767249.db2.gz SKNGHVFQTIXMDM-CQSZACIVSA-N 1 1 450.089 4.953 20 0 JJADMO CCC1(CC)CN(c2nnc(CSc3ccccc3OC)n2CC[N@@H+]2CC=CCC2)CCS1 ZINC001546121187 1067772852 /nfs/dbraw/zinc/77/28/52/1067772852.db2.gz OEADZIVANZXCGT-UHFFFAOYSA-N 1 1 487.739 4.953 20 0 JJADMO O=C1C[C@H]([NH2+]Cc2cccc(O)c2Br)CN1c1ccc(Oc2ccccc2)cc1 ZINC001461096285 1067781325 /nfs/dbraw/zinc/78/13/25/1067781325.db2.gz PMVUJPNVVFLTNZ-KRWDZBQOSA-N 1 1 453.336 4.842 20 0 JJADMO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 ZINC001461101018 1067781981 /nfs/dbraw/zinc/78/19/81/1067781981.db2.gz OEOUTENDQMZPNN-GFCCVEGCSA-N 1 1 456.420 4.876 20 0 JJADMO O=C1CCCN1Cc1cccc(C[NH2+]Cc2cc(Br)sc2Br)c1 ZINC001461153697 1067790284 /nfs/dbraw/zinc/79/02/84/1067790284.db2.gz CJBJRTWNPCSUEZ-UHFFFAOYSA-N 1 1 458.219 4.685 20 0 JJADMO FC(F)(F)c1ccccc1OCC[NH2+]Cc1c(Br)cncc1Br ZINC001461179860 1067793751 /nfs/dbraw/zinc/79/37/51/1067793751.db2.gz NNNCNNTWPOAECY-UHFFFAOYSA-N 1 1 454.084 4.794 20 0 JJADMO COc1cc(C[NH2+]Cc2cc(Br)cnc2Cl)cc(Br)c1OC ZINC001461182221 1067794115 /nfs/dbraw/zinc/79/41/15/1067794115.db2.gz UQEKNQZGKURTSF-UHFFFAOYSA-N 1 1 450.558 4.567 20 0 JJADMO C[N@H+]1CCC[C@H](CNCc2c(Br)cncc2Br)[C@@H]1c1cccs1 ZINC001461235170 1067806355 /nfs/dbraw/zinc/80/63/55/1067806355.db2.gz YOTLQMOUGUEUIB-SJKOYZFVSA-N 1 1 459.251 4.841 20 0 JJADMO CCc1ccc([C@@H]([NH2+]Cc2ccc(OC)c(OC)c2C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461250773 1067809800 /nfs/dbraw/zinc/80/98/00/1067809800.db2.gz AJNQYYSIOGGKQS-RUZDIDTESA-N 1 1 453.604 4.857 20 0 JJADMO Cc1ccc(N2CCC[C@H]([NH2+]Cc3cc(Cl)ccc3I)C2=O)cc1 ZINC001461251793 1067810461 /nfs/dbraw/zinc/81/04/61/1067810461.db2.gz NVNBSRRNMPIVQR-SFHVURJKSA-N 1 1 454.739 4.538 20 0 JJADMO CC(C)(C)NC(=O)CN1CCC(C[NH2+]Cc2ccc(-c3cccc(Cl)c3Cl)o2)CC1 ZINC001461257371 1067811797 /nfs/dbraw/zinc/81/17/97/1067811797.db2.gz ONUCJSXBNVKRFE-UHFFFAOYSA-N 1 1 452.426 4.970 20 0 JJADMO Cc1ccc([C@H]([NH2+]Cc2ccc3c(c2)OCCCCO3)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461257177 1067811850 /nfs/dbraw/zinc/81/18/50/1067811850.db2.gz WKJHDOCELLGLBR-SANMLTNESA-N 1 1 451.588 4.829 20 0 JJADMO Cc1ccc(C(=O)N[C@H](CC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC001461272365 1067815403 /nfs/dbraw/zinc/81/54/03/1067815403.db2.gz MKEATNJPWMTPER-UHSQPCAPSA-N 1 1 455.602 4.637 20 0 JJADMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC001461288695 1067818809 /nfs/dbraw/zinc/81/88/09/1067818809.db2.gz KARUFVOBOAVQSE-HYBUGGRVSA-N 1 1 451.611 4.836 20 0 JJADMO O=C1[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2Br)CCN1CCCc1ccccc1 ZINC001461289635 1067819380 /nfs/dbraw/zinc/81/93/80/1067819380.db2.gz XPHJTGYKTTVALT-IBGZPJMESA-N 1 1 455.318 4.791 20 0 JJADMO O=C(N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21)C(F)(F)c1cc(Cl)ccc1Cl ZINC001461326406 1067829033 /nfs/dbraw/zinc/82/90/33/1067829033.db2.gz AGVFAPBRFLQQTN-VQTJNVASSA-N 1 1 455.332 4.587 20 0 JJADMO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(OCCC[NH+]3CCN(C)CC3)cc2)c1 ZINC001461337027 1067832359 /nfs/dbraw/zinc/83/23/59/1067832359.db2.gz VDKKASAVAVNEFP-JOCHJYFZSA-N 1 1 453.627 4.541 20 0 JJADMO CN1CC[NH+](CCCOc2ccc(NC(=O)CCc3ccc(Cl)cc3Cl)cc2)CC1 ZINC001461337658 1067832577 /nfs/dbraw/zinc/83/25/77/1067832577.db2.gz WLMMVCNDBQGWNU-UHFFFAOYSA-N 1 1 450.410 4.581 20 0 JJADMO CC1CCN(S(=O)(=O)Cc2ccccc2C[NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC001461353993 1067836771 /nfs/dbraw/zinc/83/67/71/1067836771.db2.gz JTLUULQEDFLPND-UHFFFAOYSA-N 1 1 454.592 4.923 20 0 JJADMO COc1cc(Br)c(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1OC ZINC001461381219 1067842859 /nfs/dbraw/zinc/84/28/59/1067842859.db2.gz LBDPUDUTRWHMII-KAGYGMCKSA-N 1 1 459.428 4.857 20 0 JJADMO COc1cc(C[NH2+][C@H](CO)c2cnn(C)c2)ccc1OCc1c(C)cc(C(C)(C)C)cc1C ZINC001461416247 1067850980 /nfs/dbraw/zinc/85/09/80/1067850980.db2.gz ZVPXSAHHNOWGLF-XMMPIXPASA-N 1 1 451.611 4.745 20 0 JJADMO CCOc1ccc(Oc2c(C[NH2+]Cc3cccn(CC)c3=O)c(C)nn2-c2ccccc2)cc1 ZINC001461463324 1067862764 /nfs/dbraw/zinc/86/27/64/1067862764.db2.gz RLKYANDUOPVLPM-UHFFFAOYSA-N 1 1 458.562 4.843 20 0 JJADMO CC(=O)Nc1ccc(C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2Cl)cn1 ZINC001461466454 1067863997 /nfs/dbraw/zinc/86/39/97/1067863997.db2.gz ULOVZZLZNDMRAI-UHFFFAOYSA-N 1 1 452.773 4.843 20 0 JJADMO CN(C)C(=O)Nc1ccc(C(=O)Nc2nc3ccc(C[N@@H+](C)C4CC4)cc3s2)c(Cl)c1 ZINC001461477479 1067869314 /nfs/dbraw/zinc/86/93/14/1067869314.db2.gz RKUUUERZHBUUSJ-UHFFFAOYSA-N 1 1 457.987 4.890 20 0 JJADMO C[C@@H]([NH2+]Cc1ccc(F)cc1I)c1ccc(N2CCCCC2=O)cc1 ZINC001461541527 1067884699 /nfs/dbraw/zinc/88/46/99/1067884699.db2.gz SMJDRSTYXQKHSF-CQSZACIVSA-N 1 1 452.311 4.798 20 0 JJADMO CCc1ccccc1[C@@H](C[NH2+]Cc1ncc(Br)cc1F)NC(=O)OC(C)(C)C ZINC001461548515 1067886214 /nfs/dbraw/zinc/88/62/14/1067886214.db2.gz HOQWFKBSTJNWBE-GOSISDBHSA-N 1 1 452.368 4.901 20 0 JJADMO Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C[NH2+]Cc1ccc(CC(N)=O)cc1 ZINC001461555722 1067887564 /nfs/dbraw/zinc/88/75/64/1067887564.db2.gz ZXIOJQNQQAJZLE-UHFFFAOYSA-N 1 1 451.785 4.518 20 0 JJADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC001461587893 1067895044 /nfs/dbraw/zinc/89/50/44/1067895044.db2.gz WUUPQCZLCNGWGI-JWQCQUIFSA-N 1 1 465.638 4.611 20 0 JJADMO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC001461587893 1067895056 /nfs/dbraw/zinc/89/50/56/1067895056.db2.gz WUUPQCZLCNGWGI-JWQCQUIFSA-N 1 1 465.638 4.611 20 0 JJADMO CC(C)[C@@H]1CN(C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)CC[N@H+]1Cc1ccccc1 ZINC001461594565 1067896388 /nfs/dbraw/zinc/89/63/88/1067896388.db2.gz DRIJLCKKTIOWFL-QFIPXVFZSA-N 1 1 452.986 4.692 20 0 JJADMO CC(C)[C@H]1CN(C(=O)c2cc3c(Br)cccc3cn2)CC[N@H+]1Cc1ccccc1 ZINC001461597464 1067897750 /nfs/dbraw/zinc/89/77/50/1067897750.db2.gz KCIMVTQZSAGTKG-HSZRJFAPSA-N 1 1 452.396 4.980 20 0 JJADMO Cc1c(Br)cccc1C[NH2+]Cc1c(F)ccc(I)c1F ZINC001461607508 1067900520 /nfs/dbraw/zinc/90/05/20/1067900520.db2.gz XOGFXDRWZJTFES-UHFFFAOYSA-N 1 1 452.080 4.930 20 0 JJADMO COCO[C@H](C)c1cc(F)c(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)cc1Br ZINC001461666393 1067913961 /nfs/dbraw/zinc/91/39/61/1067913961.db2.gz DVKAESWUNCXDGW-CQSZACIVSA-N 1 1 453.352 4.777 20 0 JJADMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)cc1 ZINC001461676353 1067915867 /nfs/dbraw/zinc/91/58/67/1067915867.db2.gz DXQAIIJQQMCRFF-SFHVURJKSA-N 1 1 459.377 4.500 20 0 JJADMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)cc1 ZINC001461676353 1067915870 /nfs/dbraw/zinc/91/58/70/1067915870.db2.gz DXQAIIJQQMCRFF-SFHVURJKSA-N 1 1 459.377 4.500 20 0 JJADMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)cc1 ZINC001461678975 1067916878 /nfs/dbraw/zinc/91/68/78/1067916878.db2.gz SDFLUKHBCCMPAP-IBGZPJMESA-N 1 1 458.002 4.728 20 0 JJADMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)cc1 ZINC001461678975 1067916884 /nfs/dbraw/zinc/91/68/84/1067916884.db2.gz SDFLUKHBCCMPAP-IBGZPJMESA-N 1 1 458.002 4.728 20 0 JJADMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)cc1 ZINC001461678977 1067917122 /nfs/dbraw/zinc/91/71/22/1067917122.db2.gz SDFLUKHBCCMPAP-LJQANCHMSA-N 1 1 458.002 4.728 20 0 JJADMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)cc1 ZINC001461678977 1067917128 /nfs/dbraw/zinc/91/71/28/1067917128.db2.gz SDFLUKHBCCMPAP-LJQANCHMSA-N 1 1 458.002 4.728 20 0 JJADMO CCC1(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)CCCC1 ZINC001546126382 1067921238 /nfs/dbraw/zinc/92/12/38/1067921238.db2.gz VVSSDOZNUQEKIW-LEWJYISDSA-N 1 1 473.637 4.685 20 0 JJADMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CCCOc1cccc(Br)c1 ZINC001461725269 1067926292 /nfs/dbraw/zinc/92/62/92/1067926292.db2.gz VPLFOJHZTOJFCA-HSZRJFAPSA-N 1 1 459.428 4.977 20 0 JJADMO O[C@](C[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)(c1ccccc1Cl)C(F)(F)F ZINC001461836563 1067944620 /nfs/dbraw/zinc/94/46/20/1067944620.db2.gz GKPPPFWVVSLAJD-LJQANCHMSA-N 1 1 456.873 4.732 20 0 JJADMO CCO[C@H](C)c1nc(CN2CC[NH+](Cc3cc(-c4ccncc4)ccc3OC)CC2)cs1 ZINC001461840074 1067944890 /nfs/dbraw/zinc/94/48/90/1067944890.db2.gz BUCZBCUKCSRJMH-LJQANCHMSA-N 1 1 452.624 4.629 20 0 JJADMO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC001461844586 1067945707 /nfs/dbraw/zinc/94/57/07/1067945707.db2.gz JYPFRFYOMVVGLP-XMSQKQJNSA-N 1 1 459.428 4.950 20 0 JJADMO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)cnn1C ZINC001461844437 1067945802 /nfs/dbraw/zinc/94/58/02/1067945802.db2.gz KZFZFYKPQBZSII-GOSISDBHSA-N 1 1 454.537 4.563 20 0 JJADMO CCOC(=O)c1nn(-c2ccccc2)cc1C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC001461874037 1067952170 /nfs/dbraw/zinc/95/21/70/1067952170.db2.gz LFDMVPDKMLBDEB-FCHUYYIVSA-N 1 1 453.608 4.979 20 0 JJADMO COC(=O)c1ccc(C[N@@H+](C)C2CCC(NC(=O)OC(C)(C)C)CC2)c(Br)c1 ZINC001461878864 1067952973 /nfs/dbraw/zinc/95/29/73/1067952973.db2.gz AKXKJSPQLQTHKF-UHFFFAOYSA-N 1 1 455.393 4.503 20 0 JJADMO COc1cccc(CN2CC[NH+](Cc3ccc(-c4ccc(Br)cc4)s3)CC2)n1 ZINC001461887122 1067955042 /nfs/dbraw/zinc/95/50/42/1067955042.db2.gz IUGHZOXMYNQLAV-UHFFFAOYSA-N 1 1 458.425 4.899 20 0 JJADMO O=C(NC[C@H]1CCC[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1)c1ccccc1 ZINC001461915715 1067960663 /nfs/dbraw/zinc/96/06/63/1067960663.db2.gz KDOYOSAYQXATAF-HXUWFJFHSA-N 1 1 456.512 4.592 20 0 JJADMO CN(C)c1cc(Cl)cc(Cl)c1C[N@H+](C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001461934355 1067964170 /nfs/dbraw/zinc/96/41/70/1067964170.db2.gz JDPUIFRWVRYQPG-OAHLLOKOSA-N 1 1 451.316 4.950 20 0 JJADMO CN(C)c1cc(Cl)cc(Cl)c1C[N@@H+](C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001461934355 1067964174 /nfs/dbraw/zinc/96/41/74/1067964174.db2.gz JDPUIFRWVRYQPG-OAHLLOKOSA-N 1 1 451.316 4.950 20 0 JJADMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001461955297 1067968324 /nfs/dbraw/zinc/96/83/24/1067968324.db2.gz NAZPFOFRVQYLKM-QFIPXVFZSA-N 1 1 453.583 4.631 20 0 JJADMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001461955297 1067968328 /nfs/dbraw/zinc/96/83/28/1067968328.db2.gz NAZPFOFRVQYLKM-QFIPXVFZSA-N 1 1 453.583 4.631 20 0 JJADMO CC[N@@H+](Cc1cccc(S(N)(=O)=O)c1)Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1 ZINC001461972906 1067972368 /nfs/dbraw/zinc/97/23/68/1067972368.db2.gz XZQDLDZXNWBHQD-UHFFFAOYSA-N 1 1 452.620 4.860 20 0 JJADMO C[N@H+](Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)[C@@H]1CCCN(c2ccccc2)C1=O ZINC001461971756 1067972406 /nfs/dbraw/zinc/97/24/06/1067972406.db2.gz VNSZQODGMFKULE-OAQYLSRUSA-N 1 1 455.624 4.669 20 0 JJADMO C[N@@H+](Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)[C@@H]1CCCN(c2ccccc2)C1=O ZINC001461971756 1067972416 /nfs/dbraw/zinc/97/24/16/1067972416.db2.gz VNSZQODGMFKULE-OAQYLSRUSA-N 1 1 455.624 4.669 20 0 JJADMO C[C@@H]1C[C@@H](N(C)Cc2cccc(F)c2I)CC[N@H+]1Cc1ccccc1 ZINC001461989062 1067976219 /nfs/dbraw/zinc/97/62/19/1067976219.db2.gz ZALZWDNGMCFPHR-APWZRJJASA-N 1 1 452.355 4.915 20 0 JJADMO CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CC[N@H+]1Cc1ccc(N(C)CCOC)nc1 ZINC001461993244 1067976651 /nfs/dbraw/zinc/97/66/51/1067976651.db2.gz GFTZEATZSHARPM-JOCHJYFZSA-N 1 1 450.549 4.674 20 0 JJADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC001461999809 1067978021 /nfs/dbraw/zinc/97/80/21/1067978021.db2.gz RKKJGVBHBUKTKL-HSZRJFAPSA-N 1 1 455.602 4.578 20 0 JJADMO CO[C@H](C[NH+]1CCN(S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)CC1)C1CCCCC1 ZINC001462018873 1067982307 /nfs/dbraw/zinc/98/23/07/1067982307.db2.gz POCLFMBWADPXLO-HSZRJFAPSA-N 1 1 450.689 4.503 20 0 JJADMO O=C(NCc1ccccc1)C1CC[NH+](Cc2cc(OC(F)F)ccc2Br)CC1 ZINC001462056858 1067992857 /nfs/dbraw/zinc/99/28/57/1067992857.db2.gz WKCZKYJLTLMQJW-UHFFFAOYSA-N 1 1 453.327 4.579 20 0 JJADMO FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccc(Br)cc3)C2)n1 ZINC001462079345 1067997405 /nfs/dbraw/zinc/99/74/05/1067997405.db2.gz FGDVBQHEJSCPDM-MRXNPFEDSA-N 1 1 454.294 4.892 20 0 JJADMO COCO[C@H](C)c1cc(F)c(CN(C)Cc2[nH+]cc(C)c(OC)c2C)cc1Br ZINC001462077320 1067997615 /nfs/dbraw/zinc/99/76/15/1067997615.db2.gz ZXGCQQRWVSIHDM-OAHLLOKOSA-N 1 1 455.368 4.922 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)C(F)(F)Cc2ccccc2)cc1 ZINC001462102478 1068003039 /nfs/dbraw/zinc/00/30/39/1068003039.db2.gz BMLBBSKETSQGSG-LOSJGSFVSA-N 1 1 450.529 4.657 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC001462113257 1068006736 /nfs/dbraw/zinc/00/67/36/1068006736.db2.gz XVUOTRQUSAMYCQ-RBBKRZOGSA-N 1 1 456.373 4.795 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CN(Cc1ccco1)c1cccc(Cl)c1 ZINC001462122589 1068009368 /nfs/dbraw/zinc/00/93/68/1068009368.db2.gz NBABADORLDGUJY-RBBKRZOGSA-N 1 1 451.998 4.824 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 ZINC001462124830 1068010709 /nfs/dbraw/zinc/01/07/09/1068010709.db2.gz PTGFJCRLJMACTO-RXVVDRJESA-N 1 1 452.986 4.597 20 0 JJADMO Cc1ccccc1-n1ncc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1C(F)(F)F ZINC001462132929 1068012465 /nfs/dbraw/zinc/01/24/65/1068012465.db2.gz ZASLLQHCBZHDQL-ICSRJNTNSA-N 1 1 456.512 4.697 20 0 JJADMO COC(=O)c1ccc(Cl)c(C[NH2+]Cc2ccc(I)cc2Cl)c1 ZINC001462137327 1068013240 /nfs/dbraw/zinc/01/32/40/1068013240.db2.gz NUEOFBKRGMSJHP-UHFFFAOYSA-N 1 1 450.103 4.674 20 0 JJADMO CCC[N@@H+](Cc1cn(-c2ccccc2Br)nn1)[C@H](C)CC(=O)Nc1ccccc1 ZINC001462139904 1068013876 /nfs/dbraw/zinc/01/38/76/1068013876.db2.gz WCISETOTYCBKSC-QGZVFWFLSA-N 1 1 456.388 4.659 20 0 JJADMO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1 ZINC001462178866 1068022705 /nfs/dbraw/zinc/02/27/05/1068022705.db2.gz GAYUELNPAITMEE-UXHICEINSA-N 1 1 457.590 4.688 20 0 JJADMO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1Cc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1 ZINC001462178866 1068022721 /nfs/dbraw/zinc/02/27/21/1068022721.db2.gz GAYUELNPAITMEE-UXHICEINSA-N 1 1 457.590 4.688 20 0 JJADMO CC[N@H+]1CCC[C@H]1CN(Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)Cc1ccncc1 ZINC001462191276 1068025680 /nfs/dbraw/zinc/02/56/80/1068025680.db2.gz RBSHLFBSJIWMNV-DEOSSOPVSA-N 1 1 457.544 4.832 20 0 JJADMO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001462216242 1068030267 /nfs/dbraw/zinc/03/02/67/1068030267.db2.gz PHGDHCXPOMAZPV-MRXNPFEDSA-N 1 1 454.402 4.843 20 0 JJADMO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001462216242 1068030281 /nfs/dbraw/zinc/03/02/81/1068030281.db2.gz PHGDHCXPOMAZPV-MRXNPFEDSA-N 1 1 454.402 4.843 20 0 JJADMO COc1cc(C[N@H+]2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)cc(OC)c1OCC(F)F ZINC001462228630 1068033406 /nfs/dbraw/zinc/03/34/06/1068033406.db2.gz RNNHCMIAKLMHME-QGZVFWFLSA-N 1 1 458.546 4.617 20 0 JJADMO C[C@@H]1CCCN(C(=O)OC[C@H]2CCCC[N@@H+]2Cc2ccc(C(=O)OCc3ccccc3)[nH]2)C1 ZINC001462230090 1068033708 /nfs/dbraw/zinc/03/37/08/1068033708.db2.gz UDKSONPIUIDAFF-NFBKMPQASA-N 1 1 453.583 4.595 20 0 JJADMO C[C@@H]1CCCN(C(=O)OC[C@H]2CCCC[N@H+]2Cc2ccc(C(=O)OCc3ccccc3)[nH]2)C1 ZINC001462230090 1068033728 /nfs/dbraw/zinc/03/37/28/1068033728.db2.gz UDKSONPIUIDAFF-NFBKMPQASA-N 1 1 453.583 4.595 20 0 JJADMO C[C@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@@H+]2Cc2ccc(C(=O)OCc3ccccc3)[nH]2)C1 ZINC001462230103 1068033796 /nfs/dbraw/zinc/03/37/96/1068033796.db2.gz UDKSONPIUIDAFF-REWPJTCUSA-N 1 1 453.583 4.595 20 0 JJADMO C[C@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@H+]2Cc2ccc(C(=O)OCc3ccccc3)[nH]2)C1 ZINC001462230103 1068033809 /nfs/dbraw/zinc/03/38/09/1068033809.db2.gz UDKSONPIUIDAFF-REWPJTCUSA-N 1 1 453.583 4.595 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCC[N@@H+](C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001462249103 1068037864 /nfs/dbraw/zinc/03/78/64/1068037864.db2.gz RKNVPKWJCVGXPK-PWRODBHTSA-N 1 1 451.652 4.603 20 0 JJADMO COC(=O)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001462272504 1068041574 /nfs/dbraw/zinc/04/15/74/1068041574.db2.gz CMEZJEMDYJXNST-MOPGFXCFSA-N 1 1 455.599 4.814 20 0 JJADMO COC(=O)[C@@H](C)Oc1ccc(C[N@H+]2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)cc1 ZINC001462280786 1068042895 /nfs/dbraw/zinc/04/28/95/1068042895.db2.gz GULDXVAWNOYZFR-IIBYNOLFSA-N 1 1 451.485 4.998 20 0 JJADMO O[C@H](c1ccc(Br)cc1)[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC001462293082 1068045473 /nfs/dbraw/zinc/04/54/73/1068045473.db2.gz HODBWIKSXYUPTB-NFBKMPQASA-N 1 1 458.375 4.779 20 0 JJADMO C[C@H](C[N@@H+](Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1)[C@@H](C)CO)c1ccccc1 ZINC001462293882 1068045545 /nfs/dbraw/zinc/04/55/45/1068045545.db2.gz VOPJEJFNQDPTOW-RTWAWAEBSA-N 1 1 456.627 4.824 20 0 JJADMO COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c(OCc2cccnc2)c1 ZINC001462294334 1068045972 /nfs/dbraw/zinc/04/59/72/1068045972.db2.gz KJIMDJWBRHRFLS-OFNKIYASSA-N 1 1 453.583 4.501 20 0 JJADMO CC(C)(C)OC(=O)NCc1cn([C@H]2CCC[N@@H+](Cc3ccc(-c4ccc(F)cc4)o3)C2)nn1 ZINC001462311213 1068048867 /nfs/dbraw/zinc/04/88/67/1068048867.db2.gz DMPPQWIOLZSLGC-FQEVSTJZSA-N 1 1 455.534 4.539 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](C[NH+]1CC(Cc2ccccc2OC(F)(F)F)C1)CC(F)(F)F ZINC001462321209 1068050516 /nfs/dbraw/zinc/05/05/16/1068050516.db2.gz KYZKYOMZTCIHHX-HNNXBMFYSA-N 1 1 456.427 4.905 20 0 JJADMO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]2CCC[C@]2(C)Cc2ccc(F)cc2)cnn1C ZINC001462353126 1068057431 /nfs/dbraw/zinc/05/74/31/1068057431.db2.gz CRTVJXITXOWSMC-QFQXNSOFSA-N 1 1 458.622 4.648 20 0 JJADMO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]2CCC[C@@]2(C)Cc2ccc(F)cc2)cnn1C ZINC001462353125 1068057487 /nfs/dbraw/zinc/05/74/87/1068057487.db2.gz CRTVJXITXOWSMC-LVXARBLLSA-N 1 1 458.622 4.648 20 0 JJADMO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]2CCC[C@]2(C)Cc2ccc(F)cc2)cnn1C ZINC001462353123 1068057691 /nfs/dbraw/zinc/05/76/91/1068057691.db2.gz CRTVJXITXOWSMC-HFZDXXHNSA-N 1 1 458.622 4.648 20 0 JJADMO Clc1nc(N2CCOCC2)sc1C[N@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC001462355259 1068058451 /nfs/dbraw/zinc/05/84/51/1068058451.db2.gz LPGPWCPNGBGSPV-OAHLLOKOSA-N 1 1 456.837 4.603 20 0 JJADMO CCc1cccc(NC(=O)C[NH2+]Cc2cc(Br)c([C@H](C)OCOC)cc2F)c1 ZINC001462359378 1068059362 /nfs/dbraw/zinc/05/93/62/1068059362.db2.gz CFZOKWQZBUZEGB-AWEZNQCLSA-N 1 1 453.352 4.560 20 0 JJADMO C[C@@H]1CC[C@@H]([NH2+]Cc2c(F)c(F)c(Br)c(F)c2F)CN1C(=O)OC(C)(C)C ZINC001462369051 1068061749 /nfs/dbraw/zinc/06/17/49/1068061749.db2.gz CPRPDHXSJQRFGH-NXEZZACHSA-N 1 1 455.290 4.883 20 0 JJADMO CCC1(Cn2c(-c3ccc(Br)s3)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001546131411 1068067453 /nfs/dbraw/zinc/06/74/53/1068067453.db2.gz ZEDRBGPGRBJUOE-UHFFFAOYSA-N 1 1 452.466 4.880 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cccc(Br)c3)C2)C1 ZINC001462409584 1068067652 /nfs/dbraw/zinc/06/76/52/1068067652.db2.gz VKDUKHSYTRQZGT-MISYRCLQSA-N 1 1 453.421 4.733 20 0 JJADMO C[C@H]1CN(c2ccccc2C[N@H+]2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)CCO1 ZINC001462424768 1068071809 /nfs/dbraw/zinc/07/18/09/1068071809.db2.gz GLTUSPSQGZAGAP-GMAHTHKFSA-N 1 1 457.659 4.771 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)C2)O1 ZINC001462439705 1068074507 /nfs/dbraw/zinc/07/45/07/1068074507.db2.gz JETTWMXSTVQGAX-ZHRRBRCNSA-N 1 1 452.904 4.864 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)C2)O1 ZINC001462439705 1068074520 /nfs/dbraw/zinc/07/45/20/1068074520.db2.gz JETTWMXSTVQGAX-ZHRRBRCNSA-N 1 1 452.904 4.864 20 0 JJADMO CC(C)[C@H]1CN(Cc2cccc(F)c2I)CC[N@H+]1Cc1ccccc1 ZINC001462442012 1068075001 /nfs/dbraw/zinc/07/50/01/1068075001.db2.gz ULKFUXAONZKKKD-HXUWFJFHSA-N 1 1 452.355 4.773 20 0 JJADMO COc1ccc([C@@H]2C[N@H+](Cc3nc4c(s3)C[C@@H](C)CC4)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001462517285 1068089621 /nfs/dbraw/zinc/08/96/21/1068089621.db2.gz GHVWTKSVAJPXID-NBHGPNQESA-N 1 1 457.640 4.769 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3nc4c(s3)C[C@@H](C)CC4)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001462517285 1068089635 /nfs/dbraw/zinc/08/96/35/1068089635.db2.gz GHVWTKSVAJPXID-NBHGPNQESA-N 1 1 457.640 4.769 20 0 JJADMO CN(C)c1nc(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)c(Cl)n1-c1ccc(Br)cc1 ZINC001462521924 1068091018 /nfs/dbraw/zinc/09/10/18/1068091018.db2.gz KEZGXWVEIPKEEB-KGLIPLIRSA-N 1 1 455.853 4.539 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCC[N@H+]([C@@H]2CCC3(C[C@H]2F)OCCO3)C1)C1CCCC1 ZINC001462561451 1068098523 /nfs/dbraw/zinc/09/85/23/1068098523.db2.gz CMFPNQRZKUJHIR-BDKRGJGYSA-N 1 1 454.627 4.806 20 0 JJADMO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N2CC[C@H](C(F)(F)F)O[C@H](C)C2)c1 ZINC001462570497 1068100619 /nfs/dbraw/zinc/10/06/19/1068100619.db2.gz LMPZSDRLZPYSBU-OYYPCOLYSA-N 1 1 460.540 4.779 20 0 JJADMO CCOc1cc(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)cc(Cl)c1O ZINC001462579522 1068103151 /nfs/dbraw/zinc/10/31/51/1068103151.db2.gz VUZGPONEJIERBY-ZIAGYGMSSA-N 1 1 452.901 4.579 20 0 JJADMO CCOc1cc(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)cc(Cl)c1O ZINC001462579522 1068103153 /nfs/dbraw/zinc/10/31/53/1068103153.db2.gz VUZGPONEJIERBY-ZIAGYGMSSA-N 1 1 452.901 4.579 20 0 JJADMO COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001462584147 1068104354 /nfs/dbraw/zinc/10/43/54/1068104354.db2.gz CNHLHQJDXAKJDN-RTBURBONSA-N 1 1 451.489 4.645 20 0 JJADMO COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001462584147 1068104358 /nfs/dbraw/zinc/10/43/58/1068104358.db2.gz CNHLHQJDXAKJDN-RTBURBONSA-N 1 1 451.489 4.645 20 0 JJADMO C[C@@H]1C[C@@H](C[N@H+]2CC[C@]3(C2)CCCCN3C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC001462601878 1068109627 /nfs/dbraw/zinc/10/96/27/1068109627.db2.gz FYVBCRWFKVDGQM-RNHFSVANSA-N 1 1 451.652 4.888 20 0 JJADMO COc1ccc(Br)c(CC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCCCC2)c1 ZINC001462627118 1068116317 /nfs/dbraw/zinc/11/63/17/1068116317.db2.gz URSKZRBHRUJNSZ-UHFFFAOYSA-N 1 1 459.428 4.951 20 0 JJADMO C[C@H]1C[N@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001462631139 1068118179 /nfs/dbraw/zinc/11/81/79/1068118179.db2.gz UFOJBAKTOIISLX-GJZGRUSLSA-N 1 1 454.402 4.557 20 0 JJADMO C[C@H]1C[N@@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001462631139 1068118184 /nfs/dbraw/zinc/11/81/84/1068118184.db2.gz UFOJBAKTOIISLX-GJZGRUSLSA-N 1 1 454.402 4.557 20 0 JJADMO O=C(NCC[C@@H]1CC[C@@H](C(F)(F)F)O1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001462691365 1068132796 /nfs/dbraw/zinc/13/27/96/1068132796.db2.gz UMKDXAUOTZCGNC-PXCRPINLSA-N 1 1 452.542 4.580 20 0 JJADMO CCN(Cc1ccncc1)S(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001462706839 1068137787 /nfs/dbraw/zinc/13/77/87/1068137787.db2.gz IFEPRCBSIDSKFK-LOSJGSFVSA-N 1 1 470.038 4.555 20 0 JJADMO Cc1ccc(Br)c(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)c1 ZINC001462733160 1068147059 /nfs/dbraw/zinc/14/70/59/1068147059.db2.gz OQKOZVIHZVGIEP-KRWDZBQOSA-N 1 1 457.459 4.571 20 0 JJADMO COc1ccccc1[C@@H](CNS(=O)(=O)Cc1ccc(C2CCCCC2)cc1)[NH+]1CCCC1 ZINC001462734767 1068147631 /nfs/dbraw/zinc/14/76/31/1068147631.db2.gz SZBMXSOVJHGMFX-RUZDIDTESA-N 1 1 456.652 4.999 20 0 JJADMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1csc(Cc2ccc(F)cc2)n1 ZINC001462760688 1068158253 /nfs/dbraw/zinc/15/82/53/1068158253.db2.gz AMKVYZRCMVZQRT-RTBURBONSA-N 1 1 463.500 4.666 20 0 JJADMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1csc(Cc2ccc(F)cc2)n1 ZINC001462760688 1068158259 /nfs/dbraw/zinc/15/82/59/1068158259.db2.gz AMKVYZRCMVZQRT-RTBURBONSA-N 1 1 463.500 4.666 20 0 JJADMO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001462762027 1068159007 /nfs/dbraw/zinc/15/90/07/1068159007.db2.gz HFXNFNWSSHVXGG-WOJBJXKFSA-N 1 1 476.930 4.686 20 0 JJADMO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001462762027 1068159012 /nfs/dbraw/zinc/15/90/12/1068159012.db2.gz HFXNFNWSSHVXGG-WOJBJXKFSA-N 1 1 476.930 4.686 20 0 JJADMO C[C@@H](Sc1nc2ccccc2s1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001462771034 1068163014 /nfs/dbraw/zinc/16/30/14/1068163014.db2.gz XXQRTPWXQWDBNP-QGPMSJSTSA-N 1 1 465.566 4.956 20 0 JJADMO C[C@@H](Sc1nc2ccccc2s1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001462771034 1068163023 /nfs/dbraw/zinc/16/30/23/1068163023.db2.gz XXQRTPWXQWDBNP-QGPMSJSTSA-N 1 1 465.566 4.956 20 0 JJADMO O=S(=O)(Cc1cc(Cl)sc1Cl)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001462825365 1068178521 /nfs/dbraw/zinc/17/85/21/1068178521.db2.gz NDAANTHCEQYQPH-HNNXBMFYSA-N 1 1 453.844 4.965 20 0 JJADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2OC(F)F)cc1 ZINC001462835080 1068184656 /nfs/dbraw/zinc/18/46/56/1068184656.db2.gz UGLONCHLIUUKFP-OAHLLOKOSA-N 1 1 458.958 4.794 20 0 JJADMO CCCOc1ccc(CC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1OCCC ZINC001462836892 1068185138 /nfs/dbraw/zinc/18/51/38/1068185138.db2.gz QYEQESWMUQFXNG-RPBOFIJWSA-N 1 1 450.623 4.787 20 0 JJADMO CCCN([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1csnc1-c1ccccc1 ZINC001462981180 1068237664 /nfs/dbraw/zinc/23/76/64/1068237664.db2.gz HFWHGEDPOLTCOL-JOCHJYFZSA-N 1 1 455.649 4.875 20 0 JJADMO Cn1nc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)cc1C(F)(F)F ZINC001463031549 1068257580 /nfs/dbraw/zinc/25/75/80/1068257580.db2.gz QOBYLTRSBOJQLX-RBUKOAKNSA-N 1 1 462.903 4.947 20 0 JJADMO CC[C@@H](NS(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(C)cc1)c1nc(C)cs1 ZINC001463055342 1068267954 /nfs/dbraw/zinc/26/79/54/1068267954.db2.gz LIFAGZLYCSWFFM-RBZQAINGSA-N 1 1 469.676 4.799 20 0 JJADMO O=S(=O)(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(Cl)cc1Cl ZINC001463094602 1068284852 /nfs/dbraw/zinc/28/48/52/1068284852.db2.gz IHQDZGWMAHTJNV-OAHLLOKOSA-N 1 1 453.313 4.565 20 0 JJADMO O=S(=O)(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(Cl)cc1Cl ZINC001463094602 1068284867 /nfs/dbraw/zinc/28/48/67/1068284867.db2.gz IHQDZGWMAHTJNV-OAHLLOKOSA-N 1 1 453.313 4.565 20 0 JJADMO CC[N@@H+](CCC1CCN(C(=O)[C@@H](C)Oc2ccc(F)cc2Br)CC1)CC1CC1 ZINC001546136539 1068287572 /nfs/dbraw/zinc/28/75/72/1068287572.db2.gz IGZBBVOHEHJUPQ-MRXNPFEDSA-N 1 1 455.412 4.716 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNS(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001463120482 1068293755 /nfs/dbraw/zinc/29/37/55/1068293755.db2.gz AYTAYOKWLCJMIO-UHFFFAOYSA-N 1 1 453.589 4.514 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNS(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001463120482 1068293764 /nfs/dbraw/zinc/29/37/64/1068293764.db2.gz AYTAYOKWLCJMIO-UHFFFAOYSA-N 1 1 453.589 4.514 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNS(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC001463127776 1068296698 /nfs/dbraw/zinc/29/66/98/1068296698.db2.gz PZUVKGBADMZWSQ-UHFFFAOYSA-N 1 1 457.354 4.836 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNS(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC001463127776 1068296710 /nfs/dbraw/zinc/29/67/10/1068296710.db2.gz PZUVKGBADMZWSQ-UHFFFAOYSA-N 1 1 457.354 4.836 20 0 JJADMO C[C@@]1(NC(=O)[C@@H](C[C@H]2CCCO2)C(F)(F)F)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001463149609 1068303775 /nfs/dbraw/zinc/30/37/75/1068303775.db2.gz OQLPSEZQRUNFOG-AGDMDRQQSA-N 1 1 460.540 4.909 20 0 JJADMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)[C@@H]1c1cccs1 ZINC001463152164 1068305047 /nfs/dbraw/zinc/30/50/47/1068305047.db2.gz BPFAXPNNIZHSIA-YVEFUNNKSA-N 1 1 452.951 4.782 20 0 JJADMO O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001463223528 1068325747 /nfs/dbraw/zinc/32/57/47/1068325747.db2.gz COVHZEZZPXTPSL-OAQYLSRUSA-N 1 1 457.398 4.809 20 0 JJADMO CCCCCOc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC001463226640 1068327392 /nfs/dbraw/zinc/32/73/92/1068327392.db2.gz SSNYDHIYTBWPSJ-SANMLTNESA-N 1 1 456.652 4.932 20 0 JJADMO C[C@H]1C[C@H](NS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)CC[N@H+]1Cc1ccccc1 ZINC001463231579 1068329469 /nfs/dbraw/zinc/32/94/69/1068329469.db2.gz OFNMIXSYIZJZHT-PKOBYXMFSA-N 1 1 457.665 4.925 20 0 JJADMO CC(C)C1CCC([NH+]2CCN(S(=O)(=O)c3cc(Cl)ccc3C(F)(F)F)CC2)CC1 ZINC001463248038 1068334592 /nfs/dbraw/zinc/33/45/92/1068334592.db2.gz DALWKORKYDULQP-UHFFFAOYSA-N 1 1 452.970 4.880 20 0 JJADMO CCS[C@H]1CCC[C@H]1NS(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(C)cc1 ZINC001463264514 1068338964 /nfs/dbraw/zinc/33/89/64/1068338964.db2.gz CQOYDBQMJHRYMO-FQUZAXHOSA-N 1 1 458.693 4.557 20 0 JJADMO Cc1c2cc(F)ccc2oc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001463431749 1068395720 /nfs/dbraw/zinc/39/57/20/1068395720.db2.gz FMKIHJGIQUOSAE-VBKZILBWSA-N 1 1 454.926 4.644 20 0 JJADMO Cc1c2cc(F)ccc2oc1S(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001463431749 1068395742 /nfs/dbraw/zinc/39/57/42/1068395742.db2.gz FMKIHJGIQUOSAE-VBKZILBWSA-N 1 1 454.926 4.644 20 0 JJADMO CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(OC(C)C)c2ccccc21 ZINC001463466287 1068410147 /nfs/dbraw/zinc/41/01/47/1068410147.db2.gz RMOAQUXDMSDVMU-QFIPXVFZSA-N 1 1 452.620 4.912 20 0 JJADMO Cc1cc(Br)ccc1CC(=O)N[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001463527495 1068428806 /nfs/dbraw/zinc/42/88/06/1068428806.db2.gz LSWHOYZSAPZQPA-FQEVSTJZSA-N 1 1 455.318 4.623 20 0 JJADMO Cc1cc(Br)ccc1CC(=O)N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001463527495 1068428809 /nfs/dbraw/zinc/42/88/09/1068428809.db2.gz LSWHOYZSAPZQPA-FQEVSTJZSA-N 1 1 455.318 4.623 20 0 JJADMO C[NH+](C)[C@H](CNC(=O)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1ccccc1Cl ZINC001463558726 1068442625 /nfs/dbraw/zinc/44/26/25/1068442625.db2.gz BYHYSKGJKKTALJ-IRLDBZIGSA-N 1 1 454.920 4.727 20 0 JJADMO CCC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001463564921 1068446503 /nfs/dbraw/zinc/44/65/03/1068446503.db2.gz PKHNDBDFUKGEDY-FQEVSTJZSA-N 1 1 450.004 4.652 20 0 JJADMO C[NH+](C)C[C@H](NS(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1)c1ccc(Cl)cc1 ZINC001463600308 1068461040 /nfs/dbraw/zinc/46/10/40/1068461040.db2.gz ULTVALAUSLPOSC-SFHVURJKSA-N 1 1 452.045 4.828 20 0 JJADMO CC(C)(C)c1nc2ccc(S(=O)(=O)NC[C@]3(C)CC[N@@H+](Cc4ccccc4)C3)cc2s1 ZINC001463639457 1068478217 /nfs/dbraw/zinc/47/82/17/1068478217.db2.gz SCSTVTYHLZBKRK-DEOSSOPVSA-N 1 1 457.665 4.784 20 0 JJADMO CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)cc2C1 ZINC001463651740 1068481507 /nfs/dbraw/zinc/48/15/07/1068481507.db2.gz ZBGLQCAXQWCPPI-JOCHJYFZSA-N 1 1 453.583 4.530 20 0 JJADMO CC[N@H+](C)[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccccc1 ZINC001463670986 1068489685 /nfs/dbraw/zinc/48/96/85/1068489685.db2.gz CGPJDSHWBXEPEM-DEOSSOPVSA-N 1 1 451.592 4.736 20 0 JJADMO CC[N@@H+](C)[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccccc1 ZINC001463670986 1068489690 /nfs/dbraw/zinc/48/96/90/1068489690.db2.gz CGPJDSHWBXEPEM-DEOSSOPVSA-N 1 1 451.592 4.736 20 0 JJADMO CC(C)Oc1ccc(S(=O)(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)c2ccccc12 ZINC001463748267 1068512039 /nfs/dbraw/zinc/51/20/39/1068512039.db2.gz USWUCVPNWVVWBJ-UHFFFAOYSA-N 1 1 452.620 4.960 20 0 JJADMO COc1c(C)cc(S(=O)(=O)N2CC[N@@H+](CCCc3ccccc3)C[C@H]2CC(C)C)cc1C ZINC001463755388 1068513984 /nfs/dbraw/zinc/51/39/84/1068513984.db2.gz MVXHNOJTUGLBSJ-XMMPIXPASA-N 1 1 458.668 4.666 20 0 JJADMO Cc1ccc(OCCCC(=O)NN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(C)c1 ZINC001463795364 1068526827 /nfs/dbraw/zinc/52/68/27/1068526827.db2.gz MVKPUXBNLFBXKR-UHFFFAOYSA-N 1 1 457.618 4.901 20 0 JJADMO O=C([C@@H](F)CN(Cc1ccccc1)Cc1ccccc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001463825473 1068536883 /nfs/dbraw/zinc/53/68/83/1068536883.db2.gz GYHRSHMPRUSLOM-NDEPHWFRSA-N 1 1 459.609 4.761 20 0 JJADMO COc1cc(Cl)c(S(=O)(=O)NC[C@H](c2ccc(CC(C)C)cc2)[NH+](C)C)cc1Cl ZINC001463825480 1068537247 /nfs/dbraw/zinc/53/72/47/1068537247.db2.gz SUOUTNQIAZQJHA-LJQANCHMSA-N 1 1 459.439 4.782 20 0 JJADMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(I)cc1 ZINC001463826521 1068538361 /nfs/dbraw/zinc/53/83/61/1068538361.db2.gz TWGQTSNKGUTDSW-SFHVURJKSA-N 1 1 454.739 4.512 20 0 JJADMO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N(C)C2CCC(F)(F)CC2)cc1 ZINC001463832415 1068540591 /nfs/dbraw/zinc/54/05/91/1068540591.db2.gz SRTOXISOYZEIIZ-BJKOFHAPSA-N 1 1 462.606 4.803 20 0 JJADMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC001463837947 1068542581 /nfs/dbraw/zinc/54/25/81/1068542581.db2.gz OWHFHSRAQYBHBP-HSZRJFAPSA-N 1 1 451.954 4.592 20 0 JJADMO COc1ccc(-c2n[nH]cc2C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC001546143784 1068596231 /nfs/dbraw/zinc/59/62/31/1068596231.db2.gz VIRNNCQVKGDMSI-UHFFFAOYSA-N 1 1 459.377 4.787 20 0 JJADMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001464040578 1068596742 /nfs/dbraw/zinc/59/67/42/1068596742.db2.gz CSYPFDDQYPVEKO-UHFFFAOYSA-N 1 1 459.556 4.846 20 0 JJADMO CCC1(Cn2c(CC(C)(C)C)nnc2N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)CCOCC1 ZINC001546144078 1068607022 /nfs/dbraw/zinc/60/70/22/1068607022.db2.gz CQBKVTAIKSRTBO-QFIPXVFZSA-N 1 1 483.701 4.965 20 0 JJADMO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccccc1NCCC1=CCCCC1 ZINC001464096800 1068614131 /nfs/dbraw/zinc/61/41/31/1068614131.db2.gz ROUASVCTJYZTOK-UHFFFAOYSA-N 1 1 450.602 4.680 20 0 JJADMO CC[C@@H](CNC(=O)c1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C)[N@H+]1CCc2ccccc2C1 ZINC001464097590 1068614202 /nfs/dbraw/zinc/61/42/02/1068614202.db2.gz GPKIFTMNMRUQBZ-NRFANRHFSA-N 1 1 456.512 4.971 20 0 JJADMO COc1ccccc1Nc1ccc(C(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC001464100192 1068615481 /nfs/dbraw/zinc/61/54/81/1068615481.db2.gz UAARRRPSAXCSAQ-SANMLTNESA-N 1 1 458.606 4.547 20 0 JJADMO COc1ccccc1Nc1ccc(C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC001464100192 1068615485 /nfs/dbraw/zinc/61/54/85/1068615485.db2.gz UAARRRPSAXCSAQ-SANMLTNESA-N 1 1 458.606 4.547 20 0 JJADMO COc1ccccc1Nc1ccc(C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC001464100192 1068615490 /nfs/dbraw/zinc/61/54/90/1068615490.db2.gz UAARRRPSAXCSAQ-SANMLTNESA-N 1 1 458.606 4.547 20 0 JJADMO CC[C@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCCC1)[N@H+]1CCc2ccccc2C1 ZINC001464103075 1068616914 /nfs/dbraw/zinc/61/69/14/1068616914.db2.gz XGKUSUIODUXEIM-RPWUZVMVSA-N 1 1 457.659 4.803 20 0 JJADMO CCN1CC[NH+](Cc2ccc(NC(=O)Cc3sc(SC4CCCC4)nc3C)cc2)CC1 ZINC001464124326 1068623673 /nfs/dbraw/zinc/62/36/73/1068623673.db2.gz IIWCCAKSEWKXTD-UHFFFAOYSA-N 1 1 458.697 4.805 20 0 JJADMO CCc1c(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cnn1-c1ccccc1OC ZINC001464139409 1068631033 /nfs/dbraw/zinc/63/10/33/1068631033.db2.gz YSCPKIRLWPSOTQ-HSZRJFAPSA-N 1 1 452.986 4.664 20 0 JJADMO Cc1cc(C)nc(Nc2ccc(O)c(C(=O)NCc3ccccc3C[N@@H+]3CCC[C@@H](C)C3)c2)n1 ZINC001464154332 1068635708 /nfs/dbraw/zinc/63/57/08/1068635708.db2.gz CWVIHVQMPCRAIZ-GOSISDBHSA-N 1 1 459.594 4.705 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2ccc(S[C@@H]3CCOC3=O)cc2)C1 ZINC001464193592 1068651615 /nfs/dbraw/zinc/65/16/15/1068651615.db2.gz LNYYGUZODWZQBU-YDIMBITNSA-N 1 1 452.620 4.502 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)C23CCC(CC2)N3C(=O)OC(C)(C)C)C1 ZINC001464199736 1068653624 /nfs/dbraw/zinc/65/36/24/1068653624.db2.gz CTWTUSNNTGYXCY-IPWVUAKDSA-N 1 1 455.643 4.713 20 0 JJADMO C[C@H](CNC(=O)c1ccccc1NC(=O)c1cccc(Br)c1)[N@H+]1CCCC[C@@H]1C ZINC001464201007 1068654276 /nfs/dbraw/zinc/65/42/76/1068654276.db2.gz QVYUPXOLIZGDEF-DLBZAZTESA-N 1 1 458.400 4.694 20 0 JJADMO Cc1ccc2nc(COc3ccccc3C(=O)NCc3ccccc3C[N@H+](C)C(C)C)cn2c1 ZINC001464201143 1068654890 /nfs/dbraw/zinc/65/48/90/1068654890.db2.gz WYWRBAJUMUIPKG-UHFFFAOYSA-N 1 1 456.590 4.992 20 0 JJADMO CC(C)CCC(=O)NCC(=O)NC[C@@H](c1ccc(C(C)C)cc1)[N@@H+]1CCc2sccc2C1 ZINC001464202797 1068654966 /nfs/dbraw/zinc/65/49/66/1068654966.db2.gz AQJWQQMMQWRERG-QHCPKHFHSA-N 1 1 455.668 4.640 20 0 JJADMO CC(C)CCC(=O)NCC(=O)NC[C@@H](c1ccc(C(C)C)cc1)[N@H+]1CCc2sccc2C1 ZINC001464202797 1068654970 /nfs/dbraw/zinc/65/49/70/1068654970.db2.gz AQJWQQMMQWRERG-QHCPKHFHSA-N 1 1 455.668 4.640 20 0 JJADMO Cc1ccc(S(=O)(=O)N[C@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)cc1C(F)(F)F ZINC001464204938 1068656117 /nfs/dbraw/zinc/65/61/17/1068656117.db2.gz ICJZYPJWCORZPU-QGZVFWFLSA-N 1 1 454.436 4.614 20 0 JJADMO CCn1c2ccccc2nc1SCC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001464217960 1068661806 /nfs/dbraw/zinc/66/18/06/1068661806.db2.gz RWOHMUUGVDCKHS-BGYRXZFFSA-N 1 1 450.652 4.943 20 0 JJADMO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1O ZINC001464230188 1068666392 /nfs/dbraw/zinc/66/63/92/1068666392.db2.gz WASLZUMLHQTAMZ-HNNXBMFYSA-N 1 1 450.004 4.744 20 0 JJADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1O ZINC001464230188 1068666399 /nfs/dbraw/zinc/66/63/99/1068666399.db2.gz WASLZUMLHQTAMZ-HNNXBMFYSA-N 1 1 450.004 4.744 20 0 JJADMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)CCCCc2ccc(C(C)(C)C)cc2)CC1 ZINC001464229582 1068666502 /nfs/dbraw/zinc/66/65/02/1068666502.db2.gz JJCGHEQRZFFOSQ-UHFFFAOYSA-N 1 1 459.675 4.756 20 0 JJADMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001464230830 1068667058 /nfs/dbraw/zinc/66/70/58/1068667058.db2.gz KLCAWYBTRIXBCY-DLBZAZTESA-N 1 1 450.764 4.646 20 0 JJADMO C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001464234099 1068667824 /nfs/dbraw/zinc/66/78/24/1068667824.db2.gz IYUAHWWBLIEUNG-CLOONOSVSA-N 1 1 451.586 4.981 20 0 JJADMO C[C@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001464239233 1068670582 /nfs/dbraw/zinc/67/05/82/1068670582.db2.gz SBCVYHXTYKMSET-SIKLNZKXSA-N 1 1 451.586 4.839 20 0 JJADMO CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC001464258185 1068678417 /nfs/dbraw/zinc/67/84/17/1068678417.db2.gz SPTKAIDGXNZUQI-ZCYQVOJMSA-N 1 1 457.014 4.918 20 0 JJADMO CC(C)OCc1ccc(NC(=O)[C@@H](C[N@@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC001464422882 1068740404 /nfs/dbraw/zinc/74/04/04/1068740404.db2.gz YCWAWFWLDQOXJZ-HSZRJFAPSA-N 1 1 455.599 4.575 20 0 JJADMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)c1 ZINC001464458752 1068753792 /nfs/dbraw/zinc/75/37/92/1068753792.db2.gz FGJWLFUHMWXHNC-UHFFFAOYSA-N 1 1 455.400 4.633 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001464462065 1068755446 /nfs/dbraw/zinc/75/54/46/1068755446.db2.gz FRYGZAREHKNBSI-HDICACEKSA-N 1 1 453.652 4.975 20 0 JJADMO COc1cc(Cl)c(Cl)cc1C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC001464479584 1068761415 /nfs/dbraw/zinc/76/14/15/1068761415.db2.gz VMAQCZCEVBUYDE-UHFFFAOYSA-N 1 1 456.801 4.598 20 0 JJADMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)C1 ZINC001464544245 1068777354 /nfs/dbraw/zinc/77/73/54/1068777354.db2.gz JOLZQBJUXMAKRE-INIZCTEOSA-N 1 1 453.384 4.521 20 0 JJADMO C[C@@]1(NS(=O)(=O)/C=C\c2ccc(F)cc2)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001464693055 1068827671 /nfs/dbraw/zinc/82/76/71/1068827671.db2.gz VDMTXEALLDAEER-UHMUAYDHSA-N 1 1 450.579 4.774 20 0 JJADMO FC1(F)CO[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5cccs5)c43)C[C@@H]21 ZINC001164426312 718929588 /nfs/dbraw/zinc/92/95/88/718929588.db2.gz ZNYYWCVEFIIOJB-JKSUJKDBSA-N 1 1 462.591 4.876 20 0 JJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)OCC(=O)N(Cc2cccc(C)n2)[C@@H]3C)nc1 ZINC001164427556 718952228 /nfs/dbraw/zinc/95/22/28/718952228.db2.gz FIFKWXCVQMVONM-BVAGGSTKSA-N 1 1 491.680 4.509 20 0 JJADMO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164629871 719101685 /nfs/dbraw/zinc/10/16/85/719101685.db2.gz TZAOTUQRXUFJQE-UYAOXDASSA-N 1 1 455.940 4.838 20 0 JJADMO CSCc1nc2sc3c(c2c(N2CCc4c(C[NH+](C)C)nn(C(C)C)c4C2)n1)CCCC3 ZINC001164651333 719315011 /nfs/dbraw/zinc/31/50/11/719315011.db2.gz JCBWKWKCTZJFDB-UHFFFAOYSA-N 1 1 470.712 4.835 20 0 JJADMO CCOC[C@@H]1CN(c2nc(C[NH+](CC)CC)nc3sc(C)c(C)c32)Cc2nn(CC3CC3)cc21 ZINC001164663091 719363808 /nfs/dbraw/zinc/36/38/08/719363808.db2.gz IDIDBLCXASHGFS-FQEVSTJZSA-N 1 1 482.698 4.897 20 0 JJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncnc4c2ccn4Cc2ccccc2)CC3)cs1 ZINC001164694398 719809809 /nfs/dbraw/zinc/80/98/09/719809809.db2.gz WXDKQHRHNYCLGP-UHFFFAOYSA-N 1 1 458.635 4.880 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCn4c(-c5ccc(C(N)=O)cc5)cnc43)CC2)nc1 ZINC001164697384 719830713 /nfs/dbraw/zinc/83/07/13/719830713.db2.gz NXISMNAGGUBOCX-RUZDIDTESA-N 1 1 498.675 4.923 20 0 JJADMO C[C@H]1CCc2c(sc3ncnc(N4CCC5(CC4)C[N@@H+](Cc4cccs4)CCO5)c32)C1 ZINC001164694694 719892361 /nfs/dbraw/zinc/89/23/61/719892361.db2.gz CICZPRDVXZIHPK-KRWDZBQOSA-N 1 1 454.665 4.749 20 0 JJADMO O=C(c1ccccc1)n1ccc2ccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nc21 ZINC001164696987 719896952 /nfs/dbraw/zinc/89/69/52/719896952.db2.gz ISBDJKVWPKLNNM-UHFFFAOYSA-N 1 1 472.614 4.658 20 0 JJADMO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164699101 719897853 /nfs/dbraw/zinc/89/78/53/719897853.db2.gz XDIGNMALRQMOAS-UHFFFAOYSA-N 1 1 474.989 4.994 20 0 JJADMO COc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164706799 719906714 /nfs/dbraw/zinc/90/67/14/719906714.db2.gz KLUHCLYNVKIUEG-UHFFFAOYSA-N 1 1 487.025 4.864 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccc3F)nc3ccc(F)cc31)C2 ZINC001164808477 720092161 /nfs/dbraw/zinc/09/21/61/720092161.db2.gz HQTRRLIAGYESDY-XHCCPWGMSA-N 1 1 464.560 4.760 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)C2 ZINC001164815835 720093406 /nfs/dbraw/zinc/09/34/06/720093406.db2.gz ZZOPADVQWHJJQG-OFNKIYASSA-N 1 1 462.972 4.527 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccc3)cc(-c3ccccc3)n1)C2 ZINC001164807474 720094140 /nfs/dbraw/zinc/09/41/40/720094140.db2.gz FSFJQXVHXPFBPX-ABYGYWHVSA-N 1 1 454.618 4.995 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccc3)cc(-c3ccccc3)n1)C2 ZINC001164807480 720094443 /nfs/dbraw/zinc/09/44/43/720094443.db2.gz FSFJQXVHXPFBPX-IRPSRAIASA-N 1 1 454.618 4.995 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(Cl)nc1Cl)CC2 ZINC001164711098 720096564 /nfs/dbraw/zinc/09/65/64/720096564.db2.gz OBTDCDBCSYJIPE-QGZVFWFLSA-N 1 1 471.379 4.836 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)nc(Cl)c1)CC2 ZINC001164711075 720096832 /nfs/dbraw/zinc/09/68/32/720096832.db2.gz NWBQKZJUOMRRLF-GOSISDBHSA-N 1 1 471.379 4.836 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)cc1Cl)CC2 ZINC001164710008 720099419 /nfs/dbraw/zinc/09/94/19/720099419.db2.gz FFQVEKXWDYJWKX-KRWDZBQOSA-N 1 1 471.379 4.836 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(-c3ccnc(Cl)c3)ccn1)CC2 ZINC001164712029 720105933 /nfs/dbraw/zinc/10/59/33/720105933.db2.gz UHWFHQCHYIDSSA-QHCPKHFHSA-N 1 1 464.013 4.700 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1c(Cl)cc(Cl)nc1Cl)CC2 ZINC001164714940 720106161 /nfs/dbraw/zinc/10/61/61/720106161.db2.gz FVDZGELRIIJLIW-MRXNPFEDSA-N 1 1 455.817 4.944 20 0 JJADMO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)CC2 ZINC001164719497 720109215 /nfs/dbraw/zinc/10/92/15/720109215.db2.gz XNIGZZRYXSOAAF-NDEPHWFRSA-N 1 1 497.687 4.542 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)CC2 ZINC001164719497 720109222 /nfs/dbraw/zinc/10/92/22/720109222.db2.gz XNIGZZRYXSOAAF-NDEPHWFRSA-N 1 1 497.687 4.542 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cnc(-c3ccccc3)c(-c3ccccc3)n1)C2 ZINC001164811149 720110276 /nfs/dbraw/zinc/11/02/76/720110276.db2.gz LTRAUUMGGJNBHA-VAVYLYDRSA-N 1 1 454.618 4.995 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc3nc(Cl)cnc3cc1Cl)CC2 ZINC001164714125 720114565 /nfs/dbraw/zinc/11/45/65/720114565.db2.gz ADPRMCFQHDNVMM-GOSISDBHSA-N 1 1 472.420 4.839 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)C2 ZINC001164809718 720125719 /nfs/dbraw/zinc/12/57/19/720125719.db2.gz IMTXQHHBRXLCIC-IERDGZPVSA-N 1 1 471.379 4.666 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3cc(C)c(C)cc3nc1Cl)CC2 ZINC001164719075 720127233 /nfs/dbraw/zinc/12/72/33/720127233.db2.gz VJAHQNFHEAPWMD-OAQYLSRUSA-N 1 1 466.029 4.803 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cncc(Sc3cccc(C)c3)n1)CC2 ZINC001164713975 720134950 /nfs/dbraw/zinc/13/49/50/720134950.db2.gz UPRSKXMYNRNMRR-HSZRJFAPSA-N 1 1 475.662 4.839 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1c(OC)ccc3c(Cl)cc(Cl)nc31)C2 ZINC001164810435 720139901 /nfs/dbraw/zinc/13/99/01/720139901.db2.gz JRPNRIXAIREPKM-QMHKHESXSA-N 1 1 450.410 4.735 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(-c3ccccn3)nc3ccccc31)CC2 ZINC001164714603 720140994 /nfs/dbraw/zinc/14/09/94/720140994.db2.gz XOXXCJFNNXYFMD-HSZRJFAPSA-N 1 1 480.616 4.594 20 0 JJADMO CCc1nc2sc3c(c2c(N2CCC4(C[C@H](COC)[N@@H+](Cc5ccccn5)C4)CC2)n1)CCC3 ZINC001164711711 720141078 /nfs/dbraw/zinc/14/10/78/720141078.db2.gz IGUPFICHEPGVGY-HXUWFJFHSA-N 1 1 477.678 4.645 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nnc(Cl)c3ccc(Cl)cc31)CC2 ZINC001164711758 720149992 /nfs/dbraw/zinc/14/99/92/720149992.db2.gz JTWDUQNBVKLCSH-IBGZPJMESA-N 1 1 472.420 4.839 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(SCc3ccccc3)ncn1)CC2 ZINC001164710383 720150320 /nfs/dbraw/zinc/15/03/20/720150320.db2.gz AGSLPSUXMNXAFT-XMMPIXPASA-N 1 1 475.662 4.671 20 0 JJADMO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164713090 720152731 /nfs/dbraw/zinc/15/27/31/720152731.db2.gz QOFZNHVUEHLIAW-WIYYLYMNSA-N 1 1 458.050 4.854 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C3CCC3)nc(Cl)c1C)CC2 ZINC001164712688 720154672 /nfs/dbraw/zinc/15/46/72/720154672.db2.gz OJBIQEGSDMMHKG-OAQYLSRUSA-N 1 1 456.034 4.608 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc3cccc(F)c31)CC2 ZINC001164711387 720158209 /nfs/dbraw/zinc/15/82/09/720158209.db2.gz BKMFSZSJXDOQNX-FQEVSTJZSA-N 1 1 454.977 4.930 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)C2 ZINC001164815636 720172865 /nfs/dbraw/zinc/17/28/65/720172865.db2.gz IQBSBPMVPMBWFW-XXBNENTESA-N 1 1 462.972 4.527 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)C2 ZINC001164818441 720173000 /nfs/dbraw/zinc/17/30/00/720173000.db2.gz SVAMBPPDRIOUQN-NFBKMPQASA-N 1 1 462.972 4.527 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)C2 ZINC001164818721 720189267 /nfs/dbraw/zinc/18/92/67/720189267.db2.gz UIOMGTIVBNYJHB-NZQKXSOJSA-N 1 1 462.972 4.527 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C)c(Cc3ccc(Cl)cc3)c(C)n1)C2 ZINC001164818736 720192918 /nfs/dbraw/zinc/19/29/18/720192918.db2.gz ULFOBBGBLMNEJI-BKMJKUGQSA-N 1 1 455.046 4.522 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3ccc(OC)cc3)nnc1Cl)C2 ZINC001164811511 720203204 /nfs/dbraw/zinc/20/32/04/720203204.db2.gz JDHPOGCOKPGQQY-CYFREDJKSA-N 1 1 492.998 4.535 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3ccc(C)cc3)nnc1Cl)C2 ZINC001164814584 720203768 /nfs/dbraw/zinc/20/37/68/720203768.db2.gz UUNYPCFCBZLGKL-GBXCKJPGSA-N 1 1 476.999 4.835 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)C2 ZINC001164815262 720204314 /nfs/dbraw/zinc/20/43/14/720204314.db2.gz YAMYNMIOGDVKJS-UZUQRXQVSA-N 1 1 480.962 4.666 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)C2 ZINC001164814579 720205441 /nfs/dbraw/zinc/20/54/41/720205441.db2.gz UNYJOTWJEPDLMD-WZONZLPQSA-N 1 1 454.005 4.734 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)C2 ZINC001164811710 720205781 /nfs/dbraw/zinc/20/57/81/720205781.db2.gz JVQLBBOWCGMFLR-JPYJTQIMSA-N 1 1 480.962 4.666 20 0 JJADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(-c3ccc(Cl)cc3)nc3ccccc31)CCC2 ZINC001164814064 720222912 /nfs/dbraw/zinc/22/29/12/720222912.db2.gz RZRHYFVRSIEDAI-UHFFFAOYSA-N 1 1 489.023 4.757 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](OCc3csc(C)n3)[C@H]3OCCC[C@H]32)nc1 ZINC001164824426 720392535 /nfs/dbraw/zinc/39/25/35/720392535.db2.gz RPCHXRWWYLDCRS-AHCIIZGASA-N 1 1 456.656 4.737 20 0 JJADMO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730892 720408246 /nfs/dbraw/zinc/40/82/46/720408246.db2.gz JNSBFXXWLAAXPI-FGZHOGPDSA-N 1 1 480.971 4.966 20 0 JJADMO COC(=O)c1sc2nc(Cc3ccccc3)nc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164730961 720442413 /nfs/dbraw/zinc/44/24/13/720442413.db2.gz KLGSXVRMXCUUMW-VXKWHMMOSA-N 1 1 499.640 4.625 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4scc(-c5cccs5)c43)CC[C@@H]21 ZINC001164833291 720522710 /nfs/dbraw/zinc/52/27/10/720522710.db2.gz CYENEJKMEKMPIS-BJLQDIEVSA-N 1 1 464.664 4.994 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(C(=O)Nc4ccc(Cl)nc4)ccc3F)CC[C@@H]21 ZINC001164834225 720545596 /nfs/dbraw/zinc/54/55/96/720545596.db2.gz CWTZEDLOPMRACB-NWSQWKLXSA-N 1 1 497.018 4.701 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nnc(Cc4ccccc4)c4ccccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164844112 720598540 /nfs/dbraw/zinc/59/85/40/720598540.db2.gz YSMOSXOULCVUTR-FMGHJNRGSA-N 1 1 466.633 4.795 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(-c4ccsc4)nc4ccccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839766 720607478 /nfs/dbraw/zinc/60/74/78/720607478.db2.gz OLZPEDDAERCCLI-ZFGGDYGUSA-N 1 1 458.635 4.933 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839316 720609485 /nfs/dbraw/zinc/60/94/85/720609485.db2.gz NGHZYHZDLHQDOL-ABSDTBQOSA-N 1 1 493.027 4.978 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cnc(Cl)nc3Oc3ccc(F)cc3)CC[C@@H]21 ZINC001164835975 720610322 /nfs/dbraw/zinc/61/03/22/720610322.db2.gz DGVPEXIMAQAJBD-CUWPLCDZSA-N 1 1 470.980 4.636 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836163 720612641 /nfs/dbraw/zinc/61/26/41/720612641.db2.gz DYXOIFQPAYWQHJ-IEIRFRATSA-N 1 1 486.998 4.916 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(F)ccc3-c3ccc(Cl)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838849 720621777 /nfs/dbraw/zinc/62/17/77/720621777.db2.gz MAUREGJNADPLEH-ZWCUEREDSA-N 1 1 454.981 4.510 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(-c4cccc5ccccc54)nn3)CC[C@@H]21 ZINC001164839494 720622440 /nfs/dbraw/zinc/62/24/40/720622440.db2.gz NLOWOPKLOOIBRJ-KHVXQDHOSA-N 1 1 452.606 4.871 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835163 720622587 /nfs/dbraw/zinc/62/25/87/720622587.db2.gz AFIDTIZHCIXJQH-IEIRFRATSA-N 1 1 486.998 4.916 20 0 JJADMO COc1cccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)n2)c1 ZINC001164836573 720623610 /nfs/dbraw/zinc/62/36/10/720623610.db2.gz FUSROWKLSCJDJQ-AZSVPQILSA-N 1 1 482.632 4.880 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164843154 720634263 /nfs/dbraw/zinc/63/42/63/720634263.db2.gz WYQXNKORCIDRML-YQQAZPJKSA-N 1 1 477.909 4.873 20 0 JJADMO Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164842763 720640113 /nfs/dbraw/zinc/64/01/13/720640113.db2.gz VMELROWVUSOTGC-TUNNFDKTSA-N 1 1 467.017 4.805 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cnc(Cl)nc3Oc3ccccc3F)CC[C@@H]21 ZINC001164839252 720640600 /nfs/dbraw/zinc/64/06/00/720640600.db2.gz MWGXDSXJKYLXOD-HBFSDRIKSA-N 1 1 470.980 4.636 20 0 JJADMO COCc1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(-c2ccccc2)n1 ZINC001164836946 720664569 /nfs/dbraw/zinc/66/45/69/720664569.db2.gz AIAUOZTVZLXFKD-RUZDIDTESA-N 1 1 458.606 4.550 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1nc(Cl)cc(N3CCCC3)n1)CC2 ZINC001164843739 720670308 /nfs/dbraw/zinc/67/03/08/720670308.db2.gz XIUJJFHBGCIHPO-FQEVSTJZSA-N 1 1 492.014 4.535 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1nc(Cl)ncc1Cl)CC2 ZINC001164840505 720675106 /nfs/dbraw/zinc/67/51/06/720675106.db2.gz MWUWSNQWHZQKRZ-MRXNPFEDSA-N 1 1 457.352 4.588 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccnc1C1SCCCS1)CC2 ZINC001164841059 720678393 /nfs/dbraw/zinc/67/83/93/720678393.db2.gz HIYDTWXGPQZQET-HXUWFJFHSA-N 1 1 456.681 4.605 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc3cc(F)c(F)cc3nc1Cl)CC2 ZINC001164844785 720684197 /nfs/dbraw/zinc/68/41/97/720684197.db2.gz UULOINLDRUMAKH-KRWDZBQOSA-N 1 1 458.940 4.821 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)ncc1OCc1ccccc1)CC2 ZINC001164841924 720693170 /nfs/dbraw/zinc/69/31/70/720693170.db2.gz KEOJKPCFEADPMP-QHCPKHFHSA-N 1 1 479.024 4.969 20 0 JJADMO COc1cc2nc(Cl)c(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nc2cc1OC ZINC001164841862 720693643 /nfs/dbraw/zinc/69/36/43/720693643.db2.gz JOJNESVLNUKNJA-LJQANCHMSA-N 1 1 483.012 4.560 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(-c3ccccn3)nc3ccccc31)CC2 ZINC001164842837 720711497 /nfs/dbraw/zinc/71/14/97/720711497.db2.gz ZETRCUNZFFPJPG-QHCPKHFHSA-N 1 1 465.601 4.952 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(C(=O)N3CCCCC3)cc1Cl)CC2 ZINC001164842864 720715618 /nfs/dbraw/zinc/71/56/18/720715618.db2.gz ZOCVWCQFGHRADL-HSZRJFAPSA-N 1 1 483.056 4.621 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)Cc1nc3c(ncnc3Cl)s1)CC2 ZINC001164836900 720729348 /nfs/dbraw/zinc/72/93/48/720729348.db2.gz IEBBWAIVYPJICI-QGZVFWFLSA-N 1 1 494.011 4.631 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)Cc1nc3c(ncnc3Cl)s1)CC2 ZINC001164836899 720729480 /nfs/dbraw/zinc/72/94/80/720729480.db2.gz IEBBWAIVYPJICI-KRWDZBQOSA-N 1 1 494.011 4.631 20 0 JJADMO CC[C@@H]1N(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CC[C@H](C)C4)CCC[C@@]12CCC(=O)N2 ZINC001164850484 720754935 /nfs/dbraw/zinc/75/49/35/720754935.db2.gz XALGPKNFSIXGSD-INXRYCJYSA-N 1 1 481.710 4.830 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4[C@H]3CCC(=O)N4c3ccccc3)c2c1C ZINC001164848543 720766514 /nfs/dbraw/zinc/76/65/14/720766514.db2.gz PWRQMPXEJONPHE-NHCUHLMSSA-N 1 1 461.635 4.678 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]4[C@@H]3CCC(=O)N4c3ccccc3)c2c1C ZINC001164848562 720766577 /nfs/dbraw/zinc/76/65/77/720766577.db2.gz PWRQMPXEJONPHE-SFTDATJTSA-N 1 1 461.635 4.678 20 0 JJADMO FC(F)(c1cnc(Cl)c(-c2ccc(Cl)cc2)c1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164749778 720806642 /nfs/dbraw/zinc/80/66/42/720806642.db2.gz UODUWPQINVOIDL-OALUTQOASA-N 1 1 492.357 4.732 20 0 JJADMO FC(F)(c1cnc(Cl)c(-c2ccc(Cl)cc2)c1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164749778 720806645 /nfs/dbraw/zinc/80/66/45/720806645.db2.gz UODUWPQINVOIDL-OALUTQOASA-N 1 1 492.357 4.732 20 0 JJADMO Cc1cccc(CN2CC[C@]3(CCN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C3)C2=O)c1 ZINC001164854171 720806834 /nfs/dbraw/zinc/80/68/34/720806834.db2.gz UCUMGUMKZMGKCE-SSEXGKCCSA-N 1 1 466.629 4.577 20 0 JJADMO Cc1ccc2nc(-c3ccccc3F)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164742451 720834802 /nfs/dbraw/zinc/83/48/02/720834802.db2.gz GNJUHEUZKAERAA-BCQCSXDESA-N 1 1 497.622 4.715 20 0 JJADMO Cc1ccc2nc(-c3ccccc3F)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164742454 720834947 /nfs/dbraw/zinc/83/49/47/720834947.db2.gz GNJUHEUZKAERAA-OREGWCPLSA-N 1 1 497.622 4.715 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c3ccccc32)cc1C ZINC001164747925 720846952 /nfs/dbraw/zinc/84/69/52/720846952.db2.gz RZIVOSKMZUQGLT-CERRFVOPSA-N 1 1 493.659 4.885 20 0 JJADMO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)s1 ZINC001164740563 720851058 /nfs/dbraw/zinc/85/10/58/720851058.db2.gz CTOJXHHKDSTBHH-AWRGLXIESA-N 1 1 485.661 4.638 20 0 JJADMO c1csc(-c2nc(-c3ccccc3)cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)c1 ZINC001164753086 720851624 /nfs/dbraw/zinc/85/16/24/720851624.db2.gz WIGGRJSFVGZRIB-SONWIMMPSA-N 1 1 497.672 4.843 20 0 JJADMO Fc1ccc2nc(Cl)nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164755435 720875132 /nfs/dbraw/zinc/87/51/32/720875132.db2.gz WWUBVFLEBGJWCA-IBVKSMDESA-N 1 1 482.003 4.572 20 0 JJADMO Cc1cc2c(nc(Cl)nc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)s1 ZINC001164751632 720881994 /nfs/dbraw/zinc/88/19/94/720881994.db2.gz DAHMFMBANHZHIZ-CPJSRVTESA-N 1 1 484.069 4.803 20 0 JJADMO Cc1cc2c(nc(Cl)nc2N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)s1 ZINC001164751630 720882317 /nfs/dbraw/zinc/88/23/17/720882317.db2.gz DAHMFMBANHZHIZ-CJFMBICVSA-N 1 1 484.069 4.803 20 0 JJADMO COCC[N@H+]1CCO[C@@H]2CN(c3nnc(-c4ccc(Cl)c(Cl)c4)c4ccccc43)CC[C@H]2C1 ZINC001164863903 720882604 /nfs/dbraw/zinc/88/26/04/720882604.db2.gz UYOFKQAVFUDSKM-FDDCHVKYSA-N 1 1 487.431 4.777 20 0 JJADMO CSc1cc(Cl)ncc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757503 720884677 /nfs/dbraw/zinc/88/46/77/720884677.db2.gz VIWLVPNFLKMKCD-GBXCKJPGSA-N 1 1 459.059 4.607 20 0 JJADMO Cc1cccc2c(Cl)nnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164755047 720887847 /nfs/dbraw/zinc/88/78/47/720887847.db2.gz KKMXTKLQPXIJED-WXVAWEFUSA-N 1 1 478.040 4.742 20 0 JJADMO Fc1ccc(Cl)nc1C(F)(F)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750902 720888081 /nfs/dbraw/zinc/88/80/81/720888081.db2.gz CCRATUZWGFJIDP-WMZHIEFXSA-N 1 1 480.962 4.569 20 0 JJADMO Fc1ccc(Cl)nc1C(F)(F)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750906 720888249 /nfs/dbraw/zinc/88/82/49/720888249.db2.gz CCRATUZWGFJIDP-XXBNENTESA-N 1 1 480.962 4.569 20 0 JJADMO Fc1ccc(Cl)nc1C(F)(F)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750884 720888428 /nfs/dbraw/zinc/88/84/28/720888428.db2.gz CCRATUZWGFJIDP-AUSIDOKSSA-N 1 1 480.962 4.569 20 0 JJADMO Fc1cnc(Cl)cc1C(F)(F)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164756052 720889065 /nfs/dbraw/zinc/88/90/65/720889065.db2.gz OHBVJNUNSFAEQJ-CVDCTZTESA-N 1 1 480.962 4.569 20 0 JJADMO Clc1ncc(-c2ccccc2)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755366 720891359 /nfs/dbraw/zinc/89/13/59/720891359.db2.gz LLCVUVQUEGCZDJ-YWEHKCAJSA-N 1 1 490.051 4.947 20 0 JJADMO CSc1nc2ccccc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755419 720894079 /nfs/dbraw/zinc/89/40/79/720894079.db2.gz MADBKXIFEYAJRS-AJTFRIOCSA-N 1 1 475.662 4.502 20 0 JJADMO Clc1ccccc1-c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164752728 720897432 /nfs/dbraw/zinc/89/74/32/720897432.db2.gz FXPPMOORADCFCS-LXFBAYGMSA-N 1 1 490.051 4.947 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)nc1 ZINC001164859719 720902284 /nfs/dbraw/zinc/90/22/84/720902284.db2.gz PPOPLMDGHLXETL-BXTSTYNKSA-N 1 1 462.638 4.577 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[C@H](NC(=O)c2ccccc2)CCO3)nc1 ZINC001164859721 720902315 /nfs/dbraw/zinc/90/23/15/720902315.db2.gz PPOPLMDGHLXETL-INNMJMHTSA-N 1 1 462.638 4.577 20 0 JJADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749001 720911319 /nfs/dbraw/zinc/91/13/19/720911319.db2.gz HFEIQHARWYNQTP-AMGIVPHBSA-N 1 1 484.088 4.886 20 0 JJADMO c1ccc2c(c1)cc(N1CCCC1)nc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164748521 720916783 /nfs/dbraw/zinc/91/67/83/720916783.db2.gz GRJPDGUQLOEWSS-DHIFEGFHSA-N 1 1 497.687 4.985 20 0 JJADMO c1ccc2c(c1)cc(N1CCCC1)nc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164748521 720916789 /nfs/dbraw/zinc/91/67/89/720916789.db2.gz GRJPDGUQLOEWSS-DHIFEGFHSA-N 1 1 497.687 4.985 20 0 JJADMO Cc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(-c2ccsc2)n1 ZINC001164750155 720920141 /nfs/dbraw/zinc/92/01/41/720920141.db2.gz JMWZPVBJDLIBAN-IGKIAQTJSA-N 1 1 475.662 4.664 20 0 JJADMO CCOc1ccc(-c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)cc1 ZINC001164753771 720922380 /nfs/dbraw/zinc/92/23/80/720922380.db2.gz SUGWXDSEHOTVIE-PDDLMNHVSA-N 1 1 499.659 4.692 20 0 JJADMO Cc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1-c1ccccc1F ZINC001164746534 720935174 /nfs/dbraw/zinc/93/51/74/720935174.db2.gz BKKKLGNNJMIMLN-PWUYWRBVSA-N 1 1 487.623 4.741 20 0 JJADMO CC(C)CN1[C@@H]2CC[N@@H+](C(C)(C)c3ccnc(Cl)c3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001164755536 720972187 /nfs/dbraw/zinc/97/21/87/720972187.db2.gz AEVWROMGBUEYDN-UXHICEINSA-N 1 1 478.058 4.542 20 0 JJADMO CC(C)CN1[C@@H]2CC[N@H+](C(C)(C)c3ccnc(Cl)c3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001164755536 720972193 /nfs/dbraw/zinc/97/21/93/720972193.db2.gz AEVWROMGBUEYDN-UXHICEINSA-N 1 1 478.058 4.542 20 0 JJADMO COc1ccc(-c2csc3ncnc(N4CCn5c(C[N@@H+](C)C(C)C)cnc5[C@H]4C)c23)cc1 ZINC001164857201 721002359 /nfs/dbraw/zinc/00/23/59/721002359.db2.gz DAJLDYFQJLJIEZ-QGZVFWFLSA-N 1 1 462.623 4.985 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)[C@H]2C ZINC001164860335 721010768 /nfs/dbraw/zinc/01/07/68/721010768.db2.gz LJTPFZAJPJQVMV-INIZCTEOSA-N 1 1 460.960 4.960 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc(Cl)nc1C(F)(F)F)[C@H]2C ZINC001164857384 721014831 /nfs/dbraw/zinc/01/48/31/721014831.db2.gz DKSVPINXNCAEJI-LBPRGKRZSA-N 1 1 451.871 4.917 20 0 JJADMO COc1cccc(-c2cc(C(F)(F)N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)c(Cl)nn2)c1 ZINC001164859462 721022657 /nfs/dbraw/zinc/02/26/57/721022657.db2.gz IENNGVWADNLBLV-INIZCTEOSA-N 1 1 490.986 4.968 20 0 JJADMO Fc1cccc(-c2cc(C(F)(F)N3CCc4[nH+]cc(Cn5cccn5)n4CC3)cnc2Cl)c1 ZINC001164861200 721033838 /nfs/dbraw/zinc/03/38/38/721033838.db2.gz FAMXSLXCNYVHAT-UHFFFAOYSA-N 1 1 472.902 4.590 20 0 JJADMO c1ccc(-c2cc(-c3ccccc3)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164867814 721068460 /nfs/dbraw/zinc/06/84/60/721068460.db2.gz KMSQFDLJAJNMLR-UIOOFZCWSA-N 1 1 463.585 4.685 20 0 JJADMO c1ccc(-c2cc(-c3ccccc3)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164867812 721069078 /nfs/dbraw/zinc/06/90/78/721069078.db2.gz KMSQFDLJAJNMLR-IZZNHLLZSA-N 1 1 463.585 4.685 20 0 JJADMO Cc1ccc(-c2csc3ncnc(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@H]5C4)c23)cc1 ZINC001164867690 721076450 /nfs/dbraw/zinc/07/64/50/721076450.db2.gz ZOGVEIPVXPDEIL-VXKWHMMOSA-N 1 1 457.603 4.541 20 0 JJADMO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866645 721078564 /nfs/dbraw/zinc/07/85/64/721078564.db2.gz UKFIPFWYPBJUTA-ZWKOTPCHSA-N 1 1 479.358 4.961 20 0 JJADMO Clc1ccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164865683 721085223 /nfs/dbraw/zinc/08/52/23/721085223.db2.gz OGZMMXVLZGBRNW-GOTSBHOMSA-N 1 1 471.992 4.825 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5ccc(F)cc5)nc5ccc(Cl)cc54)C[C@@H]3C2)cn1 ZINC001164772191 721100945 /nfs/dbraw/zinc/10/09/45/721100945.db2.gz USJGUILZEMCVQF-UXHICEINSA-N 1 1 476.987 4.781 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5ccccc5F)nc5ccc(Cl)cc54)C[C@@H]3C2)cn1 ZINC001164767417 721101769 /nfs/dbraw/zinc/10/17/69/721101769.db2.gz LSCFQPVYOZCCCR-MOPGFXCFSA-N 1 1 476.987 4.781 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5ccc(Cl)cc5)nc5ccccc54)C[C@@H]3C2)cn1 ZINC001164773812 721127694 /nfs/dbraw/zinc/12/76/94/721127694.db2.gz ZCZNQRYGQWINOS-RTWAWAEBSA-N 1 1 458.997 4.642 20 0 JJADMO c1cncc(CO[C@H]2C[C@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCCC6)CC[N@H+]3C2)c1 ZINC001164870314 721139057 /nfs/dbraw/zinc/13/90/57/721139057.db2.gz CMJSOEXTSWGZCW-VXKWHMMOSA-N 1 1 498.656 4.507 20 0 JJADMO Clc1ccc(-c2csc3ncnc(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)c23)cc1 ZINC001164872106 721140184 /nfs/dbraw/zinc/14/01/84/721140184.db2.gz GQODPWVYGUAITD-RTWAWAEBSA-N 1 1 478.021 4.886 20 0 JJADMO Clc1ccc(-c2csc3ncnc(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@H]5C4)c23)cc1 ZINC001164872101 721140558 /nfs/dbraw/zinc/14/05/58/721140558.db2.gz GQODPWVYGUAITD-LEWJYISDSA-N 1 1 478.021 4.886 20 0 JJADMO Clc1ccc(-c2cc3ncnc(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)c3s2)cc1 ZINC001164878428 721141468 /nfs/dbraw/zinc/14/14/68/721141468.db2.gz QCLLJDPUEDWNMH-NHCUHLMSSA-N 1 1 478.021 4.886 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c3ccccc32)cc1C ZINC001164878891 721141722 /nfs/dbraw/zinc/14/17/22/721141722.db2.gz QTYGHDNZUXZVBZ-JWQCQUIFSA-N 1 1 465.601 4.788 20 0 JJADMO Fc1ccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)cnc2Cl)cc1 ZINC001164871080 721169853 /nfs/dbraw/zinc/16/98/53/721169853.db2.gz DIBUTTQHHTVRBF-YADHBBJMSA-N 1 1 488.941 4.961 20 0 JJADMO Fc1ccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)cnc2Cl)cc1 ZINC001164871077 721169976 /nfs/dbraw/zinc/16/99/76/721169976.db2.gz DIBUTTQHHTVRBF-FCHUYYIVSA-N 1 1 488.941 4.961 20 0 JJADMO c1ccc(Oc2ccc(-c3ccc(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)nn3)cc2)cc1 ZINC001164881093 721171782 /nfs/dbraw/zinc/17/17/82/721171782.db2.gz ZAAVGBHCQKQJOO-SHQCIBLASA-N 1 1 479.584 4.811 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc5sc(-c6ccccc6)cc54)C[C@H]3C2)cn1 ZINC001164767656 721172169 /nfs/dbraw/zinc/17/21/69/721172169.db2.gz KHMGGSPMTIGESS-RTBURBONSA-N 1 1 465.026 4.704 20 0 JJADMO Cc1cccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164870179 721193030 /nfs/dbraw/zinc/19/30/30/721193030.db2.gz UDOAMRKVFJQSLW-RTWAWAEBSA-N 1 1 485.966 4.525 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc5ccc(Cl)cc5c(-c5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164764990 721194627 /nfs/dbraw/zinc/19/46/27/721194627.db2.gz HJYXHVHCABCTJV-SFTDATJTSA-N 1 1 458.997 4.642 20 0 JJADMO COc1ccc2c(c1)nc(N1C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C1)cc2-c1ccccc1 ZINC001164767571 721198569 /nfs/dbraw/zinc/19/85/69/721198569.db2.gz JZUHTFUJIYZFBZ-XZOQPEGZSA-N 1 1 453.590 4.602 20 0 JJADMO COc1ccc2c(c1)nc(N1C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C1)cc2-c1ccccc1 ZINC001164767562 721198883 /nfs/dbraw/zinc/19/88/83/721198883.db2.gz JZUHTFUJIYZFBZ-DHIUTWEWSA-N 1 1 453.590 4.602 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncnc5cc(-c6ccc(Cl)cc6)sc54)C[C@@H]3C2)cn1 ZINC001164767790 721200354 /nfs/dbraw/zinc/20/03/54/721200354.db2.gz KPFDTKMKWUOGAI-MOPGFXCFSA-N 1 1 465.026 4.704 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(C5CC5)nc5scc(-c6ccccc6)c54)C[C@H]3C2)cn1 ZINC001164763262 721217352 /nfs/dbraw/zinc/21/73/52/721217352.db2.gz FBKLSJTUVXMNJQ-FCHUYYIVSA-N 1 1 470.646 4.928 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccc(OCc5ccc(Cl)nc5)cc4)C[C@H]3C2)cn1 ZINC001164771859 721217399 /nfs/dbraw/zinc/21/73/99/721217399.db2.gz RKDWAOKLOZSXCY-NHCUHLMSSA-N 1 1 487.982 4.551 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(-c5ccc(-c6ccccc6)cc5)nn4)C[C@H]3C2)cn1 ZINC001164761325 721217725 /nfs/dbraw/zinc/21/77/25/721217725.db2.gz AMAYJGBDJOTCEO-IZZNHLLZSA-N 1 1 450.590 4.502 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(F)c5)c4)C[C@@H]3C2)cn1 ZINC001164773847 721225254 /nfs/dbraw/zinc/22/52/54/721225254.db2.gz XJUQZDLGACZVMD-OALUTQOASA-N 1 1 475.946 4.778 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(F)c5)c4)C[C@@H]3C2)cn1 ZINC001164773846 721225829 /nfs/dbraw/zinc/22/58/29/721225829.db2.gz XJUQZDLGACZVMD-MOPGFXCFSA-N 1 1 475.946 4.778 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(-c5ccc(Oc6ccccc6)cc5)nn4)C[C@H]3C2)cn1 ZINC001164762571 721227711 /nfs/dbraw/zinc/22/77/11/721227711.db2.gz LFIBMMZJXMRNFL-DNQXCXABSA-N 1 1 466.589 4.628 20 0 JJADMO C[C@@H]1c2ncc(COCC3CC3)n2CCN1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164875862 721242571 /nfs/dbraw/zinc/24/25/71/721242571.db2.gz XUNLVGMVIKIWCM-GOSISDBHSA-N 1 1 492.693 4.870 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccs5)c4)C[C@@H]3C2)cn1 ZINC001164761464 721248903 /nfs/dbraw/zinc/24/89/03/721248903.db2.gz IMXIDCLBSAKNES-IRXDYDNUSA-N 1 1 463.985 4.700 20 0 JJADMO O=C1CCC2(CCN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)CC2)N1CC1CC1 ZINC001164775592 721306797 /nfs/dbraw/zinc/30/67/97/721306797.db2.gz GCGHCLGLVJOSFL-UHFFFAOYSA-N 1 1 479.694 4.537 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCO[C@@H]4C[C@H](COc5ccccn5)C[C@H]43)c2c1C ZINC001164879520 721314001 /nfs/dbraw/zinc/31/40/01/721314001.db2.gz NEIKDSLPLVDOEP-YPAWHYETSA-N 1 1 493.677 4.752 20 0 JJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)n1 ZINC001164880779 721319292 /nfs/dbraw/zinc/31/92/92/721319292.db2.gz ZISAFPXVWCZKAF-HSZRJFAPSA-N 1 1 497.668 4.920 20 0 JJADMO Cc1cccc(N(c2ccc3c(n2)CCN(Cc2ccccc2)C3)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164777410 721329311 /nfs/dbraw/zinc/32/93/11/721329311.db2.gz MZTLFIAWPOVMNI-GGXMVOPNSA-N 1 1 454.618 4.607 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCN(C(=O)c4cscn4)C3)CC2)nc1 ZINC001164874696 721329579 /nfs/dbraw/zinc/32/95/79/721329579.db2.gz HVARQOMZPUGJPO-JOCHJYFZSA-N 1 1 453.656 4.608 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4sc(C(C)C)cc43)C2)C1 ZINC001164778750 721332129 /nfs/dbraw/zinc/33/21/29/721332129.db2.gz YBJFDZMBZAQHDM-XMMPIXPASA-N 1 1 455.628 4.539 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c(Cl)c3)C2)C1 ZINC001164778453 721334381 /nfs/dbraw/zinc/33/43/81/721334381.db2.gz XCKLVPQNGIGTEV-HXUWFJFHSA-N 1 1 475.367 4.657 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c(Cl)c3)C2)C1 ZINC001164778453 721334387 /nfs/dbraw/zinc/33/43/87/721334387.db2.gz XCKLVPQNGIGTEV-HXUWFJFHSA-N 1 1 475.367 4.657 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc4ccsc4c(Cl)n3)C2)C1 ZINC001164778767 721340545 /nfs/dbraw/zinc/34/05/45/721340545.db2.gz OLHRCPZVXMWKCS-NRFANRHFSA-N 1 1 497.999 4.613 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc4ccsc4c(Cl)n3)C2)C1 ZINC001164778767 721340548 /nfs/dbraw/zinc/34/05/48/721340548.db2.gz OLHRCPZVXMWKCS-NRFANRHFSA-N 1 1 497.999 4.613 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4ncc(Cl)nc4c3)C2)C1 ZINC001164779432 721340561 /nfs/dbraw/zinc/34/05/61/721340561.db2.gz TUUUWKVPNJUHNC-HSZRJFAPSA-N 1 1 491.970 4.552 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4ncc(Cl)nc4c3)C2)C1 ZINC001164779432 721340565 /nfs/dbraw/zinc/34/05/65/721340565.db2.gz TUUUWKVPNJUHNC-HSZRJFAPSA-N 1 1 491.970 4.552 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc4ccc(Cl)cc4nc3Cl)C2)C1 ZINC001164778771 721344819 /nfs/dbraw/zinc/34/48/19/721344819.db2.gz OLNUEAKEPWKUQZ-HSZRJFAPSA-N 1 1 476.408 4.660 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc4ccc(Cl)cc4nc3Cl)C2)C1 ZINC001164778771 721344822 /nfs/dbraw/zinc/34/48/22/721344822.db2.gz OLNUEAKEPWKUQZ-HSZRJFAPSA-N 1 1 476.408 4.660 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4ncnc(Cl)c4c3)C2)C1 ZINC001164777839 721345163 /nfs/dbraw/zinc/34/51/63/721345163.db2.gz IRIOLBOQKRHHMV-QHCPKHFHSA-N 1 1 491.970 4.552 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4ncnc(Cl)c4c3)C2)C1 ZINC001164777839 721345166 /nfs/dbraw/zinc/34/51/66/721345166.db2.gz IRIOLBOQKRHHMV-QHCPKHFHSA-N 1 1 491.970 4.552 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4cc(Cl)ccc43)C2)C1 ZINC001164777419 721349762 /nfs/dbraw/zinc/34/97/62/721349762.db2.gz GXNFNFFZKJKJKC-HSZRJFAPSA-N 1 1 476.408 4.660 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc4c(C)ccc(F)c4cc3C)C2)C1 ZINC001164782940 721357501 /nfs/dbraw/zinc/35/75/01/721357501.db2.gz NWKLEGLGSWFIDL-SANMLTNESA-N 1 1 452.574 4.715 20 0 JJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3[C@H]2CC(=O)N3c2ccsc2)n1 ZINC001164882573 721359358 /nfs/dbraw/zinc/35/93/58/721359358.db2.gz JSRWBZSOOJQWJS-WOJBJXKFSA-N 1 1 475.643 4.866 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc4cc(C)ccc43)C2)C1 ZINC001164786066 721359997 /nfs/dbraw/zinc/35/99/97/721359997.db2.gz VOCAAAAZAVHJPB-VWLOTQADSA-N 1 1 455.002 4.920 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nnc(Cc4ccccc4)c4ccccc43)C2)C1 ZINC001164780289 721365657 /nfs/dbraw/zinc/36/56/57/721365657.db2.gz FPBSRTWIMNSRPE-PMERELPUSA-N 1 1 497.643 4.944 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncccc3OCc3ccc(F)cc3)C2)C1 ZINC001164781631 721369518 /nfs/dbraw/zinc/36/95/18/721369518.db2.gz KDLWCFSUMYVONP-HHHXNRCGSA-N 1 1 480.584 4.524 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncccc3OCc3ccc(F)cc3)C2)C1 ZINC001164781631 721369522 /nfs/dbraw/zinc/36/95/22/721369522.db2.gz KDLWCFSUMYVONP-HHHXNRCGSA-N 1 1 480.584 4.524 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncccc3OCc3ccc(F)cc3)C2)C1 ZINC001164781633 721370107 /nfs/dbraw/zinc/37/01/07/721370107.db2.gz KDLWCFSUMYVONP-MHZLTWQESA-N 1 1 480.584 4.524 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncccc3OCc3ccc(F)cc3)C2)C1 ZINC001164781633 721370110 /nfs/dbraw/zinc/37/01/10/721370110.db2.gz KDLWCFSUMYVONP-MHZLTWQESA-N 1 1 480.584 4.524 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)C2)C1 ZINC001164781773 721375717 /nfs/dbraw/zinc/37/57/17/721375717.db2.gz KCCVEWUJIZNAQW-JOCHJYFZSA-N 1 1 480.987 4.579 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)C2)C1 ZINC001164781773 721375718 /nfs/dbraw/zinc/37/57/18/721375718.db2.gz KCCVEWUJIZNAQW-JOCHJYFZSA-N 1 1 480.987 4.579 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3c(Cl)ccc4c(Cl)ncnc43)C2)C1 ZINC001164779829 721375980 /nfs/dbraw/zinc/37/59/80/721375980.db2.gz CNFGKMLEYHRCRB-HSZRJFAPSA-N 1 1 476.408 4.660 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)C2)C1 ZINC001164788550 721376924 /nfs/dbraw/zinc/37/69/24/721376924.db2.gz ZUGFUIIBLDUQMI-QFIPXVFZSA-N 1 1 480.987 4.579 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)C2)C1 ZINC001164788550 721376926 /nfs/dbraw/zinc/37/69/26/721376926.db2.gz ZUGFUIIBLDUQMI-QFIPXVFZSA-N 1 1 480.987 4.579 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(-c5ccc(Cl)cc5)nc5ccccc54)C3)O2)CC1 ZINC001164892468 721409511 /nfs/dbraw/zinc/40/95/11/721409511.db2.gz YJBMYLCWTJJNJK-LXFBAYGMSA-N 1 1 492.067 4.716 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5ccccc5)nc5cc(Cl)ccc54)C3)O2)CC1 ZINC001164887710 721419495 /nfs/dbraw/zinc/41/94/95/721419495.db2.gz MNVBXRNOPHPDDI-FIPFOOKPSA-N 1 1 492.067 4.716 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(-c5ccccc5)nc5ccc(Cl)cc54)C3)O2)CC1 ZINC001164887242 721419890 /nfs/dbraw/zinc/41/98/90/721419890.db2.gz LPYPIHVUCSJMCO-NEKDWFFYSA-N 1 1 492.067 4.716 20 0 JJADMO c1csc(C[NH+]2C[C@H]3CN(c4ccc(-c5ccc(Oc6ccccc6)cc5)nn4)C[C@@H]3C2)n1 ZINC001164781231 721433615 /nfs/dbraw/zinc/43/36/15/721433615.db2.gz CNKVQYFGIDUZAX-SFTDATJTSA-N 1 1 455.587 4.961 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1nc(Cl)c3ccccc3n1)CC2 ZINC001164785961 721451616 /nfs/dbraw/zinc/45/16/16/721451616.db2.gz KJSPFEOMTTVHBO-LJQANCHMSA-N 1 1 495.014 4.562 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3cccc(Cl)c31)CC2 ZINC001164790026 721459651 /nfs/dbraw/zinc/45/96/51/721459651.db2.gz ZAKQXMXZTXLOAJ-SFHVURJKSA-N 1 1 479.452 4.671 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)nnc1-c1ccccc1)CC2 ZINC001164786906 721459765 /nfs/dbraw/zinc/45/97/65/721459765.db2.gz QLYVWTCVAPHDAD-QFIPXVFZSA-N 1 1 471.045 4.531 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1c(Cl)ncc(Cl)c1Cl)CC2 ZINC001164787788 721460451 /nfs/dbraw/zinc/46/04/51/721460451.db2.gz SGLMQSUEPULPIK-MRXNPFEDSA-N 1 1 462.849 4.776 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Oc3ccc(SC)cc3)ncn1)CC2 ZINC001164789264 721464140 /nfs/dbraw/zinc/46/41/40/721464140.db2.gz WDJQFNDKLKNPNF-JOCHJYFZSA-N 1 1 498.693 4.725 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3c(Cl)cccc3nc1Cl)CC2 ZINC001164791739 721471387 /nfs/dbraw/zinc/47/13/87/721471387.db2.gz YIBUCHCQKAGOJP-GOSISDBHSA-N 1 1 479.452 4.671 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4cccs4)c32)[C@H]2CCCO[C@H]12 ZINC001164807169 721540722 /nfs/dbraw/zinc/54/07/22/721540722.db2.gz PWGDOIAASNJTGR-JQVVWYNYSA-N 1 1 463.632 4.683 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4cccs4)c32)[C@H]2CCCO[C@H]12 ZINC001164807169 721540726 /nfs/dbraw/zinc/54/07/26/721540726.db2.gz PWGDOIAASNJTGR-JQVVWYNYSA-N 1 1 463.632 4.683 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)[C@H]2CCCO[C@@H]12 ZINC001164803171 721558452 /nfs/dbraw/zinc/55/84/52/721558452.db2.gz JQNAUHNWCXMKLH-XUVXKRRUSA-N 1 1 494.373 4.745 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)[C@H]2CCCO[C@@H]12 ZINC001164803171 721558455 /nfs/dbraw/zinc/55/84/55/721558455.db2.gz JQNAUHNWCXMKLH-XUVXKRRUSA-N 1 1 494.373 4.745 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(-c3ccccc3)n2)[C@@H]2CCCO[C@H]12 ZINC001164800306 721564337 /nfs/dbraw/zinc/56/43/37/721564337.db2.gz DQPDYSSOHBBHLC-VIZSFHNOSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(-c3ccccc3)n2)[C@@H]2CCCO[C@H]12 ZINC001164800306 721564339 /nfs/dbraw/zinc/56/43/39/721564339.db2.gz DQPDYSSOHBBHLC-VIZSFHNOSA-N 1 1 485.966 4.605 20 0 JJADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164809386 721565553 /nfs/dbraw/zinc/56/55/53/721565553.db2.gz WVCZUNBXPIKQJJ-IMWIBFENSA-N 1 1 473.404 4.813 20 0 JJADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164809386 721565555 /nfs/dbraw/zinc/56/55/55/721565555.db2.gz WVCZUNBXPIKQJJ-IMWIBFENSA-N 1 1 473.404 4.813 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)[C@H]2CCCO[C@H]12 ZINC001164805616 721578563 /nfs/dbraw/zinc/57/85/63/721578563.db2.gz LGZOGKXAZKPJEO-FBLLAGFSSA-N 1 1 498.656 4.505 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)[C@H]2CCCO[C@H]12 ZINC001164805616 721578564 /nfs/dbraw/zinc/57/85/64/721578564.db2.gz LGZOGKXAZKPJEO-FBLLAGFSSA-N 1 1 498.656 4.505 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(-c3ccc(F)cc3)c3ccccc32)[C@H]2CCCO[C@H]12 ZINC001164809585 721578864 /nfs/dbraw/zinc/57/88/64/721578864.db2.gz UAJDLUYJNKAAJZ-WEWMWRJBSA-N 1 1 469.564 4.699 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(-c3ccc(F)cc3)c3ccccc32)[C@H]2CCCO[C@H]12 ZINC001164809585 721578868 /nfs/dbraw/zinc/57/88/68/721578868.db2.gz UAJDLUYJNKAAJZ-WEWMWRJBSA-N 1 1 469.564 4.699 20 0 JJADMO Cc1nc2scc(-c3cccs3)c2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164812301 721578947 /nfs/dbraw/zinc/57/89/47/721578947.db2.gz ZYPZHFDUFJUYMC-ZRCGQRJVSA-N 1 1 477.659 4.991 20 0 JJADMO Cc1nc2scc(-c3cccs3)c2c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164812301 721578950 /nfs/dbraw/zinc/57/89/50/721578950.db2.gz ZYPZHFDUFJUYMC-ZRCGQRJVSA-N 1 1 477.659 4.991 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccsc3)nc3ccccc32)[C@H]2CCCO[C@@H]12 ZINC001164799356 721579617 /nfs/dbraw/zinc/57/96/17/721579617.db2.gz AZDFUEPYWXJBGJ-RBZQAINGSA-N 1 1 457.603 4.622 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)[C@H]2CCCO[C@H]12 ZINC001164805227 721580068 /nfs/dbraw/zinc/58/00/68/721580068.db2.gz LAVBXKMLYLPNIO-ZDXQCDESSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)[C@H]2CCCO[C@H]12 ZINC001164805227 721580071 /nfs/dbraw/zinc/58/00/71/721580071.db2.gz LAVBXKMLYLPNIO-ZDXQCDESSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(-c3cccs3)nnc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164799261 721580230 /nfs/dbraw/zinc/58/02/30/721580230.db2.gz AFKSSLZHXKEGAP-SBHAEUEKSA-N 1 1 491.995 4.667 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(-c3cccs3)nnc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164799261 721580232 /nfs/dbraw/zinc/58/02/32/721580232.db2.gz AFKSSLZHXKEGAP-SBHAEUEKSA-N 1 1 491.995 4.667 20 0 JJADMO Cc1nc(-c2ccccc2Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1C ZINC001164811489 721584822 /nfs/dbraw/zinc/58/48/22/721584822.db2.gz XUBIPKIWRIHLOX-HJOGWXRNSA-N 1 1 464.013 4.677 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3c(ccnc3Cl)c2)[C@@H]2CCCO[C@H]12 ZINC001164808230 721585146 /nfs/dbraw/zinc/58/51/46/721585146.db2.gz QBYVVEGGOICOAJ-VSKRKVRLSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3c(ccnc3Cl)c2)[C@@H]2CCCO[C@H]12 ZINC001164808230 721585148 /nfs/dbraw/zinc/58/51/48/721585148.db2.gz QBYVVEGGOICOAJ-VSKRKVRLSA-N 1 1 458.940 4.696 20 0 JJADMO Cc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164802609 721588304 /nfs/dbraw/zinc/58/83/04/721588304.db2.gz HBENBHQIVDRIJJ-ZNZIZOMTSA-N 1 1 478.040 4.601 20 0 JJADMO Cc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164802609 721588305 /nfs/dbraw/zinc/58/83/05/721588305.db2.gz HBENBHQIVDRIJJ-ZNZIZOMTSA-N 1 1 478.040 4.601 20 0 JJADMO Cc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164802608 721588435 /nfs/dbraw/zinc/58/84/35/721588435.db2.gz HBENBHQIVDRIJJ-UODIDJSMSA-N 1 1 478.040 4.601 20 0 JJADMO Cc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164802608 721588436 /nfs/dbraw/zinc/58/84/36/721588436.db2.gz HBENBHQIVDRIJJ-UODIDJSMSA-N 1 1 478.040 4.601 20 0 JJADMO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164810108 721589091 /nfs/dbraw/zinc/58/90/91/721589091.db2.gz UJGKVFZOMJJNGE-SXWKCWPCSA-N 1 1 458.940 4.738 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccc(Cl)cc2)[C@@H]2CCCO[C@H]12 ZINC001164806257 721589956 /nfs/dbraw/zinc/58/99/56/721589956.db2.gz MPVHZIQOQZMZFN-FCEUIQTBSA-N 1 1 486.403 4.839 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccc(Cl)cc2)[C@@H]2CCCO[C@H]12 ZINC001164806257 721589957 /nfs/dbraw/zinc/58/99/57/721589957.db2.gz MPVHZIQOQZMZFN-FCEUIQTBSA-N 1 1 486.403 4.839 20 0 JJADMO CCc1ccc(Oc2nc(Cl)ncc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)cc1 ZINC001164804087 721590147 /nfs/dbraw/zinc/59/01/47/721590147.db2.gz IHIHUWSFOHCISZ-OEMFJLHTSA-N 1 1 480.012 4.748 20 0 JJADMO CCc1ccc(Oc2nc(Cl)ncc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)cc1 ZINC001164804087 721590148 /nfs/dbraw/zinc/59/01/48/721590148.db2.gz IHIHUWSFOHCISZ-OEMFJLHTSA-N 1 1 480.012 4.748 20 0 JJADMO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907473 721700653 /nfs/dbraw/zinc/70/06/53/721700653.db2.gz UCHREAVVDKGPPO-NRFANRHFSA-N 1 1 479.909 4.961 20 0 JJADMO Fc1ccc(Cn2ccc3c2ncnc3N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc1 ZINC001164904974 721710175 /nfs/dbraw/zinc/71/01/75/721710175.db2.gz GDKLWQIDHACTJG-AREMUKBSSA-N 1 1 492.549 4.751 20 0 JJADMO FC1(F)CCN(c2nc(Cl)cc(Cc3ccccc3)n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906125 721716995 /nfs/dbraw/zinc/71/69/95/721716995.db2.gz KBEJYYBZQQVJHY-DEOSSOPVSA-N 1 1 469.967 4.854 20 0 JJADMO FC1(F)CCN(c2nc(Cl)cc(Cc3ccccc3)n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906126 721717541 /nfs/dbraw/zinc/71/75/41/721717541.db2.gz KBEJYYBZQQVJHY-XMMPIXPASA-N 1 1 469.967 4.854 20 0 JJADMO Fc1cccc(Oc2ccnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)c1 ZINC001164908725 721719002 /nfs/dbraw/zinc/71/90/02/721719002.db2.gz YUSCYFLTRUXKPV-HSZRJFAPSA-N 1 1 455.484 4.541 20 0 JJADMO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164905622 721720221 /nfs/dbraw/zinc/72/02/21/721720221.db2.gz IBXYNJYIKHWXPI-GOSISDBHSA-N 1 1 478.321 4.547 20 0 JJADMO FC1(F)CCN(c2ncnc3[nH]c4ccc(Cl)cc4c32)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907375 721720450 /nfs/dbraw/zinc/72/04/50/721720450.db2.gz RGSSNWGNEGKOFP-HSZRJFAPSA-N 1 1 468.939 4.897 20 0 JJADMO Fc1cccc(F)c1-c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164913737 721730413 /nfs/dbraw/zinc/73/04/13/721730413.db2.gz XDDRNBMSTBVWPG-QHCPKHFHSA-N 1 1 457.475 4.555 20 0 JJADMO COc1ccc(Cc2c(C)nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2C)cc1 ZINC001164910756 721734163 /nfs/dbraw/zinc/73/41/63/721734163.db2.gz HRZYFEGVLACLGC-HHHXNRCGSA-N 1 1 493.602 4.826 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(-c3cccnc3)nc3ccccc31)C2 ZINC001164912233 721760813 /nfs/dbraw/zinc/76/08/13/721760813.db2.gz VWBHYIVPLDKMMR-UHFFFAOYSA-N 1 1 462.557 4.875 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(-c3cccnc3)nc3ccccc31)C2 ZINC001164912233 721760818 /nfs/dbraw/zinc/76/08/18/721760818.db2.gz VWBHYIVPLDKMMR-UHFFFAOYSA-N 1 1 462.557 4.875 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc(SCc3ccccc3)n1)C2 ZINC001164911784 721763710 /nfs/dbraw/zinc/76/37/10/721763710.db2.gz RRIGQDGGABTFCK-UHFFFAOYSA-N 1 1 457.603 4.952 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc(SCc3ccccc3)n1)C2 ZINC001164911784 721763711 /nfs/dbraw/zinc/76/37/11/721763711.db2.gz RRIGQDGGABTFCK-UHFFFAOYSA-N 1 1 457.603 4.952 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(-c3ccncc3)nc3sccc31)C2 ZINC001164911440 721763730 /nfs/dbraw/zinc/76/37/30/721763730.db2.gz OXQAPSRGUGTKIU-UHFFFAOYSA-N 1 1 468.586 4.936 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(-c3ccncc3)nc3sccc31)C2 ZINC001164911440 721763733 /nfs/dbraw/zinc/76/37/33/721763733.db2.gz OXQAPSRGUGTKIU-UHFFFAOYSA-N 1 1 468.586 4.936 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)Cc1nc3c(ncnc3Cl)s1)C2 ZINC001164912271 721766723 /nfs/dbraw/zinc/76/67/23/721766723.db2.gz XAEYUTKJRALNRQ-UHFFFAOYSA-N 1 1 490.967 4.553 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)Cc1nc3c(ncnc3Cl)s1)C2 ZINC001164912271 721766727 /nfs/dbraw/zinc/76/67/27/721766727.db2.gz XAEYUTKJRALNRQ-UHFFFAOYSA-N 1 1 490.967 4.553 20 0 JJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)n1 ZINC001165018199 721772642 /nfs/dbraw/zinc/77/26/42/721772642.db2.gz UIIKPKZWMZPPNY-CTNGQTDRSA-N 1 1 487.629 4.754 20 0 JJADMO CSc1nc(Cl)cc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165028545 721802509 /nfs/dbraw/zinc/80/25/09/721802509.db2.gz ZEZRSMUSAIXEIN-XIRDDKMYSA-N 1 1 453.990 4.529 20 0 JJADMO CSc1nc(Cl)cc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165028535 721802521 /nfs/dbraw/zinc/80/25/21/721802521.db2.gz ZEZRSMUSAIXEIN-BHYGNILZSA-N 1 1 453.990 4.529 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3ncn4Cc3ccccc3)C[C@@H]21 ZINC001165018708 721806900 /nfs/dbraw/zinc/80/69/00/721806900.db2.gz BZTYFSNRSADTTM-AKIFATBCSA-N 1 1 488.039 4.660 20 0 JJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)n1 ZINC001164917339 721807651 /nfs/dbraw/zinc/80/76/51/721807651.db2.gz VCYJQRYQUTVGQW-IDISGSTGSA-N 1 1 487.629 4.632 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3ccc4nc(Cl)cnc4c3)C[C@@H]21 ZINC001165019789 721809940 /nfs/dbraw/zinc/80/99/40/721809940.db2.gz BUWQWCUYXYCXDO-XWFZLUIHSA-N 1 1 457.956 4.960 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)C[C@H]21 ZINC001165026770 721826323 /nfs/dbraw/zinc/82/63/23/721826323.db2.gz QCYDLXUVWRGMDS-YFVAEKQCSA-N 1 1 484.982 4.869 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(-c4nc(-c5cccs5)no4)ccn3)C[C@H]21 ZINC001165030135 721827500 /nfs/dbraw/zinc/82/75/00/721827500.db2.gz XXIUMJTWFAROEX-CEMLEFRQSA-N 1 1 472.618 4.992 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cncc(OCc4cccc(Cl)c4)n3)C[C@@H]21 ZINC001165028857 721830136 /nfs/dbraw/zinc/83/01/36/721830136.db2.gz VTDARJAEOLRYCU-NKKJXINNSA-N 1 1 464.013 4.841 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC4(CC3)C(=O)Nc3c4cccc3F)c2c1C ZINC001165023821 721833051 /nfs/dbraw/zinc/83/30/51/721833051.db2.gz VNIAJBATUKJHGI-UHFFFAOYSA-N 1 1 465.598 4.533 20 0 JJADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001164933508 721879023 /nfs/dbraw/zinc/87/90/23/721879023.db2.gz MKMDVYMTMLRVHK-ZEQRLZLVSA-N 1 1 490.721 4.559 20 0 JJADMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001164933508 721879025 /nfs/dbraw/zinc/87/90/25/721879025.db2.gz MKMDVYMTMLRVHK-ZEQRLZLVSA-N 1 1 490.721 4.559 20 0 JJADMO CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3CC[C@@H]4[C@@H]3CCC(=O)N4C)n2)CC1 ZINC001164934933 721893282 /nfs/dbraw/zinc/89/32/82/721893282.db2.gz UMCROLHWDMDEFB-MOPGFXCFSA-N 1 1 481.691 4.851 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)ccc4CN4CCCC4)CC3)C2)cc1 ZINC001164940907 721927458 /nfs/dbraw/zinc/92/74/58/721927458.db2.gz WFSHPAMEXBMBCJ-UHFFFAOYSA-N 1 1 455.046 4.511 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4cc5cc[nH]c5c(Cl)n4)CC3)C2)cc1 ZINC001164940578 721929729 /nfs/dbraw/zinc/92/97/29/721929729.db2.gz UNMGCJXPABUIQU-UHFFFAOYSA-N 1 1 460.956 4.941 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncc(C(=O)N5CCCCC5)cc4Cl)CC3)C2)cc1 ZINC001164940014 721931189 /nfs/dbraw/zinc/93/11/89/721931189.db2.gz POAQXVZJUCBPHB-UHFFFAOYSA-N 1 1 483.056 4.541 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4cc(Cl)nc(-c5ccccn5)n4)CC3)C2)cc1 ZINC001164938673 721931751 /nfs/dbraw/zinc/93/17/51/721931751.db2.gz DGZPNMYFBVQKBQ-UHFFFAOYSA-N 1 1 499.993 4.917 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(-c5ccncc5)nc5sccc54)CC3)C2)cc1 ZINC001164939558 721932750 /nfs/dbraw/zinc/93/27/50/721932750.db2.gz MKGPEMYDCXTCNU-UHFFFAOYSA-N 1 1 471.630 4.933 20 0 JJADMO COC(=O)c1ccc(C(F)(F)N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)c(Cl)n1 ZINC001165045127 721939971 /nfs/dbraw/zinc/93/99/71/721939971.db2.gz UQUXLCQQRXLYHM-UHFFFAOYSA-N 1 1 467.303 4.595 20 0 JJADMO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955269 722021124 /nfs/dbraw/zinc/02/11/24/722021124.db2.gz CNAYJUOSNLXSFP-UHFFFAOYSA-N 1 1 470.955 4.624 20 0 JJADMO COc1ccc2nc(C(F)(F)N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc(Cl)c2c1 ZINC001164955638 722023022 /nfs/dbraw/zinc/02/30/22/722023022.db2.gz LNTWNTHFODMGGO-UHFFFAOYSA-N 1 1 473.955 4.724 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)nc1 ZINC001164963721 722038707 /nfs/dbraw/zinc/03/87/07/722038707.db2.gz RRFOFNGJYTVEOV-HRYKSYLWSA-N 1 1 466.695 4.901 20 0 JJADMO Cc1ccc(N2C[C@]3(CCN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C3)CC2=O)s1 ZINC001164964962 722043802 /nfs/dbraw/zinc/04/38/02/722043802.db2.gz WMXKYLITCDHAFB-HHHXNRCGSA-N 1 1 458.631 4.643 20 0 JJADMO O=C(NC1CCC1)C1C[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@H]2C1 ZINC001164970704 722085533 /nfs/dbraw/zinc/08/55/33/722085533.db2.gz FZGPOABPGNXSAE-WOJBJXKFSA-N 1 1 493.721 4.687 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC4(CC[C@H](C(=O)NCC5CC5)C4)CC3)c2c1C ZINC001164974976 722091760 /nfs/dbraw/zinc/09/17/60/722091760.db2.gz PPPNIVJNKFPXJL-NRFANRHFSA-N 1 1 481.710 4.817 20 0 JJADMO c1csc(-c2csc3ncnc(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@H]5C4)c23)c1 ZINC001164979110 722107727 /nfs/dbraw/zinc/10/77/27/722107727.db2.gz HBYAMRQMWIUATM-ICSRJNTNSA-N 1 1 463.632 4.542 20 0 JJADMO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977425 722111455 /nfs/dbraw/zinc/11/14/55/722111455.db2.gz NBOCDJWJWYICLB-DENIHFKCSA-N 1 1 458.940 4.555 20 0 JJADMO c1ccc(-c2ncc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2-c2ccccc2)cc1 ZINC001164975715 722114429 /nfs/dbraw/zinc/11/44/29/722114429.db2.gz KLRYTBCMXMJADN-RRPNLBNLSA-N 1 1 477.612 4.933 20 0 JJADMO FC(F)(c1cccc2ccnc(Cl)c21)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981179 722126703 /nfs/dbraw/zinc/12/67/03/722126703.db2.gz UCCNWHMXTWSPIS-TZIWHRDSSA-N 1 1 458.940 4.555 20 0 JJADMO FC(F)(c1cccc2c(Cl)nccc21)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984228 722133657 /nfs/dbraw/zinc/13/36/57/722133657.db2.gz WOSZHYHGVHAJTD-GCJKJVERSA-N 1 1 458.940 4.555 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c3ccccc32)cc1 ZINC001164972598 722138646 /nfs/dbraw/zinc/13/86/46/722138646.db2.gz AEOWXQCTLXMBBC-RPLLCQBOSA-N 1 1 465.601 4.728 20 0 JJADMO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)s1 ZINC001164984255 722146064 /nfs/dbraw/zinc/14/60/64/722146064.db2.gz XATMAUYURSOCBL-QPPBQGQZSA-N 1 1 471.630 4.789 20 0 JJADMO c1csc(-c2nc(-c3ccccc3)cc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164984953 722147507 /nfs/dbraw/zinc/14/75/07/722147507.db2.gz YLOFOTDLRQEFJS-ZCYQVOJMSA-N 1 1 483.641 4.994 20 0 JJADMO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164977197 722156436 /nfs/dbraw/zinc/15/64/36/722156436.db2.gz YEVPTYQZNMXSAA-ZJSXRUAMSA-N 1 1 480.012 4.607 20 0 JJADMO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972122 722159037 /nfs/dbraw/zinc/15/90/37/722159037.db2.gz FRXVGZYVRVOGBR-XMSQKQJNSA-N 1 1 474.939 4.662 20 0 JJADMO CN1c2ccccc2[C@@]2(CCN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C2)C1=O ZINC001164979888 722162460 /nfs/dbraw/zinc/16/24/60/722162460.db2.gz LOOKPMROQJKHJX-NDEPHWFRSA-N 1 1 487.673 4.681 20 0 JJADMO CN1c2ccccc2[C@]2(CCN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C2)C1=O ZINC001164979883 722162510 /nfs/dbraw/zinc/16/25/10/722162510.db2.gz LOOKPMROQJKHJX-MUUNZHRXSA-N 1 1 487.673 4.681 20 0 JJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc(Cl)nc4c(Cl)nc(Cl)nc42)C3)c1 ZINC001164994937 722196412 /nfs/dbraw/zinc/19/64/12/722196412.db2.gz QXINFQYZOVIXIJ-HXUWFJFHSA-N 1 1 467.763 4.764 20 0 JJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc(Cl)nc4c2ncn4Cc2ccccc2)C3)c1 ZINC001164994260 722196604 /nfs/dbraw/zinc/19/66/04/722196604.db2.gz MFAOZAQEOOXKEL-SANMLTNESA-N 1 1 476.987 4.912 20 0 JJADMO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994308 722197577 /nfs/dbraw/zinc/19/75/77/722197577.db2.gz MWXMUBGSXIENEK-HSZRJFAPSA-N 1 1 494.945 4.626 20 0 JJADMO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994308 722197579 /nfs/dbraw/zinc/19/75/79/722197579.db2.gz MWXMUBGSXIENEK-HSZRJFAPSA-N 1 1 494.945 4.626 20 0 JJADMO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995961 722205133 /nfs/dbraw/zinc/20/51/33/722205133.db2.gz QMRCDGSOKQAWGU-HHHXNRCGSA-N 1 1 484.616 4.742 20 0 JJADMO c1ccc(C[C@H]2[C@@H](OCC3CC3)CCN2c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)cc1 ZINC001165006082 722271287 /nfs/dbraw/zinc/27/12/87/722271287.db2.gz LSIFAAHKNCPAKE-NSOVKSMOSA-N 1 1 454.618 4.652 20 0 JJADMO c1ccc(C[C@H]2[C@@H](OCC3CC3)CCN2c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC001165006082 722271289 /nfs/dbraw/zinc/27/12/89/722271289.db2.gz LSIFAAHKNCPAKE-NSOVKSMOSA-N 1 1 454.618 4.652 20 0 JJADMO CC(C)c1nnc(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001359711898 1064260366 /nfs/dbraw/zinc/26/03/66/1064260366.db2.gz XAFUHHUSQOZHSU-UHFFFAOYSA-N 1 1 487.092 4.672 20 0 JJADMO CC(C)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001359712489 1064261083 /nfs/dbraw/zinc/26/10/83/1064261083.db2.gz VCKGXHIVJDSZJD-RBBKRZOGSA-N 1 1 474.694 4.502 20 0 JJADMO CC(C)c1nnc(N2CCN(c3cccc(F)c3F)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001359715577 1064263775 /nfs/dbraw/zinc/26/37/75/1064263775.db2.gz FJWSVIMHDBBPJI-FQEVSTJZSA-N 1 1 460.617 4.661 20 0 JJADMO CC(C)c1nnc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001359715741 1064264216 /nfs/dbraw/zinc/26/42/16/1064264216.db2.gz KLIAJKCTTYGZFW-XXBNENTESA-N 1 1 474.644 4.683 20 0 JJADMO CC(C)c1nnc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001359715740 1064264364 /nfs/dbraw/zinc/26/43/64/1064264364.db2.gz KLIAJKCTTYGZFW-WMZHIEFXSA-N 1 1 474.644 4.683 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2Cc3ccoc3CC(C)(C)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001545857420 1064265990 /nfs/dbraw/zinc/26/59/90/1064265990.db2.gz WDNLXJHDOOFGAS-UHFFFAOYSA-N 1 1 484.689 4.500 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(C(C)C)CC2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001545863007 1064271434 /nfs/dbraw/zinc/27/14/34/1064271434.db2.gz ZARVQAKTGLZMKS-UHFFFAOYSA-N 1 1 494.728 4.906 20 0 JJADMO CC(C)[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC001359728838 1064277144 /nfs/dbraw/zinc/27/71/44/1064277144.db2.gz MHCSQUZOWDWNGP-QFIPXVFZSA-N 1 1 489.668 4.686 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccccc3)CC2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001545870189 1064282548 /nfs/dbraw/zinc/28/25/48/1064282548.db2.gz IMTREFGGNQMBAQ-VWLOTQADSA-N 1 1 480.701 4.845 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccccc3C)C2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001545870632 1064285101 /nfs/dbraw/zinc/28/51/01/1064285101.db2.gz SASGIBNYHXQBIG-ISKFKSNPSA-N 1 1 480.701 4.763 20 0 JJADMO CC(C)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(C)C)C1)[NH+]1CCOCC1 ZINC001359731946 1064285511 /nfs/dbraw/zinc/28/55/11/1064285511.db2.gz VMKAHLRLBYQMQA-UPVQGACJSA-N 1 1 474.093 4.752 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3cccc(F)c3)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545870845 1064286455 /nfs/dbraw/zinc/28/64/55/1064286455.db2.gz YAAUGIXMRGZRQJ-XJUOHMSHSA-N 1 1 498.691 4.698 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccsc3)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001545872161 1064287986 /nfs/dbraw/zinc/28/79/86/1064287986.db2.gz IRRWSRZOXCMQGK-OAQYLSRUSA-N 1 1 484.670 4.538 20 0 JJADMO CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001359733845 1064291809 /nfs/dbraw/zinc/29/18/09/1064291809.db2.gz HTQUUHJWWSMCQP-QHCPKHFHSA-N 1 1 453.675 4.978 20 0 JJADMO CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001359733845 1064291826 /nfs/dbraw/zinc/29/18/26/1064291826.db2.gz HTQUUHJWWSMCQP-QHCPKHFHSA-N 1 1 453.675 4.978 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C[C@@H]1CCCC1(C)C ZINC001545875715 1064292057 /nfs/dbraw/zinc/29/20/57/1064292057.db2.gz DXKOTUIWDKNWOY-NRFANRHFSA-N 1 1 460.711 4.579 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C1CC(C(C)(C)C)C1 ZINC001545875914 1064293043 /nfs/dbraw/zinc/29/30/43/1064293043.db2.gz KRAUBZOWZNZPAN-UHFFFAOYSA-N 1 1 460.711 4.750 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001545877514 1064293561 /nfs/dbraw/zinc/29/35/61/1064293561.db2.gz FAORQEZWDLVWFT-IBGZPJMESA-N 1 1 497.515 4.893 20 0 JJADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC001545880357 1064296566 /nfs/dbraw/zinc/29/65/66/1064296566.db2.gz XYZRNFNMQDMJGU-QFBILLFUSA-N 1 1 451.394 4.979 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC3(C2)CCC(F)(F)CC3)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001545884815 1064300957 /nfs/dbraw/zinc/30/09/57/1064300957.db2.gz GDWBGELASIHFNB-FQEVSTJZSA-N 1 1 494.675 4.723 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC3(CCCC3)C2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001545884717 1064301126 /nfs/dbraw/zinc/30/11/26/1064301126.db2.gz BQWYCTLMZRVXAR-JOCHJYFZSA-N 1 1 487.092 4.923 20 0 JJADMO CC(C)[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C(C)C)C1)[NH+]1CCOCC1 ZINC001359738764 1064303181 /nfs/dbraw/zinc/30/31/81/1064303181.db2.gz CLKGPYWMPVGYKE-QZTJIDSGSA-N 1 1 496.519 4.608 20 0 JJADMO CC(C)[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001359739277 1064306688 /nfs/dbraw/zinc/30/66/88/1064306688.db2.gz PEHLQOZSJNZTQQ-HUUCEWRRSA-N 1 1 452.466 4.734 20 0 JJADMO COc1nc(C)ccc1C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC001434875451 1064309537 /nfs/dbraw/zinc/30/95/37/1064309537.db2.gz KUEAFMZVOJXQAV-UHFFFAOYSA-N 1 1 450.970 4.627 20 0 JJADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3NC(=O)OC(C)(C)C)C1 ZINC001434880320 1064312270 /nfs/dbraw/zinc/31/22/70/1064312270.db2.gz BBGZRJBPBFTGBJ-GWPNYTADSA-N 1 1 455.643 4.658 20 0 JJADMO CC(C)[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H](C)[N@@H+](C)C2CC2)CCS1 ZINC001359747770 1064331355 /nfs/dbraw/zinc/33/13/55/1064331355.db2.gz IALWZRQDLINLAY-YWZLYKJASA-N 1 1 496.494 4.907 20 0 JJADMO CC(C)[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)[NH+]2CCOCC2)CCS1 ZINC001359748603 1064335564 /nfs/dbraw/zinc/33/55/64/1064335564.db2.gz ZYFKMAKKUQHQPI-NFBKMPQASA-N 1 1 471.715 4.541 20 0 JJADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)[C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC001434914110 1064340300 /nfs/dbraw/zinc/34/03/00/1064340300.db2.gz SPZRVMJYKUFUSF-NRFANRHFSA-N 1 1 458.002 4.505 20 0 JJADMO Cc1ccc(NC(=O)c2ccc(OCc3ccccc3)cn2)cc1NC(=O)C[NH+]1CCCCC1 ZINC001434914167 1064340413 /nfs/dbraw/zinc/34/04/13/1064340413.db2.gz AIRLKLAYLRPYRS-UHFFFAOYSA-N 1 1 458.562 4.646 20 0 JJADMO O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)c1cc(F)c(C(F)(F)F)c(F)c1 ZINC001434917538 1064344865 /nfs/dbraw/zinc/34/48/65/1064344865.db2.gz AQQINNCKNLXOKY-UHFFFAOYSA-N 1 1 453.411 4.523 20 0 JJADMO Cc1cccc(CNC(=O)c2ccc(C(=O)Nc3ccccc3C[NH+]3CCSCC3)cc2)c1 ZINC001434918529 1064345690 /nfs/dbraw/zinc/34/56/90/1064345690.db2.gz AVEBJMGAJKSROH-UHFFFAOYSA-N 1 1 459.615 4.726 20 0 JJADMO CC(C)[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCC[N@H+](C(C)C)C2)CCS1 ZINC001359755776 1064350905 /nfs/dbraw/zinc/35/09/05/1064350905.db2.gz GKYFCXNVMBPQOT-GSPCLOLRSA-N 1 1 477.763 4.895 20 0 JJADMO CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001359762113 1064374410 /nfs/dbraw/zinc/37/44/10/1064374410.db2.gz QEBMQIGVTLUDQM-FYYLOGMGSA-N 1 1 460.066 4.970 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1ccc(NC(=O)C(F)(F)F)cc1 ZINC001434995960 1064410861 /nfs/dbraw/zinc/41/08/61/1064410861.db2.gz GGUXIIVJMFGDDI-IFMALSPDSA-N 1 1 461.528 4.598 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001359777403 1064421273 /nfs/dbraw/zinc/42/12/73/1064421273.db2.gz JGEUKUAQSLEVTP-PEISPCAHSA-N 1 1 453.675 4.781 20 0 JJADMO CC(C)Cc1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1C[C@@H](c1ccsc1)N(C)C ZINC001359777748 1064422189 /nfs/dbraw/zinc/42/21/89/1064422189.db2.gz QMAPBBJRXZLNGT-VWLOTQADSA-N 1 1 480.726 4.942 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1C[C@@H]1CCCO[C@H]1C(C)C ZINC001359778133 1064423101 /nfs/dbraw/zinc/42/31/01/1064423101.db2.gz ZQHCCDJWDZJDMC-GSLIJJQTSA-N 1 1 453.675 4.639 20 0 JJADMO Cc1cccc(COc2ccc([C@H](C)NC(=O)[C@@H](c3ccccc3)N3CC[NH+](C)CC3)cc2)c1 ZINC001435014711 1064431793 /nfs/dbraw/zinc/43/17/93/1064431793.db2.gz LZUHNCCEZNNPDE-NEKDWFFYSA-N 1 1 457.618 4.740 20 0 JJADMO CC(C)Cc1nnc(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1Cc1ccc(Cl)nc1 ZINC001359783788 1064436080 /nfs/dbraw/zinc/43/60/80/1064436080.db2.gz JUTSLPVIIABJGC-JOCHJYFZSA-N 1 1 453.034 4.532 20 0 JJADMO CC(C)Cc1nnc(N(Cc2ccc(F)cc2F)C2CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359787237 1064442382 /nfs/dbraw/zinc/44/23/82/1064442382.db2.gz XHODEYWTHMZTDF-KDURUIRLSA-N 1 1 475.628 4.812 20 0 JJADMO CC(C)Cc1nnc(N2Cc3ccc(Br)cc3C2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001359791862 1064449375 /nfs/dbraw/zinc/44/93/75/1064449375.db2.gz GZBLNQUOZNPONY-QZTJIDSGSA-N 1 1 460.464 4.880 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@]1(C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001435046616 1064462848 /nfs/dbraw/zinc/46/28/48/1064462848.db2.gz KCJSGJWTKZLEED-HYBUGGRVSA-N 1 1 450.023 4.600 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@]1(C)C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001435046616 1064462860 /nfs/dbraw/zinc/46/28/60/1064462860.db2.gz KCJSGJWTKZLEED-HYBUGGRVSA-N 1 1 450.023 4.600 20 0 JJADMO CC(C)Cc1nnc(N2CCC(c3ccccc3CO)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001359802026 1064469642 /nfs/dbraw/zinc/46/96/42/1064469642.db2.gz GJRMSBCVPWPBFN-HSZRJFAPSA-N 1 1 467.702 4.721 20 0 JJADMO CC(C)Cc1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001359808366 1064480707 /nfs/dbraw/zinc/48/07/07/1064480707.db2.gz NGKPCDRDPGFEII-JTHBVZDNSA-N 1 1 498.682 4.842 20 0 JJADMO CC(C)Cc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CC(C)(C)c1cccc(F)c1 ZINC001359812359 1064489371 /nfs/dbraw/zinc/48/93/71/1064489371.db2.gz LPAVLQIVKSIBRF-UHFFFAOYSA-N 1 1 484.708 4.588 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001359814593 1064492983 /nfs/dbraw/zinc/49/29/83/1064492983.db2.gz KRQCBFYBQBYLGE-NQIIRXRSSA-N 1 1 491.080 4.536 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001359815544 1064496290 /nfs/dbraw/zinc/49/62/90/1064496290.db2.gz OIVGFUCUJLYZEB-AREMUKBSSA-N 1 1 474.093 4.578 20 0 JJADMO CC(C)Cc1nnc(N2CCC(OCc3ccccc3)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001359817461 1064499845 /nfs/dbraw/zinc/49/98/45/1064499845.db2.gz FAYVTQDTZLZTCE-DEOSSOPVSA-N 1 1 453.675 4.783 20 0 JJADMO C[C@H](CNC(=O)c1c(F)ccc(C(F)(F)F)c1Br)[N@H+]1CCc2ccccc2C1 ZINC001359828334 1064510092 /nfs/dbraw/zinc/51/00/92/1064510092.db2.gz FKPVTRRHLJTSJA-GFCCVEGCSA-N 1 1 459.281 4.784 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001359830045 1064511929 /nfs/dbraw/zinc/51/19/29/1064511929.db2.gz CFLOWXNPEQPOTH-JTHBVZDNSA-N 1 1 488.721 4.577 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@H](c3nc(C(C)C)cs3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001359830869 1064513776 /nfs/dbraw/zinc/51/37/76/1064513776.db2.gz SCIAGCKFPRGLNQ-FQEVSTJZSA-N 1 1 474.719 4.551 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@H](c3nc(C(C)C)cs3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001359830869 1064513792 /nfs/dbraw/zinc/51/37/92/1064513792.db2.gz SCIAGCKFPRGLNQ-FQEVSTJZSA-N 1 1 474.719 4.551 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001359835392 1064522374 /nfs/dbraw/zinc/52/23/74/1064522374.db2.gz WDZBSPCZEHMHPG-FGZHOGPDSA-N 1 1 479.591 4.689 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001359835370 1064522629 /nfs/dbraw/zinc/52/26/29/1064522629.db2.gz VZOAKVWRDBQTIE-GMAHTHKFSA-N 1 1 488.721 4.767 20 0 JJADMO COc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1Br ZINC001435116426 1064524300 /nfs/dbraw/zinc/52/43/00/1064524300.db2.gz OADVFMNVRMMAQY-QZTJIDSGSA-N 1 1 472.408 4.769 20 0 JJADMO CC(C)Cc1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1Cc1cccnc1OCC(F)F ZINC001359850808 1064537784 /nfs/dbraw/zinc/53/77/84/1064537784.db2.gz XJLNRLNEPZDDGU-SFHVURJKSA-N 1 1 490.624 4.509 20 0 JJADMO CC(C)Cc1nnc(N2CCN(c3ccccc3Cl)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001359852853 1064539957 /nfs/dbraw/zinc/53/99/57/1064539957.db2.gz XSMAOZVVNZACOO-OAQYLSRUSA-N 1 1 459.082 4.577 20 0 JJADMO CC(C)Cc1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CCCO[C@H](C)c1ccccc1 ZINC001359855799 1064543383 /nfs/dbraw/zinc/54/33/83/1064543383.db2.gz SFQGOMBVNWSXEY-DHIUTWEWSA-N 1 1 453.675 4.955 20 0 JJADMO CC(C)Cc1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001359861108 1064551094 /nfs/dbraw/zinc/55/10/94/1064551094.db2.gz MREOSAQPLONHHJ-REWPJTCUSA-N 1 1 459.704 4.702 20 0 JJADMO CC(C)Cc1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CCOc1ccccc1Cl ZINC001359861444 1064551960 /nfs/dbraw/zinc/55/19/60/1064551960.db2.gz VYEUQPVABQZXFO-UHFFFAOYSA-N 1 1 460.047 4.593 20 0 JJADMO CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1Cc1nc(C(C)(C)C)cs1 ZINC001359861503 1064552186 /nfs/dbraw/zinc/55/21/86/1064552186.db2.gz XRXRUCHNACPHTN-FQEVSTJZSA-N 1 1 466.699 4.990 20 0 JJADMO C[C@H]1CN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001435162752 1064558913 /nfs/dbraw/zinc/55/89/13/1064558913.db2.gz HIPZEBCEPXHWJB-SFTDATJTSA-N 1 1 451.611 4.789 20 0 JJADMO C[C@@H](CNC(=O)c1cccnc1Oc1ccc(Br)cc1)[N@@H+](C)Cc1ccccc1 ZINC001435166804 1064562124 /nfs/dbraw/zinc/56/21/24/1064562124.db2.gz SBKZNVCGPAQASG-KRWDZBQOSA-N 1 1 454.368 4.887 20 0 JJADMO CC(C)C[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001359878738 1064570109 /nfs/dbraw/zinc/57/01/09/1064570109.db2.gz MNISABLYMLWHTB-WRALFONMSA-N 1 1 487.664 4.786 20 0 JJADMO CCCCN(CC)c1ccc(C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@@H+](C)C3)cc2)cc1 ZINC001435190171 1064579426 /nfs/dbraw/zinc/57/94/26/1064579426.db2.gz VFRREDGJUWKXQP-VWLOTQADSA-N 1 1 450.627 4.732 20 0 JJADMO CC(C)C[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001359885273 1064580292 /nfs/dbraw/zinc/58/02/92/1064580292.db2.gz YDZCAMOGMAMQRA-JOCHJYFZSA-N 1 1 486.705 4.527 20 0 JJADMO Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001435194477 1064583208 /nfs/dbraw/zinc/58/32/08/1064583208.db2.gz KSXWAVWZTKQRQL-VWLOTQADSA-N 1 1 450.583 4.788 20 0 JJADMO Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001435194477 1064583224 /nfs/dbraw/zinc/58/32/24/1064583224.db2.gz KSXWAVWZTKQRQL-VWLOTQADSA-N 1 1 450.583 4.788 20 0 JJADMO CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001359888603 1064585827 /nfs/dbraw/zinc/58/58/27/1064585827.db2.gz GMNDBXISCBKCHJ-RNWIMVQKSA-N 1 1 497.728 4.588 20 0 JJADMO CC(C)CC[C@](C)(O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001359888601 1064586076 /nfs/dbraw/zinc/58/60/76/1064586076.db2.gz GMNDBXISCBKCHJ-IADCTJSHSA-N 1 1 497.728 4.588 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCC3(c4cccc(Br)c4)CC3)cc2)C[C@H](C)O1 ZINC001435200466 1064587739 /nfs/dbraw/zinc/58/77/39/1064587739.db2.gz WGITWVPUDYLNLC-HDICACEKSA-N 1 1 457.412 4.520 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCC3(c4cccc(Br)c4)CC3)cc2)C[C@H](C)O1 ZINC001435200466 1064587749 /nfs/dbraw/zinc/58/77/49/1064587749.db2.gz WGITWVPUDYLNLC-HDICACEKSA-N 1 1 457.412 4.520 20 0 JJADMO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)nn1-c1cccc(C(F)(F)F)c1 ZINC001435205983 1064591294 /nfs/dbraw/zinc/59/12/94/1064591294.db2.gz GJGIVOXQAKLFMF-IBGZPJMESA-N 1 1 456.512 4.936 20 0 JJADMO Cc1ccc(-n2ncc(C(=O)N3CCC[N@H+](Cc4ccccc4)C[C@@H]3C)c2C(F)(F)F)cc1 ZINC001435207456 1064591879 /nfs/dbraw/zinc/59/18/79/1064591879.db2.gz PUUQSWDMFLGYLE-IBGZPJMESA-N 1 1 456.512 4.936 20 0 JJADMO Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001435208517 1064593180 /nfs/dbraw/zinc/59/31/80/1064593180.db2.gz WATBLKXJRJBSRH-HSZRJFAPSA-N 1 1 458.650 4.912 20 0 JJADMO CC(C)CC[C@@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001359896192 1064598207 /nfs/dbraw/zinc/59/82/07/1064598207.db2.gz NWOFTOVGUUEVDR-FUFSCUOVSA-N 1 1 490.696 4.552 20 0 JJADMO CC(C)CC[C@@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001359896195 1064598528 /nfs/dbraw/zinc/59/85/28/1064598528.db2.gz NWOFTOVGUUEVDR-PWUYWRBVSA-N 1 1 490.696 4.552 20 0 JJADMO CC(C)CC[C@@](C)(O)Cn1c(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nnc1C(C)(C)C ZINC001359900173 1064608313 /nfs/dbraw/zinc/60/83/13/1064608313.db2.gz OJHVHPVTZKVROE-WNCULLNHSA-N 1 1 455.691 4.864 20 0 JJADMO CC(C)CC[C@](C)(O)Cn1c(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nnc1C(C)(C)C ZINC001359900170 1064608426 /nfs/dbraw/zinc/60/84/26/1064608426.db2.gz OJHVHPVTZKVROE-HOFKKMOUSA-N 1 1 455.691 4.864 20 0 JJADMO CC(C)CCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001359902306 1064613972 /nfs/dbraw/zinc/61/39/72/1064613972.db2.gz MXKGNBNZQYDSFQ-SXWKCWPCSA-N 1 1 476.065 4.665 20 0 JJADMO CC(C)CCCn1c(-c2ccccc2Br)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001359904549 1064619618 /nfs/dbraw/zinc/61/96/18/1064619618.db2.gz PWEQZFDFHLXVGV-UHFFFAOYSA-N 1 1 478.479 4.691 20 0 JJADMO CC(C)CCCn1c(-c2ccccc2Br)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001359904549 1064619619 /nfs/dbraw/zinc/61/96/19/1064619619.db2.gz PWEQZFDFHLXVGV-UHFFFAOYSA-N 1 1 478.479 4.691 20 0 JJADMO CC(C)CCCn1c(Cc2ccsc2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001359909008 1064626256 /nfs/dbraw/zinc/62/62/56/1064626256.db2.gz QHWQWGYSJHTTTG-XUZZJYLKSA-N 1 1 469.703 4.619 20 0 JJADMO C[C@H](NC(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435253577 1064630139 /nfs/dbraw/zinc/63/01/39/1064630139.db2.gz KYPKOVBXBGTWSF-BXKMTCNYSA-N 1 1 454.492 4.790 20 0 JJADMO C[C@H](NC(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435253577 1064630146 /nfs/dbraw/zinc/63/01/46/1064630146.db2.gz KYPKOVBXBGTWSF-BXKMTCNYSA-N 1 1 454.492 4.790 20 0 JJADMO C[C@@H](NC(=O)c1ccc2cc(Br)ccc2c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435254503 1064631721 /nfs/dbraw/zinc/63/17/21/1064631721.db2.gz NCURPHUBOQKTDG-UZUQRXQVSA-N 1 1 453.380 4.622 20 0 JJADMO C[C@@H](NC(=O)c1ccc2cc(Br)ccc2c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435254503 1064631727 /nfs/dbraw/zinc/63/17/27/1064631727.db2.gz NCURPHUBOQKTDG-UZUQRXQVSA-N 1 1 453.380 4.622 20 0 JJADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1cc2cc(Br)ccc2s1 ZINC001435254719 1064631795 /nfs/dbraw/zinc/63/17/95/1064631795.db2.gz UQDQDUVWLVYZGW-MRXNPFEDSA-N 1 1 458.425 4.604 20 0 JJADMO C[C@H](NC(=O)c1ccc2cc(Br)ccc2c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435254480 1064631819 /nfs/dbraw/zinc/63/18/19/1064631819.db2.gz NCURPHUBOQKTDG-GAJHUEQPSA-N 1 1 453.380 4.622 20 0 JJADMO C[C@H](NC(=O)c1ccc2cc(Br)ccc2c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435254480 1064631831 /nfs/dbraw/zinc/63/18/31/1064631831.db2.gz NCURPHUBOQKTDG-GAJHUEQPSA-N 1 1 453.380 4.622 20 0 JJADMO CC(C)CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359914977 1064635754 /nfs/dbraw/zinc/63/57/54/1064635754.db2.gz SHGDALIYHLPGPY-KDURUIRLSA-N 1 1 478.479 4.689 20 0 JJADMO CC(C)CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359915488 1064636617 /nfs/dbraw/zinc/63/66/17/1064636617.db2.gz NNNKBSUCAAJNLB-OYRHEFFESA-N 1 1 455.647 4.914 20 0 JJADMO C[N@H+]1CCC[C@H](CNC(=O)COc2ccc(OCc3ccccc3)cc2)[C@@H]1c1cccs1 ZINC001435260282 1064636697 /nfs/dbraw/zinc/63/66/97/1064636697.db2.gz IOVKKBSMQLXARI-QFQXNSOFSA-N 1 1 450.604 4.905 20 0 JJADMO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001435262171 1064638319 /nfs/dbraw/zinc/63/83/19/1064638319.db2.gz SPLBVIGRMKJFLX-KOSHJBKYSA-N 1 1 457.043 4.946 20 0 JJADMO CC(C)CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001359918592 1064641778 /nfs/dbraw/zinc/64/17/78/1064641778.db2.gz KZXVYVLNUWHKJT-XUZZJYLKSA-N 1 1 455.647 4.641 20 0 JJADMO CC(C)CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[N@@H+]1CC=CCC1 ZINC001359921952 1064649333 /nfs/dbraw/zinc/64/93/33/1064649333.db2.gz XMSVKCDGCIDKOE-UHFFFAOYSA-N 1 1 452.430 4.908 20 0 JJADMO CC(C)CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CC[N@@H+]1CCOC[C@@H]1C)C1CC1 ZINC001359923199 1064651417 /nfs/dbraw/zinc/65/14/17/1064651417.db2.gz BJUSBVUUFYLOTI-KRWDZBQOSA-N 1 1 466.457 4.988 20 0 JJADMO CC(C)CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CC[N@H+]1CCOC[C@@H]1C)C1CC1 ZINC001359923199 1064651420 /nfs/dbraw/zinc/65/14/20/1064651420.db2.gz BJUSBVUUFYLOTI-KRWDZBQOSA-N 1 1 466.457 4.988 20 0 JJADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC001435273827 1064652388 /nfs/dbraw/zinc/65/23/88/1064652388.db2.gz QEGKHRIJULEARY-LJQANCHMSA-N 1 1 454.412 4.844 20 0 JJADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1)Oc1cccc(Cl)c1 ZINC001435283459 1064660907 /nfs/dbraw/zinc/66/09/07/1064660907.db2.gz WMJBLDCODLUWIC-ZPMCFJSWSA-N 1 1 456.011 4.596 20 0 JJADMO COc1ccc(C(=O)C(=O)N(CC[N@@H+](C)Cc2ccccc2)Cc2ccccc2)cc1Cl ZINC001435324030 1064697251 /nfs/dbraw/zinc/69/72/51/1064697251.db2.gz KNBGSZYRRYBUDB-UHFFFAOYSA-N 1 1 450.966 4.692 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N(C)Cc3cnn(C)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001359950138 1064703621 /nfs/dbraw/zinc/70/36/21/1064703621.db2.gz FLHPRRLCUMUTIH-RUZDIDTESA-N 1 1 493.700 4.860 20 0 JJADMO Cc1c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cnn1-c1cccc(C(F)(F)F)c1 ZINC001435336664 1064707410 /nfs/dbraw/zinc/70/74/10/1064707410.db2.gz BLRKBNUKUJSSPL-SBUREZEXSA-N 1 1 456.512 4.840 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@H](C(C)C)C3)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001359952041 1064713029 /nfs/dbraw/zinc/71/30/29/1064713029.db2.gz LVCRNIBZZMUEKM-UKILVPOCSA-N 1 1 483.701 4.963 20 0 JJADMO 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CC(C)[N@@H+](C)CCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001360097578 1064975548 /nfs/dbraw/zinc/97/55/48/1064975548.db2.gz MFFZPXXNQREEPV-UHFFFAOYSA-N 1 1 496.656 4.915 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1nccs1 ZINC001360097688 1064976623 /nfs/dbraw/zinc/97/66/23/1064976623.db2.gz PWPLPWLQNYNCIY-UHFFFAOYSA-N 1 1 469.478 4.592 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC001360101226 1064980740 /nfs/dbraw/zinc/98/07/40/1064980740.db2.gz ITPSOWOARRWJFP-XZOQPEGZSA-N 1 1 474.093 4.896 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccccn2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC001360101167 1064980824 /nfs/dbraw/zinc/98/08/24/1064980824.db2.gz HAJOEBGWKLSKFW-SANMLTNESA-N 1 1 497.087 4.598 20 0 JJADMO CC(C)N(Cc1cccs1)c1nnc([C@@H]2COc3ccccc3O2)n1CCC[N@@H+](C)C(C)C ZINC001360101108 1064980862 /nfs/dbraw/zinc/98/08/62/1064980862.db2.gz FLMYXWPZDGQUTO-QHCPKHFHSA-N 1 1 469.655 4.997 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(CC(C)(C)C)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC001360101089 1064980917 /nfs/dbraw/zinc/98/09/17/1064980917.db2.gz DWXILJWMAWFZNX-UHFFFAOYSA-N 1 1 469.600 4.654 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 ZINC001360104199 1064984833 /nfs/dbraw/zinc/98/48/33/1064984833.db2.gz MRKKMGVKOIRNBO-HNNXBMFYSA-N 1 1 463.399 4.712 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1ccc(Br)o1 ZINC001360104591 1064985697 /nfs/dbraw/zinc/98/56/97/1064985697.db2.gz URGISGOHKBUAIX-UHFFFAOYSA-N 1 1 498.372 4.879 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2cc(Br)ccc2C1 ZINC001360106709 1064987835 /nfs/dbraw/zinc/98/78/35/1064987835.db2.gz NWQRKXZVUVGPCU-UHFFFAOYSA-N 1 1 489.849 4.659 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCSC(C)(C)C1 ZINC001360106564 1064988169 /nfs/dbraw/zinc/98/81/69/1064988169.db2.gz ISERULMAOLLMQE-UHFFFAOYSA-N 1 1 470.456 4.519 20 0 JJADMO 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CC(C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 ZINC001360113008 1064995029 /nfs/dbraw/zinc/99/50/29/1064995029.db2.gz QFECNOBHJOQSBH-CTNGQTDRSA-N 1 1 482.456 4.652 20 0 JJADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)c1cccs1 ZINC001360113419 1064995578 /nfs/dbraw/zinc/99/55/78/1064995578.db2.gz AEZWLZRCEGZBHJ-MOPGFXCFSA-N 1 1 476.691 4.949 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001360113391 1064995657 /nfs/dbraw/zinc/99/56/57/1064995657.db2.gz ZDSMDIBLEVLEDL-UHFFFAOYSA-N 1 1 462.564 4.859 20 0 JJADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)c1cccs1 ZINC001360113420 1064995827 /nfs/dbraw/zinc/99/58/27/1064995827.db2.gz AEZWLZRCEGZBHJ-OALUTQOASA-N 1 1 476.691 4.949 20 0 JJADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccc[nH]3)cc2)C[C@@H](C)O1 ZINC001435798914 1064996536 /nfs/dbraw/zinc/99/65/36/1064996536.db2.gz OMFQMUNPZQQTFX-IAGOWNOFSA-N 1 1 451.954 4.761 20 0 JJADMO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC001360121899 1065010827 /nfs/dbraw/zinc/01/08/27/1065010827.db2.gz MZJXKZMETWEPSU-KRWDZBQOSA-N 1 1 454.571 4.774 20 0 JJADMO CC[N@@H+](Cc1ccc(C(=O)NCCc2cn3cc(Br)cc(C)c3n2)cc1)C(C)C ZINC001435847521 1065021249 /nfs/dbraw/zinc/02/12/49/1065021249.db2.gz GYBJNNAGHHQYJL-UHFFFAOYSA-N 1 1 457.416 4.608 20 0 JJADMO CCCN(C(=O)c1nc(Br)c2ccccn21)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001360128665 1065023133 /nfs/dbraw/zinc/02/31/33/1065023133.db2.gz CEOZYSKTORWFOR-LJQANCHMSA-N 1 1 455.400 4.614 20 0 JJADMO C[C@@H](NC(=O)c1cc(Br)c(C(F)(F)F)cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001435851360 1065023519 /nfs/dbraw/zinc/02/35/19/1065023519.db2.gz IMGIAMSDBCAWFT-VXGBXAGGSA-N 1 1 451.302 4.990 20 0 JJADMO CCCN(C(=O)c1cc2c(cc1Br)OCO2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001360129231 1065024770 /nfs/dbraw/zinc/02/47/70/1065024770.db2.gz HLZOOPDHTWCAOW-GOSISDBHSA-N 1 1 459.384 4.695 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1 ZINC001435857369 1065028149 /nfs/dbraw/zinc/02/81/49/1065028149.db2.gz NWJCZLAXOWDGSJ-ILBGXUMGSA-N 1 1 470.057 4.905 20 0 JJADMO O=C(NCCc1ccc(Br)cc1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001360134090 1065030059 /nfs/dbraw/zinc/03/00/59/1065030059.db2.gz JGWDLYFXOURWGC-HXUWFJFHSA-N 1 1 455.318 4.562 20 0 JJADMO COc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)c(OCCC(C)C)c1 ZINC001435864907 1065032041 /nfs/dbraw/zinc/03/20/41/1065032041.db2.gz HFMANNVQIJBEMC-DQEYMECFSA-N 1 1 459.675 4.529 20 0 JJADMO CN(C(=O)CCCOc1cccc2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001435865652 1065033336 /nfs/dbraw/zinc/03/33/36/1065033336.db2.gz NVQPXGOPUIOYPV-CLJLJLNGSA-N 1 1 451.655 4.794 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cccc(Br)c3)nnc2N(C)Cc2ccccn2)C1 ZINC001360138728 1065034586 /nfs/dbraw/zinc/03/45/86/1065034586.db2.gz JVNDXQQLZWASBL-IBGZPJMESA-N 1 1 483.458 4.859 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)C[C@@H]2CC=CCC2)C1 ZINC001360139146 1065035559 /nfs/dbraw/zinc/03/55/59/1065035559.db2.gz NWJJQLHZDFBAHZ-DHIUTWEWSA-N 1 1 499.103 4.774 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3ccc(Br)s3)nnc2N(C)CC(F)(F)F)C1 ZINC001360138881 1065035752 /nfs/dbraw/zinc/03/57/52/1065035752.db2.gz LHAZENBIGUXENY-ZDUSSCGKSA-N 1 1 480.398 4.888 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)C1 ZINC001360139424 1065036196 /nfs/dbraw/zinc/03/61/96/1065036196.db2.gz QZLVSPJOVFEOFN-FGTMMUONSA-N 1 1 467.008 4.841 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(COc3ccccc3F)nnc2N2CCC(OC(C)(C)C)CC2)C1 ZINC001360140257 1065036827 /nfs/dbraw/zinc/03/68/27/1065036827.db2.gz AXBGFJKHEPYZPA-OAQYLSRUSA-N 1 1 487.664 4.901 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(CCc3ccccc3)nnc2N(C)Cc2cc(Cl)ccn2)C1 ZINC001360140371 1065037374 /nfs/dbraw/zinc/03/73/74/1065037374.db2.gz CLBNZHKAFRUBHF-QFIPXVFZSA-N 1 1 467.061 4.869 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCOC(C)(C)[C@H]2C)C1 ZINC001360140705 1065038747 /nfs/dbraw/zinc/03/87/47/1065038747.db2.gz IZOJLGYBKPUWIG-TZIWHRDSSA-N 1 1 460.066 4.646 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(COc3ccccc3F)nnc2N(C)Cc2cc(Cl)ccn2)C1 ZINC001360140863 1065038947 /nfs/dbraw/zinc/03/89/47/1065038947.db2.gz JVARWGCRUAIJNA-LJQANCHMSA-N 1 1 487.023 4.801 20 0 JJADMO Cc1cc(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)ccc1NC(=O)OC(C)(C)C ZINC001435875975 1065039071 /nfs/dbraw/zinc/03/90/71/1065039071.db2.gz PQNPUZGNRCFEFH-OAQYLSRUSA-N 1 1 455.624 4.689 20 0 JJADMO Cc1cc(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)ccc1NC(=O)OC(C)(C)C ZINC001435875975 1065039084 /nfs/dbraw/zinc/03/90/84/1065039084.db2.gz PQNPUZGNRCFEFH-OAQYLSRUSA-N 1 1 455.624 4.689 20 0 JJADMO O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)c1cc(F)c(Br)c(Cl)c1 ZINC001435876176 1065039190 /nfs/dbraw/zinc/03/91/90/1065039190.db2.gz QRRRQUPQBYBXLE-OAHLLOKOSA-N 1 1 457.796 4.589 20 0 JJADMO O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)c1cc(F)c(Br)c(Cl)c1 ZINC001435876176 1065039201 /nfs/dbraw/zinc/03/92/01/1065039201.db2.gz QRRRQUPQBYBXLE-OAHLLOKOSA-N 1 1 457.796 4.589 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)C1 ZINC001360141083 1065039480 /nfs/dbraw/zinc/03/94/80/1065039480.db2.gz MAYDFRHWEPOKRR-JIPXPUAJSA-N 1 1 471.665 4.770 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CCSC[C@@H]2C)C1 ZINC001360141585 1065040112 /nfs/dbraw/zinc/04/01/12/1065040112.db2.gz QMSYJKPFRXXNOA-OALUTQOASA-N 1 1 464.079 4.573 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(Cc3ccccc3F)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)C1 ZINC001360141421 1065040186 /nfs/dbraw/zinc/04/01/86/1065040186.db2.gz OXNFPARWOMXBOH-QWFCFKBJSA-N 1 1 467.555 4.763 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CCSC[C@H]2C)C1 ZINC001360141584 1065040474 /nfs/dbraw/zinc/04/04/74/1065040474.db2.gz QMSYJKPFRXXNOA-MOPGFXCFSA-N 1 1 464.079 4.573 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)[C@@H]2CCOC2)C1 ZINC001360141737 1065041368 /nfs/dbraw/zinc/04/13/68/1065041368.db2.gz RRLBSJIEIFIBAT-JTHBVZDNSA-N 1 1 469.674 4.500 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)C[C@@H]2CCCOC2)C1 ZINC001360142191 1065041691 /nfs/dbraw/zinc/04/16/91/1065041691.db2.gz UXPOFYACCWMFBV-VXKWHMMOSA-N 1 1 460.066 4.506 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)C1 ZINC001360141965 1065041873 /nfs/dbraw/zinc/04/18/73/1065041873.db2.gz UDIDEKLSQNKZIF-CVDCTZTESA-N 1 1 499.647 4.581 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3cccnc3)nnc2N(C)CCc2ccc(Cl)cc2)C1 ZINC001360142441 1065042518 /nfs/dbraw/zinc/04/25/18/1065042518.db2.gz WJWGSLZZQJXKGS-QHCPKHFHSA-N 1 1 467.061 4.717 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(c3cc(F)ccc3F)CC2)C1 ZINC001360142513 1065043234 /nfs/dbraw/zinc/04/32/34/1065043234.db2.gz XYZOVUXEXJKUPB-HXUWFJFHSA-N 1 1 474.644 4.592 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3c[nH]c4ccccc43)n2CCSC(F)(F)F)CC1 ZINC001360144656 1065046762 /nfs/dbraw/zinc/04/67/62/1065046762.db2.gz RFNJSJVSBSOKRK-UHFFFAOYSA-N 1 1 452.550 4.600 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(CC(C)(C)C)n2CCCc2nc3c(s2)CCCC3)CC1 ZINC001360146523 1065048852 /nfs/dbraw/zinc/04/88/52/1065048852.db2.gz NWCFEXKZSOSBNK-UHFFFAOYSA-N 1 1 458.720 4.755 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(Cc3ccsc3)n2Cc2ccsc2Br)CC1 ZINC001360147006 1065049562 /nfs/dbraw/zinc/04/95/62/1065049562.db2.gz DOOXLGZLDKRYCU-UHFFFAOYSA-N 1 1 480.501 4.723 20 0 JJADMO CC(C)c1nc(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)nn1-c1ccccc1Cl ZINC001360148119 1065050714 /nfs/dbraw/zinc/05/07/14/1065050714.db2.gz BDQFLYODMMFTAN-KRWDZBQOSA-N 1 1 453.974 4.690 20 0 JJADMO C[C@@H](c1ccc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1)[NH+]1CCOCC1 ZINC001360149001 1065051910 /nfs/dbraw/zinc/05/19/10/1065051910.db2.gz WJOSKJANEFRVSC-KRWDZBQOSA-N 1 1 454.958 4.745 20 0 JJADMO CCOCCC[N@H+]1CC[C@H](NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)[C@@H](C)C1 ZINC001360150599 1065054403 /nfs/dbraw/zinc/05/44/03/1065054403.db2.gz HASMUDJKJKKEIQ-RDJZCZTQSA-N 1 1 457.562 4.501 20 0 JJADMO CCOCCC[N@H+]1CC[C@H](NC(=O)C2(c3cccc(Br)c3)CCCC2)[C@H](C)C1 ZINC001360150463 1065054468 /nfs/dbraw/zinc/05/44/68/1065054468.db2.gz CPGFMFYLUZFIIS-NQIIRXRSSA-N 1 1 451.449 4.514 20 0 JJADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)C2(c3cccc(Br)c3)CCCC2)[C@H](C)C1 ZINC001360150465 1065054572 /nfs/dbraw/zinc/05/45/72/1065054572.db2.gz CPGFMFYLUZFIIS-WIYYLYMNSA-N 1 1 451.449 4.514 20 0 JJADMO CC(C)N1CC[NH+](C2CCN(c3nnc(C(C)(C)C)n3Cc3cscc3C(F)(F)F)CC2)CC1 ZINC001360155779 1065057512 /nfs/dbraw/zinc/05/75/12/1065057512.db2.gz GZNRKZIALLLDOV-UHFFFAOYSA-N 1 1 498.663 4.699 20 0 JJADMO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1oc2ccccc2c1CSc1ccccc1F ZINC001435969070 1065086215 /nfs/dbraw/zinc/08/62/15/1065086215.db2.gz WLZAHTVDUQSKOK-SFHVURJKSA-N 1 1 455.599 4.620 20 0 JJADMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccccc1OCc1cn2ccccc2n1 ZINC001435995437 1065098658 /nfs/dbraw/zinc/09/86/58/1065098658.db2.gz RNYDSNQVOUMXBR-RUZDIDTESA-N 1 1 456.590 4.800 20 0 JJADMO COc1ccc(CCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1Br ZINC001436014099 1065112268 /nfs/dbraw/zinc/11/22/68/1065112268.db2.gz DCPXTSUCPISCCX-QFIPXVFZSA-N 1 1 459.428 4.807 20 0 JJADMO CC(C)NC(=O)CN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC[N@@H+](C)C1CCCC1 ZINC001360274532 1065115145 /nfs/dbraw/zinc/11/51/45/1065115145.db2.gz MAFRITOJYHYYEV-UHFFFAOYSA-N 1 1 498.672 4.648 20 0 JJADMO C[C@H](CNC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)[N@@H+](C)Cc1ccccc1 ZINC001360281902 1065122843 /nfs/dbraw/zinc/12/28/43/1065122843.db2.gz MTOQVVSBRLUCEK-HXUWFJFHSA-N 1 1 455.558 4.864 20 0 JJADMO C[C@H](NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1nc(C(F)(F)F)cs1 ZINC001436056773 1065149359 /nfs/dbraw/zinc/14/93/59/1065149359.db2.gz SSJVUGDFWVUBAJ-SJCJKPOMSA-N 1 1 451.436 4.794 20 0 JJADMO CC(C)O[C@@]1(c2nnc(N(C)C3CCCCC3)n2CCCC[N@H+]2CCCC[C@H]2C)CCOC1 ZINC001360320872 1065157810 /nfs/dbraw/zinc/15/78/10/1065157810.db2.gz GZCILCYOSYUBEK-GJZUVCINSA-N 1 1 461.695 4.742 20 0 JJADMO Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001360328006 1065170721 /nfs/dbraw/zinc/17/07/21/1065170721.db2.gz XAJJUZFMEADENR-FYYLOGMGSA-N 1 1 453.602 4.786 20 0 JJADMO C[C@]1(CNC(=O)COc2ccc(Br)cc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC001436094433 1065176365 /nfs/dbraw/zinc/17/63/65/1065176365.db2.gz AZRVTVMYYUALFF-OAQYLSRUSA-N 1 1 451.792 4.510 20 0 JJADMO CC(C)O[C@@]1(c2nnc(N3CCC(C(C)C)CC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CCOC1 ZINC001360335567 1065182754 /nfs/dbraw/zinc/18/27/54/1065182754.db2.gz GITJAEDODRVGHB-FIPFOOKPSA-N 1 1 483.701 4.712 20 0 JJADMO CC(C)O[C@]1(c2nnc(N3CC[C@H](C)[C@H](C)C3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CCOC1 ZINC001360336785 1065185584 /nfs/dbraw/zinc/18/55/84/1065185584.db2.gz YALKWIFECNMNCZ-SXDGJLEOSA-N 1 1 483.701 4.690 20 0 JJADMO O=C(CCc1nc2cc(Br)ccc2s1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001436114033 1065189065 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ZGCMZROYYUHGTJ-IAGOWNOFSA-N 1 1 482.492 4.647 20 0 JJADMO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001360384028 1065246999 /nfs/dbraw/zinc/24/69/99/1065246999.db2.gz LIAYRLMVZZKXJY-KKUQBAQOSA-N 1 1 477.649 4.726 20 0 JJADMO O=C(Nc1nc(-c2ccc(Br)cn2)cs1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001436205739 1065250605 /nfs/dbraw/zinc/25/06/05/1065250605.db2.gz OJAJWVCGYIQWHX-INIZCTEOSA-N 1 1 457.397 4.818 20 0 JJADMO C/C(=C/C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001360387223 1065252249 /nfs/dbraw/zinc/25/22/49/1065252249.db2.gz DATARZNEMVHLCK-UZOYXQLSSA-N 1 1 459.512 4.914 20 0 JJADMO COc1c(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC(C)C)cc(Cl)cc1C(=O)N(C)C ZINC001436217581 1065259088 /nfs/dbraw/zinc/25/90/88/1065259088.db2.gz KUKUCUHHEUFZMT-DENIHFKCSA-N 1 1 472.029 4.783 20 0 JJADMO Cc1cc(C(F)F)n(CC(=O)NC[C@@H](c2ccc(Cl)cc2)[N@H+](C)CCC(F)(F)F)n1 ZINC001436230289 1065268083 /nfs/dbraw/zinc/26/80/83/1065268083.db2.gz 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CC(C)[C@@H]1C[C@H]1n1c(-c2ccc(Cl)cc2F)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001360425327 1065294932 /nfs/dbraw/zinc/29/49/32/1065294932.db2.gz CXJVYVBJLHOJSD-AZUAARDMSA-N 1 1 450.002 4.502 20 0 JJADMO C[C@H](c1cc(F)ccc1F)N(C)c1nnc(C2CCCC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001360428096 1065299391 /nfs/dbraw/zinc/29/93/91/1065299391.db2.gz CFALJVUDPUXDKR-WIYYLYMNSA-N 1 1 461.601 4.648 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)CCC1 ZINC001436367765 1065303797 /nfs/dbraw/zinc/30/37/97/1065303797.db2.gz NUBKKLXBYBQDTG-WXVAWEFUSA-N 1 1 455.643 4.727 20 0 JJADMO C[C@@H](c1ccc(F)cc1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)[NH+]1CCOCC1 ZINC001360437901 1065319918 /nfs/dbraw/zinc/31/99/18/1065319918.db2.gz SMNCIWYQGUCUFL-WWPVKYPJSA-N 1 1 487.664 4.644 20 0 JJADMO CCOc1ccc(C(=O)N(Cc2ccncc2)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC001436453386 1065322419 /nfs/dbraw/zinc/32/24/19/1065322419.db2.gz XVHQRTHRTZXVMN-RUZDIDTESA-N 1 1 459.590 4.796 20 0 JJADMO 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C[C@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC=C(C(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001360531487 1065513321 /nfs/dbraw/zinc/51/33/21/1065513321.db2.gz TYJVILJGBUBFSJ-GOSISDBHSA-N 1 1 485.076 4.527 20 0 JJADMO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC001360535072 1065516135 /nfs/dbraw/zinc/51/61/35/1065516135.db2.gz KTZGKYGQGMPFPF-HNNXBMFYSA-N 1 1 499.379 4.565 20 0 JJADMO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCC(F)(F)F)CC1CC1)[N@@H+](C)C1CC1 ZINC001360535870 1065517916 /nfs/dbraw/zinc/51/79/16/1065517916.db2.gz RMFDEOGQANXUQB-CYBMUJFWSA-N 1 1 489.384 4.687 20 0 JJADMO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCc1nccs1)[N@@H+](C)Cc1ccccc1 ZINC001360540187 1065525115 /nfs/dbraw/zinc/52/51/15/1065525115.db2.gz BBGOZTONYJDERC-GOSISDBHSA-N 1 1 482.057 4.649 20 0 JJADMO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)N(C)c1ccccc1 ZINC001360542611 1065531998 /nfs/dbraw/zinc/53/19/98/1065531998.db2.gz ZMBIHDHKDKOZPP-FQEVSTJZSA-N 1 1 482.076 4.829 20 0 JJADMO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H](C(F)F)C1)[N@@H+](C)C1CC1 ZINC001360544420 1065533790 /nfs/dbraw/zinc/53/37/90/1065533790.db2.gz IVZXKBIKEQPAEC-GJZGRUSLSA-N 1 1 468.390 4.672 20 0 JJADMO C[C@@H](Cn1c(C2CCC2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001360557929 1065547354 /nfs/dbraw/zinc/54/73/54/1065547354.db2.gz IBWPMAAIQUNEOF-NRFANRHFSA-N 1 1 496.700 4.950 20 0 JJADMO CCCCC[N@@H+](CCNC(=O)c1ccc2cncc(Br)c2n1)Cc1ccccc1 ZINC001437415306 1065548590 /nfs/dbraw/zinc/54/85/90/1065548590.db2.gz JGCQNOWKJRVMAB-UHFFFAOYSA-N 1 1 455.400 4.815 20 0 JJADMO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1)[N@@H+](C)C1CC1 ZINC001360565523 1065556235 /nfs/dbraw/zinc/55/62/35/1065556235.db2.gz XTGCUVOHIBHNGT-MMOPVJDHSA-N 1 1 494.453 4.564 20 0 JJADMO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](c2ccnn2C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360568951 1065561364 /nfs/dbraw/zinc/56/13/64/1065561364.db2.gz HLTOVXMSZDPJGN-GGAORHGYSA-N 1 1 463.674 4.505 20 0 JJADMO C[C@H](Cn1c(CC(C)(C)C)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1)[N@@H+](C)C1CC1 ZINC001360569054 1065561597 /nfs/dbraw/zinc/56/15/97/1065561597.db2.gz FTPPPTVWMIBVAZ-AUSIDOKSSA-N 1 1 457.638 4.674 20 0 JJADMO C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360574213 1065569006 /nfs/dbraw/zinc/56/90/06/1065569006.db2.gz BJYQVKLLLVJOMU-WIOPSUGQSA-N 1 1 476.669 4.568 20 0 JJADMO C[C@@H](N1CCN(c2nnc(CC3CCCC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1)C(F)(F)F ZINC001360578900 1065574609 /nfs/dbraw/zinc/57/46/09/1065574609.db2.gz OARUJAQAGDUUBC-LEWJYISDSA-N 1 1 492.634 4.604 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](C)C2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001545907906 1065582090 /nfs/dbraw/zinc/58/20/90/1065582090.db2.gz UCIHDRYZUUFWQQ-IFMALSPDSA-N 1 1 470.662 4.643 20 0 JJADMO C[C@H](Cn1c(N2CCc3cc(OCC(C)(C)F)ccc3C2)nnc1C(C)(C)C)[N@@H+](C)C1CC1 ZINC001360587500 1065589378 /nfs/dbraw/zinc/58/93/78/1065589378.db2.gz QSEBZFHFBMPFBG-GOSISDBHSA-N 1 1 457.638 4.748 20 0 JJADMO C[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCOC(C)(C)[C@@H]1C)[N@@H+](C)C1CC1 ZINC001360587795 1065589993 /nfs/dbraw/zinc/58/99/93/1065589993.db2.gz PQJGUXSXHDLJFG-SJORKVTESA-N 1 1 464.079 4.710 20 0 JJADMO CC(C)[C@H]1CN(C(=O)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001437721168 1065595927 /nfs/dbraw/zinc/59/59/27/1065595927.db2.gz BHTMSIVBWIIIHE-BJKOFHAPSA-N 1 1 457.659 4.783 20 0 JJADMO CC(C)[C@H]1CN(C(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)CC[N@H+]1Cc1ccccc1 ZINC001437732200 1065597123 /nfs/dbraw/zinc/59/71/23/1065597123.db2.gz WKWFXGWOPZTHCS-FMGHJNRGSA-N 1 1 469.670 4.925 20 0 JJADMO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC001437876406 1065624179 /nfs/dbraw/zinc/62/41/79/1065624179.db2.gz VOWZJLHQRUQVLN-HSZRJFAPSA-N 1 1 451.014 4.876 20 0 JJADMO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC001437876406 1065624187 /nfs/dbraw/zinc/62/41/87/1065624187.db2.gz VOWZJLHQRUQVLN-HSZRJFAPSA-N 1 1 451.014 4.876 20 0 JJADMO CC(C)[C@H]1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001360605605 1065630613 /nfs/dbraw/zinc/63/06/13/1065630613.db2.gz BANKLNPAVDGWNA-ZEQRLZLVSA-N 1 1 497.728 4.995 20 0 JJADMO C[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC001360606849 1065632674 /nfs/dbraw/zinc/63/26/74/1065632674.db2.gz RPGGGZSNPFAAFY-AQNXPRMDSA-N 1 1 478.106 4.674 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC001438021684 1065652456 /nfs/dbraw/zinc/65/24/56/1065652456.db2.gz GMQYKSKUZUEOJJ-CBUXHAPBSA-N 1 1 469.670 4.687 20 0 JJADMO CC1(C)C[N@@H+](Cc2ccccc2)C(C)(C)CN1C(=O)c1cc(COc2ccccc2F)on1 ZINC001438064229 1065664112 /nfs/dbraw/zinc/66/41/12/1065664112.db2.gz WPLLSCDFFQUEKS-UHFFFAOYSA-N 1 1 451.542 4.908 20 0 JJADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CCc2nc3cc(Br)ccc3s2)CC1 ZINC001438200604 1065693517 /nfs/dbraw/zinc/69/35/17/1065693517.db2.gz VVEYTBCCQVODJZ-MRXNPFEDSA-N 1 1 458.425 4.897 20 0 JJADMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(C3CC3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001360636879 1065695834 /nfs/dbraw/zinc/69/58/34/1065695834.db2.gz NCFLNJIYUZOLPL-FPOVZHCZSA-N 1 1 474.694 4.550 20 0 JJADMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(C3CC3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001360636881 1065695912 /nfs/dbraw/zinc/69/59/12/1065695912.db2.gz NCFLNJIYUZOLPL-TZIWHRDSSA-N 1 1 474.694 4.550 20 0 JJADMO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C3CC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001360641100 1065712496 /nfs/dbraw/zinc/71/24/96/1065712496.db2.gz CVJGGWVSQXGVRK-LEWJYISDSA-N 1 1 496.700 4.806 20 0 JJADMO Cn1nc2cc(Br)ccc2c1C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001438358777 1065715677 /nfs/dbraw/zinc/71/56/77/1065715677.db2.gz OUPMGRUIWKPKDW-LJQANCHMSA-N 1 1 455.400 4.510 20 0 JJADMO O=C(N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)c1cnnn1-c1cc(Cl)ccc1Cl ZINC001438357707 1065715854 /nfs/dbraw/zinc/71/58/54/1065715854.db2.gz KFSRDUCQRAPTGT-LJQANCHMSA-N 1 1 458.393 4.749 20 0 JJADMO CC[N@H+]1CC[C@H](N(C)C(=O)CCCCCc2ccc(I)cc2)[C@H](C)C1 ZINC001360648526 1065724304 /nfs/dbraw/zinc/72/43/04/1065724304.db2.gz ROEDRTFJEZHBPA-XLIONFOSSA-N 1 1 456.412 4.583 20 0 JJADMO C/C(=C/C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1)c1ccccc1C(F)(F)F ZINC001360657821 1065726925 /nfs/dbraw/zinc/72/69/25/1065726925.db2.gz CZMNGTRLVKRFTQ-HQSFBDMMSA-N 1 1 459.512 4.914 20 0 JJADMO CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001360658758 1065728665 /nfs/dbraw/zinc/72/86/65/1065728665.db2.gz PEHVVUGLJLIJSY-JTHBVZDNSA-N 1 1 458.002 4.548 20 0 JJADMO O=C(COc1ccc(Br)cc1Cl)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001438568160 1065732288 /nfs/dbraw/zinc/73/22/88/1065732288.db2.gz XVCZWKIUGQXQDA-GOSISDBHSA-N 1 1 451.792 4.652 20 0 JJADMO CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001438576503 1065733545 /nfs/dbraw/zinc/73/35/45/1065733545.db2.gz ZIIIMEUQBPKUCO-XZOQPEGZSA-N 1 1 455.643 4.585 20 0 JJADMO Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)c2ccnc(Oc3ccc(C(C)C)cc3)c2)C1 ZINC001438594084 1065733950 /nfs/dbraw/zinc/73/39/50/1065733950.db2.gz LNDFLPKVGGSMOX-AREMUKBSSA-N 1 1 459.590 4.937 20 0 JJADMO Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)c2ccnc(Oc3ccc(C(C)C)cc3)c2)C1 ZINC001438594084 1065733959 /nfs/dbraw/zinc/73/39/59/1065733959.db2.gz LNDFLPKVGGSMOX-AREMUKBSSA-N 1 1 459.590 4.937 20 0 JJADMO COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001360678744 1065734043 /nfs/dbraw/zinc/73/40/43/1065734043.db2.gz UQICNNIXGZRYJS-WUFINQPMSA-N 1 1 458.602 4.613 20 0 JJADMO COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001360678744 1065734055 /nfs/dbraw/zinc/73/40/55/1065734055.db2.gz UQICNNIXGZRYJS-WUFINQPMSA-N 1 1 458.602 4.613 20 0 JJADMO Cc1nc(-c2ccc(C)cc2F)sc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC001438594294 1065734968 /nfs/dbraw/zinc/73/49/68/1065734968.db2.gz MDHPRNVNSAMVPR-FQEVSTJZSA-N 1 1 453.583 4.505 20 0 JJADMO Cc1nc(-c2ccc(C)cc2F)sc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC001438594294 1065734975 /nfs/dbraw/zinc/73/49/75/1065734975.db2.gz MDHPRNVNSAMVPR-FQEVSTJZSA-N 1 1 453.583 4.505 20 0 JJADMO Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)c2sc3ccccc3c2Br)C1 ZINC001438594402 1065735048 /nfs/dbraw/zinc/73/50/48/1065735048.db2.gz NREHJBUIOJFRKJ-KRWDZBQOSA-N 1 1 459.409 4.603 20 0 JJADMO Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)c2sc3ccccc3c2Br)C1 ZINC001438594402 1065735054 /nfs/dbraw/zinc/73/50/54/1065735054.db2.gz NREHJBUIOJFRKJ-KRWDZBQOSA-N 1 1 459.409 4.603 20 0 JJADMO CSc1ccc(-c2nsc(NC(=O)c3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)n2)cc1 ZINC001360702108 1065740754 /nfs/dbraw/zinc/74/07/54/1065740754.db2.gz VQNSXTPRCAKJNA-IYBDPMFKSA-N 1 1 454.621 4.789 20 0 JJADMO CSc1ccc(-c2nsc(NC(=O)c3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)n2)cc1 ZINC001360702108 1065740768 /nfs/dbraw/zinc/74/07/68/1065740768.db2.gz VQNSXTPRCAKJNA-IYBDPMFKSA-N 1 1 454.621 4.789 20 0 JJADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cnc(SC)n1-c1ccc(F)cc1 ZINC001360706663 1065742521 /nfs/dbraw/zinc/74/25/21/1065742521.db2.gz KSMABDHXNODMBK-HXUWFJFHSA-N 1 1 452.599 4.718 20 0 JJADMO C[C@@H](NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360711417 1065743663 /nfs/dbraw/zinc/74/36/63/1065743663.db2.gz FYBWKOUBIKWRKQ-HXOBKFHXSA-N 1 1 458.480 4.985 20 0 JJADMO C[C@@H](NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360711417 1065743674 /nfs/dbraw/zinc/74/36/74/1065743674.db2.gz FYBWKOUBIKWRKQ-HXOBKFHXSA-N 1 1 458.480 4.985 20 0 JJADMO C[C@@H](NC(=O)c1cccc2cccc(Br)c21)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360711967 1065744546 /nfs/dbraw/zinc/74/45/46/1065744546.db2.gz RQRVUEVHGXTDAT-VGSWGCGISA-N 1 1 453.380 4.622 20 0 JJADMO C[C@@H](NC(=O)c1cccc2cccc(Br)c21)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360711967 1065744559 /nfs/dbraw/zinc/74/45/59/1065744559.db2.gz RQRVUEVHGXTDAT-VGSWGCGISA-N 1 1 453.380 4.622 20 0 JJADMO Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CC[C@@]2(C1)C[N@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC001438860479 1065759654 /nfs/dbraw/zinc/75/96/54/1065759654.db2.gz KNWSORAQQGFSTJ-MRJKTFCFSA-N 1 1 450.623 4.778 20 0 JJADMO Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC001438860479 1065759668 /nfs/dbraw/zinc/75/96/68/1065759668.db2.gz KNWSORAQQGFSTJ-MRJKTFCFSA-N 1 1 450.623 4.778 20 0 JJADMO C[C@@H]1C[C@H](N(C)C(=O)c2cnnn2-c2cc(Cl)ccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC001360734732 1065762554 /nfs/dbraw/zinc/76/25/54/1065762554.db2.gz CRVPLJMNCZAIAZ-VQIMIIECSA-N 1 1 458.393 4.699 20 0 JJADMO C[C@H]1C[C@H](N(C)C(=O)CCCCCNC(=O)NC2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001360735350 1065764011 /nfs/dbraw/zinc/76/40/11/1065764011.db2.gz PKSBZOVTDLPYOW-WIOPSUGQSA-N 1 1 456.675 4.690 20 0 JJADMO C[C@@H]1C[C@H](N(C)C(=O)c2cnnn2-c2cccc(Cl)c2Cl)CC[N@H+]1Cc1ccccc1 ZINC001360735910 1065764565 /nfs/dbraw/zinc/76/45/65/1065764565.db2.gz ZMRPDQYEWHDCRL-SJLPKXTDSA-N 1 1 458.393 4.699 20 0 JJADMO CC(C)[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)C[C@@H]1CC=CCC1)[NH+]1CCOCC1 ZINC001360738220 1065768455 /nfs/dbraw/zinc/76/84/55/1065768455.db2.gz KUHKKIFEFZVKRS-SGIRGMQISA-N 1 1 485.648 4.707 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCc3cc4cc(Br)ccc4o3)cc2)C[C@H](C)O1 ZINC001438963476 1065772000 /nfs/dbraw/zinc/77/20/00/1065772000.db2.gz FSCOBSHKIPDTHN-IYBDPMFKSA-N 1 1 457.368 4.735 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCc3cc4cc(Br)ccc4o3)cc2)C[C@H](C)O1 ZINC001438963476 1065772014 /nfs/dbraw/zinc/77/20/14/1065772014.db2.gz FSCOBSHKIPDTHN-IYBDPMFKSA-N 1 1 457.368 4.735 20 0 JJADMO CO[C@H](C(=O)N(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc(Br)s1 ZINC001438987729 1065774397 /nfs/dbraw/zinc/77/43/97/1065774397.db2.gz UVEOJGCDRQMIMI-PXNSSMCTSA-N 1 1 451.430 4.711 20 0 JJADMO CC(C)[N@@H+](C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001360740799 1065774666 /nfs/dbraw/zinc/77/46/66/1065774666.db2.gz KQHOHJPHVYTSES-MRXNPFEDSA-N 1 1 455.500 4.596 20 0 JJADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C(F)(F)F)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001360742346 1065777625 /nfs/dbraw/zinc/77/76/25/1065777625.db2.gz XMRIJUFTSHTHQT-QGZVFWFLSA-N 1 1 467.511 4.598 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](c2ccco2)C1 ZINC001360743456 1065779523 /nfs/dbraw/zinc/77/95/23/1065779523.db2.gz FJHXEKDQSVXZAP-UXHICEINSA-N 1 1 455.578 4.874 20 0 JJADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H]1CCCS1 ZINC001360744803 1065783120 /nfs/dbraw/zinc/78/31/20/1065783120.db2.gz AWZXCWDBHWYZHW-RXVVDRJESA-N 1 1 461.651 4.763 20 0 JJADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H]1CCCS1 ZINC001360744801 1065783265 /nfs/dbraw/zinc/78/32/65/1065783265.db2.gz AWZXCWDBHWYZHW-GHTZIAJQSA-N 1 1 461.651 4.763 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2CCC(=O)N(c3cccc(F)c3)C2)CCCCC1 ZINC001439095832 1065784585 /nfs/dbraw/zinc/78/45/85/1065784585.db2.gz FJVBDWVNLRISTF-JOCHJYFZSA-N 1 1 451.586 4.520 20 0 JJADMO C[C@]12CN(C(=O)CCSc3ccc(Br)cc3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001439110993 1065787988 /nfs/dbraw/zinc/78/79/88/1065787988.db2.gz NXHVOFLEKFYOOV-XXBNENTESA-N 1 1 459.453 4.912 20 0 JJADMO COc1cc(Br)c(Cl)cc1C(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001439111499 1065788095 /nfs/dbraw/zinc/78/80/95/1065788095.db2.gz PDIHTHAFZWEODE-ZHRRBRCNSA-N 1 1 463.803 4.705 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001360747623 1065789015 /nfs/dbraw/zinc/78/90/15/1065789015.db2.gz LINCCAFYGICNQI-FYYLOGMGSA-N 1 1 455.643 4.537 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Cc1ccc(OCCOc2ccccc2)cc1 ZINC001360748275 1065789622 /nfs/dbraw/zinc/78/96/22/1065789622.db2.gz UZJHNFZHXXEWJU-XMMPIXPASA-N 1 1 458.602 4.810 20 0 JJADMO Cc1sc(Br)c(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCOCC2)c1C ZINC001439125651 1065790489 /nfs/dbraw/zinc/79/04/89/1065790489.db2.gz WHRHOCONVCKVOP-UHFFFAOYSA-N 1 1 451.430 4.538 20 0 JJADMO CC(C)N1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001360749008 1065791648 /nfs/dbraw/zinc/79/16/48/1065791648.db2.gz JYLYNVCSLYWDFF-SQJMNOBHSA-N 1 1 486.680 4.598 20 0 JJADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCSCC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001360749504 1065792614 /nfs/dbraw/zinc/79/26/14/1065792614.db2.gz FEOUSSZKIBCHIR-WOJBJXKFSA-N 1 1 461.651 4.765 20 0 JJADMO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)C[C@@H]2CCOC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360753666 1065800436 /nfs/dbraw/zinc/80/04/36/1065800436.db2.gz GUDBYHBLWTWZRK-UXHICEINSA-N 1 1 476.065 4.666 20 0 JJADMO CC(C)[N@@H+](C)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)C1CCC2(CC1)OCCO2 ZINC001360753952 1065802038 /nfs/dbraw/zinc/80/20/38/1065802038.db2.gz LRPWZEIEDQHEIP-LJQANCHMSA-N 1 1 492.064 4.534 20 0 JJADMO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC(F)F)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001360754153 1065802669 /nfs/dbraw/zinc/80/26/69/1065802669.db2.gz OXWJCXOAPHAEPY-HZPDHXFCSA-N 1 1 464.948 4.622 20 0 JJADMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1 ZINC001439243822 1065803733 /nfs/dbraw/zinc/80/37/33/1065803733.db2.gz CUFPGVWPIXLMSK-LVCYWYKZSA-N 1 1 451.419 4.810 20 0 JJADMO O=C(Cc1nc(-c2ccc(F)cc2)cs1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001439270597 1065807579 /nfs/dbraw/zinc/80/75/79/1065807579.db2.gz PZRVBYRHEKGFCL-RTBURBONSA-N 1 1 463.500 4.671 20 0 JJADMO O=C(Cc1nc(-c2ccc(F)cc2)cs1)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001439270597 1065807597 /nfs/dbraw/zinc/80/75/97/1065807597.db2.gz PZRVBYRHEKGFCL-RTBURBONSA-N 1 1 463.500 4.671 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001360755224 1065808213 /nfs/dbraw/zinc/80/82/13/1065808213.db2.gz AUNNZYBPFFZRPZ-HBMCJLEFSA-N 1 1 476.065 4.665 20 0 JJADMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1cc(Br)cc2cccnc21 ZINC001439275659 1065809574 /nfs/dbraw/zinc/80/95/74/1065809574.db2.gz WFYYNBHAIKOPOP-RTBURBONSA-N 1 1 478.312 4.790 20 0 JJADMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1cc(Br)cc2cccnc21 ZINC001439275659 1065809588 /nfs/dbraw/zinc/80/95/88/1065809588.db2.gz WFYYNBHAIKOPOP-RTBURBONSA-N 1 1 478.312 4.790 20 0 JJADMO COc1cc(Cl)c(Br)cc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001439360383 1065820156 /nfs/dbraw/zinc/82/01/56/1065820156.db2.gz VNAHDKTWXCWPTP-SJORKVTESA-N 1 1 463.803 4.705 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2=CCCOC2)CC1 ZINC001360758356 1065824249 /nfs/dbraw/zinc/82/42/49/1065824249.db2.gz QXEPNANAJMORDL-HXUWFJFHSA-N 1 1 488.076 4.975 20 0 JJADMO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC001439618826 1065848313 /nfs/dbraw/zinc/84/83/13/1065848313.db2.gz ZNTUYAAUGQAHAF-NRFANRHFSA-N 1 1 458.400 4.504 20 0 JJADMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC001439618826 1065848333 /nfs/dbraw/zinc/84/83/33/1065848333.db2.gz ZNTUYAAUGQAHAF-NRFANRHFSA-N 1 1 458.400 4.504 20 0 JJADMO C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@H]2CCCCO2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001360765557 1065850395 /nfs/dbraw/zinc/85/03/95/1065850395.db2.gz TWFYLAWXFFCFDS-FDFHNCONSA-N 1 1 473.637 4.827 20 0 JJADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCCC(C)(C)C ZINC001360769645 1065862493 /nfs/dbraw/zinc/86/24/93/1065862493.db2.gz LNMYJONHCUKTKB-NHCUHLMSSA-N 1 1 473.637 4.542 20 0 JJADMO C[C@@]1(NC(=O)c2nscc2Br)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001439758420 1065871878 /nfs/dbraw/zinc/87/18/78/1065871878.db2.gz RAAFKWZYSMDTJW-PGRDOPGGSA-N 1 1 456.409 4.694 20 0 JJADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCSC[C@H]2C)n1CCC[N@H+]1CCCC[C@H]1C ZINC001360777706 1065882044 /nfs/dbraw/zinc/88/20/44/1065882044.db2.gz DKFQRBAJNFIDJV-AQNXPRMDSA-N 1 1 461.651 4.763 20 0 JJADMO CC(C)(C)OC(=O)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C1CCCC1 ZINC001439819031 1065882169 /nfs/dbraw/zinc/88/21/69/1065882169.db2.gz OZXYQLRFWPNUDQ-JIMJEQGWSA-N 1 1 462.634 4.919 20 0 JJADMO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001440048072 1065906364 /nfs/dbraw/zinc/90/63/64/1065906364.db2.gz RZEPJQFGWIOPLN-WKAQUBQDSA-N 1 1 477.649 4.744 20 0 JJADMO CC1(C)CCC[N@@H+](CCn2c(Cc3ccccn3)nnc2N2CCC(CC(F)(F)F)CC2)C1 ZINC001360807797 1065920258 /nfs/dbraw/zinc/92/02/58/1065920258.db2.gz AFLDAGQXEPXCSE-UHFFFAOYSA-N 1 1 464.580 4.555 20 0 JJADMO CC1(C)CCC[N@@H+](CCn2c(-c3cc(F)ccc3Br)nnc2N2CC=CCC2)C1 ZINC001360808312 1065921613 /nfs/dbraw/zinc/92/16/13/1065921613.db2.gz KMESIJWWFYRRGI-UHFFFAOYSA-N 1 1 462.411 4.735 20 0 JJADMO CC(C)(C)[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001360808463 1065921637 /nfs/dbraw/zinc/92/16/37/1065921637.db2.gz MKEIKHUOHVOPLQ-JOCHJYFZSA-N 1 1 453.675 4.894 20 0 JJADMO CC(C)(C)c1nnc(N2CCC(c3ccccc3CO)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360808623 1065922197 /nfs/dbraw/zinc/92/21/97/1065922197.db2.gz QOIPFFBZQLRIRY-UHFFFAOYSA-N 1 1 453.675 4.574 20 0 JJADMO CC1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001360812930 1065925788 /nfs/dbraw/zinc/92/57/88/1065925788.db2.gz ZHHXTKVMIXMLFG-HXUWFJFHSA-N 1 1 478.106 4.840 20 0 JJADMO CCc1cc(C(=O)N[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)ccc1Br ZINC001440298944 1065929072 /nfs/dbraw/zinc/92/90/72/1065929072.db2.gz POEUPTPDGABHOV-FQEVSTJZSA-N 1 1 455.318 4.948 20 0 JJADMO CCc1cc(C(=O)N[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)ccc1Br ZINC001440298944 1065929084 /nfs/dbraw/zinc/92/90/84/1065929084.db2.gz POEUPTPDGABHOV-FQEVSTJZSA-N 1 1 455.318 4.948 20 0 JJADMO CC1(C)CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCC[N@H+]2CCC[C@H]2CO)CCS1 ZINC001360821160 1065934907 /nfs/dbraw/zinc/93/49/07/1065934907.db2.gz SHYRZDCXKVMUPT-SFHVURJKSA-N 1 1 498.524 4.821 20 0 JJADMO CC1(C)COCC[N@@H+]1CCn1c(-c2ccccc2Br)nnc1N1CCCCCCC1 ZINC001360830582 1065942854 /nfs/dbraw/zinc/94/28/54/1065942854.db2.gz VTAZRLVIKDZTSN-UHFFFAOYSA-N 1 1 476.463 4.589 20 0 JJADMO CC1(C)COCC[N@H+]1CCn1c(-c2ccccc2Br)nnc1N1CCCCCCC1 ZINC001360830582 1065942859 /nfs/dbraw/zinc/94/28/59/1065942859.db2.gz VTAZRLVIKDZTSN-UHFFFAOYSA-N 1 1 476.463 4.589 20 0 JJADMO CC1(C)COCC[N@@H+]1CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001360830415 1065943018 /nfs/dbraw/zinc/94/30/18/1065943018.db2.gz OQTYQDKZYRPQAG-UHFFFAOYSA-N 1 1 488.822 4.748 20 0 JJADMO CC1(C)COCC[N@H+]1CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001360830415 1065943029 /nfs/dbraw/zinc/94/30/29/1065943029.db2.gz OQTYQDKZYRPQAG-UHFFFAOYSA-N 1 1 488.822 4.748 20 0 JJADMO Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001440560843 1065949680 /nfs/dbraw/zinc/94/96/80/1065949680.db2.gz MMLSAYDUXWVMEY-UHFFFAOYSA-N 1 1 452.382 4.722 20 0 JJADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2oc3ccccc3c2CSc2ccccc2F)C1 ZINC001440676365 1065963063 /nfs/dbraw/zinc/96/30/63/1065963063.db2.gz NMANMLVRBMBLOQ-SFHVURJKSA-N 1 1 456.583 4.951 20 0 JJADMO CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC001360851365 1065964317 /nfs/dbraw/zinc/96/43/17/1065964317.db2.gz CSNGVLFIMINHGM-QFIPXVFZSA-N 1 1 451.611 4.657 20 0 JJADMO CC1=C(Br)CN(c2nnc([C@@H]3CCCCO3)n2CC[N@H+](C)Cc2ccccc2)CC1 ZINC001360853166 1065968484 /nfs/dbraw/zinc/96/84/84/1065968484.db2.gz FSNABIUNFYDYSR-NRFANRHFSA-N 1 1 474.447 4.531 20 0 JJADMO CC1=C(Br)CN(c2nnc([C@H]3CCCCO3)n2CC[N@H+](C)Cc2ccccc2)CC1 ZINC001360853167 1065968545 /nfs/dbraw/zinc/96/85/45/1065968545.db2.gz FSNABIUNFYDYSR-OAQYLSRUSA-N 1 1 474.447 4.531 20 0 JJADMO Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001440709489 1065969137 /nfs/dbraw/zinc/96/91/37/1065969137.db2.gz XCBGDVUYFLJYCJ-IBGZPJMESA-N 1 1 455.484 4.552 20 0 JJADMO CC1=C(Br)CN(c2nnc(C3CCC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001360853339 1065969363 /nfs/dbraw/zinc/96/93/63/1065969363.db2.gz JXHFOJUOCNAIIA-QGZVFWFLSA-N 1 1 450.469 4.937 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC001440729580 1065971639 /nfs/dbraw/zinc/97/16/39/1065971639.db2.gz VLMHOPLVPHRHAB-JOCHJYFZSA-N 1 1 458.002 4.640 20 0 JJADMO C[C@@H]1C[N@H+](CCCNC(=O)[C@@H](Oc2cccc(Cl)c2Cl)c2ccccc2)C[C@H](C)O1 ZINC001440821700 1065981354 /nfs/dbraw/zinc/98/13/54/1065981354.db2.gz AYINVYKRSHEEFT-JKSBSHDWSA-N 1 1 451.394 4.729 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@H]2[N@@H+](C)CCCC2(C)C)c1C ZINC001360865384 1065984206 /nfs/dbraw/zinc/98/42/06/1065984206.db2.gz ANEVLCGKQRKMGL-JTHBVZDNSA-N 1 1 498.716 4.506 20 0 JJADMO CC(C)(C)OC(=O)NCc1ccccc1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC001440864259 1065984773 /nfs/dbraw/zinc/98/47/73/1065984773.db2.gz LVMXKDULGJGNPN-UHFFFAOYSA-N 1 1 458.002 4.713 20 0 JJADMO CC(C)(C)OC(=O)NCc1ccccc1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC001440864259 1065984781 /nfs/dbraw/zinc/98/47/81/1065984781.db2.gz LVMXKDULGJGNPN-UHFFFAOYSA-N 1 1 458.002 4.713 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H]3CCOC3)n2CCC[N@H+]2CCCC[C@H]2C)c1C ZINC001360865570 1065984816 /nfs/dbraw/zinc/98/48/16/1065984816.db2.gz DOGLSTUGQDJICA-MZYLBHOOSA-N 1 1 455.647 4.525 20 0 JJADMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Sc4ccccc4Cl)nn3)CC2)cc1 ZINC001440863752 1065984964 /nfs/dbraw/zinc/98/49/64/1065984964.db2.gz KUXJQOFRRAGQAZ-UHFFFAOYSA-N 1 1 453.011 4.938 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)CCC3CCOCC3)n2CC[N@H+]2CCC[C@@H]2C)c1C ZINC001360868635 1065992712 /nfs/dbraw/zinc/99/27/12/1065992712.db2.gz JGIIIPAOAJOXAZ-JTHBVZDNSA-N 1 1 469.674 4.772 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)CC3CCC3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC001360868646 1065993368 /nfs/dbraw/zinc/99/33/68/1065993368.db2.gz JJBOPQBXCBRTGB-FUPPJEDESA-N 1 1 469.674 4.771 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC[N@@H+](C)C2CCCC2)c1C ZINC001360868875 1065994272 /nfs/dbraw/zinc/99/42/72/1065994272.db2.gz CBUFDASDXSGVAG-IRLDBZIGSA-N 1 1 469.674 4.913 20 0 JJADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1nc(-c2ccc(OC(F)F)cc2)c(C)s1 ZINC001440923122 1065994327 /nfs/dbraw/zinc/99/43/27/1065994327.db2.gz JRLFMKYFNGOJES-UHFFFAOYSA-N 1 1 458.494 4.508 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CCc2ccsc2)c1C ZINC001360869215 1065996596 /nfs/dbraw/zinc/99/65/96/1065996596.db2.gz MUGNYEJNFGJNOH-JOCHJYFZSA-N 1 1 497.709 4.886 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CCc2ccsc2)c1C ZINC001360869215 1065996606 /nfs/dbraw/zinc/99/66/06/1065996606.db2.gz MUGNYEJNFGJNOH-JOCHJYFZSA-N 1 1 497.709 4.886 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n2CCOCCC(C)C)c1C ZINC001360870023 1066000725 /nfs/dbraw/zinc/00/07/25/1066000725.db2.gz LYAKDBBABPHZQQ-QTJGBDASSA-N 1 1 469.674 4.771 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](OCC(C)C)C3)n2CC[N@H+]2CCC[C@@H]2C)c1C ZINC001360872978 1066007517 /nfs/dbraw/zinc/00/75/17/1066007517.db2.gz DGMAUNFVJWUAIL-QTJGBDASSA-N 1 1 469.674 4.771 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](OCC(C)C)C3)n2CC[N@H+]2CCC[C@H]2C)c1C ZINC001360872974 1066007560 /nfs/dbraw/zinc/00/75/60/1066007560.db2.gz DGMAUNFVJWUAIL-JRFVFWCSSA-N 1 1 469.674 4.771 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCC[N@H+](C4CCCC4)CC3)n2C[C@](C)(O)C(C)C)c1C ZINC001360873252 1066008508 /nfs/dbraw/zinc/00/85/08/1066008508.db2.gz DFVFPLFZJMLJLL-FIPFOOKPSA-N 1 1 483.701 4.897 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCCC[C@@H](C)C3)n2CCCC[N@H+]2CCC[C@@H]2CO)c1C ZINC001360873972 1066011431 /nfs/dbraw/zinc/01/14/31/1066011431.db2.gz IYLUDAMJTIMILT-NQHRYMMQSA-N 1 1 483.701 4.898 20 0 JJADMO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC001441201534 1066015117 /nfs/dbraw/zinc/01/51/17/1066015117.db2.gz WYPIBEUYZYXXPL-UHFFFAOYSA-N 1 1 451.014 4.728 20 0 JJADMO Cc1c(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)cnn1C ZINC001360874809 1066015438 /nfs/dbraw/zinc/01/54/38/1066015438.db2.gz UQORUZNAIWTPGJ-QHCPKHFHSA-N 1 1 493.700 4.682 20 0 JJADMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1Br ZINC001441232327 1066017450 /nfs/dbraw/zinc/01/74/50/1066017450.db2.gz UXTVZMWXOAWETA-OAHLLOKOSA-N 1 1 457.290 4.742 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCN(C(C)C)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)c1C ZINC001360876718 1066021044 /nfs/dbraw/zinc/02/10/44/1066021044.db2.gz AGIIVRRHZPNLFE-DNQXCXABSA-N 1 1 470.706 4.542 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2CCCC(F)(F)F)c1C ZINC001360876852 1066021537 /nfs/dbraw/zinc/02/15/37/1066021537.db2.gz CBTQLMAGDWORLN-NHCUHLMSSA-N 1 1 495.590 4.678 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C)C3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC001360878872 1066027855 /nfs/dbraw/zinc/02/78/55/1066027855.db2.gz BOOJLVXDRWFMKD-DAVFGYKESA-N 1 1 469.674 4.628 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCOC4(CCCCC4)C3)n2CC[N@H+](C)C(C)C)c1C ZINC001360879134 1066028935 /nfs/dbraw/zinc/02/89/35/1066028935.db2.gz GXHDSCOVPWSFLO-QHCPKHFHSA-N 1 1 469.674 4.915 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3ccc(Nc4nccs4)cc3F)cc2)C[C@H](C)O1 ZINC001441329561 1066029438 /nfs/dbraw/zinc/02/94/38/1066029438.db2.gz YBRAGITUAXBXRO-CALCHBBNSA-N 1 1 454.571 4.565 20 0 JJADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCCC2 ZINC001441357316 1066032966 /nfs/dbraw/zinc/03/29/66/1066032966.db2.gz PZSGCGJWJSZTBC-OFNKIYASSA-N 1 1 455.643 4.857 20 0 JJADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@]2(C)CC(c3cccc(Cl)c3F)=NO2)C1 ZINC001441355481 1066032988 /nfs/dbraw/zinc/03/29/88/1066032988.db2.gz NKLOJKCQADBFLU-NSYGIPOTSA-N 1 1 457.977 4.911 20 0 JJADMO CCN1CC[NH+](Cc2ccc(CNC(=O)c3ccc(O[C@H](C)c4ccccc4)cc3)cc2)CC1 ZINC001441362699 1066034528 /nfs/dbraw/zinc/03/45/28/1066034528.db2.gz CKRWTVAQMOKHPV-HSZRJFAPSA-N 1 1 457.618 4.894 20 0 JJADMO CC1=C(C)CN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001360885025 1066039720 /nfs/dbraw/zinc/03/97/20/1066039720.db2.gz PJRWGZHMKYZGMF-HSZRJFAPSA-N 1 1 467.658 4.637 20 0 JJADMO CC1=C(C)CN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001360885025 1066039729 /nfs/dbraw/zinc/03/97/29/1066039729.db2.gz PJRWGZHMKYZGMF-HSZRJFAPSA-N 1 1 467.658 4.637 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2cc(Cl)ncc2Br)C1 ZINC001441460816 1066042587 /nfs/dbraw/zinc/04/25/87/1066042587.db2.gz HGOZAANYZHEICI-GASCZTMLSA-N 1 1 450.808 4.905 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)Cc3ccc(OCc4ccccn4)cc3)cc2)C1 ZINC001441477804 1066045538 /nfs/dbraw/zinc/04/55/38/1066045538.db2.gz GYPMDNLDROWBMO-ZRZAMGCNSA-N 1 1 457.618 4.997 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@H]3CC[C@H](NC(=O)OC(C)(C)C)CC3)cc2)C1 ZINC001441489089 1066045943 /nfs/dbraw/zinc/04/59/43/1066045943.db2.gz YDFCKLHPVLALHP-NNYJTDNRSA-N 1 1 457.659 4.864 20 0 JJADMO C[C@@H](CNC(=O)CCc1cccc(OCc2ccccc2)c1)[NH+]1CCN(c2ccccc2)CC1 ZINC001441491807 1066046646 /nfs/dbraw/zinc/04/66/46/1066046646.db2.gz HJSTTXDYWAALEF-DEOSSOPVSA-N 1 1 457.618 4.525 20 0 JJADMO Cc1nc([C@@H]2CCCN(c3nnc(CCc4ccccc4)n3CC[N@H+](C)C(C)C)C2)sc1C ZINC001360896114 1066049733 /nfs/dbraw/zinc/04/97/33/1066049733.db2.gz UVQUOPWUHLFERO-HSZRJFAPSA-N 1 1 466.699 4.861 20 0 JJADMO Cc1nc([C@@H]2CCCN(c3nnc(COc4ccc(F)cc4)n3CC[N@H+](C)C(C)C)C2)sc1C ZINC001360896283 1066050319 /nfs/dbraw/zinc/05/03/19/1066050319.db2.gz ZWAMBDOBSULPON-HXUWFJFHSA-N 1 1 486.661 4.794 20 0 JJADMO CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC001441560715 1066051077 /nfs/dbraw/zinc/05/10/77/1066051077.db2.gz NLIFYHWDMKEDBH-NTKDMRAZSA-N 1 1 454.590 4.663 20 0 JJADMO Cc1nc(Cn2c(Cc3ccccc3F)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)sc1C ZINC001360905412 1066059519 /nfs/dbraw/zinc/05/95/19/1066059519.db2.gz ZSPLDEDUZPKUET-UHFFFAOYSA-N 1 1 470.662 4.686 20 0 JJADMO COc1cc([C@H](C)NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)ccc1OCc1ccncc1 ZINC001441694458 1066062020 /nfs/dbraw/zinc/06/20/20/1066062020.db2.gz ZFRWDZJESMMYPZ-BXKMTCNYSA-N 1 1 453.970 4.803 20 0 JJADMO Cc1cc(OC(C)C)ccc1NC(=O)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001441819578 1066073381 /nfs/dbraw/zinc/07/33/81/1066073381.db2.gz QTDGGZRZUHCFFQ-HSZRJFAPSA-N 1 1 455.599 4.746 20 0 JJADMO Cc1occc1CN(C)c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+](C)C1CCCCC1 ZINC001360932735 1066090761 /nfs/dbraw/zinc/09/07/61/1066090761.db2.gz RJSKCRDFPQXLSD-UHFFFAOYSA-N 1 1 489.462 4.848 20 0 JJADMO C[C@@H](C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cccc(C(=O)c2ccccc2)c1 ZINC001442111739 1066095270 /nfs/dbraw/zinc/09/52/70/1066095270.db2.gz KWIJIHJQHAQTPA-FGZHOGPDSA-N 1 1 456.586 4.558 20 0 JJADMO C[C@@H](C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cccc(C(=O)c2ccccc2)c1 ZINC001442111739 1066095278 /nfs/dbraw/zinc/09/52/78/1066095278.db2.gz KWIJIHJQHAQTPA-FGZHOGPDSA-N 1 1 456.586 4.558 20 0 JJADMO Cc1occc1CN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001360944679 1066099385 /nfs/dbraw/zinc/09/93/85/1066099385.db2.gz FKLCZJGGYSDKRL-ROUUACIJSA-N 1 1 457.569 4.805 20 0 JJADMO Cc1ncsc1CN(C)c1nnc(COc2ccccc2F)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001360949427 1066104290 /nfs/dbraw/zinc/10/42/90/1066104290.db2.gz GOERZEPGUVDSQE-MSOLQXFVSA-N 1 1 472.634 4.518 20 0 JJADMO O=C(Cc1cccnc1Cl)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC001442236411 1066106481 /nfs/dbraw/zinc/10/64/81/1066106481.db2.gz SHIQFUNMPOGROV-UHFFFAOYSA-N 1 1 455.389 4.892 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 ZINC001442247370 1066107783 /nfs/dbraw/zinc/10/77/83/1066107783.db2.gz BLTQRRLZQNSXPL-FUHIMQAGSA-N 1 1 452.039 4.779 20 0 JJADMO COc1ccccc1SCC(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001360951705 1066108510 /nfs/dbraw/zinc/10/85/10/1066108510.db2.gz GSKUDZABLZEOAI-IBGZPJMESA-N 1 1 452.542 4.700 20 0 JJADMO O=C([C@@H]1C[C@H]1c1cccc(F)c1F)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001360951825 1066108579 /nfs/dbraw/zinc/10/85/79/1066108579.db2.gz KNTKIOXLTHVYRE-YSIASYRMSA-N 1 1 452.467 4.981 20 0 JJADMO Cc1cc(SCC(=O)N2CC[NH+](CCc3cccs3)CC2)c(C)cc1Br ZINC001442255674 1066109062 /nfs/dbraw/zinc/10/90/62/1066109062.db2.gz BBMBOCJGPKAVDY-UHFFFAOYSA-N 1 1 453.471 4.606 20 0 JJADMO COc1ccc(SCC(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1 ZINC001360952245 1066109140 /nfs/dbraw/zinc/10/91/40/1066109140.db2.gz ZYFMHFHHSDQWCN-IBGZPJMESA-N 1 1 452.542 4.700 20 0 JJADMO COc1nc(C(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)cc2ccccc21 ZINC001360951942 1066109241 /nfs/dbraw/zinc/10/92/41/1066109241.db2.gz OLHBTAHDAQZRIQ-IBGZPJMESA-N 1 1 457.496 4.770 20 0 JJADMO Cc1c(Cn2c(C(C)C)nnc2N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cnn1CC(C)C ZINC001360953099 1066109727 /nfs/dbraw/zinc/10/97/27/1066109727.db2.gz PVPCHQXUZIHUEK-IBGZPJMESA-N 1 1 455.676 4.555 20 0 JJADMO CCOc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1OCC ZINC001442284130 1066111299 /nfs/dbraw/zinc/11/12/99/1066111299.db2.gz ALINOZDXIUJNSP-WOJBJXKFSA-N 1 1 452.595 4.565 20 0 JJADMO Cc1ccoc1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001360955582 1066111923 /nfs/dbraw/zinc/11/19/23/1066111923.db2.gz FXPLKJVKLMASRY-JOCHJYFZSA-N 1 1 481.641 4.532 20 0 JJADMO Cc1ccoc1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001360955582 1066111926 /nfs/dbraw/zinc/11/19/26/1066111926.db2.gz FXPLKJVKLMASRY-JOCHJYFZSA-N 1 1 481.641 4.532 20 0 JJADMO COC(=O)Nc1ccc(CCNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1 ZINC001360956482 1066112872 /nfs/dbraw/zinc/11/28/72/1066112872.db2.gz NAHDLDGUWSBCAU-GGXMVOPNSA-N 1 1 471.601 4.614 20 0 JJADMO C[C@H](Sc1ccccc1Cl)C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC001442297897 1066112989 /nfs/dbraw/zinc/11/29/89/1066112989.db2.gz SDEQTKOLJGGQEP-KRWDZBQOSA-N 1 1 452.451 4.803 20 0 JJADMO CC(C)(C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)cc1F ZINC001442300318 1066113566 /nfs/dbraw/zinc/11/35/66/1066113566.db2.gz TWCCKENFQWPOBP-UHFFFAOYSA-N 1 1 452.401 4.739 20 0 JJADMO Cc1ccsc1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001360956811 1066113609 /nfs/dbraw/zinc/11/36/09/1066113609.db2.gz QWGSKRIKFCFSDF-HXUWFJFHSA-N 1 1 487.645 4.522 20 0 JJADMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC001442331410 1066117116 /nfs/dbraw/zinc/11/71/16/1066117116.db2.gz RSMWDGMYUYIUGT-VQTJNVASSA-N 1 1 451.014 4.972 20 0 JJADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccccc1SCc1nc(C)no1 ZINC001360961413 1066120703 /nfs/dbraw/zinc/12/07/03/1066120703.db2.gz JBEWNVOMYCQLMR-NRFANRHFSA-N 1 1 450.608 4.655 20 0 JJADMO CCC[C@@H](NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)c1ccc(Cl)c(Cl)c1 ZINC001442391453 1066122963 /nfs/dbraw/zinc/12/29/63/1066122963.db2.gz AXJSJDSGWKTUKY-LJQANCHMSA-N 1 1 458.430 4.940 20 0 JJADMO Cc1ccc(NC(=O)c2cc(Cc3ccccc3)ccc2O)cc1NC(=O)C[NH+]1CCCCC1 ZINC001442484124 1066130799 /nfs/dbraw/zinc/13/07/99/1066130799.db2.gz AXJDWCLKHXMXKD-UHFFFAOYSA-N 1 1 457.574 4.968 20 0 JJADMO Cc1ccc(NC(=O)[C@@H](C)CC(=O)c2ccc(Cl)cc2)cc1NC(=O)C[NH+]1CCCCC1 ZINC001442494411 1066131514 /nfs/dbraw/zinc/13/15/14/1066131514.db2.gz UZYDMQYHOBWEES-SFHVURJKSA-N 1 1 455.986 4.920 20 0 JJADMO CC[C@@H](Cn1c(C(C)C)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1)NC(=O)OC(C)(C)C ZINC001545949944 1066138500 /nfs/dbraw/zinc/13/85/00/1066138500.db2.gz ICEGEDIYYXATHI-FQEVSTJZSA-N 1 1 485.677 4.622 20 0 JJADMO CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545950380 1066143302 /nfs/dbraw/zinc/14/33/02/1066143302.db2.gz PKANYMWFQJRUIR-WWNPGLIZSA-N 1 1 484.689 4.806 20 0 JJADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCCC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001360985981 1066149727 /nfs/dbraw/zinc/14/97/27/1066149727.db2.gz QIAGYNGERAFYCE-UHFFFAOYSA-N 1 1 466.674 4.892 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CC1CC1 ZINC001360986736 1066154297 /nfs/dbraw/zinc/15/42/97/1066154297.db2.gz KVIJZQVPIFIDCT-HXUWFJFHSA-N 1 1 490.092 4.893 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C2CCC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001360986987 1066156318 /nfs/dbraw/zinc/15/63/18/1066156318.db2.gz QHWSGGLMTWOABR-LJQANCHMSA-N 1 1 476.065 4.788 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C2CCC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001360986987 1066156320 /nfs/dbraw/zinc/15/63/20/1066156320.db2.gz QHWSGGLMTWOABR-LJQANCHMSA-N 1 1 476.065 4.788 20 0 JJADMO CC(=O)Nc1ccc(Br)cc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001442757008 1066157546 /nfs/dbraw/zinc/15/75/46/1066157546.db2.gz AXUVDPFYIMGDPT-LJQANCHMSA-N 1 1 456.384 4.648 20 0 JJADMO CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001442768456 1066158569 /nfs/dbraw/zinc/15/85/69/1066158569.db2.gz OXALHJOJZPRSFQ-JOCHJYFZSA-N 1 1 458.002 4.646 20 0 JJADMO CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001442768456 1066158573 /nfs/dbraw/zinc/15/85/73/1066158573.db2.gz OXALHJOJZPRSFQ-JOCHJYFZSA-N 1 1 458.002 4.646 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CCCCCCO ZINC001360990266 1066166976 /nfs/dbraw/zinc/16/69/76/1066166976.db2.gz RWPSMOFGCUBVSW-XPNTWCBSSA-N 1 1 490.092 4.914 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCSCC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001360992689 1066172334 /nfs/dbraw/zinc/17/23/34/1066172334.db2.gz RBQKWVKBZOQSKK-XLIONFOSSA-N 1 1 478.106 4.973 20 0 JJADMO CCN(CC)c1ccc2cc(C(=O)NC[C@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)c(=O)oc2c1 ZINC001360996375 1066175221 /nfs/dbraw/zinc/17/52/21/1066175221.db2.gz INIHZIKGWMKHCF-JPYJTQIMSA-N 1 1 453.608 4.514 20 0 JJADMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccn(-c3ccc(Br)cc3)n2)[C@H]1c1cccs1 ZINC001360996852 1066175362 /nfs/dbraw/zinc/17/53/62/1066175362.db2.gz VDEKASGRTOSNGT-YWZLYKJASA-N 1 1 459.413 4.509 20 0 JJADMO Cc1cc(C)c(Cn2c(CC(C)(C)C)nnc2N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c(C)c1 ZINC001361011085 1066194151 /nfs/dbraw/zinc/19/41/51/1066194151.db2.gz HYJWAVYPXHEPPM-PLQXJYEYSA-N 1 1 480.745 4.835 20 0 JJADMO Cc1cc(C)c(NC(=O)CN(C)c2nnc(C3CCCC3)n2CC[N@@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC001361014185 1066200111 /nfs/dbraw/zinc/20/01/11/1066200111.db2.gz JFUPZTOLGLYYOC-LJQANCHMSA-N 1 1 466.674 4.668 20 0 JJADMO Cc1noc(C)c1CN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001361021142 1066213719 /nfs/dbraw/zinc/21/37/19/1066213719.db2.gz RGGMZKUCAWACRB-DEOSSOPVSA-N 1 1 480.657 4.836 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N(Cc3ccco3)C(C)C)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001361024477 1066222807 /nfs/dbraw/zinc/22/28/07/1066222807.db2.gz MKYYTFYYCCYPSJ-UHFFFAOYSA-N 1 1 481.641 4.593 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N(Cc3ccco3)C(C)C)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001361024477 1066222821 /nfs/dbraw/zinc/22/28/21/1066222821.db2.gz MKYYTFYYCCYPSJ-UHFFFAOYSA-N 1 1 481.641 4.593 20 0 JJADMO CC[C@@H](Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[N@H+](C2CCCC2)CC1)OC ZINC001545951987 1066224080 /nfs/dbraw/zinc/22/40/80/1066224080.db2.gz GCZIRZCIXZWWLZ-UPVQGACJSA-N 1 1 469.674 4.915 20 0 JJADMO C[C@@]1(c2cccc(Br)c2)C[C@H]1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC001442834630 1066229084 /nfs/dbraw/zinc/22/90/84/1066229084.db2.gz CUVKKMDQLHAROK-ZCYQVOJMSA-N 1 1 455.440 4.894 20 0 JJADMO CC[C@@]1(C)CC[C@H](Cn2c(Cc3csc(C)n3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)O1 ZINC001546056915 1066230073 /nfs/dbraw/zinc/23/00/73/1066230073.db2.gz LJJIOXVZZRMOBV-RDGATRHJSA-N 1 1 474.719 4.538 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@H]2CCC[C@H](O)C2)c1 ZINC001361027762 1066230335 /nfs/dbraw/zinc/23/03/35/1066230335.db2.gz SLOUCVUBWCTAAD-DQEYMECFSA-N 1 1 483.701 4.582 20 0 JJADMO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)c3ccc(N4CCCCCC4)cc3)C2)ccn1 ZINC001454018304 1066235849 /nfs/dbraw/zinc/23/58/49/1066235849.db2.gz VJVTZPKDFAQUDJ-SANMLTNESA-N 1 1 450.627 4.596 20 0 JJADMO CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2CC(C)(C)[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC001454118172 1066247782 /nfs/dbraw/zinc/24/77/82/1066247782.db2.gz LUCBMSCUORGYKA-SZPZYZBQSA-N 1 1 457.659 4.972 20 0 JJADMO CC[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1)OC ZINC001545953388 1066250683 /nfs/dbraw/zinc/25/06/83/1066250683.db2.gz XGZYQVOVGNCDFI-XQBPLPMBSA-N 1 1 476.065 4.807 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@@]2(O)CCCC2(C)C)c1 ZINC001361035104 1066252331 /nfs/dbraw/zinc/25/23/31/1066252331.db2.gz QKEZDJPCTRUPFI-NDEPHWFRSA-N 1 1 483.701 4.726 20 0 JJADMO CC[C@@H](C)c1nnc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1C[C@@H](CC)NC(=O)OC(C)(C)C ZINC001545953128 1066254329 /nfs/dbraw/zinc/25/43/29/1066254329.db2.gz UKKRKAAURUHFJF-CAUSLRQDSA-N 1 1 496.700 4.663 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001361038782 1066258386 /nfs/dbraw/zinc/25/83/86/1066258386.db2.gz OVJQEPXESCSWOC-UKILVPOCSA-N 1 1 469.674 4.600 20 0 JJADMO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001454268896 1066261187 /nfs/dbraw/zinc/26/11/87/1066261187.db2.gz LOHOOZGJOFGXAQ-AOMKIAJQSA-N 1 1 453.435 4.569 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CCC[N@@H+](C)C2CCCCC2)c1 ZINC001361039644 1066261560 /nfs/dbraw/zinc/26/15/60/1066261560.db2.gz OWRFHIRPTKWANA-QPPBQGQZSA-N 1 1 457.638 4.923 20 0 JJADMO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)[C@@H](F)CN(Cc3ccccc3)Cc3ccccc3)C2)c1 ZINC001454308016 1066267835 /nfs/dbraw/zinc/26/78/35/1066267835.db2.gz DKQZMYNPYDXOJO-NSOVKSMOSA-N 1 1 459.609 4.726 20 0 JJADMO CC[C@]1(C)CC[C@H](Cn2c(CSc3ccccc3OC)nnc2N2CCC[N@H+](C(C)C)CC2)O1 ZINC001546059911 1066270970 /nfs/dbraw/zinc/27/09/70/1066270970.db2.gz SMUSSNJZKLDDKO-QFQXNSOFSA-N 1 1 487.714 4.847 20 0 JJADMO CN1CC[NH+](Cc2cccc(CNC(=O)CSc3cccc4cccc(Cl)c43)c2)CC1 ZINC001443159306 1066276069 /nfs/dbraw/zinc/27/60/69/1066276069.db2.gz YMNPNCBPIVEPJZ-UHFFFAOYSA-N 1 1 454.039 4.649 20 0 JJADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001454399279 1066277185 /nfs/dbraw/zinc/27/71/85/1066277185.db2.gz FENDNXJOOBGAEV-HUVFLSCGSA-N 1 1 451.611 4.669 20 0 JJADMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC001454396035 1066277328 /nfs/dbraw/zinc/27/73/28/1066277328.db2.gz BGETZDSLOJZXBZ-HNAYVOBHSA-N 1 1 454.924 4.583 20 0 JJADMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC001454396549 1066277694 /nfs/dbraw/zinc/27/76/94/1066277694.db2.gz BSUDSPQPZUDIIJ-HTAPYJJXSA-N 1 1 457.496 4.816 20 0 JJADMO Cc1nc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)nn1-c1c(Cl)cccc1Cl ZINC001454404741 1066278893 /nfs/dbraw/zinc/27/88/93/1066278893.db2.gz MQXHQKIRJKFUEW-MGPUTAFESA-N 1 1 458.393 4.523 20 0 JJADMO Cc1cc(-c2nnc(N(C)CCCCCO)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c2ccccc2n1 ZINC001361048799 1066279186 /nfs/dbraw/zinc/27/91/86/1066279186.db2.gz JPWDOCFEVGEHHB-OAQYLSRUSA-N 1 1 478.685 4.911 20 0 JJADMO Cc1cccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001361053478 1066289622 /nfs/dbraw/zinc/28/96/22/1066289622.db2.gz JJFWPTXGQVGEJE-LSYYVWMOSA-N 1 1 483.701 4.632 20 0 JJADMO Cc1ccc(-c2csc(C(=O)N(C)CC(C)(C)C[NH+]3CCOCC3)c2-n2cccc2)cc1 ZINC001546063087 1066296426 /nfs/dbraw/zinc/29/64/26/1066296426.db2.gz FMNGOXKUOCDKPJ-UHFFFAOYSA-N 1 1 451.636 4.945 20 0 JJADMO C[C@](O)(C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001443358083 1066300283 /nfs/dbraw/zinc/30/02/83/1066300283.db2.gz ORGAGDZFQSGGSS-RBBKRZOGSA-N 1 1 454.920 4.737 20 0 JJADMO C[C@](O)(C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001443358083 1066300295 /nfs/dbraw/zinc/30/02/95/1066300295.db2.gz ORGAGDZFQSGGSS-RBBKRZOGSA-N 1 1 454.920 4.737 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)C1CCC1 ZINC001443357453 1066300865 /nfs/dbraw/zinc/30/08/65/1066300865.db2.gz OJTDKHSNFRZRKG-NHCUHLMSSA-N 1 1 450.023 4.504 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)C1CCC1 ZINC001443357453 1066300882 /nfs/dbraw/zinc/30/08/82/1066300882.db2.gz OJTDKHSNFRZRKG-NHCUHLMSSA-N 1 1 450.023 4.504 20 0 JJADMO O=C(CN[C@@H](c1ccccc1)C(F)(F)F)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001443359948 1066301458 /nfs/dbraw/zinc/30/14/58/1066301458.db2.gz VCNLBIGULOFKHI-IRLDBZIGSA-N 1 1 453.936 4.704 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001443384131 1066303920 /nfs/dbraw/zinc/30/39/20/1066303920.db2.gz FBQNQEIHDKLBFG-IBGZPJMESA-N 1 1 455.603 4.667 20 0 JJADMO Cc1cc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)no1 ZINC001361066803 1066306832 /nfs/dbraw/zinc/30/68/32/1066306832.db2.gz SXLZEYCVCWQDOF-IBGZPJMESA-N 1 1 473.021 4.564 20 0 JJADMO CC[C@@]1(C)CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001546063738 1066309094 /nfs/dbraw/zinc/30/90/94/1066309094.db2.gz BKKKDTOWKJZDAC-NVQXNPDNSA-N 1 1 455.647 4.709 20 0 JJADMO Cc1cc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cs1 ZINC001361070660 1066310264 /nfs/dbraw/zinc/31/02/64/1066310264.db2.gz ROLSVIHYSHAXCR-IBGZPJMESA-N 1 1 487.645 4.522 20 0 JJADMO Cc1cc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cs1 ZINC001361070660 1066310290 /nfs/dbraw/zinc/31/02/90/1066310290.db2.gz ROLSVIHYSHAXCR-IBGZPJMESA-N 1 1 487.645 4.522 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N(C)[C@@H]2CCSC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001361087304 1066326426 /nfs/dbraw/zinc/32/64/26/1066326426.db2.gz GHAFGVUJAFWPLR-PZJWPPBQSA-N 1 1 478.106 4.678 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CCC(C)C ZINC001361088033 1066328886 /nfs/dbraw/zinc/32/88/86/1066328886.db2.gz FFRCZHDEUGTZDT-IRLDBZIGSA-N 1 1 460.066 4.971 20 0 JJADMO CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001443551706 1066328952 /nfs/dbraw/zinc/32/89/52/1066328952.db2.gz OZWHTPYRYWWWIH-GOTSBHOMSA-N 1 1 457.659 4.973 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@H](C)[C@@H]2C)n1CC[N@@H+]1CCOCC1(C)C ZINC001361088635 1066332253 /nfs/dbraw/zinc/33/22/53/1066332253.db2.gz KMUVYIHIOBTSLV-FPOVZHCZSA-N 1 1 490.092 4.597 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@H](C)[C@@H]2C)n1CC[N@H+]1CCOCC1(C)C ZINC001361088635 1066332265 /nfs/dbraw/zinc/33/22/65/1066332265.db2.gz KMUVYIHIOBTSLV-FPOVZHCZSA-N 1 1 490.092 4.597 20 0 JJADMO C[N@@H+](CCN1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC1)Cc1ccccc1 ZINC001443590889 1066334266 /nfs/dbraw/zinc/33/42/66/1066334266.db2.gz ZLDSWGSRXLOHPW-UHFFFAOYSA-N 1 1 454.039 4.958 20 0 JJADMO Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001454854926 1066336367 /nfs/dbraw/zinc/33/63/67/1066336367.db2.gz SUNMGDYHACMQNQ-ISKFKSNPSA-N 1 1 451.611 4.732 20 0 JJADMO CC[C@]1(C)CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001546066094 1066339159 /nfs/dbraw/zinc/33/91/59/1066339159.db2.gz GTOABWWCIJIQQM-NIYFSFCBSA-N 1 1 455.647 4.850 20 0 JJADMO COc1ccccc1/C=C(\C(=O)NC[C@H]1C[N@H+](Cc2ccccc2C)CCO1)c1ccccc1 ZINC001454918681 1066341985 /nfs/dbraw/zinc/34/19/85/1066341985.db2.gz IOOKHTICOHRWSO-QUCUAOCBSA-N 1 1 456.586 4.561 20 0 JJADMO COc1ccccc1/C=C(\C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2C)CCO1)c1ccccc1 ZINC001454918681 1066342004 /nfs/dbraw/zinc/34/20/04/1066342004.db2.gz IOOKHTICOHRWSO-QUCUAOCBSA-N 1 1 456.586 4.561 20 0 JJADMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2nn(-c3ccccc3F)cc2Br)c1 ZINC001443649383 1066344721 /nfs/dbraw/zinc/34/47/21/1066344721.db2.gz XRXOJFFOBORAKX-UHFFFAOYSA-N 1 1 459.363 4.544 20 0 JJADMO C[N@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(C(F)F)c1 ZINC001454974622 1066348716 /nfs/dbraw/zinc/34/87/16/1066348716.db2.gz KGSPDTWMAJDZAJ-IBGZPJMESA-N 1 1 451.489 4.727 20 0 JJADMO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Br)C2)cc1 ZINC001455005893 1066351931 /nfs/dbraw/zinc/35/19/31/1066351931.db2.gz ABGRPQPZRANWBX-CRAIPNDOSA-N 1 1 451.792 4.569 20 0 JJADMO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)C2)cc1 ZINC001455012602 1066353690 /nfs/dbraw/zinc/35/36/90/1066353690.db2.gz PVHASTWWMYLSJM-OYDLWJJNSA-N 1 1 451.611 4.588 20 0 JJADMO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3cc(Br)cc(Br)c3)C2)cc1 ZINC001455015523 1066354325 /nfs/dbraw/zinc/35/43/25/1066354325.db2.gz VWYXTJYBVNTDBO-SFHVURJKSA-N 1 1 452.190 4.524 20 0 JJADMO Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N(C)C[C@H]3CCCC[N@H+]3Cc3ccccc3)c2)n1 ZINC001455083025 1066358641 /nfs/dbraw/zinc/35/86/41/1066358641.db2.gz VTVWGEGPTAAYEC-HSZRJFAPSA-N 1 1 459.594 4.669 20 0 JJADMO CC[C@@]1(C)CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001546068601 1066359949 /nfs/dbraw/zinc/35/99/49/1066359949.db2.gz SILLYVGBILBSJQ-DVECYGJZSA-N 1 1 490.490 4.691 20 0 JJADMO Cc1nc(Cc2nnc(N(C)CCOc3cccc(C)c3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC001361112847 1066364025 /nfs/dbraw/zinc/36/40/25/1066364025.db2.gz ADWNXZLNCBQXNQ-QFIPXVFZSA-N 1 1 482.698 4.578 20 0 JJADMO CCC[N@@H+](CC)Cc1ccc(C(=O)NC2(c3ccccc3)CN(C(=O)OC(C)(C)C)C2)cc1 ZINC001455138202 1066364615 /nfs/dbraw/zinc/36/46/15/1066364615.db2.gz PCRDRHOVBUWUCK-UHFFFAOYSA-N 1 1 451.611 4.795 20 0 JJADMO O=Cc1ccc(OC(F)(F)C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC001443772518 1066366381 /nfs/dbraw/zinc/36/63/81/1066366381.db2.gz VNSMXTQKJQNVBH-UHFFFAOYSA-N 1 1 457.304 4.558 20 0 JJADMO Cc1ccc(C(=O)NC2CCN(c3nnc(C(C)C)n3CCCC[N@H+]3CCCC[C@@H]3C)CC2)s1 ZINC001361117324 1066368682 /nfs/dbraw/zinc/36/86/82/1066368682.db2.gz DZNMBVXNQNQJLX-FQEVSTJZSA-N 1 1 486.730 4.825 20 0 JJADMO C[N@@H+](CCCOc1ccccc1CNC(=O)[C@@H]1CCN(c2ccccc2F)C1)C1CCCC1 ZINC001361118961 1066370570 /nfs/dbraw/zinc/37/05/70/1066370570.db2.gz LJXKLXJTBXMZQD-JOCHJYFZSA-N 1 1 453.602 4.612 20 0 JJADMO C/C(=C/C(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1ccccc1)C[C@H](C)O2)c1ccccc1OC(F)F ZINC001455213058 1066371455 /nfs/dbraw/zinc/37/14/55/1066371455.db2.gz SYCYRSFAJUROSX-DIEQOXGVSA-N 1 1 456.533 4.583 20 0 JJADMO C/C(=C/C(=O)N1CC[C@@]2(C1)C[N@H+](Cc1ccccc1)C[C@H](C)O2)c1ccccc1OC(F)F ZINC001455213058 1066371469 /nfs/dbraw/zinc/37/14/69/1066371469.db2.gz SYCYRSFAJUROSX-DIEQOXGVSA-N 1 1 456.533 4.583 20 0 JJADMO Cc1cccc(NC[C@@H]2CCCN2C(=O)c2ccc(Br)c(OC(F)(F)F)c2)[nH+]1 ZINC001443872627 1066378456 /nfs/dbraw/zinc/37/84/56/1066378456.db2.gz MXHGWSHRTMPNFG-AWEZNQCLSA-N 1 1 458.278 4.768 20 0 JJADMO Cc1cccc(NC[C@H]2CCCN2C(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)[nH+]1 ZINC001443876640 1066379733 /nfs/dbraw/zinc/37/97/33/1066379733.db2.gz SEMRTXXZSUVNDO-LJQANCHMSA-N 1 1 455.628 4.619 20 0 JJADMO O=C(Nc1ccc(OCCc2ccccc2)nc1)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC001443961626 1066388055 /nfs/dbraw/zinc/38/80/55/1066388055.db2.gz HIYGKGIAVBYOFX-HSZRJFAPSA-N 1 1 451.517 4.799 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H]3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001361127302 1066388111 /nfs/dbraw/zinc/38/81/11/1066388111.db2.gz HFWDRTHAQCNVKR-LADGPHEKSA-N 1 1 469.674 4.634 20 0 JJADMO CC[C@@]1(C)CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C1 ZINC001546072591 1066389563 /nfs/dbraw/zinc/38/95/63/1066389563.db2.gz HKOQHGRGSFWPGG-ZBLYBZFDSA-N 1 1 453.675 4.762 20 0 JJADMO CC[C@@]1(C)CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C1 ZINC001546072591 1066389583 /nfs/dbraw/zinc/38/95/83/1066389583.db2.gz HKOQHGRGSFWPGG-ZBLYBZFDSA-N 1 1 453.675 4.762 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H](C)C3)n2CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001361128566 1066392787 /nfs/dbraw/zinc/39/27/87/1066392787.db2.gz ZLUKEIOXHHFMNT-QFIPXVFZSA-N 1 1 469.674 4.636 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H](C)C3)n2CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001361128566 1066392802 /nfs/dbraw/zinc/39/28/02/1066392802.db2.gz ZLUKEIOXHHFMNT-QFIPXVFZSA-N 1 1 469.674 4.636 20 0 JJADMO CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC001455456004 1066392747 /nfs/dbraw/zinc/39/27/47/1066392747.db2.gz MXPNIBSDIOBXKJ-DNQXCXABSA-N 1 1 459.556 4.578 20 0 JJADMO CCc1nc(C[NH+]2CCC(CNC(=O)CCOc3ccc(Cl)c(Cl)c3)CC2)cs1 ZINC001444012817 1066394676 /nfs/dbraw/zinc/39/46/76/1066394676.db2.gz CEWMCVXONIGRHT-UHFFFAOYSA-N 1 1 456.439 4.810 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C)C3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001361130805 1066396504 /nfs/dbraw/zinc/39/65/04/1066396504.db2.gz ROCRHPQDNMXUIF-RJGXRXQPSA-N 1 1 469.674 4.634 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001361132498 1066403300 /nfs/dbraw/zinc/40/33/00/1066403300.db2.gz ZMZDMODDECEKQX-SZPZYZBQSA-N 1 1 457.663 4.633 20 0 JJADMO O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cc(OCc2ccccc2)ccn1 ZINC001444128870 1066410354 /nfs/dbraw/zinc/41/03/54/1066410354.db2.gz GUQMOTRDMVQFOE-NRFANRHFSA-N 1 1 455.480 4.684 20 0 JJADMO Cc1cc(C)c(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1I ZINC001444163039 1066422682 /nfs/dbraw/zinc/42/26/82/1066422682.db2.gz FJCFOLPSMUNKMO-MSOLQXFVSA-N 1 1 454.396 4.635 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)[C@H]3CCSC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361145665 1066429517 /nfs/dbraw/zinc/42/95/17/1066429517.db2.gz FOVHPUCAMUAFNN-IRLDBZIGSA-N 1 1 471.715 4.926 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001361148730 1066436855 /nfs/dbraw/zinc/43/68/55/1066436855.db2.gz UVEUFAYJEWJFRE-QTJGBDASSA-N 1 1 469.674 4.600 20 0 JJADMO CCOC(=O)[C@H](C[C@H](C)CC)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001455828128 1066439630 /nfs/dbraw/zinc/43/96/30/1066439630.db2.gz MWRNRLJYRAHYDA-ZFILCQGISA-N 1 1 450.623 4.695 20 0 JJADMO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)CC[N@H+]1Cc1ccccc1 ZINC001444292831 1066443967 /nfs/dbraw/zinc/44/39/67/1066443967.db2.gz HGUGYANGLPIGHF-NQIIRXRSSA-N 1 1 453.583 4.864 20 0 JJADMO CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001444325408 1066449342 /nfs/dbraw/zinc/44/93/42/1066449342.db2.gz VWZGWVJBLUYAFZ-WXFUMESZSA-N 1 1 455.643 4.679 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C ZINC001444429322 1066461357 /nfs/dbraw/zinc/46/13/57/1066461357.db2.gz IYHHVVWNEWBXFW-JOCHJYFZSA-N 1 1 457.615 4.857 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C ZINC001444429322 1066461365 /nfs/dbraw/zinc/46/13/65/1066461365.db2.gz IYHHVVWNEWBXFW-JOCHJYFZSA-N 1 1 457.615 4.857 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC[C@H]2C[C@H](F)C2)c1 ZINC001361158922 1066461817 /nfs/dbraw/zinc/46/18/17/1066461817.db2.gz IQEQHOSXJZNOEM-HZCBDIJESA-N 1 1 457.638 4.923 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCCO[C@H](C)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001361158980 1066462728 /nfs/dbraw/zinc/46/27/28/1066462728.db2.gz KUILTYIKZQVUGB-JTHBVZDNSA-N 1 1 469.674 4.600 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCO[C@@H]2CCCC[C@H]2C)c1 ZINC001361159230 1066463935 /nfs/dbraw/zinc/46/39/35/1066463935.db2.gz SXPAOIOWPQIODV-ILBGXUMGSA-N 1 1 483.701 4.990 20 0 JJADMO CC(C)(C)OC(=O)/C=C\c1cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)co1 ZINC001361161457 1066467192 /nfs/dbraw/zinc/46/71/92/1066467192.db2.gz YVWFAUNRPUWJMT-KDFWIBFYSA-N 1 1 450.579 4.763 20 0 JJADMO C[C@@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001444506209 1066469325 /nfs/dbraw/zinc/46/93/25/1066469325.db2.gz UFWIOVQJGBIKHW-NRFANRHFSA-N 1 1 455.643 4.822 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCS[C@H](C)C3)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001361164119 1066474777 /nfs/dbraw/zinc/47/47/77/1066474777.db2.gz WCMUREPAPUUNEB-OAQYLSRUSA-N 1 1 457.688 4.538 20 0 JJADMO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1 ZINC001456017647 1066475823 /nfs/dbraw/zinc/47/58/23/1066475823.db2.gz KQBIYCVLEIPCBL-SVBPBHIXSA-N 1 1 455.602 4.716 20 0 JJADMO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1 ZINC001456017647 1066475829 /nfs/dbraw/zinc/47/58/29/1066475829.db2.gz KQBIYCVLEIPCBL-SVBPBHIXSA-N 1 1 455.602 4.716 20 0 JJADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)COc1ccc(C2SCCCS2)cc1 ZINC001361166584 1066477691 /nfs/dbraw/zinc/47/76/91/1066477691.db2.gz YKSNPGDOYWQMOY-OAQYLSRUSA-N 1 1 456.677 4.915 20 0 JJADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)C[C@H]1C ZINC001444614550 1066483706 /nfs/dbraw/zinc/48/37/06/1066483706.db2.gz KJNZAWABGGQZKL-UYAOXDASSA-N 1 1 455.002 4.600 20 0 JJADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)c3cccc(C(F)(F)F)c3F)CC2)c1C ZINC001456034640 1066485010 /nfs/dbraw/zinc/48/50/10/1066485010.db2.gz AEIHJXPIRCUPRC-UHFFFAOYSA-N 1 1 453.480 4.602 20 0 JJADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)c3sc(C4CCCC4)nc3C)CC2)c1C ZINC001456037428 1066486433 /nfs/dbraw/zinc/48/64/33/1066486433.db2.gz HTWNMOWJODLWNH-UHFFFAOYSA-N 1 1 456.656 4.866 20 0 JJADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)/C=C\c3cnc(C(C)(C)C)s3)CC2)c1C ZINC001456038881 1066487119 /nfs/dbraw/zinc/48/71/19/1066487119.db2.gz OIHRRWNVFZPNHZ-HJWRWDBZSA-N 1 1 456.656 4.597 20 0 JJADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)Cc3csc4sc(C)cc34)CC2)c1C ZINC001456038258 1066487144 /nfs/dbraw/zinc/48/71/44/1066487144.db2.gz MDBGQUVOHJARBV-UHFFFAOYSA-N 1 1 457.665 4.957 20 0 JJADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)CO[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)CC2)c1C ZINC001456041795 1066488807 /nfs/dbraw/zinc/48/88/07/1066488807.db2.gz WYSRFPKCQIEQOI-RZPHLTDDSA-N 1 1 459.675 4.607 20 0 JJADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)c1 ZINC001456047734 1066492346 /nfs/dbraw/zinc/49/23/46/1066492346.db2.gz LRQCKBZJKSDPSB-RTWAWAEBSA-N 1 1 469.383 4.929 20 0 JJADMO Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)cc1 ZINC001456055395 1066496059 /nfs/dbraw/zinc/49/60/59/1066496059.db2.gz YDRRGZWWNFNDPR-RUZDIDTESA-N 1 1 459.615 4.781 20 0 JJADMO COc1ccc([C@H](NC(=O)CCC[NH+]2CCN(C(C)C)CC2)c2ccccc2Cl)c(C)c1 ZINC001444710682 1066496644 /nfs/dbraw/zinc/49/66/44/1066496644.db2.gz ZFONDVXNTNJBCH-SANMLTNESA-N 1 1 458.046 4.669 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CC3CCCCC3)n2CCC[NH+]2CCOCC2)cc1Br ZINC001361183426 1066505657 /nfs/dbraw/zinc/50/56/57/1066505657.db2.gz KCLXLVYIVFIDSX-UHFFFAOYSA-N 1 1 490.490 4.755 20 0 JJADMO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)CC1 ZINC001444849573 1066511992 /nfs/dbraw/zinc/51/19/92/1066511992.db2.gz RZFCSYOCXOQNFM-IBGZPJMESA-N 1 1 453.384 4.748 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCC3CC3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1Br ZINC001361187511 1066512660 /nfs/dbraw/zinc/51/26/60/1066512660.db2.gz UYAYLYCDSXFIIV-QGZVFWFLSA-N 1 1 460.464 4.984 20 0 JJADMO O=C(c1ccc2ccc(O)cc2c1O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001444868659 1066514913 /nfs/dbraw/zinc/51/49/13/1066514913.db2.gz SOLOBSIODTZWEG-SFHVURJKSA-N 1 1 458.480 4.778 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCOc3ccc(F)cc3)n2CCC[N@@H+]2CCCC[C@@H]2C)o1 ZINC001361190778 1066516122 /nfs/dbraw/zinc/51/61/22/1066516122.db2.gz SDCABOWEHVIDKA-IBGZPJMESA-N 1 1 455.578 4.765 20 0 JJADMO Cc1ccc(-c2nnc(N(C)C[C@@H]3CCC[N@@H+](C)[C@H]3c3cnn(C)c3)n2CC(C)(C)C(F)(F)F)o1 ZINC001361190610 1066516156 /nfs/dbraw/zinc/51/61/56/1066516156.db2.gz NCNJFHTZPCGSBP-FXAWDEMLSA-N 1 1 493.578 4.688 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCOc3cccc(Cl)c3)n2CC[N@@H+](C)C2CCCC2)o1 ZINC001361190996 1066516673 /nfs/dbraw/zinc/51/66/73/1066516673.db2.gz XTTCGKKVSANEFV-UHFFFAOYSA-N 1 1 458.006 4.890 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)OC1CCCC1 ZINC001361191379 1066517794 /nfs/dbraw/zinc/51/77/94/1066517794.db2.gz RATIEGCIXVLKOL-UHFFFAOYSA-N 1 1 473.419 4.922 20 0 JJADMO CC[C@@H](c1ccccc1)N1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001361192143 1066519327 /nfs/dbraw/zinc/51/93/27/1066519327.db2.gz HZWFIICPBAUOLH-UKILVPOCSA-N 1 1 459.556 4.737 20 0 JJADMO CC[C@@H](c1ccccc1)N1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001361192143 1066519334 /nfs/dbraw/zinc/51/93/34/1066519334.db2.gz HZWFIICPBAUOLH-UKILVPOCSA-N 1 1 459.556 4.737 20 0 JJADMO Cc1ccc(-c2nnc(N3C[C@H](C)[C@H](C)C3)n2CC[N@@H+](C)C2CCCC2)cc1Br ZINC001361194255 1066520594 /nfs/dbraw/zinc/52/05/94/1066520594.db2.gz INDGHBNNBXRRHP-HDICACEKSA-N 1 1 460.464 4.983 20 0 JJADMO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc(Br)ccc2OC(F)F)CC1 ZINC001361193808 1066520626 /nfs/dbraw/zinc/52/06/26/1066520626.db2.gz ZHXRWLXTANYZKR-SFHVURJKSA-N 1 1 453.327 4.960 20 0 JJADMO Cc1ccc(-c2nnc(N3C[C@@H](C)[C@H](C)C3)n2CC[N@@H+](C)C2CCCC2)cc1Br ZINC001361194256 1066520671 /nfs/dbraw/zinc/52/06/71/1066520671.db2.gz INDGHBNNBXRRHP-QZTJIDSGSA-N 1 1 460.464 4.983 20 0 JJADMO C[C@@H](c1ccc(NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)cc1)N1CCOCC1 ZINC001456158959 1066525834 /nfs/dbraw/zinc/52/58/34/1066525834.db2.gz XOOMEDKHPKDMPT-YADHBBJMSA-N 1 1 451.611 4.585 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2CC[N@@H+]2CCC[C@H]2C)o1 ZINC001361199996 1066529531 /nfs/dbraw/zinc/52/95/31/1066529531.db2.gz KZRZECXGWSMGPH-CYBMUJFWSA-N 1 1 465.442 4.652 20 0 JJADMO CCCOc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCCC ZINC001445043941 1066533116 /nfs/dbraw/zinc/53/31/16/1066533116.db2.gz CTJKXKTXJAKEEO-TZIWHRDSSA-N 1 1 452.595 4.708 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)n2CC[S@@](=O)C(C)(C)C)o1 ZINC001361204207 1066534761 /nfs/dbraw/zinc/53/47/61/1066534761.db2.gz POOZUALIGJYSAJ-NMWVFERUSA-N 1 1 489.730 4.875 20 0 JJADMO C[N@@H+](CCCOc1ccccc1CNC(=O)C[C@@H]1CCc2sccc2C1=O)C1CCCC1 ZINC001445057031 1066534722 /nfs/dbraw/zinc/53/47/22/1066534722.db2.gz MLKPWQYTBYYIID-IBGZPJMESA-N 1 1 454.636 4.843 20 0 JJADMO Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc12 ZINC001445054885 1066534844 /nfs/dbraw/zinc/53/48/44/1066534844.db2.gz PAFVGKNXIFUWKP-BLLLJJGKSA-N 1 1 451.423 4.974 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)o1 ZINC001361205249 1066536318 /nfs/dbraw/zinc/53/63/18/1066536318.db2.gz GXTILMOVORHXRL-LJQANCHMSA-N 1 1 488.677 4.659 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[C@@H]([N@@H+](C)Cc4ccccc4)C3)n2CC(F)(F)Br)o1 ZINC001361206976 1066538868 /nfs/dbraw/zinc/53/88/68/1066538868.db2.gz DNNMNYMQGXYHBK-QGZVFWFLSA-N 1 1 480.357 4.545 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H](c2ccccc2Cl)N(C)C)o1 ZINC001361207432 1066540039 /nfs/dbraw/zinc/54/00/39/1066540039.db2.gz SVLPWYWASSEFGP-JOCHJYFZSA-N 1 1 471.049 4.770 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[C@@H](OCC(C)C)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)cc1Br ZINC001361209287 1066542325 /nfs/dbraw/zinc/54/23/25/1066542325.db2.gz SFPDLTVHYYOKLZ-WIYYLYMNSA-N 1 1 490.490 4.750 20 0 JJADMO CCc1ccc([C@H](C)CC(=O)N2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)cc1 ZINC001445176403 1066543475 /nfs/dbraw/zinc/54/34/75/1066543475.db2.gz UDFCVSSMXAVBDR-LJQANCHMSA-N 1 1 452.624 4.631 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3cccc(CSC4CCOCC4)c3)cc2)C[C@H](C)O1 ZINC001456245601 1066544787 /nfs/dbraw/zinc/54/47/87/1066544787.db2.gz ACRNYKVHCCEXQL-BGYRXZFFSA-N 1 1 454.636 4.960 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3cccc(CSC4CCOCC4)c3)cc2)C[C@H](C)O1 ZINC001456245601 1066544799 /nfs/dbraw/zinc/54/47/99/1066544799.db2.gz ACRNYKVHCCEXQL-BGYRXZFFSA-N 1 1 454.636 4.960 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)o1 ZINC001361214244 1066550068 /nfs/dbraw/zinc/55/00/68/1066550068.db2.gz LEUBHQGLBFIXBM-GGAORHGYSA-N 1 1 498.716 4.737 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)n2CCC[N@H+](C)C(C)C)o1 ZINC001361214906 1066552118 /nfs/dbraw/zinc/55/21/18/1066552118.db2.gz ZUBARQBTEQVGIQ-SFHVURJKSA-N 1 1 479.551 4.634 20 0 JJADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Cl)[C@@H](C)C1 ZINC001456298152 1066557484 /nfs/dbraw/zinc/55/74/84/1066557484.db2.gz FYBYDWHQPKBXBX-JXFKEZNVSA-N 1 1 454.011 4.554 20 0 JJADMO O=C([C@@H]1C[C@@H]1c1cc(F)ccc1F)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001361220644 1066557894 /nfs/dbraw/zinc/55/78/94/1066557894.db2.gz XZLZBFAKUHIPMP-FBBABVLZSA-N 1 1 452.467 4.981 20 0 JJADMO Cc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2CCC[N@H+]2CCCC[C@@H]2C)cc1Br ZINC001361227636 1066566654 /nfs/dbraw/zinc/56/66/54/1066566654.db2.gz RVOWEVTXCRNUDX-OALUTQOASA-N 1 1 476.463 4.506 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCSC[C@H]1C ZINC001361230869 1066570565 /nfs/dbraw/zinc/57/05/65/1066570565.db2.gz DXRVHRCLHJTJFA-QGZVFWFLSA-N 1 1 489.487 4.943 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001456399264 1066578865 /nfs/dbraw/zinc/57/88/65/1066578865.db2.gz MTKAJWDCSVDKBR-LUGTWXOSSA-N 1 1 457.659 4.637 20 0 JJADMO O=C(CSCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001445527789 1066583275 /nfs/dbraw/zinc/58/32/75/1066583275.db2.gz URMNZMUBNQLDQX-JTHBVZDNSA-N 1 1 457.039 4.769 20 0 JJADMO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC001445529645 1066583297 /nfs/dbraw/zinc/58/32/97/1066583297.db2.gz WNOOCEWUHVALCQ-BUZMGHMJSA-N 1 1 455.643 4.535 20 0 JJADMO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001445531669 1066583685 /nfs/dbraw/zinc/58/36/85/1066583685.db2.gz YLZRJYYFLKLQJH-JXHRLWIKSA-N 1 1 457.412 4.730 20 0 JJADMO CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc1 ZINC001445531738 1066583855 /nfs/dbraw/zinc/58/38/55/1066583855.db2.gz ZJZLZSMMRSDEIW-NFBKMPQASA-N 1 1 450.583 4.555 20 0 JJADMO O=C(/C(F)=C/c1ccc(C(F)(F)F)cc1)N1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001456435884 1066585499 /nfs/dbraw/zinc/58/54/99/1066585499.db2.gz GLHUIHSBJHAFGM-XLNRJJMWSA-N 1 1 450.476 4.767 20 0 JJADMO C[C@H]1CC[C@H](c2nc(CC(=O)N3CCC[N@@H+](Cc4ccccc4)CCOCC3)cs2)CC1 ZINC001456437317 1066586023 /nfs/dbraw/zinc/58/60/23/1066586023.db2.gz MKRVVWBIITYMPF-AFARHQOCSA-N 1 1 455.668 4.730 20 0 JJADMO O=C(CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)OCc1ccccc1 ZINC001445565725 1066588396 /nfs/dbraw/zinc/58/83/96/1066588396.db2.gz GUUPELAQBFBNTN-IZZNHLLZSA-N 1 1 477.004 4.805 20 0 JJADMO Cc1ccc(CN(C)c2nnc(C(C)(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)s1 ZINC001361247109 1066589323 /nfs/dbraw/zinc/58/93/23/1066589323.db2.gz PLTKMXJDKZZFNO-QFIPXVFZSA-N 1 1 467.683 4.873 20 0 JJADMO Cc1ccc(CN(C)c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCC[N@H+](C(C)C)C2)o1 ZINC001361249781 1066594054 /nfs/dbraw/zinc/59/40/54/1066594054.db2.gz FPVDRSLLFYRZMY-GOSISDBHSA-N 1 1 489.462 4.704 20 0 JJADMO COc1ccc2cc(/C=C/C(=O)Nc3ccc(C(=O)N(C)[C@H]4CCC[N@@H+](C)C4)cc3)ccc2c1 ZINC001456489899 1066597475 /nfs/dbraw/zinc/59/74/75/1066597475.db2.gz NEBSKPBUCCTUDP-KVTOOOBYSA-N 1 1 457.574 4.667 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1[C@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C ZINC001456491138 1066597922 /nfs/dbraw/zinc/59/79/22/1066597922.db2.gz TVJTZWPOXNAMQA-KAMZKSLDSA-N 1 1 455.643 4.535 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1[C@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C ZINC001456491138 1066597932 /nfs/dbraw/zinc/59/79/32/1066597932.db2.gz TVJTZWPOXNAMQA-KAMZKSLDSA-N 1 1 455.643 4.535 20 0 JJADMO CN(C(=O)c1ccc(NC(=O)c2c(Cl)cccc2OCC2CC2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC001456498454 1066600898 /nfs/dbraw/zinc/60/08/98/1066600898.db2.gz HMSAZMCQCWPUMH-FQEVSTJZSA-N 1 1 455.986 4.547 20 0 JJADMO CN(C(=O)c1ccc(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001456501695 1066602854 /nfs/dbraw/zinc/60/28/54/1066602854.db2.gz WIMRKJCGRYPBSL-OAQYLSRUSA-N 1 1 459.512 4.542 20 0 JJADMO Cc1ccc(CN(C)c2nnc(Cc3ccccc3F)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)o1 ZINC001361257885 1066606263 /nfs/dbraw/zinc/60/62/63/1066606263.db2.gz KOWPNLYSCYLGQV-OAQYLSRUSA-N 1 1 453.606 4.914 20 0 JJADMO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N[C@H]2CCN(c3ccccc3Br)C2)c1 ZINC001456512575 1066607676 /nfs/dbraw/zinc/60/76/76/1066607676.db2.gz XOQKWAQVDQHRTF-REWPJTCUSA-N 1 1 456.428 4.507 20 0 JJADMO Cc1ccc(CN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H](C)C[NH+]2CCOCC2)o1 ZINC001361261850 1066614919 /nfs/dbraw/zinc/61/49/19/1066614919.db2.gz YUXIYRYYXZFLEO-OAQYLSRUSA-N 1 1 495.668 4.661 20 0 JJADMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001445778291 1066615886 /nfs/dbraw/zinc/61/58/86/1066615886.db2.gz CLBRMPQIIOBSJH-SJCJKPOMSA-N 1 1 450.764 4.502 20 0 JJADMO C[C@@H]1C[C@@H](NC(=O)c2ccc(Br)c(OC(F)(F)F)c2)C[N@H+]1Cc1ccccc1 ZINC001445784972 1066616683 /nfs/dbraw/zinc/61/66/83/1066616683.db2.gz GONWHNAKJPQGOI-CZUORRHYSA-N 1 1 457.290 4.741 20 0 JJADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C ZINC001445790300 1066618041 /nfs/dbraw/zinc/61/80/41/1066618041.db2.gz RWMMBGFNZFLDIQ-OMWUSAIZSA-N 1 1 456.414 4.500 20 0 JJADMO CC[C@@H](C(=O)N[C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)N(C)C(=O)OC(C)(C)C ZINC001456546109 1066621949 /nfs/dbraw/zinc/62/19/49/1066621949.db2.gz KNHGCOHXUCXDSG-IBGGVINMSA-N 1 1 465.638 4.806 20 0 JJADMO CN(CCCC(=O)N[C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C(=O)OC(C)(C)C ZINC001456551140 1066623047 /nfs/dbraw/zinc/62/30/47/1066623047.db2.gz PXFPMWVKIACZIQ-RBJSKKJNSA-N 1 1 465.638 4.808 20 0 JJADMO Cc1c(Br)cncc1C(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC001361278612 1066636012 /nfs/dbraw/zinc/63/60/12/1066636012.db2.gz BZXFFQOWWQVKRZ-UHFFFAOYSA-N 1 1 452.396 4.927 20 0 JJADMO Cc1ccccc1OCCCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001492598635 1066647901 /nfs/dbraw/zinc/64/79/01/1066647901.db2.gz NJBAKDDKTKEBIP-QPTUXGOLSA-N 1 1 469.674 4.506 20 0 JJADMO Cc1ccccc1OCCCN(C)c1nnc(-c2ccc(Cl)nc2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001492598671 1066648577 /nfs/dbraw/zinc/64/85/77/1066648577.db2.gz ORSWPOUNXIUIIX-FQEVSTJZSA-N 1 1 469.033 4.692 20 0 JJADMO O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC001446085180 1066657392 /nfs/dbraw/zinc/65/73/92/1066657392.db2.gz GQMSFOFZFNZLPK-WIOPSUGQSA-N 1 1 452.595 4.862 20 0 JJADMO CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001456650853 1066658805 /nfs/dbraw/zinc/65/88/05/1066658805.db2.gz QMEJVEYSBBITOV-JPYHZWLXSA-N 1 1 465.638 4.854 20 0 JJADMO CC[C@H](Cn1c(C2CC2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)NC(=O)OC(C)(C)C ZINC001545983188 1066675715 /nfs/dbraw/zinc/67/57/15/1066675715.db2.gz YKACWYRHGGMCIR-TUNNFDKTSA-N 1 1 474.694 4.550 20 0 JJADMO CC1=CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001492613706 1066677014 /nfs/dbraw/zinc/67/70/14/1066677014.db2.gz GAYKDSOJQBELAS-MZYLBHOOSA-N 1 1 486.705 4.717 20 0 JJADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(F)(F)c1ccccc1Br ZINC001456736885 1066678284 /nfs/dbraw/zinc/67/82/84/1066678284.db2.gz OBSCFIJWHKMNJW-SFHVURJKSA-N 1 1 451.355 4.912 20 0 JJADMO CC1=CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001492614994 1066679775 /nfs/dbraw/zinc/67/97/75/1066679775.db2.gz WMZOYQJHPLNIHV-SZPZYZBQSA-N 1 1 499.103 4.776 20 0 JJADMO COc1cccc(COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)c1OC(F)F ZINC001456770302 1066685296 /nfs/dbraw/zinc/68/52/96/1066685296.db2.gz QWVZPFWCFXJEJS-RTBURBONSA-N 1 1 474.529 4.712 20 0 JJADMO Cc1cnn([C@@H]2CCCN(c3nnc([C@@H](C)Oc4ccccc4F)n3CCC[N@H+](C)C(C)C)C2)c1 ZINC001492620369 1066689900 /nfs/dbraw/zinc/68/99/00/1066689900.db2.gz DGTDRRVZRHRTQH-FGZHOGPDSA-N 1 1 483.636 4.634 20 0 JJADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)CCc1ccc(OC(F)(F)F)cc1 ZINC001446323093 1066690470 /nfs/dbraw/zinc/69/04/70/1066690470.db2.gz MIBJHODSDSQKIH-FQEVSTJZSA-N 1 1 450.501 4.737 20 0 JJADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(COc2ccc(C)nc2)c1 ZINC001446326714 1066691139 /nfs/dbraw/zinc/69/11/39/1066691139.db2.gz VYSGLQGJSHHVRF-VWLOTQADSA-N 1 1 459.590 4.801 20 0 JJADMO CC(C)(CO)[C@@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1)c1ccccc1 ZINC001446431605 1066705189 /nfs/dbraw/zinc/70/51/89/1066705189.db2.gz YUGHCSZKFNHBPP-WTNLLYQRSA-N 1 1 470.657 4.995 20 0 JJADMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001446516483 1066713496 /nfs/dbraw/zinc/71/34/96/1066713496.db2.gz SMNVOMPBBKETEZ-NZRJUOQRSA-N 1 1 472.674 4.532 20 0 JJADMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001446516483 1066713509 /nfs/dbraw/zinc/71/35/09/1066713509.db2.gz SMNVOMPBBKETEZ-NZRJUOQRSA-N 1 1 472.674 4.532 20 0 JJADMO C[NH+](C)[C@H](C(=O)N1CCOc2c(Cl)cc(Br)cc2C1)c1ccc(Cl)cc1 ZINC001456898544 1066716992 /nfs/dbraw/zinc/71/69/92/1066716992.db2.gz WTHQAHAWUULRCQ-KRWDZBQOSA-N 1 1 458.183 4.780 20 0 JJADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC001456930535 1066724952 /nfs/dbraw/zinc/72/49/52/1066724952.db2.gz BXVINDHYTXHEQX-FQEVSTJZSA-N 1 1 456.428 4.643 20 0 JJADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001456936489 1066725952 /nfs/dbraw/zinc/72/59/52/1066725952.db2.gz JGMXOWWLMUDZJF-DNQXCXABSA-N 1 1 457.659 4.831 20 0 JJADMO CC[C@@H](Cn1c(C2CCCC2)nnc1N1CCC[N@H+](C2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC001545987768 1066726683 /nfs/dbraw/zinc/72/66/83/1066726683.db2.gz WWOTURCALNJPOY-NRFANRHFSA-N 1 1 474.694 4.694 20 0 JJADMO Cc1csc([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC(C)(C)[N@H+]3C[C@H](C)C[C@H](C)C3)CCO2)n1 ZINC001492640834 1066732882 /nfs/dbraw/zinc/73/28/82/1066732882.db2.gz FADSRHYENIYQJC-ZVDOUQERSA-N 1 1 488.746 4.966 20 0 JJADMO O=C(CCCOc1ccccc1F)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456980263 1066734950 /nfs/dbraw/zinc/73/49/50/1066734950.db2.gz CYPPYBCOAXYVNV-FQEVSTJZSA-N 1 1 452.492 4.898 20 0 JJADMO Cc1csc([C@H]2CCCN(c3nnc(C(C)(C)C)n3CC[N@H+](C)Cc3ccc(F)cc3)C2)n1 ZINC001492641947 1066735291 /nfs/dbraw/zinc/73/52/91/1066735291.db2.gz KWSWWFDQOLMNPK-FQEVSTJZSA-N 1 1 470.662 4.996 20 0 JJADMO CC[N@@H+](CCC1CCN(C(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)CC1)CC(C)C ZINC001446759390 1066736472 /nfs/dbraw/zinc/73/64/72/1066736472.db2.gz DFJFWKREQSXGEY-UHFFFAOYSA-N 1 1 452.521 4.976 20 0 JJADMO Cc1cc(N2CCC(NC(=O)[C@H](Sc3ccc(F)cc3)c3ccccc3)CC2)nc(C)[nH+]1 ZINC001457054530 1066751552 /nfs/dbraw/zinc/75/15/52/1066751552.db2.gz SNHXSNNAABWVEN-XMMPIXPASA-N 1 1 450.583 4.851 20 0 JJADMO CC(C)(C)OC(=O)Nc1ncc(C(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001457060318 1066752716 /nfs/dbraw/zinc/75/27/16/1066752716.db2.gz DEMVVMGLBXZTOS-QYZOEREBSA-N 1 1 456.612 4.521 20 0 JJADMO Cc1csc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001492647994 1066752901 /nfs/dbraw/zinc/75/29/01/1066752901.db2.gz FGVZTRPBNWEQAU-UHFFFAOYSA-N 1 1 490.073 4.628 20 0 JJADMO Cc1csc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001492647994 1066752906 /nfs/dbraw/zinc/75/29/06/1066752906.db2.gz FGVZTRPBNWEQAU-UHFFFAOYSA-N 1 1 490.073 4.628 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC(C)(C)Cc3cccc(Br)c3)cc2)C[C@H](C)O1 ZINC001457088993 1066758701 /nfs/dbraw/zinc/75/87/01/1066758701.db2.gz FILDTZTZRYOYPZ-HDICACEKSA-N 1 1 459.428 4.809 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC(C)(C)Cc3cccc(Br)c3)cc2)C[C@H](C)O1 ZINC001457088993 1066758711 /nfs/dbraw/zinc/75/87/11/1066758711.db2.gz FILDTZTZRYOYPZ-HDICACEKSA-N 1 1 459.428 4.809 20 0 JJADMO Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001457094931 1066760220 /nfs/dbraw/zinc/76/02/20/1066760220.db2.gz LCZZHECKPAPKGO-HOYKHHGWSA-N 1 1 451.014 4.842 20 0 JJADMO Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001457094940 1066760282 /nfs/dbraw/zinc/76/02/82/1066760282.db2.gz LCZZHECKPAPKGO-MHECFPHRSA-N 1 1 451.014 4.842 20 0 JJADMO CCc1cnc(CCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)s1 ZINC001457094601 1066760374 /nfs/dbraw/zinc/76/03/74/1066760374.db2.gz AUWGNAZGBKZBTD-XZOQPEGZSA-N 1 1 454.039 4.933 20 0 JJADMO COc1ccc([C@H](C)NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c(Br)c1 ZINC001447018948 1066766583 /nfs/dbraw/zinc/76/65/83/1066766583.db2.gz XZDJLEZJKDUPOV-UWJYYQICSA-N 1 1 457.412 4.937 20 0 JJADMO Cc1nc(C)c(CCn2c(CCc3ccccc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)s1 ZINC001492657657 1066771008 /nfs/dbraw/zinc/77/10/08/1066771008.db2.gz WTLKURBMUDPIFR-UHFFFAOYSA-N 1 1 466.699 4.690 20 0 JJADMO Cc1[nH]c(=O)c(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1-c1ccccc1 ZINC001447107856 1066774494 /nfs/dbraw/zinc/77/44/94/1066774494.db2.gz SAUVCBJFHGNTGU-WZONZLPQSA-N 1 1 453.945 4.978 20 0 JJADMO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)c1 ZINC001447137854 1066777586 /nfs/dbraw/zinc/77/75/86/1066777586.db2.gz VPINWKORAMUPBL-JIMJEQGWSA-N 1 1 477.649 4.630 20 0 JJADMO Cc1nc(C)c(Cn2c(Cc3ccccc3C)nnc2N2CCC[N@H+](C(C)(C)C)CC2)s1 ZINC001492660606 1066778189 /nfs/dbraw/zinc/77/81/89/1066778189.db2.gz XNHQIVRMIDPHCA-UHFFFAOYSA-N 1 1 452.672 4.610 20 0 JJADMO Cc1nc(Cc2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2CC[N@H+]2CCC[C@H]2C)cs1 ZINC001492661012 1066779080 /nfs/dbraw/zinc/77/90/80/1066779080.db2.gz BJJQLFAZTRLMBT-CVEARBPZSA-N 1 1 460.598 4.594 20 0 JJADMO Cc1ccc2nc(COc3ccc(C(=O)NC(C)(C)C[N@@H+](C)Cc4ccccc4)cc3)cn2c1 ZINC001447264149 1066786237 /nfs/dbraw/zinc/78/62/37/1066786237.db2.gz OBVZWQINEINPLC-UHFFFAOYSA-N 1 1 456.590 4.862 20 0 JJADMO Cc1nc(Cc2nnc(N(C)Cc3cccc(F)c3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC001492665626 1066787415 /nfs/dbraw/zinc/78/74/15/1066787415.db2.gz PLXHVIVYCYTKKZ-LJQANCHMSA-N 1 1 470.662 4.921 20 0 JJADMO Cc1nc(Cc2nnc(N(C)Cc3c(C)noc3C)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001492666050 1066789372 /nfs/dbraw/zinc/78/93/72/1066789372.db2.gz FTHXDPGIUPUWHN-HDICACEKSA-N 1 1 485.702 4.633 20 0 JJADMO Cc1nc(Cc2nnc(N(C)Cc3ccc(Cl)c(F)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC001492666452 1066791859 /nfs/dbraw/zinc/79/18/59/1066791859.db2.gz UMTFKMLHUVONEO-MRXNPFEDSA-N 1 1 477.053 4.795 20 0 JJADMO CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(COC)CC1)[N@H+]1CCc2ccccc2C1 ZINC001545994673 1066794004 /nfs/dbraw/zinc/79/40/04/1066794004.db2.gz DJPIZMFFBKDDCC-XMMPIXPASA-N 1 1 453.675 4.566 20 0 JJADMO CCN(C(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001447361485 1066798789 /nfs/dbraw/zinc/79/87/89/1066798789.db2.gz RWGIWICHTRAQCZ-XCZPVHLTSA-N 1 1 458.602 4.812 20 0 JJADMO Cc1nc(Cc2nnc(N(Cc3cccc(F)c3)C(C)C)n2CC[N@H+]2CCC[C@H]2C)cs1 ZINC001492670546 1066800731 /nfs/dbraw/zinc/80/07/31/1066800731.db2.gz WQGKFBRYWVDNLU-GOSISDBHSA-N 1 1 456.635 4.672 20 0 JJADMO Cc1nc(Cc2nnc(N3CC=C(C(F)(F)F)CC3)n2CCC[N@@H+]2CCCC[C@@H]2C)cs1 ZINC001492672005 1066803737 /nfs/dbraw/zinc/80/37/37/1066803737.db2.gz KYMCOQWYCSOXDI-INIZCTEOSA-N 1 1 468.593 4.597 20 0 JJADMO Cc1nc(Cc2nnc(N3CC[C@H](C)[C@@H](C)C3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001492673609 1066806783 /nfs/dbraw/zinc/80/67/83/1066806783.db2.gz XYEXIOGFBAGMKC-YRPNKDGESA-N 1 1 458.720 4.873 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC001492673799 1066808022 /nfs/dbraw/zinc/80/80/22/1066808022.db2.gz BUXSVYWRJBTYMR-IBGZPJMESA-N 1 1 484.636 4.923 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[C@H](C(F)F)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001492677159 1066815553 /nfs/dbraw/zinc/81/55/53/1066815553.db2.gz XLWVBGIUQYOYSL-AEFFLSMTSA-N 1 1 466.646 4.626 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cs1 ZINC001492677044 1066815605 /nfs/dbraw/zinc/81/56/05/1066815605.db2.gz URUSCSXTCACOLS-AEFFLSMTSA-N 1 1 470.609 4.533 20 0 JJADMO CC[C@@H]1CN(C(=O)C[C@@H](O)c2ccc(OCc3ccccc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001447501684 1066816128 /nfs/dbraw/zinc/81/61/28/1066816128.db2.gz SIVRHMLCMUPOFE-IXCJQBJRSA-N 1 1 458.602 4.812 20 0 JJADMO Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC001447538089 1066819674 /nfs/dbraw/zinc/81/96/74/1066819674.db2.gz QYPDNLIGODGFEK-UHFFFAOYSA-N 1 1 452.555 4.682 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[C@@H](c4nc(C)c(C)s4)C3)n2CCC[N@H+](C)C(C)C)cs1 ZINC001492679355 1066822080 /nfs/dbraw/zinc/82/20/80/1066822080.db2.gz ZVYPIVWZAQWNGF-HXUWFJFHSA-N 1 1 487.743 4.821 20 0 JJADMO Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC001457421871 1066827975 /nfs/dbraw/zinc/82/79/75/1066827975.db2.gz LDJNKQJBKWZTOA-JOCHJYFZSA-N 1 1 455.606 4.737 20 0 JJADMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cc2cc(Br)ccc2s1 ZINC001447622064 1066830443 /nfs/dbraw/zinc/83/04/43/1066830443.db2.gz UQRBBOOHFQQIEA-IBGZPJMESA-N 1 1 459.409 4.551 20 0 JJADMO CC[C@@H](Cn1c(Cc2ccccn2)nnc1N(CC(C)C)C(C)C)[N@H+]1CCc2ccccc2C1 ZINC001545998883 1066840392 /nfs/dbraw/zinc/84/03/92/1066840392.db2.gz DIQHQJKAVDWBKW-SANMLTNESA-N 1 1 460.670 4.972 20 0 JJADMO Cc1ncc(CN(C)c2nnc(Cc3c(F)cccc3F)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC001492697935 1066850267 /nfs/dbraw/zinc/85/02/67/1066850267.db2.gz INMGYTBHHYDYLN-HDICACEKSA-N 1 1 488.652 4.916 20 0 JJADMO Cc1ncc(CN(C)c2nnc(Cc3ccccc3F)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)s1 ZINC001492698451 1066851552 /nfs/dbraw/zinc/85/15/52/1066851552.db2.gz XZDDNMUDJJMOEH-NRFANRHFSA-N 1 1 456.635 4.530 20 0 JJADMO Cc1ncc(CN(C)c2nnc(Cc3ccccc3F)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)s1 ZINC001492698461 1066851710 /nfs/dbraw/zinc/85/17/10/1066851710.db2.gz YEEUBFWMGDYRSU-SFHVURJKSA-N 1 1 470.662 4.920 20 0 JJADMO Cc1ncc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)s1 ZINC001492698532 1066851808 /nfs/dbraw/zinc/85/18/08/1066851808.db2.gz AOYOHJGXTFOHPO-GOSISDBHSA-N 1 1 468.671 4.607 20 0 JJADMO CCCCOc1ccc(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)cc1Cl ZINC001447754876 1066853587 /nfs/dbraw/zinc/85/35/87/1066853587.db2.gz ZRJCEVWLNPRIAA-GJZUVCINSA-N 1 1 457.014 4.674 20 0 JJADMO CN(C(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001457540561 1066855958 /nfs/dbraw/zinc/85/59/58/1066855958.db2.gz UYQXYEOTIJVVAD-SMIHKQSGSA-N 1 1 457.659 4.973 20 0 JJADMO CN(C(=O)c1cc(Br)cc(N2CCCC2)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001457544933 1066857385 /nfs/dbraw/zinc/85/73/85/1066857385.db2.gz MKDFNPHIIXXHFW-JOCHJYFZSA-N 1 1 456.428 4.786 20 0 JJADMO CC[C@H](NC(=O)CCCCc1nc2ccccc2s1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001457546722 1066857897 /nfs/dbraw/zinc/85/78/97/1066857897.db2.gz SSJJQCIFFKECOE-GMAHTHKFSA-N 1 1 451.636 4.805 20 0 JJADMO CC[C@H](NC(=O)CCCCc1nc2ccccc2s1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001457546722 1066857904 /nfs/dbraw/zinc/85/79/04/1066857904.db2.gz SSJJQCIFFKECOE-GMAHTHKFSA-N 1 1 451.636 4.805 20 0 JJADMO CCC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)N3CC[N@@H+](CC(C)(C)O)[C@@H](C)C3)c2C1 ZINC001447794964 1066859575 /nfs/dbraw/zinc/85/95/75/1066859575.db2.gz FYHVLAHUYFVQAR-PMACEKPBSA-N 1 1 451.655 4.693 20 0 JJADMO CCCc1c(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nnn1-c1cccc(Cl)c1 ZINC001457554415 1066860007 /nfs/dbraw/zinc/86/00/07/1066860007.db2.gz ZBPLQCSVKKKLGO-JOCHJYFZSA-N 1 1 452.002 4.610 20 0 JJADMO CCn1cc(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c(=O)c2cc(Cl)ccc21 ZINC001457557016 1066860635 /nfs/dbraw/zinc/86/06/35/1066860635.db2.gz PXIQDNCVPOSLMU-SFHVURJKSA-N 1 1 451.998 4.837 20 0 JJADMO Cc1ccc(/C=C\c2cc(C(=O)NC[C@H]3CC[N@H+](C)C3)c3cc(Br)ccc3n2)o1 ZINC001457559595 1066861315 /nfs/dbraw/zinc/86/13/15/1066861315.db2.gz RRLQCSGATUPPGB-GMNBZTITSA-N 1 1 454.368 4.751 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c(CC(C)(C)C)nnc2N(C)[C@H](C)CCc2ccc(O)cc2)cn1 ZINC001492703565 1066861932 /nfs/dbraw/zinc/86/19/32/1066861932.db2.gz AYNLKGAJEYPPCN-HXUWFJFHSA-N 1 1 487.652 4.967 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c(C(C)C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1F ZINC001492703856 1066862490 /nfs/dbraw/zinc/86/24/90/1066862490.db2.gz HMPXATUYESRWOV-GOSISDBHSA-N 1 1 497.619 4.529 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c(C(C)C)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)cc1F ZINC001492704315 1066862518 /nfs/dbraw/zinc/86/25/18/1066862518.db2.gz YDZPANRAATZWBE-GOSISDBHSA-N 1 1 480.510 4.631 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCS[C@H](C)[C@@H]2C)cc1F ZINC001492704333 1066863136 /nfs/dbraw/zinc/86/31/36/1066863136.db2.gz ZEQJIFXWHBZGNE-DLBZAZTESA-N 1 1 456.635 4.878 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2ccccc2Br)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001492705178 1066863911 /nfs/dbraw/zinc/86/39/11/1066863911.db2.gz XYTSIZCCGKKEAL-KRWDZBQOSA-N 1 1 487.446 4.697 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCOC(C)(C)C ZINC001492704708 1066864021 /nfs/dbraw/zinc/86/40/21/1066864021.db2.gz LDGYCSHAIUJQOM-UHFFFAOYSA-N 1 1 463.630 4.673 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOC[C@@H]1C ZINC001492705286 1066864914 /nfs/dbraw/zinc/86/49/14/1066864914.db2.gz BBPIMAMOJCGGPN-HNNXBMFYSA-N 1 1 493.837 4.571 20 0 JJADMO CC(C)c1ccc(N2CC[C@H](C(=O)Nc3ccc(C[NH+](C)C)c(Br)c3)C2=O)cc1 ZINC001447819217 1066865626 /nfs/dbraw/zinc/86/56/26/1066865626.db2.gz QAMPCLIEDOBMOL-HXUWFJFHSA-N 1 1 458.400 4.626 20 0 JJADMO O=C(N[C@H](Cc1cccc(Br)c1)CC1CC1)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001447845492 1066868511 /nfs/dbraw/zinc/86/85/11/1066868511.db2.gz ICEHJKCLTPNMNB-GOTSBHOMSA-N 1 1 456.428 4.726 20 0 JJADMO O=C(N[C@H](Cc1cccc(Br)c1)CC1CC1)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001447845492 1066868519 /nfs/dbraw/zinc/86/85/19/1066868519.db2.gz ICEHJKCLTPNMNB-GOTSBHOMSA-N 1 1 456.428 4.726 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(CC(C)C)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC001492706468 1066868550 /nfs/dbraw/zinc/86/85/50/1066868550.db2.gz NSHQBVDZHCJCOV-JOCHJYFZSA-N 1 1 457.022 4.693 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)C(C)(C)C1 ZINC001492706829 1066869140 /nfs/dbraw/zinc/86/91/40/1066869140.db2.gz BILIZPFSUJFGHJ-MRXNPFEDSA-N 1 1 474.451 4.514 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001492706725 1066869240 /nfs/dbraw/zinc/86/92/40/1066869240.db2.gz YCUBFOOAEMNUQN-VSKRKVRLSA-N 1 1 485.677 4.516 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(C(C)C)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 ZINC001492707063 1066869902 /nfs/dbraw/zinc/86/99/02/1066869902.db2.gz KFPDOXDPXJEWOH-UHFFFAOYSA-N 1 1 454.594 4.686 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(C(C)C)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001492706973 1066870078 /nfs/dbraw/zinc/87/00/78/1066870078.db2.gz GTOUMMYBBHLCJF-INIZCTEOSA-N 1 1 467.565 4.856 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CCC(F)(F)F ZINC001492706867 1066870147 /nfs/dbraw/zinc/87/01/47/1066870147.db2.gz CRMIESNTULIWHS-UHFFFAOYSA-N 1 1 458.435 4.530 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H]1CCCCO1 ZINC001492707460 1066870708 /nfs/dbraw/zinc/87/07/08/1066870708.db2.gz WGRXNKTUJLIMGA-HSZRJFAPSA-N 1 1 450.631 4.843 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CCC(F)(F)F ZINC001492707341 1066870862 /nfs/dbraw/zinc/87/08/62/1066870862.db2.gz SHHHWMIXEPRPIP-HNNXBMFYSA-N 1 1 454.472 4.541 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2ccccc2F)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001492708239 1066871556 /nfs/dbraw/zinc/87/15/56/1066871556.db2.gz ULGDUQTYCCQEJD-UHFFFAOYSA-N 1 1 497.619 4.563 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001492707774 1066871632 /nfs/dbraw/zinc/87/16/32/1066871632.db2.gz HFURBVFBDIYJEY-HXUWFJFHSA-N 1 1 473.419 4.514 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cccs1 ZINC001492707806 1066871684 /nfs/dbraw/zinc/87/16/84/1066871684.db2.gz IEDFYXNRZQDGPY-FQEVSTJZSA-N 1 1 499.685 4.686 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccccc2Cl)C1 ZINC001492708836 1066873007 /nfs/dbraw/zinc/87/30/07/1066873007.db2.gz NINCTIUBHMQEIU-NRFANRHFSA-N 1 1 457.022 4.693 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccccc1F ZINC001492709438 1066873857 /nfs/dbraw/zinc/87/38/57/1066873857.db2.gz IWISXQAXESXMNU-IFMALSPDSA-N 1 1 454.594 4.567 20 0 JJADMO Cc1[nH+]ccn1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001492711862 1066876879 /nfs/dbraw/zinc/87/68/79/1066876879.db2.gz IVWPUOGYZUNKOY-WOJBJXKFSA-N 1 1 450.631 4.842 20 0 JJADMO Cc1[nH+]ccn1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 ZINC001492711377 1066877010 /nfs/dbraw/zinc/87/70/10/1066877010.db2.gz SGVXYFOZUKFHCY-DENIHFKCSA-N 1 1 485.677 4.613 20 0 JJADMO Cc1c(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)cnn1-c1ccc(Br)cc1 ZINC001457608705 1066877364 /nfs/dbraw/zinc/87/73/64/1066877364.db2.gz GBQJFRWQOGJYFH-OAQYLSRUSA-N 1 1 459.432 4.718 20 0 JJADMO O=C(OCc1ccccc1)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001447921797 1066877413 /nfs/dbraw/zinc/87/74/13/1066877413.db2.gz RCQRMUNIEUOTCX-SVBPBHIXSA-N 1 1 456.586 4.685 20 0 JJADMO Cc1[nH+]ccn1CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](C)CC1 ZINC001492712028 1066877828 /nfs/dbraw/zinc/87/78/28/1066877828.db2.gz PRIPNCMMZHBEBP-MRXNPFEDSA-N 1 1 463.413 4.995 20 0 JJADMO Cc1sc([C@@H](C)NC(=O)C2CC[NH+](Cc3nccn3C)CC2)nc1-c1ccc(Cl)cc1 ZINC001457618534 1066881017 /nfs/dbraw/zinc/88/10/17/1066881017.db2.gz WKPKRFHBGZEAHT-OAHLLOKOSA-N 1 1 458.031 4.595 20 0 JJADMO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2Cl)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001492718118 1066886141 /nfs/dbraw/zinc/88/61/41/1066886141.db2.gz UDMPOQMCEHQXCX-MSOLQXFVSA-N 1 1 470.065 4.706 20 0 JJADMO O=C(N[C@H](Cc1ccccn1)c1ccc(Br)cc1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001448008479 1066889977 /nfs/dbraw/zinc/88/99/77/1066889977.db2.gz YFLKQXJUMZKKCS-AUSIDOKSSA-N 1 1 456.428 4.899 20 0 JJADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)Sc2ccccc2)CC1 ZINC001492723518 1066894913 /nfs/dbraw/zinc/89/49/13/1066894913.db2.gz QBJIGKBSVGZPAX-HXUWFJFHSA-N 1 1 495.741 4.720 20 0 JJADMO Cc1nc(SCC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)[nH]c1Cc1ccccc1 ZINC001457684223 1066897059 /nfs/dbraw/zinc/89/70/59/1066897059.db2.gz JCATWGISFGCYDA-FQEVSTJZSA-N 1 1 454.684 4.904 20 0 JJADMO Cc1[nH]c(SCC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)nc1Cc1ccccc1 ZINC001457684223 1066897067 /nfs/dbraw/zinc/89/70/67/1066897067.db2.gz JCATWGISFGCYDA-FQEVSTJZSA-N 1 1 454.684 4.904 20 0 JJADMO Cc1[nH]c(SCC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)nc1Cc1ccccc1 ZINC001457684223 1066897077 /nfs/dbraw/zinc/89/70/77/1066897077.db2.gz JCATWGISFGCYDA-FQEVSTJZSA-N 1 1 454.684 4.904 20 0 JJADMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001448128276 1066903101 /nfs/dbraw/zinc/90/31/01/1066903101.db2.gz XHVNUZOKQWBZIU-JRFVFWCSSA-N 1 1 459.675 4.933 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cccc(O)c3)n2CCCC[N@H+]2CCCC[C@H]2C)n1 ZINC001492732421 1066905118 /nfs/dbraw/zinc/90/51/18/1066905118.db2.gz OODIPPBAWGYRKJ-FYYLOGMGSA-N 1 1 479.673 4.697 20 0 JJADMO CC[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC[N@H+](C(C)C)CC1)Oc1cccc(F)c1 ZINC001546003327 1066908128 /nfs/dbraw/zinc/90/81/28/1066908128.db2.gz HKHYQIHBDPYAJA-QFIPXVFZSA-N 1 1 471.646 4.848 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C)o3)n2Cc2ccccc2C[N@H+](C)C(C)C)n1 ZINC001492735550 1066908906 /nfs/dbraw/zinc/90/89/06/1066908906.db2.gz ANYKQZMDAQVOPW-UHFFFAOYSA-N 1 1 475.641 4.566 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)cc3F)n2CCCC[N@@H+]2CCC[C@H](C)C2)n1 ZINC001492735583 1066909356 /nfs/dbraw/zinc/90/93/56/1066909356.db2.gz BNHFKNGRHAZAPU-IBGZPJMESA-N 1 1 485.627 4.566 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)C[C@@H]3CC=CCC3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492737679 1066912744 /nfs/dbraw/zinc/91/27/44/1066912744.db2.gz BCHDLVDJLYDNED-OTNCWRBYSA-N 1 1 467.706 4.690 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)C3CCCCC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC001492740102 1066914968 /nfs/dbraw/zinc/91/49/68/1066914968.db2.gz IQHAHQWCJHNSSQ-PTUXOGIPSA-N 1 1 455.695 4.665 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(Cc3ccc(F)cc3)C(C)C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC001492740549 1066915887 /nfs/dbraw/zinc/91/58/87/1066915887.db2.gz ZBAFWOJSIXWKEJ-DEOSSOPVSA-N 1 1 481.664 4.814 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CC[C@H](C)[N@H+](Cc4ccccc4)CC3)n2CCCC(F)(F)F)n1 ZINC001492745029 1066920457 /nfs/dbraw/zinc/92/04/57/1066920457.db2.gz FPLFXQXFKOMCIZ-FQEVSTJZSA-N 1 1 489.590 4.583 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCCC(C)(C)C3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001492749158 1066923947 /nfs/dbraw/zinc/92/39/47/1066923947.db2.gz VKYNYHGDALAZRT-JOCHJYFZSA-N 1 1 463.674 4.677 20 0 JJADMO Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC001457809509 1066925777 /nfs/dbraw/zinc/92/57/77/1066925777.db2.gz ZJOATEPWHNVPAK-FIXSFTCYSA-N 1 1 470.455 4.844 20 0 JJADMO O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)c1cncc(-c2ccccc2)c1 ZINC001457833542 1066930670 /nfs/dbraw/zinc/93/06/70/1066930670.db2.gz NHXGYBFHPWHLNA-UHFFFAOYSA-N 1 1 450.380 4.906 20 0 JJADMO CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001457834550 1066930696 /nfs/dbraw/zinc/93/06/96/1066930696.db2.gz QKFSKNLXPSBDLZ-YHYVQYDKSA-N 1 1 451.449 4.904 20 0 JJADMO O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)c1sccc1Br ZINC001457837060 1066931001 /nfs/dbraw/zinc/93/10/01/1066931001.db2.gz ZOSIDMXEGFGNDV-UHFFFAOYSA-N 1 1 458.219 4.668 20 0 JJADMO Cc1cc(C)n(CCCn2c(C(C)C)nnc2N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC001492760127 1066932418 /nfs/dbraw/zinc/93/24/18/1066932418.db2.gz WFORBUULMIZARR-UHFFFAOYSA-N 1 1 463.674 4.654 20 0 JJADMO C[NH+](C)Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)ccc1Cl ZINC001448541495 1066938014 /nfs/dbraw/zinc/93/80/14/1066938014.db2.gz QDXZTGRGIWFXBZ-IBGZPJMESA-N 1 1 454.785 4.952 20 0 JJADMO Cc1nnc(N(C)[C@@H](CF)c2ccc(Br)cc2)n1CC[N@@H+](C)C1CCCCC1 ZINC001492775571 1066946117 /nfs/dbraw/zinc/94/61/17/1066946117.db2.gz CFBGOYIGWVFRFC-FQEVSTJZSA-N 1 1 452.416 4.761 20 0 JJADMO Cc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001492776876 1066947088 /nfs/dbraw/zinc/94/70/88/1066947088.db2.gz JASLSULXDZHFOY-MAUKXSAKSA-N 1 1 495.981 4.530 20 0 JJADMO Cc1nnc(N(C)Cc2ccc(Br)o2)n1C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001492779476 1066947763 /nfs/dbraw/zinc/94/77/63/1066947763.db2.gz FNWDHFYLRZRNLF-HXUWFJFHSA-N 1 1 472.431 4.881 20 0 JJADMO Cc1nnc(N(Cc2cc(Cl)ccc2Br)CC(C)C)n1CC(C)(C)[NH+]1CCOCC1 ZINC001492788615 1066949976 /nfs/dbraw/zinc/94/99/76/1066949976.db2.gz WHPLHAFIFXDFNE-UHFFFAOYSA-N 1 1 498.897 4.776 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)COc1ccc(Cl)cc1Br ZINC001457991561 1066953725 /nfs/dbraw/zinc/95/37/25/1066953725.db2.gz HDMRYBIUCWJRGB-HOTGVXAUSA-N 1 1 451.792 4.603 20 0 JJADMO Cc1nnc(N2CCC(OCCC(C)C)CC2)n1CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001492820845 1066955040 /nfs/dbraw/zinc/95/50/40/1066955040.db2.gz MRBNAWDFWQYJRU-RCZVLFRGSA-N 1 1 453.675 4.919 20 0 JJADMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)COc1ccc2cc(Br)ccc2c1 ZINC001448740413 1066955246 /nfs/dbraw/zinc/95/52/46/1066955246.db2.gz RCWJMZQNPTXCQN-UHFFFAOYSA-N 1 1 450.336 4.792 20 0 JJADMO Cc1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1Cc1cscc1C(F)(F)F ZINC001492876250 1066959538 /nfs/dbraw/zinc/95/95/38/1066959538.db2.gz NGTNWVFUXUSJSP-UHFFFAOYSA-N 1 1 453.509 4.567 20 0 JJADMO C[C@H]1C[C@@H](CCNC(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)C[N@H+]1Cc1ccccc1 ZINC001458054305 1066962222 /nfs/dbraw/zinc/96/22/22/1066962222.db2.gz BOXJGIBKCFDOTR-AZUAARDMSA-N 1 1 456.512 4.922 20 0 JJADMO C[C@@H]1C[C@@H](CCNC(=O)c2cnnn2-c2c(Cl)cccc2Cl)C[N@H+]1Cc1ccccc1 ZINC001458057819 1066963466 /nfs/dbraw/zinc/96/34/66/1066963466.db2.gz IEDRPVYBBFCUBC-SJLPKXTDSA-N 1 1 458.393 4.605 20 0 JJADMO CC[C@@H](c1nnc(N(C)[C@H](C)c2ccco2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545717879 1066972181 /nfs/dbraw/zinc/97/21/81/1066972181.db2.gz SXJFTCSWPPAHFX-YFNKSVMNSA-N 1 1 465.642 4.967 20 0 JJADMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1cccc(C)c1Br ZINC001458094647 1066973364 /nfs/dbraw/zinc/97/33/64/1066973364.db2.gz QAUWVIIQJQXWNG-IBGZPJMESA-N 1 1 453.384 4.962 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(O)(c2ccccc2Cl)CC1 ZINC001449040808 1066978576 /nfs/dbraw/zinc/97/85/76/1066978576.db2.gz FOMBLSFMACMKEL-DHIUTWEWSA-N 1 1 455.042 4.944 20 0 JJADMO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)NC[C@](C)(Cc2ccccc2)[C@@H](C)O)c1 ZINC001449048512 1066979579 /nfs/dbraw/zinc/97/95/79/1066979579.db2.gz QKRSSLOYYYAANC-DOWJPCJRSA-N 1 1 470.657 4.957 20 0 JJADMO CC[C@@H](c1nnc(N(C)CC2CCCCC2)n1C[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC001545724218 1066980427 /nfs/dbraw/zinc/98/04/27/1066980427.db2.gz NMONFAMXWFATFI-WIOPSUGQSA-N 1 1 453.675 4.805 20 0 JJADMO CC[C@@H](c1nnc(N(C)CC2COC(C)(C)OC2)n1CC[N@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001545726823 1066984372 /nfs/dbraw/zinc/98/43/72/1066984372.db2.gz XWGYGTTXOJPSAA-XMMPIXPASA-N 1 1 483.701 4.777 20 0 JJADMO CC[C@@H](c1nnc(N(CC)C[C@@H]2CCCO2)n1CC[N@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001545728069 1066985133 /nfs/dbraw/zinc/98/51/33/1066985133.db2.gz FJJGPPDCRQACIJ-BJKOFHAPSA-N 1 1 453.675 4.947 20 0 JJADMO Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N(C)C[C@@H]3CC[N@@H+](Cc4ccc(C)s4)C3)n2)n1 ZINC001449170694 1066986959 /nfs/dbraw/zinc/98/69/59/1066986959.db2.gz HTMHRRQHVHHGMH-SFHVURJKSA-N 1 1 458.031 4.502 20 0 JJADMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1cccc(C)c1Br ZINC001458154584 1066990248 /nfs/dbraw/zinc/99/02/48/1066990248.db2.gz OLDJMKZTRJVVPJ-HTAPYJJXSA-N 1 1 458.444 4.763 20 0 JJADMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1cccc(C)c1Br ZINC001458154584 1066990258 /nfs/dbraw/zinc/99/02/58/1066990258.db2.gz OLDJMKZTRJVVPJ-HTAPYJJXSA-N 1 1 458.444 4.763 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)n1CCCNc1ccccn1)c1ccccc1 ZINC001545731967 1066992535 /nfs/dbraw/zinc/99/25/35/1066992535.db2.gz VSJSNBRKSCFLEJ-CQOQZXRMSA-N 1 1 461.658 4.636 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1C[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1 ZINC001545732043 1066993054 /nfs/dbraw/zinc/99/30/54/1066993054.db2.gz WQFHMWPQQPNIFT-ZZLPTCMGSA-N 1 1 492.634 4.623 20 0 JJADMO C[C@H]1C[C@@H](C(=O)Nc2nc3c(cc(OC(F)(F)F)cc3Br)s2)CC[N@H+]1C ZINC001458164954 1066993602 /nfs/dbraw/zinc/99/36/02/1066993602.db2.gz BYINSZPXXNIOSM-IUCAKERBSA-N 1 1 452.296 4.626 20 0 JJADMO CC[C@H](c1nnc(N2CCC(C(=O)NC)CC2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545733625 1066995688 /nfs/dbraw/zinc/99/56/88/1066995688.db2.gz FHVKMZGHJUOHQT-ZEVJAHDQSA-N 1 1 494.728 4.541 20 0 JJADMO C/C(=C\C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1C(F)(F)F ZINC001449285816 1066995803 /nfs/dbraw/zinc/99/58/03/1066995803.db2.gz OSVDADIUZWWPKK-YDPLAMGBSA-N 1 1 457.540 4.527 20 0 JJADMO C/C(=C\C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1C(F)(F)F ZINC001449285836 1066995959 /nfs/dbraw/zinc/99/59/59/1066995959.db2.gz OSVDADIUZWWPKK-YMQJMOIJSA-N 1 1 457.540 4.527 20 0 JJADMO CC[C@@H](c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC001545733930 1066996429 /nfs/dbraw/zinc/99/64/29/1066996429.db2.gz KPZZXIYSXXQDMH-IZZNHLLZSA-N 1 1 480.745 4.966 20 0 JJADMO CC[C@H](c1nnc(N2CCC(C(=O)NC)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545734524 1066997714 /nfs/dbraw/zinc/99/77/14/1066997714.db2.gz UTTHGIMAOAVXKZ-FBLLAGFSSA-N 1 1 494.728 4.539 20 0 JJADMO CC[C@@H](c1nnc(N2CC[C@H](C)C(C)(C)C2)n1CCC[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001545736184 1066999754 /nfs/dbraw/zinc/99/97/54/1066999754.db2.gz LRXBGJZERZBTDT-UKILVPOCSA-N 1 1 466.718 4.720 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC001449334937 1067000719 /nfs/dbraw/zinc/00/07/19/1067000719.db2.gz WNJHZMVYSHDMRA-UHFFFAOYSA-N 1 1 459.377 4.709 20 0 JJADMO Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC001449335331 1067001342 /nfs/dbraw/zinc/00/13/42/1067001342.db2.gz UNHMJBRDPYGJSW-UHFFFAOYSA-N 1 1 457.405 4.681 20 0 JJADMO CC[N@H+]1CCN(C(=O)Cc2sc(Nc3ccccc3OC)nc2-c2ccccc2)[C@@H](C)C1 ZINC001449337861 1067001508 /nfs/dbraw/zinc/00/15/08/1067001508.db2.gz SJCYHNCIZJUHCQ-SFHVURJKSA-N 1 1 450.608 4.657 20 0 JJADMO C[N@H+](CCC(F)(F)F)[C@@H](CNC(=O)c1c[nH]c(Br)c1)c1ccc(Cl)cc1 ZINC001449404910 1067007523 /nfs/dbraw/zinc/00/75/23/1067007523.db2.gz OAJRMPZFNVCQMR-AWEZNQCLSA-N 1 1 452.702 4.786 20 0 JJADMO C[N@@H+](CCC(F)(F)F)[C@@H](CNC(=O)c1c[nH]c(Br)c1)c1ccc(Cl)cc1 ZINC001449404910 1067007533 /nfs/dbraw/zinc/00/75/33/1067007533.db2.gz OAJRMPZFNVCQMR-AWEZNQCLSA-N 1 1 452.702 4.786 20 0 JJADMO C[N@H+](CCC(F)(F)F)[C@@H](CNC(=O)c1ccc(-c2ncon2)cc1)c1ccc(Cl)cc1 ZINC001449409760 1067008150 /nfs/dbraw/zinc/00/81/50/1067008150.db2.gz YDFWCRZFCUPIDA-SFHVURJKSA-N 1 1 452.864 4.745 20 0 JJADMO C[N@@H+](CCC(F)(F)F)[C@@H](CNC(=O)c1ccc(-c2ncon2)cc1)c1ccc(Cl)cc1 ZINC001449409760 1067008161 /nfs/dbraw/zinc/00/81/61/1067008161.db2.gz YDFWCRZFCUPIDA-SFHVURJKSA-N 1 1 452.864 4.745 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ncnc2ccc(I)cc21 ZINC001458229722 1067008268 /nfs/dbraw/zinc/00/82/68/1067008268.db2.gz PYBPZDGGKYXANP-BEFAXECRSA-N 1 1 458.347 4.557 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC001545743063 1067009235 /nfs/dbraw/zinc/00/92/35/1067009235.db2.gz CWBKBAIIVNPACC-NHCUHLMSSA-N 1 1 479.591 4.588 20 0 JJADMO COc1ccc(Cl)cc1[C@H](O)CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001449491394 1067011728 /nfs/dbraw/zinc/01/17/28/1067011728.db2.gz PQPQHPACMWHMLO-INNMJMHTSA-N 1 1 479.020 4.588 20 0 JJADMO CC[C@@H](c1nnc(N2CCCC(C)(C)C2)n1C[C@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001545745609 1067012390 /nfs/dbraw/zinc/01/23/90/1067012390.db2.gz DDYUXIGARRGOJL-ILBGXUMGSA-N 1 1 466.718 4.720 20 0 JJADMO CC[C@@H](c1nnc(N2CCC=C(Br)C2)n1CC[N@@H+](CC)C1CC1)c1ccccc1 ZINC001545745966 1067013345 /nfs/dbraw/zinc/01/33/45/1067013345.db2.gz IPQXONULJURULJ-OAQYLSRUSA-N 1 1 458.448 4.793 20 0 JJADMO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)c2ccccc2CS(=O)(=O)c2ccccc2)CC1 ZINC001449563648 1067014776 /nfs/dbraw/zinc/01/47/76/1067014776.db2.gz NUJHMAJTYJNEJB-UHFFFAOYSA-N 1 1 456.652 4.633 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@@H]2C(C)C)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545748740 1067018001 /nfs/dbraw/zinc/01/80/01/1067018001.db2.gz FEFHPVDPIVOWMR-ISJGIBHGSA-N 1 1 453.675 4.802 20 0 JJADMO C[C@@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)CCCC(=O)c1ccccc1 ZINC001449611575 1067018093 /nfs/dbraw/zinc/01/80/93/1067018093.db2.gz XEUUPJJYTHFGGM-QGZVFWFLSA-N 1 1 458.400 4.581 20 0 JJADMO O=S(=O)(c1cc(F)ccc1N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(F)(F)F ZINC001458283247 1067020847 /nfs/dbraw/zinc/02/08/47/1067020847.db2.gz JVBINHKRCJLCQO-YTQUADARSA-N 1 1 456.505 4.832 20 0 JJADMO COc1ccc2c(c1)OC[C@H]2CC(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC001458285022 1067021385 /nfs/dbraw/zinc/02/13/85/1067021385.db2.gz VBVBSIBWQCTBGW-ZJSXRUAMSA-N 1 1 452.595 4.980 20 0 JJADMO C[N@@H+](CCc1cccc(Nc2ncnc3cc(I)sc32)c1)C1CC1 ZINC001458286921 1067021864 /nfs/dbraw/zinc/02/18/64/1067021864.db2.gz DQMYLCDZNASSKO-UHFFFAOYSA-N 1 1 450.349 4.676 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCCOC1CCOCC1)c1ccccc1 ZINC001545752013 1067026030 /nfs/dbraw/zinc/02/60/30/1067026030.db2.gz PFLDBUCGJAIDMA-RUZDIDTESA-N 1 1 483.701 4.716 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H]1CC(F)(F)CO1)c1ccccc1 ZINC001545752232 1067027345 /nfs/dbraw/zinc/02/73/45/1067027345.db2.gz SVIUEEQGCMUMIZ-NHCUHLMSSA-N 1 1 461.601 4.555 20 0 JJADMO CC[C@H](c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H]1CC(F)(F)CO1)c1ccccc1 ZINC001545752233 1067027800 /nfs/dbraw/zinc/02/78/00/1067027800.db2.gz SVIUEEQGCMUMIZ-RTWAWAEBSA-N 1 1 461.601 4.555 20 0 JJADMO C[C@H](CO)n1c2ccc(NC(=O)[C@H](c3ccc(Cl)cc3)[NH+](C)C)cc2nc1C(F)(F)F ZINC001449788704 1067028113 /nfs/dbraw/zinc/02/81/13/1067028113.db2.gz DNLOQIXRSJEGFP-XIKOKIGWSA-N 1 1 454.880 4.503 20 0 JJADMO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N3CC[C@](F)(c4ccccc4C)C3)c2c1C ZINC001458337913 1067034342 /nfs/dbraw/zinc/03/43/42/1067034342.db2.gz MBOYZQQRAFKUCD-XMMPIXPASA-N 1 1 456.587 4.622 20 0 JJADMO CC[C@@H](c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001545756779 1067034536 /nfs/dbraw/zinc/03/45/36/1067034536.db2.gz OAPWAJQANBRODY-XUZZJYLKSA-N 1 1 494.709 4.679 20 0 JJADMO CC[C@H](c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1CCC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC001545756962 1067034871 /nfs/dbraw/zinc/03/48/71/1067034871.db2.gz QPSQCHABSNTTCA-NVQXNPDNSA-N 1 1 480.701 4.532 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001449899173 1067035454 /nfs/dbraw/zinc/03/54/54/1067035454.db2.gz KRLVZCMAEMETBQ-HUVFLSCGSA-N 1 1 473.633 4.690 20 0 JJADMO CC[C@@H](c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC001545758179 1067037034 /nfs/dbraw/zinc/03/70/34/1067037034.db2.gz BAJALHKXWMLQRH-JTHBVZDNSA-N 1 1 492.634 4.625 20 0 JJADMO CC[C@@H](c1nnc(N2CC[NH+](CCOC)CC2)n1C[C@@H]1CCCCC(F)(F)C1)c1ccccc1 ZINC001545759550 1067042777 /nfs/dbraw/zinc/04/27/77/1067042777.db2.gz ZLFVXXDQERVCPV-FYYLOGMGSA-N 1 1 475.628 4.804 20 0 JJADMO CCOC(=O)c1cnc(CC)nc1NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC001458368005 1067043470 /nfs/dbraw/zinc/04/34/70/1067043470.db2.gz DEPMZICCRPSDAC-QGZVFWFLSA-N 1 1 458.912 4.907 20 0 JJADMO O=C(Oc1cc(Cl)cnc1Br)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001458369337 1067043843 /nfs/dbraw/zinc/04/38/43/1067043843.db2.gz LAPUECACJRXNMM-RBUKOAKNSA-N 1 1 472.770 4.714 20 0 JJADMO CC[C@@H](c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545760561 1067043827 /nfs/dbraw/zinc/04/38/27/1067043827.db2.gz FUMJFVNGETTWES-OUMDNPPYSA-N 1 1 483.701 4.571 20 0 JJADMO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Oc1cc(Cl)cnc1Br ZINC001458371244 1067044502 /nfs/dbraw/zinc/04/45/02/1067044502.db2.gz WHAPACGRHAYASX-AWEZNQCLSA-N 1 1 453.764 4.970 20 0 JJADMO CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@@H+](CC)[C@H](C)C1)Oc1cccc(F)c1 ZINC001546019110 1067044933 /nfs/dbraw/zinc/04/49/33/1067044933.db2.gz OLDSVRWKZSVYKY-WDWDUUAGSA-N 1 1 487.664 4.724 20 0 JJADMO CC[C@@]1(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H](C)[N@@H+](C)C2CC2)CCO1 ZINC001546099841 1067044855 /nfs/dbraw/zinc/04/48/55/1067044855.db2.gz NTCJTOWDORCVRU-DCFHFQCYSA-N 1 1 469.674 4.643 20 0 JJADMO CC[C@@]1(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](C)[N@@H+](C)C2CC2)CCO1 ZINC001546099842 1067045159 /nfs/dbraw/zinc/04/51/59/1067045159.db2.gz NTCJTOWDORCVRU-HRFSGMKKSA-N 1 1 469.674 4.643 20 0 JJADMO C[C@H]1CN(C(=O)[C@@H](Oc2ccc(Br)cc2)c2ccccc2)CC[N@H+](C2CCC2)C1 ZINC001450059726 1067045958 /nfs/dbraw/zinc/04/59/58/1067045958.db2.gz DLFIOFMZICEZMT-JPYJTQIMSA-N 1 1 457.412 4.902 20 0 JJADMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1cccc(CSc2cc(Cl)ccc2Cl)c1 ZINC001450063638 1067046492 /nfs/dbraw/zinc/04/64/92/1067046492.db2.gz HDATZICISKNTOU-IBGZPJMESA-N 1 1 453.435 4.862 20 0 JJADMO CC[C@@H](c1nnc(N2CCO[C@H](COC(C)C)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC001545764320 1067048691 /nfs/dbraw/zinc/04/86/91/1067048691.db2.gz UFFQBBYJCRKQNF-ISJGIBHGSA-N 1 1 483.701 4.571 20 0 JJADMO CC[C@]1(C)CN(c2nnc(COc3cc(C)ccc3C)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001546100176 1067049406 /nfs/dbraw/zinc/04/94/06/1067049406.db2.gz UNOLRWHOIYNYGZ-AWVRMFGXSA-N 1 1 483.701 4.847 20 0 JJADMO CC[C@H](c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCCC[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC001545765452 1067050240 /nfs/dbraw/zinc/05/02/40/1067050240.db2.gz BEEALFRHTABMRR-VRUIKYSZSA-N 1 1 453.675 4.539 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CC[N@@H+]1CCOCC1(C)C)c1ccccc1 ZINC001545768004 1067053276 /nfs/dbraw/zinc/05/32/76/1067053276.db2.gz KWBASBPRTHUAFD-RZUBCFFCSA-N 1 1 475.628 4.658 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CC[N@H+]1CCOCC1(C)C)c1ccccc1 ZINC001545768004 1067053288 /nfs/dbraw/zinc/05/32/88/1067053288.db2.gz KWBASBPRTHUAFD-RZUBCFFCSA-N 1 1 475.628 4.658 20 0 JJADMO CCC(CC)(Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)SC ZINC001545768379 1067054320 /nfs/dbraw/zinc/05/43/20/1067054320.db2.gz UTPPKRRWSHTATH-QHCPKHFHSA-N 1 1 498.741 4.537 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001450233033 1067062041 /nfs/dbraw/zinc/06/20/41/1067062041.db2.gz FDRMLTONVXKBPU-FTLVJZLWSA-N 1 1 455.643 4.726 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001450240263 1067062880 /nfs/dbraw/zinc/06/28/80/1067062880.db2.gz OQKWHSGPAXMYIY-XALAGWIPSA-N 1 1 455.643 4.726 20 0 JJADMO C[C@H](NC(=O)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1cccc(C2CC2)c1 ZINC001450245193 1067063960 /nfs/dbraw/zinc/06/39/60/1067063960.db2.gz HYIJKQMDKKZJEO-YADARESESA-N 1 1 451.611 4.767 20 0 JJADMO CCC(CC)(Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)SC ZINC001545774373 1067066472 /nfs/dbraw/zinc/06/64/72/1067066472.db2.gz NADXOLYQUJBACZ-LJQANCHMSA-N 1 1 478.106 4.679 20 0 JJADMO CCC(CC)(Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)SC ZINC001545774372 1067066588 /nfs/dbraw/zinc/06/65/88/1067066588.db2.gz NADXOLYQUJBACZ-IBGZPJMESA-N 1 1 478.106 4.679 20 0 JJADMO CN(C)c1cc(NC(=O)c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)cc[nH+]1 ZINC001458488813 1067073588 /nfs/dbraw/zinc/07/35/88/1067073588.db2.gz BDWTYJCQZFKOAT-UHFFFAOYSA-N 1 1 453.568 4.794 20 0 JJADMO CC[C@]1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001546101389 1067074587 /nfs/dbraw/zinc/07/45/87/1067074587.db2.gz CERTYPRKPIUDIC-OHUGHZGNSA-N 1 1 476.065 4.636 20 0 JJADMO CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)OC ZINC001545780868 1067076224 /nfs/dbraw/zinc/07/62/24/1067076224.db2.gz LRYJQIWMGNIXJF-HSZRJFAPSA-N 1 1 476.669 4.955 20 0 JJADMO CCC(O)(CC)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001546022541 1067077701 /nfs/dbraw/zinc/07/77/01/1067077701.db2.gz HOUWMTBLQYDOCK-RBBKRZOGSA-N 1 1 490.092 4.914 20 0 JJADMO CC[C@@]1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2CCC[N@H+]2CCCC[C@H]2C)CCO1 ZINC001546101706 1067081212 /nfs/dbraw/zinc/08/12/12/1067081212.db2.gz JJJSXLCDOWVZTL-NLFFAJNJSA-N 1 1 476.065 4.780 20 0 JJADMO O=C(NCCc1ccc(Br)cc1Cl)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001450471622 1067083100 /nfs/dbraw/zinc/08/31/00/1067083100.db2.gz PJMWARRRPMYWQE-FQEVSTJZSA-N 1 1 453.783 4.955 20 0 JJADMO O=C(NCCc1ccc(Br)cc1Cl)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001450471622 1067083117 /nfs/dbraw/zinc/08/31/17/1067083117.db2.gz PJMWARRRPMYWQE-FQEVSTJZSA-N 1 1 453.783 4.955 20 0 JJADMO CCC(CC)(Cn1c(Cc2c(F)cccc2F)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1)OC ZINC001545787947 1067083243 /nfs/dbraw/zinc/08/32/43/1067083243.db2.gz CHQVPENGNDSCSC-IBGZPJMESA-N 1 1 475.628 4.663 20 0 JJADMO CC(C)c1ccc(C[NH+]2CCN(C(=O)Cc3noc4ccc(Br)cc43)CC2)cc1 ZINC001450525381 1067086023 /nfs/dbraw/zinc/08/60/23/1067086023.db2.gz QSWPKLBUIIEOHR-UHFFFAOYSA-N 1 1 456.384 4.601 20 0 JJADMO CC[C@@]1(C)CN(c2nnc(CSc3ccc(Cl)cc3)n2CCCn2cc[nH+]c2C)CCO1 ZINC001546102066 1067086823 /nfs/dbraw/zinc/08/68/23/1067086823.db2.gz QIJCXOGBHRAAQP-QHCPKHFHSA-N 1 1 475.062 4.824 20 0 JJADMO C[C@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1ccc(N2CCCCC2=O)cc1 ZINC001450541393 1067088577 /nfs/dbraw/zinc/08/85/77/1067088577.db2.gz OBUJTSLYGDVGHT-WMZHIEFXSA-N 1 1 455.549 4.538 20 0 JJADMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)[C@@H](Oc2cccc(Br)c2)c2ccccc2)C1 ZINC001458586440 1067090949 /nfs/dbraw/zinc/09/09/49/1067090949.db2.gz KGCKIOMNBUZJQX-GOTSBHOMSA-N 1 1 451.364 4.872 20 0 JJADMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)[C@@H](Oc2cccc(Br)c2)c2ccccc2)C1 ZINC001458586440 1067090965 /nfs/dbraw/zinc/09/09/65/1067090965.db2.gz KGCKIOMNBUZJQX-GOTSBHOMSA-N 1 1 451.364 4.872 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC001458634035 1067099365 /nfs/dbraw/zinc/09/93/65/1067099365.db2.gz WDKQNAGOTYLPIS-VGOFRKELSA-N 1 1 456.011 4.555 20 0 JJADMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 ZINC001450669774 1067100646 /nfs/dbraw/zinc/10/06/46/1067100646.db2.gz GLXCGEPVTGUOCD-NRFANRHFSA-N 1 1 455.606 4.997 20 0 JJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC(CO)(C(F)(F)F)CC2)n1 ZINC001458665681 1067103979 /nfs/dbraw/zinc/10/39/79/1067103979.db2.gz LAGKSHMDORDGDC-UHFFFAOYSA-N 1 1 450.530 4.561 20 0 JJADMO CCN(C(=O)c1ccc(OC(F)F)c(Br)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001458669816 1067104978 /nfs/dbraw/zinc/10/49/78/1067104978.db2.gz PJGJEFOKGJXRAI-QGZVFWFLSA-N 1 1 453.327 4.787 20 0 JJADMO CCC(CC)[C@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@H+]2CCCC[C@H]2C1)OC ZINC001545803189 1067111991 /nfs/dbraw/zinc/11/19/91/1067111991.db2.gz JEJRLWZRBITBKQ-UARRHKHWSA-N 1 1 475.722 4.713 20 0 JJADMO CCC(CC)[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCN(CC)[C@@H](C)C1)[NH+](C)C ZINC001545805015 1067118290 /nfs/dbraw/zinc/11/82/90/1067118290.db2.gz GKVOLMLBPARXRG-PGRDOPGGSA-N 1 1 491.522 4.604 20 0 JJADMO C[C@H]1[C@H](NC(=O)CCCCC2CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001450789470 1067121129 /nfs/dbraw/zinc/12/11/29/1067121129.db2.gz JOBYHXMSEWGVQU-XUZZJYLKSA-N 1 1 457.659 4.973 20 0 JJADMO C[C@H]1[C@@H](NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001450806771 1067124162 /nfs/dbraw/zinc/12/41/62/1067124162.db2.gz WVIDEPXKJUJTCY-FPOVZHCZSA-N 1 1 454.640 4.592 20 0 JJADMO Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC001450810011 1067125176 /nfs/dbraw/zinc/12/51/76/1067125176.db2.gz YTQNGRLJWCUYJB-UWJYYQICSA-N 1 1 451.567 4.841 20 0 JJADMO CCC(O)(CC)Cn1c(-c2ccc(Br)s2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001546026375 1067125632 /nfs/dbraw/zinc/12/56/32/1067125632.db2.gz MTZFEJVVYYNAKZ-INIZCTEOSA-N 1 1 496.519 4.631 20 0 JJADMO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CCC2)CC1)[NH+](C)C ZINC001545807737 1067128266 /nfs/dbraw/zinc/12/82/66/1067128266.db2.gz NLCKXQXAZYZWSK-HSZRJFAPSA-N 1 1 459.082 4.639 20 0 JJADMO C[C@]1(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC(c2cccc(Cl)c2F)=NO1 ZINC001450838727 1067129561 /nfs/dbraw/zinc/12/95/61/1067129561.db2.gz BXVHDEFIBDNIMW-KBMIEXCESA-N 1 1 457.977 4.781 20 0 JJADMO CC(C)(C)OC(=O)N1CCC(CCC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001450839100 1067130262 /nfs/dbraw/zinc/13/02/62/1067130262.db2.gz WTTDYRDUIPFMAH-DEOSSOPVSA-N 1 1 457.659 4.832 20 0 JJADMO COc1cccc(-c2nnc(SCC[N@@H+](C)Cc3ccc(F)cc3)n2Cc2ccco2)c1 ZINC001458808025 1067151380 /nfs/dbraw/zinc/15/13/80/1067151380.db2.gz FLJDJCNSPQUCES-UHFFFAOYSA-N 1 1 452.555 4.958 20 0 JJADMO CCC(CC)c1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@H]2C)on1 ZINC001545823385 1067166306 /nfs/dbraw/zinc/16/63/06/1067166306.db2.gz KWBUCECIWZYSGR-DLBZAZTESA-N 1 1 472.037 4.852 20 0 JJADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)/C(F)=C/c1ccc(C(F)(F)F)cc1 ZINC001451637535 1067181767 /nfs/dbraw/zinc/18/17/67/1067181767.db2.gz HHLPQKAYYGQGIH-PBHPDBLUSA-N 1 1 450.476 4.669 20 0 JJADMO COc1ccc2cc([C@H](C)C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CCN(C)CC3)ccc2c1 ZINC001458875610 1067182194 /nfs/dbraw/zinc/18/21/94/1067182194.db2.gz KWQRIFKVPPJUGJ-RZDWPUGNSA-N 1 1 451.655 4.748 20 0 JJADMO CC(C)[N@@H+]1CCc2nc(NC(=O)C3(c4cc(Cl)cc(Br)c4)CC3)sc2C1 ZINC001458876700 1067183155 /nfs/dbraw/zinc/18/31/55/1067183155.db2.gz PJQSNSFGSIIKBK-UHFFFAOYSA-N 1 1 454.821 4.996 20 0 JJADMO CC(C)[N@H+]1CCc2nc(NC(=O)C3(c4cc(Cl)cc(Br)c4)CC3)sc2C1 ZINC001458876700 1067183160 /nfs/dbraw/zinc/18/31/60/1067183160.db2.gz PJQSNSFGSIIKBK-UHFFFAOYSA-N 1 1 454.821 4.996 20 0 JJADMO C[C@H](CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1)c1cccc(C(F)(F)F)c1 ZINC001458875667 1067183197 /nfs/dbraw/zinc/18/31/97/1067183197.db2.gz LFKGUBOUDLJVDR-YSZBQJHXSA-N 1 1 453.593 4.995 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(C)ccc2F)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001545833909 1067184225 /nfs/dbraw/zinc/18/42/25/1067184225.db2.gz PFTXBQHWOLZHFB-HXUWFJFHSA-N 1 1 486.680 4.791 20 0 JJADMO CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)Nc3nc4c(s3)C[N@H+](C(C)(C)C)CC4)n[nH]2)c1C ZINC001451893551 1067196518 /nfs/dbraw/zinc/19/65/18/1067196518.db2.gz YAXSWJSRMNSVML-CYBMUJFWSA-N 1 1 455.632 4.726 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(Cc2cccs2)C2CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001545846034 1067198672 /nfs/dbraw/zinc/19/86/72/1067198672.db2.gz ZLGJLGLXZPPZQA-OAQYLSRUSA-N 1 1 472.703 4.547 20 0 JJADMO COCC[N@H+]1CCC[C@H](NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1 ZINC001451966740 1067201144 /nfs/dbraw/zinc/20/11/44/1067201144.db2.gz IUJJLIFLOSKXCN-QHCPKHFHSA-N 1 1 454.014 4.503 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001545849152 1067202559 /nfs/dbraw/zinc/20/25/59/1067202559.db2.gz LBZRQFPQCVNMNG-NHCUHLMSSA-N 1 1 460.711 4.581 20 0 JJADMO O=C(c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2)N1CC[NH+](CCCF)CC1 ZINC001452138666 1067208840 /nfs/dbraw/zinc/20/88/40/1067208840.db2.gz BWTLUWNQUMTRQI-UHFFFAOYSA-N 1 1 453.389 4.565 20 0 JJADMO CC(C)N(C(=O)/C=C\[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001452138256 1067208982 /nfs/dbraw/zinc/20/89/82/1067208982.db2.gz QZAXZIKAGWMQGU-FWWADLIHSA-N 1 1 455.643 4.701 20 0 JJADMO CCC1(CC)CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001546105219 1067212053 /nfs/dbraw/zinc/21/20/53/1067212053.db2.gz ZDLOIHMMNINKFV-JOCHJYFZSA-N 1 1 487.092 4.558 20 0 JJADMO Cn1c(C(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001452180127 1067212744 /nfs/dbraw/zinc/21/27/44/1067212744.db2.gz RSBBEPUONRGVNW-AOHZBQACSA-N 1 1 480.653 4.562 20 0 JJADMO COCC[N@H+]1[C@H](C)CN(C(=O)c2oc3ccccc3c2COc2ccccc2Cl)C[C@@H]1C ZINC001452255924 1067216434 /nfs/dbraw/zinc/21/64/34/1067216434.db2.gz CLNNPPBYOQFZNU-HDICACEKSA-N 1 1 456.970 4.846 20 0 JJADMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2oc3ccccc3c2COc2ccccc2Cl)C[C@@H]1C ZINC001452255924 1067216443 /nfs/dbraw/zinc/21/64/43/1067216443.db2.gz CLNNPPBYOQFZNU-HDICACEKSA-N 1 1 456.970 4.846 20 0 JJADMO CCC(O)(CC)Cn1c(CC2CCCC2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001546038249 1067221926 /nfs/dbraw/zinc/22/19/26/1067221926.db2.gz HAHZMDMCIZDBFH-JOCHJYFZSA-N 1 1 453.675 4.663 20 0 JJADMO CCC(O)(CC)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001546039576 1067230064 /nfs/dbraw/zinc/23/00/64/1067230064.db2.gz DQMSKUKNYSVBRF-JOCHJYFZSA-N 1 1 497.709 4.970 20 0 JJADMO O=C(N[C@H](C[C@@H]1CCCO1)C(F)(F)F)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001452527947 1067231650 /nfs/dbraw/zinc/23/16/50/1067231650.db2.gz QIIXXXXEAQMWLF-BHDDXSALSA-N 1 1 452.492 4.643 20 0 JJADMO C[N@H+]1CCN(C(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)C[C@@H]1C(C)(C)C ZINC001452600190 1067236373 /nfs/dbraw/zinc/23/63/73/1067236373.db2.gz NPZMLQXBCZBMOX-HXUWFJFHSA-N 1 1 458.400 4.504 20 0 JJADMO C[N@H+]1CCN(C(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)C[C@H]1C(C)(C)C ZINC001452605220 1067236400 /nfs/dbraw/zinc/23/64/00/1067236400.db2.gz WDARWQMMNVEKRV-QHCPKHFHSA-N 1 1 459.700 4.810 20 0 JJADMO CC(C)(C)c1ccc(OCc2ccc(C(=O)N[C@@H]3C[C@H]([NH+]4CCOCC4)C3(C)C)cc2)cc1 ZINC001452714146 1067246145 /nfs/dbraw/zinc/24/61/45/1067246145.db2.gz NDRRCOXCZXTWIX-RPBOFIJWSA-N 1 1 450.623 4.792 20 0 JJADMO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 ZINC001452725579 1067246546 /nfs/dbraw/zinc/24/65/46/1067246546.db2.gz IYBARYAJHISTCP-RBUKOAKNSA-N 1 1 454.514 4.543 20 0 JJADMO Cc1sc2ncnc(SCC(=O)N3C[C@H](C)[N@H+](Cc4ccccc4)[C@H](C)[C@H]3C)c2c1C ZINC001452779546 1067251846 /nfs/dbraw/zinc/25/18/46/1067251846.db2.gz XVLKRQVGRMBYMJ-CGTJXYLNSA-N 1 1 454.665 4.910 20 0 JJADMO Cc1sc2ncnc(SCC(=O)N3C[C@H](C)[N@H+](Cc4ccccc4)[C@H](C)[C@@H]3C)c2c1C ZINC001452779551 1067251912 /nfs/dbraw/zinc/25/19/12/1067251912.db2.gz XVLKRQVGRMBYMJ-JQHSSLGASA-N 1 1 454.665 4.910 20 0 JJADMO O=C(OCc1ccccc1)[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001459116206 1067253535 /nfs/dbraw/zinc/25/35/35/1067253535.db2.gz UREMIZJFNYIAMI-SVBPBHIXSA-N 1 1 456.586 4.542 20 0 JJADMO CCOC(=O)c1c2c(sc1NC(=O)CS[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC001459138200 1067258393 /nfs/dbraw/zinc/25/83/93/1067258393.db2.gz CBIVSBUREGUBFV-SFHVURJKSA-N 1 1 458.649 4.750 20 0 JJADMO Cc1cc(C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001452968437 1067269179 /nfs/dbraw/zinc/26/91/79/1067269179.db2.gz DFVPKNGFAYIFKL-FQEVSTJZSA-N 1 1 457.405 4.877 20 0 JJADMO Cc1cc(Br)c2c(c1)CN(C(=O)c1ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc1)CC2 ZINC001459238835 1067276304 /nfs/dbraw/zinc/27/63/04/1067276304.db2.gz AJRHEIMAWOJLOK-HDICACEKSA-N 1 1 457.412 4.565 20 0 JJADMO Cc1cc(Br)c2c(c1)CN(C(=O)c1ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc1)CC2 ZINC001459238835 1067276312 /nfs/dbraw/zinc/27/63/12/1067276312.db2.gz AJRHEIMAWOJLOK-HDICACEKSA-N 1 1 457.412 4.565 20 0 JJADMO COc1ccc(C[N@@H+](C)CC[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1F ZINC001459307094 1067289131 /nfs/dbraw/zinc/28/91/31/1067289131.db2.gz AQLPIVISMLXKPW-DEOSSOPVSA-N 1 1 456.583 4.684 20 0 JJADMO CCSc1ccc(C[NH+]2CCC(C(=O)NCCCOC(C)C)CC2)c(Br)c1 ZINC001459316352 1067292070 /nfs/dbraw/zinc/29/20/70/1067292070.db2.gz WNCFMQSUTJZRRU-UHFFFAOYSA-N 1 1 457.478 4.704 20 0 JJADMO COc1ccccc1OCC[N@@H+](C)CCOc1c(Br)cccc1Br ZINC001459322969 1067294478 /nfs/dbraw/zinc/29/44/78/1067294478.db2.gz DSCMMEFNNKQPCC-UHFFFAOYSA-N 1 1 459.178 4.610 20 0 JJADMO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N(C)CCCNC(=O)OC(C)(C)C)c1 ZINC001453304920 1067295963 /nfs/dbraw/zinc/29/59/63/1067295963.db2.gz XEWRHKQOCOQQEA-LOSJGSFVSA-N 1 1 465.638 4.584 20 0 JJADMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc32)C1 ZINC001453317324 1067296747 /nfs/dbraw/zinc/29/67/47/1067296747.db2.gz DFPJNKKPOVXKNE-KRWDZBQOSA-N 1 1 453.384 4.662 20 0 JJADMO CC[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[C@H](C)c1ccc(F)cc1 ZINC001459343486 1067298805 /nfs/dbraw/zinc/29/88/05/1067298805.db2.gz BEJZDLOSODPKJM-MRXNPFEDSA-N 1 1 453.480 4.703 20 0 JJADMO CC[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[C@H](C)c1ccc(F)cc1 ZINC001459343486 1067298814 /nfs/dbraw/zinc/29/88/14/1067298814.db2.gz BEJZDLOSODPKJM-MRXNPFEDSA-N 1 1 453.480 4.703 20 0 JJADMO CCC[N@@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)[C@@H](C)c1cc2ccccc2o1 ZINC001459342828 1067298831 /nfs/dbraw/zinc/29/88/31/1067298831.db2.gz GJMSLKUETXFMLI-KRWDZBQOSA-N 1 1 451.523 4.715 20 0 JJADMO Cc1ccc([C@H](C)[N@@H+](C)CC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)c(C)c1 ZINC001459349389 1067300740 /nfs/dbraw/zinc/30/07/40/1067300740.db2.gz KWZAEEYUIRSONL-IBGZPJMESA-N 1 1 459.546 4.916 20 0 JJADMO CC(C)(C)OC(=O)N1CCO[C@H](c2ccc(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)cc2)C1 ZINC001453400575 1067304524 /nfs/dbraw/zinc/30/45/24/1067304524.db2.gz NRRGLWZONFIKJT-OFNKIYASSA-N 1 1 457.615 4.588 20 0 JJADMO CCCCCC[N@@H+](C)CC(=O)Nc1nc(-c2c[nH]c3ncc(Br)cc23)cs1 ZINC001453458270 1067307183 /nfs/dbraw/zinc/30/71/83/1067307183.db2.gz BIUAZICWCPCMEC-UHFFFAOYSA-N 1 1 450.406 4.900 20 0 JJADMO CC(C)[C@H]1CN(C(=O)c2cc3cccc(C(F)(F)F)c3[nH]c2=O)CC[N@H+]1Cc1ccccc1 ZINC001453496444 1067309289 /nfs/dbraw/zinc/30/92/89/1067309289.db2.gz MFPKZDMSYGGFBE-OAQYLSRUSA-N 1 1 457.496 4.942 20 0 JJADMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC001459398585 1067313078 /nfs/dbraw/zinc/31/30/78/1067313078.db2.gz WSNOJNFUPXCLAN-MDKPJZGXSA-N 1 1 454.442 4.674 20 0 JJADMO C[N@@H+](CCCCCc1cc(-c2ccccc2)no1)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC001459404866 1067314624 /nfs/dbraw/zinc/31/46/24/1067314624.db2.gz IEAVANGZIBJIIP-UHFFFAOYSA-N 1 1 457.477 4.946 20 0 JJADMO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC001459413767 1067317878 /nfs/dbraw/zinc/31/78/78/1067317878.db2.gz GUGYBYBKWKIISL-HXUWFJFHSA-N 1 1 451.592 4.563 20 0 JJADMO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC001459413767 1067317891 /nfs/dbraw/zinc/31/78/91/1067317891.db2.gz GUGYBYBKWKIISL-HXUWFJFHSA-N 1 1 451.592 4.563 20 0 JJADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1c(F)ccc(Br)c1F ZINC001459414934 1067318610 /nfs/dbraw/zinc/31/86/10/1067318610.db2.gz LAEPVKDYOXAZFR-IBGZPJMESA-N 1 1 451.355 4.687 20 0 JJADMO Cc1cc(C)c(NC(=O)CCC[N@@H+](CCO)Cc2cc(Br)ccc2F)c(C)c1 ZINC001459437581 1067324753 /nfs/dbraw/zinc/32/47/53/1067324753.db2.gz GBCICHXUGAXQLM-UHFFFAOYSA-N 1 1 451.380 4.727 20 0 JJADMO CCOC(=O)C1C(C[NH2+]C(C)(C)CCc2ccccc2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001459440994 1067325600 /nfs/dbraw/zinc/32/56/00/1067325600.db2.gz UMXZPGHQHWNPKB-JOCHJYFZSA-N 1 1 455.986 4.512 20 0 JJADMO O=C(c1c(Cl)cccc1Oc1ccc(F)c(Cl)c1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001453742076 1067326133 /nfs/dbraw/zinc/32/61/33/1067326133.db2.gz YQVXYTCEVOIZAM-OAHLLOKOSA-N 1 1 453.341 4.596 20 0 JJADMO CC(C)(C)OC(=O)N1CCN(C(=O)CC[N@@H+](Cc2ccccc2Cl)C2CCCC2)CC1 ZINC001459451875 1067327044 /nfs/dbraw/zinc/32/70/44/1067327044.db2.gz TUIXBUREWXAPQQ-UHFFFAOYSA-N 1 1 450.023 4.554 20 0 JJADMO COc1cccc(OC)c1OC[C@@H](O)C[N@@H+](Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC001459451667 1067327151 /nfs/dbraw/zinc/32/71/51/1067327151.db2.gz SDKQVJVHDXWBCC-IBGZPJMESA-N 1 1 453.501 4.907 20 0 JJADMO CS(=O)(=O)c1cccc(OCC[N@H+](Cc2ccccc2OC(F)(F)F)C2CCCC2)c1 ZINC001459466258 1067331228 /nfs/dbraw/zinc/33/12/28/1067331228.db2.gz KULKILBRTUILBC-UHFFFAOYSA-N 1 1 457.514 4.812 20 0 JJADMO CS(=O)(=O)c1cccc(OCC[N@@H+](Cc2ccccc2OC(F)(F)F)C2CCCC2)c1 ZINC001459466258 1067331243 /nfs/dbraw/zinc/33/12/43/1067331243.db2.gz KULKILBRTUILBC-UHFFFAOYSA-N 1 1 457.514 4.812 20 0 JJADMO C[N@H+](CCOc1ccc(Oc2ccccc2)cc1)CC(=O)Nc1ccc(Br)cn1 ZINC001459469239 1067332781 /nfs/dbraw/zinc/33/27/81/1067332781.db2.gz PSDVRAWEDILVFG-UHFFFAOYSA-N 1 1 456.340 4.586 20 0 JJADMO C[N@@H+](CCOc1ccc(Oc2ccccc2)cc1)CC(=O)Nc1ccc(Br)cn1 ZINC001459469239 1067332792 /nfs/dbraw/zinc/33/27/92/1067332792.db2.gz PSDVRAWEDILVFG-UHFFFAOYSA-N 1 1 456.340 4.586 20 0 JJADMO C[C@@H]1C[N@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001459489209 1067337148 /nfs/dbraw/zinc/33/71/48/1067337148.db2.gz OTEIUNMTSRLEGU-YYDVJCTNSA-N 1 1 457.640 4.674 20 0 JJADMO COc1ccc(CC[N@H+](Cc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)CC(C)(C)C)cc1 ZINC001459491697 1067337680 /nfs/dbraw/zinc/33/76/80/1067337680.db2.gz QQLOJLNAXJFVEH-UHFFFAOYSA-N 1 1 456.608 4.845 20 0 JJADMO COc1ccc(CC[N@@H+](Cc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)CC(C)(C)C)cc1 ZINC001459491697 1067337694 /nfs/dbraw/zinc/33/76/94/1067337694.db2.gz QQLOJLNAXJFVEH-UHFFFAOYSA-N 1 1 456.608 4.845 20 0 JJADMO CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)C[N@H+]1CCC(=O)Nc1cc(F)ccc1C ZINC001459508429 1067341067 /nfs/dbraw/zinc/34/10/67/1067341067.db2.gz BDNUZTDKUIYKTP-PKTZIBPZSA-N 1 1 455.574 4.974 20 0 JJADMO CCOC(=O)c1sc(-c2ccc(Cl)cc2Cl)cc1NC(=O)C[N@H+](C)CC[C@@H](C)O ZINC001459518751 1067343387 /nfs/dbraw/zinc/34/33/87/1067343387.db2.gz NQJCIPFIJDUREI-GFCCVEGCSA-N 1 1 459.395 4.540 20 0 JJADMO CCOC(=O)c1sc(-c2ccc(Cl)cc2Cl)cc1NC(=O)C[N@@H+](C)CC[C@@H](C)O ZINC001459518751 1067343396 /nfs/dbraw/zinc/34/33/96/1067343396.db2.gz NQJCIPFIJDUREI-GFCCVEGCSA-N 1 1 459.395 4.540 20 0 JJADMO Cc1c2ccccc2sc1C(=O)N1CC[NH+](C[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001459522082 1067343948 /nfs/dbraw/zinc/34/39/48/1067343948.db2.gz BKXQDHOGYFRUAR-RBUKOAKNSA-N 1 1 457.640 4.661 20 0 JJADMO C[N@H+](Cc1cc2c(cc1OC(F)F)OCO2)Cc1cc(Br)cc2cccnc21 ZINC001459527820 1067345050 /nfs/dbraw/zinc/34/50/50/1067345050.db2.gz NESWEDUNDGVQCD-UHFFFAOYSA-N 1 1 451.267 4.959 20 0 JJADMO C[N@@H+](Cc1cc2c(cc1OC(F)F)OCO2)Cc1cc(Br)cc2cccnc21 ZINC001459527820 1067345061 /nfs/dbraw/zinc/34/50/61/1067345061.db2.gz NESWEDUNDGVQCD-UHFFFAOYSA-N 1 1 451.267 4.959 20 0 JJADMO Cc1cccc(OC[C@@H](O)C[N@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C(C)C)c1 ZINC001459548027 1067348917 /nfs/dbraw/zinc/34/89/17/1067348917.db2.gz GPRDGRVSKCMZGY-VWLOTQADSA-N 1 1 458.602 4.909 20 0 JJADMO Cc1cccc(OC[C@@H](O)C[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C(C)C)c1 ZINC001459548027 1067348927 /nfs/dbraw/zinc/34/89/27/1067348927.db2.gz GPRDGRVSKCMZGY-VWLOTQADSA-N 1 1 458.602 4.909 20 0 JJADMO Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)cc1 ZINC001459567334 1067354208 /nfs/dbraw/zinc/35/42/08/1067354208.db2.gz VBIIOGMAPHRXKL-RCZSKKKRSA-N 1 1 459.512 4.869 20 0 JJADMO Cc1ccc(CCN(CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)Cc2ccco2)cc1 ZINC001459581915 1067356562 /nfs/dbraw/zinc/35/65/62/1067356562.db2.gz LPASMSXMTSMVPS-UHFFFAOYSA-N 1 1 459.634 4.676 20 0 JJADMO C[N@@H+](C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@@H]1CCSc2ccc(Br)cc21 ZINC001459580493 1067356723 /nfs/dbraw/zinc/35/67/23/1067356723.db2.gz DMBJAIZLIJIKAV-NVXWUHKLSA-N 1 1 457.434 4.554 20 0 JJADMO CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)CN(C)CC[C@H]1CCCC[N@H+]1C ZINC001459583343 1067357005 /nfs/dbraw/zinc/35/70/05/1067357005.db2.gz QYHSUNZXSYVVQW-HXUWFJFHSA-N 1 1 457.640 4.645 20 0 JJADMO CCCCn1c(C[N@@H+]2CCC[C@](C)(CCC)C2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC001459590349 1067358657 /nfs/dbraw/zinc/35/86/57/1067358657.db2.gz XEFGVTGWQRHYJD-SANMLTNESA-N 1 1 451.615 4.549 20 0 JJADMO CCCCn1c(C[N@H+]2CCC[C@](C)(CCC)C2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC001459590349 1067358661 /nfs/dbraw/zinc/35/86/61/1067358661.db2.gz XEFGVTGWQRHYJD-SANMLTNESA-N 1 1 451.615 4.549 20 0 JJADMO Cc1cc(NC(=O)C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)n(-c2ccc(F)cc2)n1 ZINC001459611891 1067363469 /nfs/dbraw/zinc/36/34/69/1067363469.db2.gz YTSTVFXNNKGQGR-NHCUHLMSSA-N 1 1 456.587 4.688 20 0 JJADMO CC[N@@H+](CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)C[C@@H](O)c1ccc(C)cc1 ZINC001459633830 1067369405 /nfs/dbraw/zinc/36/94/05/1067369405.db2.gz COLICXKTTWTQLQ-LEAFIULHSA-N 1 1 455.602 4.780 20 0 JJADMO CC[N@H+](CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)C[C@@H](O)c1ccc(C)cc1 ZINC001459633830 1067369416 /nfs/dbraw/zinc/36/94/16/1067369416.db2.gz COLICXKTTWTQLQ-LEAFIULHSA-N 1 1 455.602 4.780 20 0 JJADMO C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[NH+]1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC001459658038 1067373401 /nfs/dbraw/zinc/37/34/01/1067373401.db2.gz WXXWYCLYQNNIST-GOSISDBHSA-N 1 1 459.421 4.605 20 0 JJADMO COc1ccc(C[C@H]2CC[N@H+]2[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)cc1 ZINC001459660619 1067374336 /nfs/dbraw/zinc/37/43/36/1067374336.db2.gz ZJUPVYDXSFJFLZ-IFMALSPDSA-N 1 1 457.412 4.887 20 0 JJADMO CC[N@@H+](Cc1nc2sc(C)c(C)c2c(N)n1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001459674718 1067380147 /nfs/dbraw/zinc/38/01/47/1067380147.db2.gz YWGNWHKNDNTSFF-UHFFFAOYSA-N 1 1 453.660 4.603 20 0 JJADMO CC[N@@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001459674512 1067380265 /nfs/dbraw/zinc/38/02/65/1067380265.db2.gz XFMSUISMGCYWPX-UHFFFAOYSA-N 1 1 456.541 4.728 20 0 JJADMO Cc1ccc(NC(=O)C2CC[NH+](CC(=O)Nc3ccc(Oc4cccc(C)c4)cc3)CC2)nc1 ZINC001459678195 1067381230 /nfs/dbraw/zinc/38/12/30/1067381230.db2.gz VNHQMWNVOYJDDB-UHFFFAOYSA-N 1 1 458.562 4.780 20 0 JJADMO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001459685107 1067382970 /nfs/dbraw/zinc/38/29/70/1067382970.db2.gz KSCGQEXEAFYWRX-MXEMCNAFSA-N 1 1 451.652 4.743 20 0 JJADMO CCc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)NCc1cccc(COCc3ccco3)c1)CCC2 ZINC001459693343 1067385748 /nfs/dbraw/zinc/38/57/48/1067385748.db2.gz GWZQTWBSQDPRSC-QFIPXVFZSA-N 1 1 453.608 4.641 20 0 JJADMO CCc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)NCc1cccc(COCc3ccco3)c1)CCC2 ZINC001459693343 1067385759 /nfs/dbraw/zinc/38/57/59/1067385759.db2.gz GWZQTWBSQDPRSC-QFIPXVFZSA-N 1 1 453.608 4.641 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NC[C@]3(C)CC[N@@H+](Cc4ccccc4)C3)CCCC[C@H]12 ZINC001459708555 1067390301 /nfs/dbraw/zinc/39/03/01/1067390301.db2.gz QSHPUZUBVVBDNC-WDDWZANVSA-N 1 1 455.643 4.585 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001459710096 1067391081 /nfs/dbraw/zinc/39/10/81/1067391081.db2.gz XYJNJZCWYGUURN-QHWMMSMNSA-N 1 1 457.659 4.879 20 0 JJADMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC001459712358 1067392167 /nfs/dbraw/zinc/39/21/67/1067392167.db2.gz BJVHNDBEFGPQPL-ZBFHGGJFSA-N 1 1 458.921 4.744 20 0 JJADMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC001459712358 1067392176 /nfs/dbraw/zinc/39/21/76/1067392176.db2.gz BJVHNDBEFGPQPL-ZBFHGGJFSA-N 1 1 458.921 4.744 20 0 JJADMO CC(C)(C)OC(=O)N1CCCC[C@H](C[N@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)C1 ZINC001459714240 1067392823 /nfs/dbraw/zinc/39/28/23/1067392823.db2.gz ADDMAIKLBZJECC-CTNGQTDRSA-N 1 1 455.599 4.664 20 0 JJADMO CC(C)(C)OC(=O)N1CCCC[C@@H](C[N@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)C1 ZINC001459714256 1067392888 /nfs/dbraw/zinc/39/28/88/1067392888.db2.gz ADDMAIKLBZJECC-FPOVZHCZSA-N 1 1 455.599 4.664 20 0 JJADMO CCOC(=O)c1cc(C)sc1NC(=O)C[NH2+][C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC001459716180 1067393674 /nfs/dbraw/zinc/39/36/74/1067393674.db2.gz GGHZYXSXWMVRQN-QFIPXVFZSA-N 1 1 456.539 4.699 20 0 JJADMO O=C(NC[C@H]1CCC[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1)Nc1cccc(F)c1 ZINC001459730085 1067398328 /nfs/dbraw/zinc/39/83/28/1067398328.db2.gz KAYZLGXMJHBGCU-MRXNPFEDSA-N 1 1 457.937 4.605 20 0 JJADMO COCc1cccc(OCC2(C[N@H+]3CCC[C@H](C(=O)Nc4ccc(Cl)cn4)C3)CCC2)c1 ZINC001459740304 1067400967 /nfs/dbraw/zinc/40/09/67/1067400967.db2.gz GVKZFBFSNRGJPF-FQEVSTJZSA-N 1 1 458.002 4.781 20 0 JJADMO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001459744248 1067403075 /nfs/dbraw/zinc/40/30/75/1067403075.db2.gz WJAAAPRVBUWSIR-CHWSQXEVSA-N 1 1 455.773 4.720 20 0 JJADMO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001459744248 1067403077 /nfs/dbraw/zinc/40/30/77/1067403077.db2.gz WJAAAPRVBUWSIR-CHWSQXEVSA-N 1 1 455.773 4.720 20 0 JJADMO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001459745687 1067403989 /nfs/dbraw/zinc/40/39/89/1067403989.db2.gz AVMGTJQQWQMZFA-HXUWFJFHSA-N 1 1 451.611 4.841 20 0 JJADMO CCN(CC(F)(F)F)C(=O)C[NH2+][C@H](c1ccccc1)c1ccc(OC)c(Br)c1 ZINC001459751924 1067406402 /nfs/dbraw/zinc/40/64/02/1067406402.db2.gz CHPZLZZXMXFHHN-LJQANCHMSA-N 1 1 459.306 4.548 20 0 JJADMO C[C@H]1CCc2c(sc3nc(CC[N@@H+](C)Cc4cccc(OC(F)(F)F)c4)nc(N)c23)C1 ZINC001459755201 1067408534 /nfs/dbraw/zinc/40/85/34/1067408534.db2.gz JGPCXKRDRGVFKI-ZDUSSCGKSA-N 1 1 450.530 4.971 20 0 JJADMO C[N@H+]1CCN(CC(=O)Nc2cc(-c3ccc(C(C)(C)C)cc3)nn2-c2ccccc2)C(C)(C)C1 ZINC001459761382 1067411884 /nfs/dbraw/zinc/41/18/84/1067411884.db2.gz BOOPQOTTXNWHNB-UHFFFAOYSA-N 1 1 459.638 4.801 20 0 JJADMO CSc1ccccc1NC(=O)CC[N@H+](Cc1cc(C)nc(N2CCCCC2)n1)CC(C)C ZINC001459774177 1067416677 /nfs/dbraw/zinc/41/66/77/1067416677.db2.gz IZXYZRCLARIUJN-UHFFFAOYSA-N 1 1 455.672 4.984 20 0 JJADMO Cc1cccc(S(=O)(=O)CCC[N@@H+]2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)c1 ZINC001459777744 1067416987 /nfs/dbraw/zinc/41/69/87/1067416987.db2.gz GYYPJIZALHYMTM-NRFANRHFSA-N 1 1 459.656 4.934 20 0 JJADMO Cc1cccc(S(=O)(=O)CCC[N@H+]2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)c1 ZINC001459777744 1067416993 /nfs/dbraw/zinc/41/69/93/1067416993.db2.gz GYYPJIZALHYMTM-NRFANRHFSA-N 1 1 459.656 4.934 20 0 JJADMO CC(C)(COc1ncccc1Br)[NH2+]Cc1nnc(-c2cccc3ccccc32)o1 ZINC001459779156 1067417796 /nfs/dbraw/zinc/41/77/96/1067417796.db2.gz LGVKEVFGYAUAQV-UHFFFAOYSA-N 1 1 453.340 4.995 20 0 JJADMO C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001459782401 1067419552 /nfs/dbraw/zinc/41/95/52/1067419552.db2.gz YPXVFKQFVHRFTF-LQWHRVPQSA-N 1 1 450.023 4.629 20 0 JJADMO CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC001459788378 1067422757 /nfs/dbraw/zinc/42/27/57/1067422757.db2.gz BODVOTWSWPFRQT-WZONZLPQSA-N 1 1 454.018 4.868 20 0 JJADMO O=C1[C@@H]([N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CCCN1Cc1ccc(F)cc1F ZINC001459788361 1067422791 /nfs/dbraw/zinc/42/27/91/1067422791.db2.gz PEGKLVWTPVYNDV-PBHICJAKSA-N 1 1 459.484 4.811 20 0 JJADMO O=C1[C@@H]([N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CCCN1Cc1ccc(F)cc1F ZINC001459788361 1067422793 /nfs/dbraw/zinc/42/27/93/1067422793.db2.gz PEGKLVWTPVYNDV-PBHICJAKSA-N 1 1 459.484 4.811 20 0 JJADMO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CC(=O)N(CC)[C@H](C)c1ccc(F)cc1 ZINC001459792851 1067425669 /nfs/dbraw/zinc/42/56/69/1067425669.db2.gz WDKWFECZMOBFBV-UNIVCBNLSA-N 1 1 454.634 4.671 20 0 JJADMO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC001459794791 1067427153 /nfs/dbraw/zinc/42/71/53/1067427153.db2.gz FAMNYUNNWDUICF-RBUKOAKNSA-N 1 1 456.608 4.506 20 0 JJADMO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC001459794791 1067427157 /nfs/dbraw/zinc/42/71/57/1067427157.db2.gz FAMNYUNNWDUICF-RBUKOAKNSA-N 1 1 456.608 4.506 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(SC(F)F)cc3)C[C@H]21 ZINC001459805611 1067431212 /nfs/dbraw/zinc/43/12/12/1067431212.db2.gz OADSDJOCUTYCFX-ZTFGCOKTSA-N 1 1 455.571 4.565 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc(SC(F)F)cc3)C[C@H]21 ZINC001459805606 1067431265 /nfs/dbraw/zinc/43/12/65/1067431265.db2.gz OADSDJOCUTYCFX-BMGDILEWSA-N 1 1 455.571 4.565 20 0 JJADMO CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CC[N@@H+]1[C@@H](C)C(=O)NCc1ccccc1F ZINC001459817425 1067436519 /nfs/dbraw/zinc/43/65/19/1067436519.db2.gz CSMQMUWNBXRBHM-LAUBAEHRSA-N 1 1 451.508 4.840 20 0 JJADMO CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CC[N@H+]1[C@@H](C)C(=O)NCc1ccccc1F ZINC001459817425 1067436522 /nfs/dbraw/zinc/43/65/22/1067436522.db2.gz CSMQMUWNBXRBHM-LAUBAEHRSA-N 1 1 451.508 4.840 20 0 JJADMO C[C@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc2[C@H]1O)c1ccc(F)cc1OC(F)F ZINC001459825959 1067441364 /nfs/dbraw/zinc/44/13/64/1067441364.db2.gz VWFPVIFUVFJDJH-WSXQUGQNSA-N 1 1 452.473 4.935 20 0 JJADMO COc1ccc(C[N@@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)[C@H]2CCCC[C@H]2C)cc1OC ZINC001459832144 1067444415 /nfs/dbraw/zinc/44/44/15/1067444415.db2.gz FAAFBHWHRUAIPZ-UTKZUKDTSA-N 1 1 455.986 4.946 20 0 JJADMO Cn1ncc(I)c1C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC001459834983 1067445824 /nfs/dbraw/zinc/44/58/24/1067445824.db2.gz IWXOCAMPCQFAHZ-SFHVURJKSA-N 1 1 451.739 4.752 20 0 JJADMO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1Cl)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC001459847379 1067452403 /nfs/dbraw/zinc/45/24/03/1067452403.db2.gz BNJVCOHLZOUWMV-BFHYXJOUSA-N 1 1 457.785 4.984 20 0 JJADMO Cc1ccc(NC(=O)C[NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1Cl ZINC001459847262 1067452439 /nfs/dbraw/zinc/45/24/39/1067452439.db2.gz NGVOTWWBKFHYLV-IBGZPJMESA-N 1 1 453.892 4.559 20 0 JJADMO CCC1(CC)CCN(c2nnc(COc3ccccc3OC)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001546112241 1067452561 /nfs/dbraw/zinc/45/25/61/1067452561.db2.gz JUDCBTGAUARRBW-NRFANRHFSA-N 1 1 455.647 4.614 20 0 JJADMO O[C@@H](C[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1)c1ccc(F)c(Br)c1 ZINC001459851028 1067456113 /nfs/dbraw/zinc/45/61/13/1067456113.db2.gz GFBJYITZJDCSGL-APWZRJJASA-N 1 1 451.384 4.667 20 0 JJADMO O[C@@H](C[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1)c1ccc(F)c(Br)c1 ZINC001459851028 1067456120 /nfs/dbraw/zinc/45/61/20/1067456120.db2.gz GFBJYITZJDCSGL-APWZRJJASA-N 1 1 451.384 4.667 20 0 JJADMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC001459865756 1067463580 /nfs/dbraw/zinc/46/35/80/1067463580.db2.gz YROVUKJTIHHNLX-LSDHHAIUSA-N 1 1 450.377 4.839 20 0 JJADMO C[N@@H+](Cc1ccc(S(=O)(=O)NC2CC2)cc1)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001459870448 1067466900 /nfs/dbraw/zinc/46/69/00/1067466900.db2.gz NMFVYFZNKJULBX-VXKWHMMOSA-N 1 1 452.542 4.914 20 0 JJADMO CC[C@H](c1ccncc1)[N@H+](C)CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC001459891235 1067475266 /nfs/dbraw/zinc/47/52/66/1067475266.db2.gz MOMRCJCLGFGAMX-SHQCIBLASA-N 1 1 456.590 4.903 20 0 JJADMO CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC001459891235 1067475269 /nfs/dbraw/zinc/47/52/69/1067475269.db2.gz MOMRCJCLGFGAMX-SHQCIBLASA-N 1 1 456.590 4.903 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1cc(F)c(N2CCOCC2)cc1F ZINC001459893410 1067476588 /nfs/dbraw/zinc/47/65/88/1067476588.db2.gz FZCPLGSJJNDLTB-NHCUHLMSSA-N 1 1 457.565 4.534 20 0 JJADMO CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC001459894116 1067477191 /nfs/dbraw/zinc/47/71/91/1067477191.db2.gz OATVUUMFKJZHIK-QGZVFWFLSA-N 1 1 454.958 4.693 20 0 JJADMO CCC1(CC)CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001546112210 1067477761 /nfs/dbraw/zinc/47/77/61/1067477761.db2.gz IJLGESMKFLZCMK-UHFFFAOYSA-N 1 1 476.065 4.638 20 0 JJADMO CCC1(CC)CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001546112210 1067477764 /nfs/dbraw/zinc/47/77/64/1067477764.db2.gz IJLGESMKFLZCMK-UHFFFAOYSA-N 1 1 476.065 4.638 20 0 JJADMO Cc1sc([C@@H](C)[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)nc1-c1ccc(Cl)cc1 ZINC001459909689 1067485114 /nfs/dbraw/zinc/48/51/14/1067485114.db2.gz LRQHKQICZQVBGD-CQSZACIVSA-N 1 1 450.029 4.873 20 0 JJADMO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001459910017 1067485128 /nfs/dbraw/zinc/48/51/28/1067485128.db2.gz UCPPYOMDCJUSTD-VKIDHGPPSA-N 1 1 451.611 4.738 20 0 JJADMO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)c1nc(C)cs1 ZINC001459930407 1067496011 /nfs/dbraw/zinc/49/60/11/1067496011.db2.gz YRTBKBUZHJMPKW-VQIMIIECSA-N 1 1 452.580 4.780 20 0 JJADMO COc1ccc(-n2c(C[NH2+][C@H](CO)c3cccc(Br)c3)nc3ccccc32)cc1 ZINC001459932845 1067496950 /nfs/dbraw/zinc/49/69/50/1067496950.db2.gz MXPOOQWLOPQLQP-OAQYLSRUSA-N 1 1 452.352 4.620 20 0 JJADMO C[N@H+](Cc1ccccc1)C[C@H](CN[C@@H](CO)c1cccc(Br)c1)c1ccccc1 ZINC001459935386 1067498022 /nfs/dbraw/zinc/49/80/22/1067498022.db2.gz UYKJRROYSQYHQF-ZCYQVOJMSA-N 1 1 453.424 4.988 20 0 JJADMO CCC[N@H+](C)[C@H](CNC(=O)[C@H](C(C)C)S(=O)(=O)C1CCCCC1)c1ccc(Cl)cc1 ZINC001459942995 1067500965 /nfs/dbraw/zinc/50/09/65/1067500965.db2.gz BCWGFSLWFBDXLW-YADHBBJMSA-N 1 1 457.080 4.611 20 0 JJADMO CCC[N@@H+](C)[C@H](CNC(=O)[C@H](C(C)C)S(=O)(=O)C1CCCCC1)c1ccc(Cl)cc1 ZINC001459942995 1067500973 /nfs/dbraw/zinc/50/09/73/1067500973.db2.gz BCWGFSLWFBDXLW-YADHBBJMSA-N 1 1 457.080 4.611 20 0 JJADMO COC(=O)c1scc(C)c1NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC001459948602 1067503109 /nfs/dbraw/zinc/50/31/09/1067503109.db2.gz BSYVGLYJLHCGNW-CHWSQXEVSA-N 1 1 459.395 4.876 20 0 JJADMO COC(=O)c1scc(C)c1NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC001459948602 1067503118 /nfs/dbraw/zinc/50/31/18/1067503118.db2.gz BSYVGLYJLHCGNW-CHWSQXEVSA-N 1 1 459.395 4.876 20 0 JJADMO COCC[N@@H+](CCCOc1c(Br)cccc1Br)Cc1cccnc1 ZINC001459949409 1067503957 /nfs/dbraw/zinc/50/39/57/1067503957.db2.gz DLUSXIKUABWZRZ-UHFFFAOYSA-N 1 1 458.194 4.524 20 0 JJADMO COc1ccc(-n2c(C[NH+]3CCC(C)(NC(=O)OC(C)(C)C)CC3)nc3ccccc32)cc1 ZINC001459955487 1067505957 /nfs/dbraw/zinc/50/59/57/1067505957.db2.gz HQKZFQOHFMFBAV-UHFFFAOYSA-N 1 1 450.583 4.913 20 0 JJADMO COc1cc2ccccc2cc1-c1nnc(C[N@H+](C)[C@@H](CNC(=O)OC(C)(C)C)C2CC2)o1 ZINC001459960196 1067508049 /nfs/dbraw/zinc/50/80/49/1067508049.db2.gz MATROWNBIHJRCS-FQEVSTJZSA-N 1 1 452.555 4.634 20 0 JJADMO COc1cc2ccccc2cc1-c1nnc(C[N@@H+](C)[C@@H](CNC(=O)OC(C)(C)C)C2CC2)o1 ZINC001459960196 1067508056 /nfs/dbraw/zinc/50/80/56/1067508056.db2.gz MATROWNBIHJRCS-FQEVSTJZSA-N 1 1 452.555 4.634 20 0 JJADMO C[N@H+](CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1)CC1(CO)CC1 ZINC001459978384 1067513811 /nfs/dbraw/zinc/51/38/11/1067513811.db2.gz FFCBCLRGPANCNJ-UHFFFAOYSA-N 1 1 456.011 4.701 20 0 JJADMO C[N@@H+](CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1)CC1(CO)CC1 ZINC001459978384 1067513820 /nfs/dbraw/zinc/51/38/20/1067513820.db2.gz FFCBCLRGPANCNJ-UHFFFAOYSA-N 1 1 456.011 4.701 20 0 JJADMO COc1ccc2c(c1)C[C@H](C[N@H+](Cc1ccccc1)C[C@@H](O)c1cccc(OC(F)F)c1)O2 ZINC001459978975 1067513844 /nfs/dbraw/zinc/51/38/44/1067513844.db2.gz CPSYWIXCDOHHTO-DNQXCXABSA-N 1 1 455.501 4.836 20 0 JJADMO O=C(C[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC001459990041 1067517216 /nfs/dbraw/zinc/51/72/16/1067517216.db2.gz XISYLBFYHOBTCK-DFCKQENNSA-N 1 1 454.058 4.984 20 0 JJADMO Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC001459990469 1067517543 /nfs/dbraw/zinc/51/75/43/1067517543.db2.gz MCPFOMACKFBPRR-HNNXBMFYSA-N 1 1 456.892 4.858 20 0 JJADMO CC[C@@]1(CO)CCC[N@@H+](C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001459992126 1067518536 /nfs/dbraw/zinc/51/85/36/1067518536.db2.gz FWPTYEPFMQGGMC-ISKFKSNPSA-N 1 1 452.422 4.945 20 0 JJADMO Cc1ccc(CN(Cc2ccco2)C[C@H](O)C[N@H+](C)Cc2ccccc2)c(Br)c1 ZINC001460005306 1067523593 /nfs/dbraw/zinc/52/35/93/1067523593.db2.gz CYGSBINTGAZGRA-JOCHJYFZSA-N 1 1 457.412 4.846 20 0 JJADMO COc1cc(-c2nc(C[N@@H+]3CC[C@@]4(C3)CCCN(C(=O)OC(C)(C)C)C4)cs2)ccc1O ZINC001460011465 1067526453 /nfs/dbraw/zinc/52/64/53/1067526453.db2.gz LBOYKCREAVSVAL-XMMPIXPASA-N 1 1 459.612 4.747 20 0 JJADMO COc1cc(-c2nc(C[N@H+]3CC[C@@]4(C3)CCCN(C(=O)OC(C)(C)C)C4)cs2)ccc1O ZINC001460011465 1067526460 /nfs/dbraw/zinc/52/64/60/1067526460.db2.gz LBOYKCREAVSVAL-XMMPIXPASA-N 1 1 459.612 4.747 20 0 JJADMO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1Cc1cc(=O)oc2cc(NC(C)=O)ccc12 ZINC001460015883 1067528857 /nfs/dbraw/zinc/52/88/57/1067528857.db2.gz BKZAKOXEOYZIEA-GOSISDBHSA-N 1 1 455.352 4.851 20 0 JJADMO CC[C@@H]1Cc2c(Br)cccc2C[N@H+]1Cc1cc(=O)oc2cc(NC(C)=O)ccc12 ZINC001460015883 1067528865 /nfs/dbraw/zinc/52/88/65/1067528865.db2.gz BKZAKOXEOYZIEA-GOSISDBHSA-N 1 1 455.352 4.851 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H](CC[NH+]2CCN(C(=O)c3cc4ccccc4s3)CC2)C1 ZINC001460019366 1067530689 /nfs/dbraw/zinc/53/06/89/1067530689.db2.gz VQUQPMPLCRFQII-IBGZPJMESA-N 1 1 457.640 4.696 20 0 JJADMO C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC001460030159 1067534129 /nfs/dbraw/zinc/53/41/29/1067534129.db2.gz VPJUKHPUBVZNAE-SFHVURJKSA-N 1 1 453.583 4.593 20 0 JJADMO CC[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC001460053888 1067540313 /nfs/dbraw/zinc/54/03/13/1067540313.db2.gz JAELPRDWZWKNIO-QGZVFWFLSA-N 1 1 450.377 4.799 20 0 JJADMO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@H](c3ccncc3)C2)cc1 ZINC001460058726 1067541485 /nfs/dbraw/zinc/54/14/85/1067541485.db2.gz BRBLFXOMVYVLIU-QFIPXVFZSA-N 1 1 458.562 4.551 20 0 JJADMO CCN(CC)C(=O)OC[C@@H]1CCCC[N@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC001460066493 1067544103 /nfs/dbraw/zinc/54/41/03/1067544103.db2.gz HZJHNXOVYQQYMD-DEOSSOPVSA-N 1 1 451.611 4.615 20 0 JJADMO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC001460067514 1067544668 /nfs/dbraw/zinc/54/46/68/1067544668.db2.gz DVLICJSLAIXHPE-SFHVURJKSA-N 1 1 454.409 4.547 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC001460067282 1067544770 /nfs/dbraw/zinc/54/47/70/1067544770.db2.gz DJAHFDKKTCCROK-JMTTVTNBSA-N 1 1 450.623 4.751 20 0 JJADMO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC001460081659 1067549027 /nfs/dbraw/zinc/54/90/27/1067549027.db2.gz PUTLVFPZONEHSD-IBGZPJMESA-N 1 1 458.427 4.857 20 0 JJADMO O=C(CCCc1ccccc1)N[C@@H]1CCC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC001460083767 1067549467 /nfs/dbraw/zinc/54/94/67/1067549467.db2.gz VZELAMQVENHJTA-JOCHJYFZSA-N 1 1 452.986 4.536 20 0 JJADMO CC(C)(C)OC(=O)NCC[N@H+](CCc1ccccc1)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC001460089863 1067551672 /nfs/dbraw/zinc/55/16/72/1067551672.db2.gz YROFKWWGJLTTTC-UHFFFAOYSA-N 1 1 458.509 4.584 20 0 JJADMO CC(C)(C)OC(=O)NCC[N@@H+](CCc1ccccc1)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC001460089863 1067551677 /nfs/dbraw/zinc/55/16/77/1067551677.db2.gz YROFKWWGJLTTTC-UHFFFAOYSA-N 1 1 458.509 4.584 20 0 JJADMO CC[C@@H](OC1CCCCC1)C(=O)Nc1cc(Br)ccc1N1CC[N@@H+](C)C[C@@H]1C ZINC001460094327 1067553147 /nfs/dbraw/zinc/55/31/47/1067553147.db2.gz QMHIIOOPIPGDPX-HRAATJIYSA-N 1 1 452.437 4.656 20 0 JJADMO COc1ccc(/C(C)=C/C(=O)Nc2cc(Br)ccc2N2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC001460095734 1067553535 /nfs/dbraw/zinc/55/35/35/1067553535.db2.gz XQMIWSQPXOYQEB-MAUBAPBLSA-N 1 1 458.400 4.640 20 0 JJADMO C[C@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1ccc(F)c2cccnc12 ZINC001460097498 1067554302 /nfs/dbraw/zinc/55/43/02/1067554302.db2.gz VQQFMZJKDPGSSD-AWEZNQCLSA-N 1 1 457.347 4.529 20 0 JJADMO CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cc(Br)ccc1N1CC[N@@H+](C)C[C@@H]1C ZINC001460097443 1067554560 /nfs/dbraw/zinc/55/45/60/1067554560.db2.gz VKIWODPGJPLRHJ-ORYQWCPZSA-N 1 1 456.428 4.894 20 0 JJADMO C[C@@]1(c2ccccc2)CCC[N@@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)CC1 ZINC001460098629 1067554902 /nfs/dbraw/zinc/55/49/02/1067554902.db2.gz JHQUTUIHLANSRZ-HSZRJFAPSA-N 1 1 457.500 4.668 20 0 JJADMO CC(C)(C)c1nnc(NC(=O)C[NH2+][C@@H](Cc2ccccc2)c2nc3ccccc3s2)s1 ZINC001460103610 1067555440 /nfs/dbraw/zinc/55/54/40/1067555440.db2.gz PAMOQUNLLWCVSC-KRWDZBQOSA-N 1 1 451.621 4.957 20 0 JJADMO C[C@H]1CN(C(=O)c2cc(Br)ccc2OC(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001460115905 1067558387 /nfs/dbraw/zinc/55/83/87/1067558387.db2.gz AYRXIZZTZAOSPQ-OAHLLOKOSA-N 1 1 453.327 4.645 20 0 JJADMO CC[C@H]1C[N@@H+](CC)CCN1CC(=O)N(Cc1ccccc1)c1nc2c(ccc(C)c2C)s1 ZINC001460136380 1067562378 /nfs/dbraw/zinc/56/23/78/1067562378.db2.gz AMOUZXWZTFHEQJ-QFIPXVFZSA-N 1 1 450.652 4.862 20 0 JJADMO O=C1[C@@H]([N@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)CCN1c1ccc(Cl)c(F)c1 ZINC001460137617 1067562893 /nfs/dbraw/zinc/56/28/93/1067562893.db2.gz HISSHWMGDKCUMY-QRWLVFNGSA-N 1 1 451.767 4.912 20 0 JJADMO COc1ccc([C@@H](O)C2CC[NH+](CC(=O)Nc3cccc(-c4csc(C)n4)c3)CC2)cc1 ZINC001460152029 1067566087 /nfs/dbraw/zinc/56/60/87/1067566087.db2.gz SLYWZJJLLQMJHM-RUZDIDTESA-N 1 1 451.592 4.511 20 0 JJADMO CCOc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001460155831 1067566515 /nfs/dbraw/zinc/56/65/15/1067566515.db2.gz BRMILBCSABPLIP-PWRODBHTSA-N 1 1 459.631 4.771 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(Cl)c(F)c3)C2)C1 ZINC001460155687 1067566541 /nfs/dbraw/zinc/56/65/41/1067566541.db2.gz AWHHSHIFNXPCNC-IAGOWNOFSA-N 1 1 453.986 4.777 20 0 JJADMO Cc1ccccc1C[N@H+](Cc1ccccn1)C[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001460158468 1067567293 /nfs/dbraw/zinc/56/72/93/1067567293.db2.gz PNCLIJVCEDLHJM-SQHAQQRYSA-N 1 1 451.611 4.808 20 0 JJADMO CCc1ccc([C@H]2CC[N@@H+](CC(=O)Nc3ccccc3C(=O)NCc3ccc(C)cc3)C2)cc1 ZINC001460165450 1067568320 /nfs/dbraw/zinc/56/83/20/1067568320.db2.gz KPOFOABNZBHBSQ-VWLOTQADSA-N 1 1 455.602 4.915 20 0 JJADMO C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@@H+](C)CCc1cccc(Br)c1 ZINC001460168427 1067568733 /nfs/dbraw/zinc/56/87/33/1067568733.db2.gz DIKGXIPNIUDPCA-INIZCTEOSA-N 1 1 453.808 4.503 20 0 JJADMO Cc1nc(C(F)(F)F)c(C[NH2+][C@@H](C)c2ccc(Br)cc2OCCCO)s1 ZINC001460171236 1067569567 /nfs/dbraw/zinc/56/95/67/1067569567.db2.gz IXAKMVONRGMXBV-JTQLQIEISA-N 1 1 453.324 4.845 20 0 JJADMO Cc1ccc(C2=NN(C(=O)C[NH2+][C@H](CCO)c3ccc(Cl)cc3)[C@@H](c3ccco3)C2)cc1 ZINC001460172543 1067570200 /nfs/dbraw/zinc/57/02/00/1067570200.db2.gz ONVFYKJRAQCJGU-FYYLOGMGSA-N 1 1 451.954 4.632 20 0 JJADMO COC(=O)c1cc2cc(C[N@@H+](CCc3ccc(Cl)cc3)C[C@H](O)C(F)(F)F)ccc2o1 ZINC001460174424 1067570535 /nfs/dbraw/zinc/57/05/35/1067570535.db2.gz IYVAPGDADNKGGM-FQEVSTJZSA-N 1 1 455.860 4.841 20 0 JJADMO O[C@@H](c1ccc(Br)cc1)[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC001460182530 1067573146 /nfs/dbraw/zinc/57/31/46/1067573146.db2.gz AKEUWEQQYOEQLJ-AHRSYUTCSA-N 1 1 458.318 4.947 20 0 JJADMO C[N@H+](CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001460196265 1067576568 /nfs/dbraw/zinc/57/65/68/1067576568.db2.gz KQETZDZLCHLYKV-VXKWHMMOSA-N 1 1 453.583 4.989 20 0 JJADMO C[N@@H+](CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001460196265 1067576574 /nfs/dbraw/zinc/57/65/74/1067576574.db2.gz KQETZDZLCHLYKV-VXKWHMMOSA-N 1 1 453.583 4.989 20 0 JJADMO C[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001460199180 1067577612 /nfs/dbraw/zinc/57/76/12/1067577612.db2.gz XKQRQTKDZHPQKH-QZTJIDSGSA-N 1 1 453.327 4.844 20 0 JJADMO C[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001460199180 1067577617 /nfs/dbraw/zinc/57/76/17/1067577617.db2.gz XKQRQTKDZHPQKH-QZTJIDSGSA-N 1 1 453.327 4.844 20 0 JJADMO CC(=O)c1cccc(NC(=O)[C@@H](C)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)c1 ZINC001460210098 1067579944 /nfs/dbraw/zinc/57/99/44/1067579944.db2.gz DOCZNIOZMMPFDH-PGMDNKBISA-N 1 1 459.565 4.613 20 0 JJADMO CC(=O)c1cccc(NC(=O)[C@@H](C)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)c1 ZINC001460210098 1067579950 /nfs/dbraw/zinc/57/99/50/1067579950.db2.gz DOCZNIOZMMPFDH-PGMDNKBISA-N 1 1 459.565 4.613 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCC[N@H+]2CCC(=O)N2CCCc3ccccc32)C1 ZINC001460215908 1067581531 /nfs/dbraw/zinc/58/15/31/1067581531.db2.gz RRBBFYSWWNKIAT-PKTZIBPZSA-N 1 1 455.643 4.858 20 0 JJADMO CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)C[N@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC001460222117 1067583056 /nfs/dbraw/zinc/58/30/56/1067583056.db2.gz USFXNOWZFBQFRB-INIZCTEOSA-N 1 1 457.571 4.730 20 0 JJADMO CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)C[N@@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC001460222117 1067583062 /nfs/dbraw/zinc/58/30/62/1067583062.db2.gz USFXNOWZFBQFRB-INIZCTEOSA-N 1 1 457.571 4.730 20 0 JJADMO COC(=O)[C@@H](N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccccc1Cl ZINC001460220736 1067583225 /nfs/dbraw/zinc/58/32/25/1067583225.db2.gz AEMABEDAORDGFH-CAOCKLPOSA-N 1 1 452.957 4.951 20 0 JJADMO C[C@@H]1[C@@H](CO)CCC[N@@H+]1CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC001460225903 1067583757 /nfs/dbraw/zinc/58/37/57/1067583757.db2.gz IGWNYXKVYXWOKV-WIYYLYMNSA-N 1 1 453.583 4.575 20 0 JJADMO C[C@@H]1[C@@H](CO)CCC[N@H+]1CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC001460225903 1067583764 /nfs/dbraw/zinc/58/37/64/1067583764.db2.gz IGWNYXKVYXWOKV-WIYYLYMNSA-N 1 1 453.583 4.575 20 0 JJADMO C[C@H]1[C@H](CO)CCC[N@@H+]1CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC001460225898 1067583881 /nfs/dbraw/zinc/58/38/81/1067583881.db2.gz IGWNYXKVYXWOKV-RXVVDRJESA-N 1 1 453.583 4.575 20 0 JJADMO C[C@H]1[C@H](CO)CCC[N@H+]1CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC001460225898 1067583889 /nfs/dbraw/zinc/58/38/89/1067583889.db2.gz IGWNYXKVYXWOKV-RXVVDRJESA-N 1 1 453.583 4.575 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2Cl)C[C@H]1c1cccc(F)c1 ZINC001460233694 1067586223 /nfs/dbraw/zinc/58/62/23/1067586223.db2.gz MKKHDDYKTVYPQL-GHTZIAJQSA-N 1 1 461.965 4.800 20 0 JJADMO C[N@@H+](C[C@H](O)c1cccc(Br)c1)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC001460237365 1067587412 /nfs/dbraw/zinc/58/74/12/1067587412.db2.gz ALXXHTYYLRGTNJ-ZWOKBUDYSA-N 1 1 455.437 4.745 20 0 JJADMO C[C@H](NC(=O)[C@H](C)[N@H+](C)C[C@@H](O)c1cccc(Br)c1)c1ccc2ccccc2c1 ZINC001460238517 1067587656 /nfs/dbraw/zinc/58/76/56/1067587656.db2.gz QLGPIEKMKVVADJ-HKARXFIJSA-N 1 1 455.396 4.833 20 0 JJADMO C[C@H](NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)c1cccc(Br)c1)c1ccc2ccccc2c1 ZINC001460238517 1067587665 /nfs/dbraw/zinc/58/76/65/1067587665.db2.gz QLGPIEKMKVVADJ-HKARXFIJSA-N 1 1 455.396 4.833 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C[C@H]1c1ccccc1F ZINC001460237726 1067587773 /nfs/dbraw/zinc/58/77/73/1067587773.db2.gz BRWSYPYXOUCGMX-CEWLAPEOSA-N 1 1 468.491 4.871 20 0 JJADMO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1ncc(Br)cc1Cl)C(C)C ZINC001460237701 1067587904 /nfs/dbraw/zinc/58/79/04/1067587904.db2.gz BCUBUEBMHDLTNL-HNNXBMFYSA-N 1 1 459.837 4.870 20 0 JJADMO CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ncc(Br)cc1Cl)C(C)C ZINC001460237701 1067587912 /nfs/dbraw/zinc/58/79/12/1067587912.db2.gz BCUBUEBMHDLTNL-HNNXBMFYSA-N 1 1 459.837 4.870 20 0 JJADMO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC001460238521 1067588307 /nfs/dbraw/zinc/58/83/07/1067588307.db2.gz QLGPIEKMKVVADJ-YGKZAACZSA-N 1 1 455.396 4.833 20 0 JJADMO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC001460238521 1067588312 /nfs/dbraw/zinc/58/83/12/1067588312.db2.gz QLGPIEKMKVVADJ-YGKZAACZSA-N 1 1 455.396 4.833 20 0 JJADMO C[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001460240530 1067589048 /nfs/dbraw/zinc/58/90/48/1067589048.db2.gz LTMXLYJYNHGKRD-IAGOWNOFSA-N 1 1 456.562 4.622 20 0 JJADMO CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460242995 1067589556 /nfs/dbraw/zinc/58/95/56/1067589556.db2.gz VMKKOXVBMVNZRY-QPTUXGOLSA-N 1 1 469.601 4.868 20 0 JJADMO CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460242995 1067589559 /nfs/dbraw/zinc/58/95/59/1067589559.db2.gz VMKKOXVBMVNZRY-QPTUXGOLSA-N 1 1 469.601 4.868 20 0 JJADMO OCC1([C@@H]([NH2+]Cc2ncc(-c3ccccc3Br)o2)c2ccccc2)CCOCC1 ZINC001460257076 1067592488 /nfs/dbraw/zinc/59/24/88/1067592488.db2.gz ZBJYRRGSNJVBEI-QFIPXVFZSA-N 1 1 457.368 4.724 20 0 JJADMO CCC1(CC)CN(c2nnc(-c3cccc(OC)c3)n2CCC[N@H+]2CCCO[C@H](C)C2)CCS1 ZINC001546115096 1067592584 /nfs/dbraw/zinc/59/25/84/1067592584.db2.gz RQWQALNYAWATKB-OAQYLSRUSA-N 1 1 487.714 4.567 20 0 JJADMO C[C@@H]1C[C@@H](C)[N@@H+](CCc2cc(Cl)c3c(c2)OCCCO3)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001460269623 1067594251 /nfs/dbraw/zinc/59/42/51/1067594251.db2.gz GJBMPBXBYPYULM-LMMKCTJWSA-N 1 1 453.023 4.915 20 0 JJADMO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C[C@H]1c1ccc(Br)cc1 ZINC001460273028 1067594877 /nfs/dbraw/zinc/59/48/77/1067594877.db2.gz AFQREFRYMWLCSF-SCTDSRPQSA-N 1 1 473.194 4.678 20 0 JJADMO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1Br ZINC001460273609 1067595336 /nfs/dbraw/zinc/59/53/36/1067595336.db2.gz YESHYSLEWOFJHS-YJBOKZPZSA-N 1 1 451.355 4.954 20 0 JJADMO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CCC[C@H]1Cc1ccccc1Br ZINC001460273609 1067595342 /nfs/dbraw/zinc/59/53/42/1067595342.db2.gz YESHYSLEWOFJHS-YJBOKZPZSA-N 1 1 451.355 4.954 20 0 JJADMO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C ZINC001460274293 1067595713 /nfs/dbraw/zinc/59/57/13/1067595713.db2.gz XCNRRTJEVQRXPP-XODKDNOYSA-N 1 1 457.615 4.823 20 0 JJADMO C[C@@H]1CC2(C[N@H+]1C[C@@H](O)c1ccccc1Br)CCN(C(=O)OC(C)(C)C)CC2 ZINC001460279179 1067596704 /nfs/dbraw/zinc/59/67/04/1067596704.db2.gz YCQSPBDXJZFBDT-VQIMIIECSA-N 1 1 453.421 4.594 20 0 JJADMO COc1cc(OC)c(NC(=O)CC[N@H+]2CCCC[C@H]2CCC(=O)OC(C)(C)C)cc1Cl ZINC001460280832 1067597515 /nfs/dbraw/zinc/59/75/15/1067597515.db2.gz XTNNFLJRNNRKFB-INIZCTEOSA-N 1 1 454.995 4.662 20 0 JJADMO CC(C)(C)OC(=O)N1CCc2c(C[N@H+]3CCC[C@@H](O)[C@@H]3CCc3ccccc3)cccc2C1 ZINC001460295328 1067600914 /nfs/dbraw/zinc/60/09/14/1067600914.db2.gz KNFXNIHHKJOEBJ-IZZNHLLZSA-N 1 1 450.623 4.938 20 0 JJADMO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c3cccnc3)C1)C[C@@H](C)CC2 ZINC001460301162 1067601857 /nfs/dbraw/zinc/60/18/57/1067601857.db2.gz BRAKJHKMFHXETQ-LNLFQRSKSA-N 1 1 455.624 4.651 20 0 JJADMO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c3cccnc3)C1)C[C@@H](C)CC2 ZINC001460301162 1067601860 /nfs/dbraw/zinc/60/18/60/1067601860.db2.gz BRAKJHKMFHXETQ-LNLFQRSKSA-N 1 1 455.624 4.651 20 0 JJADMO Cc1ccccc1NC(=O)CC[N@@H+](Cc1ccccn1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460306200 1067603867 /nfs/dbraw/zinc/60/38/67/1067603867.db2.gz UBWSDMGERKABAO-UHFFFAOYSA-N 1 1 452.599 4.620 20 0 JJADMO CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)cc1 ZINC001460308854 1067604780 /nfs/dbraw/zinc/60/47/80/1067604780.db2.gz UPIOMMMGORDZAV-UHFFFAOYSA-N 1 1 456.590 4.700 20 0 JJADMO COC(=O)[C@@H]1C[N@@H+](CCOc2ccccc2C(=O)OC(C)(C)C)C[C@H]1c1ccc(Cl)cc1 ZINC001460314443 1067605515 /nfs/dbraw/zinc/60/55/15/1067605515.db2.gz SXJLTOIXDMZOQQ-LEWJYISDSA-N 1 1 459.970 4.563 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2C[C@H](O)c2cccc3ccccc32)C1 ZINC001460318644 1067606784 /nfs/dbraw/zinc/60/67/84/1067606784.db2.gz SHJVHSKHKIABPR-AKAGGGOCSA-N 1 1 454.611 4.800 20 0 JJADMO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001460343305 1067612906 /nfs/dbraw/zinc/61/29/06/1067612906.db2.gz ZGMSFZKEMJREQR-CVDCTZTESA-N 1 1 458.647 4.549 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ncc(-c4ccccc4F)o3)C2)C1 ZINC001460360606 1067617952 /nfs/dbraw/zinc/61/79/52/1067617952.db2.gz CWMKWJSCJYESRH-WAOWUJCRSA-N 1 1 459.562 4.765 20 0 JJADMO Cc1cc(I)ccc1NC(=O)C[N@@H+](C)[C@@H](C)CSc1ccccc1 ZINC001460370799 1067620369 /nfs/dbraw/zinc/62/03/69/1067620369.db2.gz YIPZTORDINKEGN-HNNXBMFYSA-N 1 1 454.377 4.651 20 0 JJADMO Cc1cc(I)ccc1NC(=O)C[N@H+](C)[C@@H](C)CSc1ccccc1 ZINC001460370799 1067620377 /nfs/dbraw/zinc/62/03/77/1067620377.db2.gz YIPZTORDINKEGN-HNNXBMFYSA-N 1 1 454.377 4.651 20 0 JJADMO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2nc(Cc3ccccc3)no2)cc1 ZINC001460387260 1067623816 /nfs/dbraw/zinc/62/38/16/1067623816.db2.gz BNZCESUOYJLTNE-GOTSBHOMSA-N 1 1 478.593 4.552 20 0 JJADMO C[C@@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1)c1ncc(Br)cn1 ZINC001460389446 1067624508 /nfs/dbraw/zinc/62/45/08/1067624508.db2.gz KPFPCRBJVHHALG-NIKGAXFTSA-N 1 1 479.394 4.822 20 0 JJADMO CC(C)(C)OC(=O)C1(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCSCC1 ZINC001460398430 1067626872 /nfs/dbraw/zinc/62/68/72/1067626872.db2.gz MWNVWVLSXAOPDZ-FRIKZZABSA-N 1 1 458.668 4.543 20 0 JJADMO C[C@]12CC[N@H+](C[C@H](O)c3ccc(Cl)c(Cl)c3)C[C@H]1C2(Br)Br ZINC001460414071 1067630747 /nfs/dbraw/zinc/63/07/47/1067630747.db2.gz DFCCGGOSRZXZJA-MJBXVCDLSA-N 1 1 458.021 4.855 20 0 JJADMO C[C@]12CC[N@@H+](C[C@H](O)c3ccc(Cl)c(Cl)c3)C[C@H]1C2(Br)Br ZINC001460414071 1067630749 /nfs/dbraw/zinc/63/07/49/1067630749.db2.gz DFCCGGOSRZXZJA-MJBXVCDLSA-N 1 1 458.021 4.855 20 0 JJADMO CC[C@@]1(Cc2ccccc2)CCC[N@H+]1CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC001460413825 1067630761 /nfs/dbraw/zinc/63/07/61/1067630761.db2.gz XUEUCYGIYROPEX-URXFXBBRSA-N 1 1 459.512 4.780 20 0 JJADMO C[C@]12CC[N@H+](CCOc3ccccc3Br)C[C@H]1C2(Br)Br ZINC001460418683 1067631715 /nfs/dbraw/zinc/63/17/15/1067631715.db2.gz QMFJZRAQTZBJAB-KGLIPLIRSA-N 1 1 468.027 4.656 20 0 JJADMO C[C@]12CC[N@@H+](CCOc3ccccc3Br)C[C@H]1C2(Br)Br ZINC001460418683 1067631717 /nfs/dbraw/zinc/63/17/17/1067631717.db2.gz QMFJZRAQTZBJAB-KGLIPLIRSA-N 1 1 468.027 4.656 20 0 JJADMO CC(C)[C@H]1CN([C@@H]2CCc3cc(Br)ccc3NC2=O)CC[N@H+]1Cc1ccccc1 ZINC001460428466 1067633209 /nfs/dbraw/zinc/63/32/09/1067633209.db2.gz GXSWQJKCNABOQR-DHIUTWEWSA-N 1 1 456.428 4.545 20 0 JJADMO CC[N@@H+](C/C=C/c1ccc(Cl)cc1)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460441946 1067635802 /nfs/dbraw/zinc/63/58/02/1067635802.db2.gz DHCUEQCGGQQNRX-IHHMQQGQSA-N 1 1 450.023 4.533 20 0 JJADMO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC001460491390 1067644895 /nfs/dbraw/zinc/64/48/95/1067644895.db2.gz STNZOZOQVNJAPK-INIZCTEOSA-N 1 1 453.368 4.662 20 0 JJADMO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC001460491390 1067644900 /nfs/dbraw/zinc/64/49/00/1067644900.db2.gz STNZOZOQVNJAPK-INIZCTEOSA-N 1 1 453.368 4.662 20 0 JJADMO CC(C)C[N@@H+](CC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1cccc(C(F)(F)F)c1 ZINC001460510831 1067646590 /nfs/dbraw/zinc/64/65/90/1067646590.db2.gz BWINFCHQQXLVQB-UHFFFAOYSA-N 1 1 451.508 4.651 20 0 JJADMO Cc1cc(NC(=O)CN2CC(C)(C)[N@@H+](Cc3ccccc3)CC2(C)C)n(-c2ccc(C)cc2)n1 ZINC001460524382 1067649599 /nfs/dbraw/zinc/64/95/99/1067649599.db2.gz RYORTRQNNYQWDS-UHFFFAOYSA-N 1 1 459.638 4.803 20 0 JJADMO CC(C)Oc1ccc(CCNC(=O)CN2CC(C)(C)[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC001460524324 1067649614 /nfs/dbraw/zinc/64/96/14/1067649614.db2.gz QURBQCIADAWSNU-UHFFFAOYSA-N 1 1 451.655 4.508 20 0 JJADMO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1Cc2cnn(-c3ccccc3)c2CC(C)(C)C1 ZINC001460535108 1067652559 /nfs/dbraw/zinc/65/25/59/1067652559.db2.gz UXQBRHYGBBYBRJ-UHFFFAOYSA-N 1 1 452.986 4.947 20 0 JJADMO CCOc1ccc([C@H](C)NC(=O)C[NH2+][C@H](C)c2ccc(C(F)(F)F)nc2Cl)cc1OC ZINC001460534864 1067652662 /nfs/dbraw/zinc/65/26/62/1067652662.db2.gz SSFSUSASBCPJDF-QWHCGFSZSA-N 1 1 459.896 4.689 20 0 JJADMO Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2Cc3cnn(-c4ccccc4F)c3CC(C)(C)C2)c1 ZINC001460536868 1067653149 /nfs/dbraw/zinc/65/31/49/1067653149.db2.gz AMGHCMUVVADNAE-LJQANCHMSA-N 1 1 457.977 4.797 20 0 JJADMO CC(C)([NH2+]CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)c1nc2ccccc2s1 ZINC001460536770 1067653251 /nfs/dbraw/zinc/65/32/51/1067653251.db2.gz OGMPIUCNUJNFRI-UHFFFAOYSA-N 1 1 458.587 4.690 20 0 JJADMO COC(=O)/C=C/c1ccc(OCC[N@H+]2CCC[C@@H]2C(O)(c2ccccc2)c2ccccc2)cc1 ZINC001460572182 1067658221 /nfs/dbraw/zinc/65/82/21/1067658221.db2.gz XCBACTMKOQUSHY-IHPPKGGTSA-N 1 1 457.570 4.652 20 0 JJADMO COc1ccc([C@@H]2CC[N@H+]([C@@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)C2)cc1F ZINC001460570475 1067658231 /nfs/dbraw/zinc/65/82/31/1067658231.db2.gz OUBUQMNZOGOGHV-WIYYLYMNSA-N 1 1 450.476 4.834 20 0 JJADMO CCC1(CC)CN(c2nnc([C@H]3CCOC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCS1 ZINC001546117396 1067659158 /nfs/dbraw/zinc/65/91/58/1067659158.db2.gz FGWKCOPTHGGVPC-HBMCJLEFSA-N 1 1 463.736 4.651 20 0 JJADMO CC(C)Oc1ccc(-c2ccc(NC(=O)C3CC[NH+](Cc4nccn4C)CC3)c(F)c2)cc1 ZINC001460584908 1067662664 /nfs/dbraw/zinc/66/26/64/1067662664.db2.gz PIGXFMHCVKNVSS-UHFFFAOYSA-N 1 1 450.558 4.864 20 0 JJADMO C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001460633865 1067679596 /nfs/dbraw/zinc/67/95/96/1067679596.db2.gz NRDWTWDHLIWFIM-DZGCQCFKSA-N 1 1 458.386 4.869 20 0 JJADMO C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001460633865 1067679601 /nfs/dbraw/zinc/67/96/01/1067679601.db2.gz NRDWTWDHLIWFIM-DZGCQCFKSA-N 1 1 458.386 4.869 20 0 JJADMO C[C@]1(Cc2ccc(Cl)c(F)c2)CCC[N@H+]1CCC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC001460638917 1067681589 /nfs/dbraw/zinc/68/15/89/1067681589.db2.gz PUIJVDZPHISHHJ-RUZDIDTESA-N 1 1 457.977 4.797 20 0 JJADMO C[C@]1(Cc2ccc(F)c(C(F)(F)F)c2)CCC[N@H+]1CC(=O)NCCOc1cccc(F)c1 ZINC001460642061 1067682761 /nfs/dbraw/zinc/68/27/61/1067682761.db2.gz BTHPMPJZHMLBMZ-JOCHJYFZSA-N 1 1 456.455 4.576 20 0 JJADMO COc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@@]2(C)Cc2ccc(F)c(F)c2)c(OC)c1 ZINC001460647529 1067685216 /nfs/dbraw/zinc/68/52/16/1067685216.db2.gz ACEYUVUWDQNDRO-BVAGGSTKSA-N 1 1 458.549 4.743 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](CCOc3ccc(F)c(Cl)c3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001460649806 1067686767 /nfs/dbraw/zinc/68/67/67/1067686767.db2.gz HHRJGIROPSZUIS-SIKLNZKXSA-N 1 1 464.965 4.859 20 0 JJADMO Cn1cc([C@H]2C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc3cccc(SC(F)(F)F)c3)C2)cn1 ZINC001460654872 1067689381 /nfs/dbraw/zinc/68/93/81/1067689381.db2.gz GYKMFBWMVDVSQL-IRXDYDNUSA-N 1 1 455.546 4.979 20 0 JJADMO C[C@@]1(Cc2ccc(F)c(F)c2)CCC[N@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC001460655995 1067689920 /nfs/dbraw/zinc/68/99/20/1067689920.db2.gz VHVCGPNNHGWXFW-UTKZUKDTSA-N 1 1 458.318 4.703 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H](CC[N@H+]2CCC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)C1 ZINC001460664168 1067692552 /nfs/dbraw/zinc/69/25/52/1067692552.db2.gz GQYSEZGLZQAOII-QHAWAJNXSA-N 1 1 451.652 4.745 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC001460664426 1067693032 /nfs/dbraw/zinc/69/30/32/1067693032.db2.gz IJVODHIMIXNREA-VQIMIIECSA-N 1 1 455.521 4.755 20 0 JJADMO CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC001460671830 1067695017 /nfs/dbraw/zinc/69/50/17/1067695017.db2.gz SOJKHUPJXPAZQJ-FYYLOGMGSA-N 1 1 456.428 4.689 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CC[N@@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC001460680178 1067699143 /nfs/dbraw/zinc/69/91/43/1067699143.db2.gz SIHYISLNOKNDKJ-QFIPXVFZSA-N 1 1 457.537 4.907 20 0 JJADMO COc1ccc([C@H](CNC(=O)OC(C)(C)C)C[N@@H+]2Cc3ccccc3N3CCC[C@@H]3C2)cc1 ZINC001460693014 1067703299 /nfs/dbraw/zinc/70/32/99/1067703299.db2.gz RUAYQIPCGIKQBH-DHIUTWEWSA-N 1 1 451.611 4.788 20 0 JJADMO COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C[C@@H](O)c2cc3ccccc3o2)cc1 ZINC001460704785 1067705247 /nfs/dbraw/zinc/70/52/47/1067705247.db2.gz KBWNRAIVXGYIDI-FCHUYYIVSA-N 1 1 452.551 4.769 20 0 JJADMO COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C[C@@H](O)c2cc3ccccc3o2)cc1 ZINC001460704785 1067705254 /nfs/dbraw/zinc/70/52/54/1067705254.db2.gz KBWNRAIVXGYIDI-FCHUYYIVSA-N 1 1 452.551 4.769 20 0 JJADMO COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2CCN2CCCc3ccccc32)c1 ZINC001460704100 1067705342 /nfs/dbraw/zinc/70/53/42/1067705342.db2.gz BGVYPHFXEPJLPM-VWLOTQADSA-N 1 1 451.611 4.742 20 0 JJADMO COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2CCN2CCCc3ccccc32)c1 ZINC001460704100 1067705344 /nfs/dbraw/zinc/70/53/44/1067705344.db2.gz BGVYPHFXEPJLPM-VWLOTQADSA-N 1 1 451.611 4.742 20 0 JJADMO COC(=O)c1scc(C)c1NC(=O)[C@H](C)[N@@H+](C[C@H](OC)c1ccc(Cl)cc1)C(C)C ZINC001460713941 1067707243 /nfs/dbraw/zinc/70/72/43/1067707243.db2.gz USFFNROARTWBHV-YJBOKZPZSA-N 1 1 453.004 4.922 20 0 JJADMO C[C@H]1CCc2c(sc3nc(CC[N@H+](C)Cc4cscc4Br)nc(N)c23)C1 ZINC001460715693 1067707643 /nfs/dbraw/zinc/70/76/43/1067707643.db2.gz IKHFOWLGZJETQP-NSHDSACASA-N 1 1 451.459 4.897 20 0 JJADMO C[C@H]1CCc2c(sc3nc(CC[N@@H+](C)Cc4cscc4Br)nc(N)c23)C1 ZINC001460715693 1067707649 /nfs/dbraw/zinc/70/76/49/1067707649.db2.gz IKHFOWLGZJETQP-NSHDSACASA-N 1 1 451.459 4.897 20 0 JJADMO CC1(C)[C@@H](c2ccc(F)c(F)c2)CC[N@@H+]1CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC001460715197 1067707716 /nfs/dbraw/zinc/70/77/16/1067707716.db2.gz AYBIPXBDLAMJFL-HXUWFJFHSA-N 1 1 455.549 4.844 20 0 JJADMO CC1(C)[C@@H](c2ccc(F)c(F)c2)CC[N@H+]1CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC001460715197 1067707726 /nfs/dbraw/zinc/70/77/26/1067707726.db2.gz AYBIPXBDLAMJFL-HXUWFJFHSA-N 1 1 455.549 4.844 20 0 JJADMO C[C@H]1NC(=O)N(CC[N@H+](C)Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2Cl)C1=O ZINC001460717339 1067708097 /nfs/dbraw/zinc/70/80/97/1067708097.db2.gz IWBYSNHKWOBCPY-GFCCVEGCSA-N 1 1 456.757 4.811 20 0 JJADMO C[C@H]1NC(=O)N(CC[N@@H+](C)Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2Cl)C1=O ZINC001460717339 1067708110 /nfs/dbraw/zinc/70/81/10/1067708110.db2.gz IWBYSNHKWOBCPY-GFCCVEGCSA-N 1 1 456.757 4.811 20 0 JJADMO C[N@@H+](Cc1ccccc1Oc1ccc(F)c(Cl)c1)C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC001460719461 1067708740 /nfs/dbraw/zinc/70/87/40/1067708740.db2.gz PTOXCDIUBRYUOA-QHCPKHFHSA-N 1 1 452.954 4.979 20 0 JJADMO COc1cccc([C@@H]2CC[N@@H+](Cc3nc(-c4cc(OC)c(OC)c(OC)c4)no3)C2(C)C)c1 ZINC001460721417 1067709365 /nfs/dbraw/zinc/70/93/65/1067709365.db2.gz VEFGVOHSCUAEKN-IBGZPJMESA-N 1 1 453.539 4.539 20 0 JJADMO CC[N@H+](Cc1ccc(Cl)cc1Oc1ccc(Cl)cc1)C[C@H](O)CC1(O)CCOCC1 ZINC001460738882 1067712514 /nfs/dbraw/zinc/71/25/14/1067712514.db2.gz RXMLDFZMOHPBDX-HXUWFJFHSA-N 1 1 454.394 4.900 20 0 JJADMO Cc1cc2oc(=O)cc(C[N@@H+]3C[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C3)c2cc1C ZINC001460750883 1067716034 /nfs/dbraw/zinc/71/60/34/1067716034.db2.gz XNBLIIBUTMSTPN-WMZOPIPTSA-N 1 1 454.489 4.545 20 0 JJADMO CC(C)(C)OC(=O)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)C(C)(C)C ZINC001460759061 1067718113 /nfs/dbraw/zinc/71/81/13/1067718113.db2.gz DZAOSXKDFJTAJL-RBZQAINGSA-N 1 1 468.613 4.914 20 0 JJADMO COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C[N@@H+](CCCSc1ccccc1Cl)C2 ZINC001460768712 1067720218 /nfs/dbraw/zinc/72/02/18/1067720218.db2.gz COPBDEBBCNZNNX-SAHWJRBASA-N 1 1 469.047 4.601 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCC[N@@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC001460776735 1067721542 /nfs/dbraw/zinc/72/15/42/1067721542.db2.gz ADEAQOPVRSNPKY-RUZDIDTESA-N 1 1 451.652 4.747 20 0 JJADMO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460778767 1067721557 /nfs/dbraw/zinc/72/15/57/1067721557.db2.gz PIFJLGYSXBIXRR-BXKMTCNYSA-N 1 1 458.628 4.736 20 0 JJADMO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460778767 1067721564 /nfs/dbraw/zinc/72/15/64/1067721564.db2.gz PIFJLGYSXBIXRR-BXKMTCNYSA-N 1 1 458.628 4.736 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCC[N@@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC001460776737 1067721733 /nfs/dbraw/zinc/72/17/33/1067721733.db2.gz ADEAQOPVRSNPKY-VWLOTQADSA-N 1 1 451.652 4.747 20 0 JJADMO Cc1csc(C[C@H]2CCC[N@H+](CC(=O)Nc3ccc(NC(=O)c4cccs4)cc3)C2)n1 ZINC001460793329 1067724348 /nfs/dbraw/zinc/72/43/48/1067724348.db2.gz LHRKIAAQQVARMX-QGZVFWFLSA-N 1 1 454.621 4.659 20 0 JJADMO Cc1csc(C[C@H]2CCC[N@@H+](CC(=O)Nc3ccc(NC(=O)c4cccs4)cc3)C2)n1 ZINC001460793329 1067724358 /nfs/dbraw/zinc/72/43/58/1067724358.db2.gz LHRKIAAQQVARMX-QGZVFWFLSA-N 1 1 454.621 4.659 20 0 JJADMO Cc1csc(C[C@@H]2CCC[N@H+](CC(=O)Nc3ccc(NC(=O)c4cccs4)cc3)C2)n1 ZINC001460793325 1067724484 /nfs/dbraw/zinc/72/44/84/1067724484.db2.gz LHRKIAAQQVARMX-KRWDZBQOSA-N 1 1 454.621 4.659 20 0 JJADMO Cc1csc(C[C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(NC(=O)c4cccs4)cc3)C2)n1 ZINC001460793325 1067724491 /nfs/dbraw/zinc/72/44/91/1067724491.db2.gz LHRKIAAQQVARMX-KRWDZBQOSA-N 1 1 454.621 4.659 20 0 JJADMO C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)[NH+]1CCC(CCc2ccccc2)CC1 ZINC001460795660 1067725025 /nfs/dbraw/zinc/72/50/25/1067725025.db2.gz YHTUXABVGDPDRO-QGZVFWFLSA-N 1 1 459.512 4.724 20 0 JJADMO COc1cc(OC)c(NC(=O)CC[N@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)cc1Cl ZINC001460796378 1067725360 /nfs/dbraw/zinc/72/53/60/1067725360.db2.gz HCJQMFYUISSOJY-AWEZNQCLSA-N 1 1 450.004 4.511 20 0 JJADMO Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C3)cc2)n1 ZINC001460798594 1067726202 /nfs/dbraw/zinc/72/62/02/1067726202.db2.gz YNKBLNWQYIGYBS-WOJBJXKFSA-N 1 1 452.521 4.767 20 0 JJADMO Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C3)cc2)n1 ZINC001460798594 1067726206 /nfs/dbraw/zinc/72/62/06/1067726206.db2.gz YNKBLNWQYIGYBS-WOJBJXKFSA-N 1 1 452.521 4.767 20 0 JJADMO C[N@H+](Cc1cc(F)ccc1Oc1ccc(Br)cc1)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC001460800030 1067726659 /nfs/dbraw/zinc/72/66/59/1067726659.db2.gz HEXYYFSZPSVWMR-UGKGYDQZSA-N 1 1 452.364 4.724 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1Cc2cc(Br)ccc2OC2(CCC2)C1 ZINC001460802217 1067727082 /nfs/dbraw/zinc/72/70/82/1067727082.db2.gz ORVVZEXRHGFPOW-GOSISDBHSA-N 1 1 451.405 4.966 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@H+]1Cc2cc(Br)ccc2OC2(CCC2)C1 ZINC001460802217 1067727094 /nfs/dbraw/zinc/72/70/94/1067727094.db2.gz ORVVZEXRHGFPOW-GOSISDBHSA-N 1 1 451.405 4.966 20 0 JJADMO O=C(C[N@@H+]1CCC12CCN(C(=O)OCc1ccccc1)CC2)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC001460825416 1067729912 /nfs/dbraw/zinc/72/99/12/1067729912.db2.gz DYLUUIVIEPBDSQ-BGYRXZFFSA-N 1 1 452.517 4.801 20 0 JJADMO O=C(C[N@H+]1CCC12CCN(C(=O)OCc1ccccc1)CC2)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC001460825416 1067729927 /nfs/dbraw/zinc/72/99/27/1067729927.db2.gz DYLUUIVIEPBDSQ-BGYRXZFFSA-N 1 1 452.517 4.801 20 0 JJADMO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(Cl)cc2c1OCC2 ZINC001460827882 1067730452 /nfs/dbraw/zinc/73/04/52/1067730452.db2.gz RCQVTJPRVMHKTD-OLZOCXBDSA-N 1 1 450.988 4.753 20 0 JJADMO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[N@@H+](Cc1ccccn1)CC(C)C)C[C@@H](C)CC2 ZINC001460833597 1067731487 /nfs/dbraw/zinc/73/14/87/1067731487.db2.gz RMLAHPDEBZUBEK-ROUUACIJSA-N 1 1 457.640 4.930 20 0 JJADMO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[N@H+](Cc1ccccn1)CC(C)C)C[C@@H](C)CC2 ZINC001460833597 1067731492 /nfs/dbraw/zinc/73/14/92/1067731492.db2.gz RMLAHPDEBZUBEK-ROUUACIJSA-N 1 1 457.640 4.930 20 0 JJADMO CC[C@H](C)n1ncc(C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)c1C1CC1 ZINC001460872935 1067739646 /nfs/dbraw/zinc/73/96/46/1067739646.db2.gz PLROQDIJEDXTLO-INIZCTEOSA-N 1 1 459.432 4.888 20 0 JJADMO CC[C@@H](C)n1ncc(C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)c1C1CC1 ZINC001460872938 1067739680 /nfs/dbraw/zinc/73/96/80/1067739680.db2.gz PLROQDIJEDXTLO-MRXNPFEDSA-N 1 1 459.432 4.888 20 0 JJADMO O[C@H](COc1cccc(C(F)(F)F)c1)C[N@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001460874667 1067739929 /nfs/dbraw/zinc/73/99/29/1067739929.db2.gz RPLKNGNHLQCGBA-MOPGFXCFSA-N 1 1 458.318 4.915 20 0 JJADMO O=C(NC1CC[NH+](Cc2cccc(Br)c2)CC1)c1ccc(C2CCOCC2)cc1 ZINC001460874292 1067740077 /nfs/dbraw/zinc/74/00/77/1067740077.db2.gz WCYYUALXODYLNZ-UHFFFAOYSA-N 1 1 457.412 4.738 20 0 JJADMO O=C(NC1CC[NH+](Cc2cccc(Br)c2)CC1)c1cc(-c2cccc(F)c2)no1 ZINC001460873641 1067740140 /nfs/dbraw/zinc/74/01/40/1067740140.db2.gz RVTPCYVXIPWDCW-UHFFFAOYSA-N 1 1 458.331 4.638 20 0 JJADMO CC(C)(C)C[C@H](NC(=O)C[N@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1)c1ccc(F)cc1 ZINC001460882526 1067741697 /nfs/dbraw/zinc/74/16/97/1067741697.db2.gz GLUONIZCMSGCEU-SJBKTWHCSA-N 1 1 461.622 4.608 20 0 JJADMO Cc1ccc(S(=O)(=O)c2ccc(C[N@@H+]3CC[C@@H](CCNC(=O)OC(C)(C)C)C3)cc2)cc1 ZINC001460881997 1067741862 /nfs/dbraw/zinc/74/18/62/1067741862.db2.gz OQUCIKIFSXAPKQ-OAQYLSRUSA-N 1 1 458.624 4.565 20 0 JJADMO Cc1ccc(S(=O)(=O)c2ccc(C[N@H+]3CC[C@@H](CCNC(=O)OC(C)(C)C)C3)cc2)cc1 ZINC001460881997 1067741868 /nfs/dbraw/zinc/74/18/68/1067741868.db2.gz OQUCIKIFSXAPKQ-OAQYLSRUSA-N 1 1 458.624 4.565 20 0 JJADMO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC001460889084 1067743856 /nfs/dbraw/zinc/74/38/56/1067743856.db2.gz KDNWVYRBMDISRF-BTYIYWSLSA-N 1 1 451.792 4.722 20 0 JJADMO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC001460889084 1067743860 /nfs/dbraw/zinc/74/38/60/1067743860.db2.gz KDNWVYRBMDISRF-BTYIYWSLSA-N 1 1 451.792 4.722 20 0 JJADMO COc1ccc(C[N@H+](CCCO)CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC001460907038 1067746321 /nfs/dbraw/zinc/74/63/21/1067746321.db2.gz BXIBTVNYHQNGAM-QFIPXVFZSA-N 1 1 451.394 4.550 20 0 JJADMO COc1ccc(C[N@@H+](CCCO)CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC001460907038 1067746327 /nfs/dbraw/zinc/74/63/27/1067746327.db2.gz BXIBTVNYHQNGAM-QFIPXVFZSA-N 1 1 451.394 4.550 20 0 JJADMO COc1ccccc1NC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)C1 ZINC001460910710 1067746555 /nfs/dbraw/zinc/74/65/55/1067746555.db2.gz ZIAAKITXJRJITF-MZLICYQSSA-N 1 1 459.590 4.765 20 0 JJADMO CCCCOc1ccc(-c2nnc(C[N@@H+]3CC[C@H]4CC[C@@]43CNC(=O)OC(C)(C)C)o2)cc1 ZINC001460910344 1067746568 /nfs/dbraw/zinc/74/65/68/1067746568.db2.gz USFSITVBCXNFBM-KBMIEXCESA-N 1 1 456.587 4.795 20 0 JJADMO CCCCOc1ccc(-c2nnc(C[N@H+]3CC[C@H]4CC[C@@]43CNC(=O)OC(C)(C)C)o2)cc1 ZINC001460910344 1067746571 /nfs/dbraw/zinc/74/65/71/1067746571.db2.gz USFSITVBCXNFBM-KBMIEXCESA-N 1 1 456.587 4.795 20 0 JJADMO C[C@H](NC(=O)C[N@@H+]1CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1Cl ZINC001460922522 1067748815 /nfs/dbraw/zinc/74/88/15/1067748815.db2.gz WQMMRPFGALGSCV-NYHFZMIOSA-N 1 1 456.414 4.646 20 0 JJADMO C[C@H](NC(=O)C[N@H+]1CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1Cl ZINC001460922522 1067748818 /nfs/dbraw/zinc/74/88/18/1067748818.db2.gz WQMMRPFGALGSCV-NYHFZMIOSA-N 1 1 456.414 4.646 20 0 JJADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 ZINC001460979690 1067756123 /nfs/dbraw/zinc/75/61/23/1067756123.db2.gz GTMDIGFTLHFWPO-DNQXCXABSA-N 1 1 463.647 4.623 20 0 JJADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC001460985399 1067757693 /nfs/dbraw/zinc/75/76/93/1067757693.db2.gz ZXIIKCTXRJZYSP-IEBWSBKVSA-N 1 1 476.067 4.721 20 0 JJADMO COc1ccc([C@H](CNCc2cc(OC(F)F)ccc2Br)[NH+]2CCCC2)cc1 ZINC001460990116 1067758402 /nfs/dbraw/zinc/75/84/02/1067758402.db2.gz VKNXIAFSICCQOA-FQEVSTJZSA-N 1 1 455.343 4.986 20 0 JJADMO CC[N@H+](Cc1nc2ccc(Br)cc2n1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460989542 1067758497 /nfs/dbraw/zinc/75/84/97/1067758497.db2.gz XBLKDQDUZMCHJE-MRXNPFEDSA-N 1 1 451.409 4.557 20 0 JJADMO CC[N@@H+](Cc1nc2ccc(Br)cc2n1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460989542 1067758504 /nfs/dbraw/zinc/75/85/04/1067758504.db2.gz XBLKDQDUZMCHJE-MRXNPFEDSA-N 1 1 451.409 4.557 20 0 JJADMO Brc1cccc(-c2nc(C[NH2+]C[C@H]3CN(Cc4ccccc4)CCO3)cs2)c1 ZINC001461010562 1067762033 /nfs/dbraw/zinc/76/20/33/1067762033.db2.gz YWICUHDAYJOEPL-NRFANRHFSA-N 1 1 458.425 4.563 20 0 JJADMO C[NH+]1CCN(C(=O)Cc2ccc(NCc3ccc(Oc4cc(F)cc(F)c4)cc3)cc2)CC1 ZINC001461095621 1067781080 /nfs/dbraw/zinc/78/10/80/1067781080.db2.gz XUGRFXVUSPQFLU-UHFFFAOYSA-N 1 1 451.517 4.686 20 0 JJADMO CN1CC[NH+](Cc2cccc(NCc3csc(-c4cccc(Br)c4)n3)c2)CC1 ZINC001461098972 1067781695 /nfs/dbraw/zinc/78/16/95/1067781695.db2.gz ZQTMUJHBMXUPJD-UHFFFAOYSA-N 1 1 457.441 4.932 20 0 JJADMO CN(C)Cc1ccc(C[NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)c2c1OC(F)(F)O2 ZINC001461101052 1067782035 /nfs/dbraw/zinc/78/20/35/1067782035.db2.gz YMQNSWIPIKEQOF-UHFFFAOYSA-N 1 1 452.929 4.561 20 0 JJADMO O=C1CCCN1Cc1cccc(C[NH2+]Cc2csc(-c3cccc(Br)c3)n2)c1 ZINC001461155011 1067790133 /nfs/dbraw/zinc/79/01/33/1067790133.db2.gz OULDSOXALFDHHF-UHFFFAOYSA-N 1 1 456.409 4.985 20 0 JJADMO CC(=O)N(c1nc(C[NH2+]C[C@H](NC(=O)OC(C)(C)C)C(C)C)cs1)c1ccc(F)cc1 ZINC001461194504 1067796898 /nfs/dbraw/zinc/79/68/98/1067796898.db2.gz NLSCXWWGYXVVMU-IBGZPJMESA-N 1 1 450.580 4.606 20 0 JJADMO OC1CC[NH+](Cc2ccccc2CNCc2cccc(OCc3ccc(F)cc3F)c2)CC1 ZINC001461263156 1067813370 /nfs/dbraw/zinc/81/33/70/1067813370.db2.gz QCFYZIVFSKBSGI-UHFFFAOYSA-N 1 1 452.545 4.790 20 0 JJADMO COCC[N@@H+]1CCN(C(=O)c2ccc(CSc3nc4ccccc4s3)cc2)C(C)(C)C1 ZINC001461281249 1067817266 /nfs/dbraw/zinc/81/72/66/1067817266.db2.gz CMRGFOBALFTKNY-UHFFFAOYSA-N 1 1 455.649 4.771 20 0 JJADMO COCC[N@H+]1CCN(C(=O)c2ccc(CSc3nc4ccccc4s3)cc2)C(C)(C)C1 ZINC001461281249 1067817274 /nfs/dbraw/zinc/81/72/74/1067817274.db2.gz CMRGFOBALFTKNY-UHFFFAOYSA-N 1 1 455.649 4.771 20 0 JJADMO CC(=O)N(c1nc(CNc2cccc([C@H](C)[NH+]3CCOCC3)c2)cs1)c1ccc(F)cc1 ZINC001461292285 1067820375 /nfs/dbraw/zinc/82/03/75/1067820375.db2.gz ZAWOEFUUCJUADM-KRWDZBQOSA-N 1 1 454.571 4.972 20 0 JJADMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1csc(COc2ccc(F)cc2)n1 ZINC001461298615 1067822191 /nfs/dbraw/zinc/82/21/91/1067822191.db2.gz DFSKRPATPLNUNC-IPMKNSEASA-N 1 1 453.583 4.985 20 0 JJADMO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC001461307026 1067824416 /nfs/dbraw/zinc/82/44/16/1067824416.db2.gz HJSNQINRAHZXMH-RNIPGJKVSA-N 1 1 450.549 4.676 20 0 JJADMO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CNc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC001461330060 1067830284 /nfs/dbraw/zinc/83/02/84/1067830284.db2.gz DSZGFUKFMFPCLR-NRFANRHFSA-N 1 1 458.393 4.549 20 0 JJADMO Cc1nc(C2CCCCC2)sc1C(=O)Nc1ccc(OCCC[NH+]2CCN(C)CC2)cc1 ZINC001461344409 1067834669 /nfs/dbraw/zinc/83/46/69/1067834669.db2.gz JDEWGRLGSJIYDM-UHFFFAOYSA-N 1 1 456.656 4.768 20 0 JJADMO CCOc1cc(C[NH2+][C@H]2CCc3cn[nH]c3C2)cc(Br)c1OCc1ccccc1 ZINC001461350297 1067836386 /nfs/dbraw/zinc/83/63/86/1067836386.db2.gz OZADIUMDHQNERG-IBGZPJMESA-N 1 1 456.384 4.797 20 0 JJADMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cc(Br)cc(Br)c1 ZINC001461361068 1067838424 /nfs/dbraw/zinc/83/84/24/1067838424.db2.gz MJRLRXKLVRRKAZ-MJGOQNOKSA-N 1 1 464.201 4.968 20 0 JJADMO COc1cc(Br)c(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1OC ZINC001461381214 1067842874 /nfs/dbraw/zinc/84/28/74/1067842874.db2.gz LBDPUDUTRWHMII-CZTZKLFOSA-N 1 1 459.428 4.857 20 0 JJADMO COc1ccc(C[NH2+][C@H](CCO)c2ccccc2Br)cc1OCc1cccnc1 ZINC001461431622 1067854840 /nfs/dbraw/zinc/85/48/40/1067854840.db2.gz PQDIQBOYGTYRMH-OAQYLSRUSA-N 1 1 457.368 4.645 20 0 JJADMO Cc1ccccc1[C@H]([C@@H](C)NCc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1)[NH+](C)C ZINC001461440236 1067857379 /nfs/dbraw/zinc/85/73/79/1067857379.db2.gz BJEDTTXQMAENFH-CZSZKKDXSA-N 1 1 455.643 4.927 20 0 JJADMO C[N@@H+](Cc1ccc2nc(NC(=O)C3(CNC(=O)OC(C)(C)C)CCCC3)sc2c1)C1CC1 ZINC001461475070 1067868190 /nfs/dbraw/zinc/86/81/90/1067868190.db2.gz KTDWXSGMKYSDKL-UHFFFAOYSA-N 1 1 458.628 4.914 20 0 JJADMO CCc1ccccc1[C@H](C[NH2+]Cc1ncc(Br)cc1F)NC(=O)OC(C)(C)C ZINC001461548521 1067886182 /nfs/dbraw/zinc/88/61/82/1067886182.db2.gz HOQWFKBSTJNWBE-SFHVURJKSA-N 1 1 452.368 4.901 20 0 JJADMO CC(C)[C@H]1CN(C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)CC[N@H+]1Cc1ccccc1 ZINC001461594563 1067896651 /nfs/dbraw/zinc/89/66/51/1067896651.db2.gz DRIJLCKKTIOWFL-JOCHJYFZSA-N 1 1 452.986 4.692 20 0 JJADMO CC(C)[C@H]1CN(C(=O)C2CCC(NC(=O)CC3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001461598806 1067898536 /nfs/dbraw/zinc/89/85/36/1067898536.db2.gz MODVPMXGZFJPCP-NRUKRLKBSA-N 1 1 453.671 4.611 20 0 JJADMO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC001461663911 1067913365 /nfs/dbraw/zinc/91/33/65/1067913365.db2.gz ZAEBRAIXPUCCIA-OAHLLOKOSA-N 1 1 451.802 4.943 20 0 JJADMO CC(C)c1nc(CNc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc[nH+]2)c2ccccn21 ZINC001461666685 1067913932 /nfs/dbraw/zinc/91/39/32/1067913932.db2.gz GEEOIBDYDYVHRB-UHFFFAOYSA-N 1 1 450.587 4.522 20 0 JJADMO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC001461695885 1067920431 /nfs/dbraw/zinc/92/04/31/1067920431.db2.gz QOBZYCGAAKCCEU-SFHVURJKSA-N 1 1 454.290 4.785 20 0 JJADMO COCO[C@H](C)c1cc(F)c(C[NH2+]Cc2cc3c([nH]c2=O)CCCC3)cc1Br ZINC001461699833 1067921296 /nfs/dbraw/zinc/92/12/96/1067921296.db2.gz OFECTDVPXRFLKX-CYBMUJFWSA-N 1 1 453.352 4.539 20 0 JJADMO Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001461716821 1067924144 /nfs/dbraw/zinc/92/41/44/1067924144.db2.gz LZOHYAQTLBRPOM-FQEVSTJZSA-N 1 1 457.405 4.729 20 0 JJADMO FC(F)(F)c1ccc(Br)c(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)c1 ZINC001461755367 1067930918 /nfs/dbraw/zinc/93/09/18/1067930918.db2.gz QZWPCYGIFPZLCN-UHFFFAOYSA-N 1 1 454.246 4.877 20 0 JJADMO Cc1cc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)ccc1NC(=O)OC(C)(C)C ZINC001461770441 1067933410 /nfs/dbraw/zinc/93/34/10/1067933410.db2.gz MLGSREARCUFFIA-LEWJYISDSA-N 1 1 455.603 4.528 20 0 JJADMO OC[C@@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)c1ccccc1I ZINC001461812275 1067940887 /nfs/dbraw/zinc/94/08/87/1067940887.db2.gz QMTMDMXMGZNJGP-JOCHJYFZSA-N 1 1 459.327 4.693 20 0 JJADMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC001461851561 1067947047 /nfs/dbraw/zinc/94/70/47/1067947047.db2.gz MJRXXOKHCSGPNZ-SFHVURJKSA-N 1 1 456.940 4.598 20 0 JJADMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC001461851561 1067947058 /nfs/dbraw/zinc/94/70/58/1067947058.db2.gz MJRXXOKHCSGPNZ-SFHVURJKSA-N 1 1 456.940 4.598 20 0 JJADMO Cn1nc(C(=O)OC(C)(C)C)cc1C[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC001461870549 1067951276 /nfs/dbraw/zinc/95/12/76/1067951276.db2.gz RRYJSQKUDMLZTR-UHFFFAOYSA-N 1 1 454.398 4.973 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@](C)(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001461894323 1067956292 /nfs/dbraw/zinc/95/62/92/1067956292.db2.gz CUVMJVUPNXKWTN-XMMPIXPASA-N 1 1 450.023 4.525 20 0 JJADMO COC(=O)c1ccc(-c2ccc(C[N@@H+]3CCCN(C(=O)c4ccc(Cl)cc4)CC3)o2)cc1 ZINC001461900083 1067957501 /nfs/dbraw/zinc/95/75/01/1067957501.db2.gz QTYBHUMSNFSLSK-UHFFFAOYSA-N 1 1 452.938 4.735 20 0 JJADMO COC(=O)c1ccc(-c2ccc(C[N@H+]3CCCN(C(=O)c4ccc(Cl)cc4)CC3)o2)cc1 ZINC001461900083 1067957505 /nfs/dbraw/zinc/95/75/05/1067957505.db2.gz QTYBHUMSNFSLSK-UHFFFAOYSA-N 1 1 452.938 4.735 20 0 JJADMO COCc1ccccc1/C=C(/C)C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC001461899204 1067957532 /nfs/dbraw/zinc/95/75/32/1067957532.db2.gz ODOGUCOIWHQIPF-GTVARFKMSA-N 1 1 458.400 4.745 20 0 JJADMO CN(C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1)C(=O)OC(C)(C)C ZINC001461902411 1067958402 /nfs/dbraw/zinc/95/84/02/1067958402.db2.gz NVEFIIVNXPOSLT-ZDUSSCGKSA-N 1 1 455.422 4.590 20 0 JJADMO C[C@H](C[N@@H+](C)Cc1ccc(Br)cc1SCCS(C)(=O)=O)c1ccccc1 ZINC001461912688 1067960091 /nfs/dbraw/zinc/96/00/91/1067960091.db2.gz HCWGOLXYXZDZQJ-MRXNPFEDSA-N 1 1 456.471 4.821 20 0 JJADMO C[N@@H+](Cc1cc(OC(F)F)ccc1Br)C1CCN(C(=O)c2ccccc2)CC1 ZINC001461917785 1067961055 /nfs/dbraw/zinc/96/10/55/1067961055.db2.gz VSINHAKRHBJCEF-UHFFFAOYSA-N 1 1 453.327 4.787 20 0 JJADMO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cnn(Cc4ccccc4)c3Cl)CC2)cc1F ZINC001461928602 1067962710 /nfs/dbraw/zinc/96/27/10/1067962710.db2.gz REBRDPZYRNXGAT-UHFFFAOYSA-N 1 1 454.977 4.561 20 0 JJADMO COC(=O)[C@@H](C)Oc1ccccc1C[N@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001461929609 1067962729 /nfs/dbraw/zinc/96/27/29/1067962729.db2.gz XJSGCKGZICPSBR-UXHICEINSA-N 1 1 455.599 4.902 20 0 JJADMO COc1ccc(C(=O)N2CC[NH+](Cc3cccc(-c4ccc(Cl)cc4)c3)CC2)c(OC)c1 ZINC001461934120 1067964165 /nfs/dbraw/zinc/96/41/65/1067964165.db2.gz IXXAFWJQUIQJGW-UHFFFAOYSA-N 1 1 450.966 4.982 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2C[N@H+]2CCCC[C@@H]2Cc2ccc(F)cc2)C1 ZINC001461948950 1067967223 /nfs/dbraw/zinc/96/72/23/1067967223.db2.gz JLQLREVTCIDTDY-YADHBBJMSA-N 1 1 457.594 4.586 20 0 JJADMO COc1sc(C[N@@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)cc1Br ZINC001461958796 1067969293 /nfs/dbraw/zinc/96/92/93/1067969293.db2.gz LMPCLLQCDUPFBD-ZDUSSCGKSA-N 1 1 456.381 4.692 20 0 JJADMO COc1sc(C[N@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)cc1Br ZINC001461958796 1067969300 /nfs/dbraw/zinc/96/93/00/1067969300.db2.gz LMPCLLQCDUPFBD-ZDUSSCGKSA-N 1 1 456.381 4.692 20 0 JJADMO COc1cc(OC)cc(N2CC[C@H]([N@@H+](C)CC(Cc3ccccc3)Cc3ccccc3)C2=O)c1 ZINC001461968062 1067971515 /nfs/dbraw/zinc/97/15/15/1067971515.db2.gz NMYJVVYMJNPFAM-NDEPHWFRSA-N 1 1 458.602 4.843 20 0 JJADMO COc1ccc(CN2CC[NH+](Cc3ccc(-c4cccc(Br)c4)s3)CC2)nc1 ZINC001461975603 1067973045 /nfs/dbraw/zinc/97/30/45/1067973045.db2.gz IHEVVFNKFCHBHD-UHFFFAOYSA-N 1 1 458.425 4.899 20 0 JJADMO CC[N@@H+](Cc1cnn(Cc2ccc(F)cc2)c1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001461985816 1067975464 /nfs/dbraw/zinc/97/54/64/1067975464.db2.gz GMHIWGKVAQJRMB-UHFFFAOYSA-N 1 1 450.606 4.783 20 0 JJADMO CC(C)(C)[C@]1(CN2CCCN(C(=O)c3cccc(F)c3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001462015407 1067981312 /nfs/dbraw/zinc/98/13/12/1067981312.db2.gz SOUJIFYEQNLGIM-NDEPHWFRSA-N 1 1 451.630 4.912 20 0 JJADMO C[C@]1(c2ccccc2)CC[C@H]([NH+]2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC001462017089 1067981842 /nfs/dbraw/zinc/98/18/42/1067981842.db2.gz GCVCOVQEGQNVCC-AVRDEDQJSA-N 1 1 453.435 4.810 20 0 JJADMO CC(C)[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1cccn(C(F)F)c1=O ZINC001462038388 1067986578 /nfs/dbraw/zinc/98/65/78/1067986578.db2.gz MQFFAXWAASEEBI-UHFFFAOYSA-N 1 1 451.823 4.765 20 0 JJADMO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+](C)Cc2ccccc2C(F)(F)F)cnn1C ZINC001462038057 1067986717 /nfs/dbraw/zinc/98/67/17/1067986717.db2.gz BLNYTLUDHZXIFE-QGZVFWFLSA-N 1 1 454.537 4.563 20 0 JJADMO CC(C)(C)OC(=O)C1CCN(c2ccc(C[N@@H+](Cc3ccccc3)[C@H](CO)C3CC3)o2)CC1 ZINC001462050171 1067990651 /nfs/dbraw/zinc/99/06/51/1067990651.db2.gz LODDLQLBTLQKMT-XMMPIXPASA-N 1 1 454.611 4.611 20 0 JJADMO COc1ccc(C)cc1C[NH+]1CCN(Cc2cccc(Br)c2OC(F)F)CC1 ZINC001462050499 1067990715 /nfs/dbraw/zinc/99/07/15/1067990715.db2.gz YFTNZDZLAPUNRV-UHFFFAOYSA-N 1 1 455.343 4.685 20 0 JJADMO CC(C)(C)OC(=O)NCC[N@H+](Cc1ccccc1)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001462055215 1067992017 /nfs/dbraw/zinc/99/20/17/1067992017.db2.gz QPAWWGVZEJZTIA-GOSISDBHSA-N 1 1 457.562 4.562 20 0 JJADMO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(Br)cc(F)c(F)c2N2CCCCC2)[C@]12CCCO2 ZINC001462061524 1067994010 /nfs/dbraw/zinc/99/40/10/1067994010.db2.gz GWPAUJBVONKLKA-DBXWQHBBSA-N 1 1 459.375 4.534 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)[C@@H](C)OCc2ccc(C)cc2)cc1 ZINC001462113193 1068006922 /nfs/dbraw/zinc/00/69/22/1068006922.db2.gz WVJMGKYRLFWYHH-KKVCJECGSA-N 1 1 458.602 4.693 20 0 JJADMO COc1cc(Cl)c(Br)cc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001462121615 1068009567 /nfs/dbraw/zinc/00/95/67/1068009567.db2.gz KSIANXOXUNLRCF-ZBFHGGJFSA-N 1 1 451.792 4.609 20 0 JJADMO Cc1nc(COc2ccc(F)cc2)sc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001462124716 1068010518 /nfs/dbraw/zinc/01/05/18/1068010518.db2.gz PNPWRJFWRFJLHT-PXNSSMCTSA-N 1 1 453.583 4.668 20 0 JJADMO Cc1nc(COc2ccc(F)cc2)sc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001462124729 1068010684 /nfs/dbraw/zinc/01/06/84/1068010684.db2.gz PNPWRJFWRFJLHT-YLJYHZDGSA-N 1 1 453.583 4.668 20 0 JJADMO COC(=O)c1ccc(COc2ccccc2CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1 ZINC001462129817 1068012190 /nfs/dbraw/zinc/01/21/90/1068012190.db2.gz OVKIKRCTSRXCPA-FQEVSTJZSA-N 1 1 450.604 4.993 20 0 JJADMO CC(C)(C)OC(=O)Nc1ccc(C[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)nn1 ZINC001462132897 1068012489 /nfs/dbraw/zinc/01/24/89/1068012489.db2.gz KCILRTLMKCRCLD-GOSISDBHSA-N 1 1 451.340 4.966 20 0 JJADMO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC001462152355 1068017187 /nfs/dbraw/zinc/01/71/87/1068017187.db2.gz UMLIPYFJGCBBHM-HNNXBMFYSA-N 1 1 454.402 4.701 20 0 JJADMO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC001462152355 1068017201 /nfs/dbraw/zinc/01/72/01/1068017201.db2.gz UMLIPYFJGCBBHM-HNNXBMFYSA-N 1 1 454.402 4.701 20 0 JJADMO CCC1(Cn2c(-c3cc(F)ccc3Br)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)CCC1 ZINC001546129706 1068018326 /nfs/dbraw/zinc/01/83/26/1068018326.db2.gz PQBJYIXXGZMUQZ-KRWDZBQOSA-N 1 1 494.453 4.584 20 0 JJADMO C[N@H+](Cc1ccc(OC(F)(F)F)c(Br)c1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC001462188934 1068025152 /nfs/dbraw/zinc/02/51/52/1068025152.db2.gz DMZCVKOMWQQXPL-KRWDZBQOSA-N 1 1 457.290 4.581 20 0 JJADMO C[N@@H+](Cc1ccc(OC(F)(F)F)c(Br)c1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC001462188934 1068025167 /nfs/dbraw/zinc/02/51/67/1068025167.db2.gz DMZCVKOMWQQXPL-KRWDZBQOSA-N 1 1 457.290 4.581 20 0 JJADMO CN(C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2Oc2ccc(Cl)cc2)C1)S(C)(=O)=O ZINC001462219622 1068031214 /nfs/dbraw/zinc/03/12/14/1068031214.db2.gz LYXUUPMSGWWEGV-MRXNPFEDSA-N 1 1 457.423 4.889 20 0 JJADMO CN(C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Oc2ccc(Cl)cc2)C1)S(C)(=O)=O ZINC001462219622 1068031230 /nfs/dbraw/zinc/03/12/30/1068031230.db2.gz LYXUUPMSGWWEGV-MRXNPFEDSA-N 1 1 457.423 4.889 20 0 JJADMO Fc1ccc(I)c(F)c1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC001462225376 1068032172 /nfs/dbraw/zinc/03/21/72/1068032172.db2.gz MDAJCGVLMLCVJU-IDHHARJASA-N 1 1 455.286 4.574 20 0 JJADMO Fc1ccc(I)c(F)c1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC001462225376 1068032185 /nfs/dbraw/zinc/03/21/85/1068032185.db2.gz MDAJCGVLMLCVJU-IDHHARJASA-N 1 1 455.286 4.574 20 0 JJADMO CC(C)(C)OC(=O)N[C@H]1C[C@@](C(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)(c2ccccc2)C1 ZINC001462239808 1068035894 /nfs/dbraw/zinc/03/58/94/1068035894.db2.gz BUYHEMOAKBADRM-MYIHVTGJSA-N 1 1 455.643 4.525 20 0 JJADMO Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC001462256137 1068039157 /nfs/dbraw/zinc/03/91/57/1068039157.db2.gz CQQRQJUJMFFFKN-NRFANRHFSA-N 1 1 453.583 4.505 20 0 JJADMO Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC001462256137 1068039171 /nfs/dbraw/zinc/03/91/71/1068039171.db2.gz CQQRQJUJMFFFKN-NRFANRHFSA-N 1 1 453.583 4.505 20 0 JJADMO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH+]1CCN(c2cccc(F)n2)CC1 ZINC001462261044 1068040744 /nfs/dbraw/zinc/04/07/44/1068040744.db2.gz RGSUHXMMGXPDBL-UHFFFAOYSA-N 1 1 458.379 4.615 20 0 JJADMO Cc1nn(-c2ccccc2Br)cc1C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC001462284230 1068043606 /nfs/dbraw/zinc/04/36/06/1068043606.db2.gz QAPCKAZCGQHMMP-DEOSSOPVSA-N 1 1 454.412 4.760 20 0 JJADMO C[C@@H]1CC[N@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001462314932 1068049656 /nfs/dbraw/zinc/04/96/56/1068049656.db2.gz PVFXWTCHSGZORQ-CABCVRRESA-N 1 1 454.402 4.557 20 0 JJADMO C[C@@H]1CC[N@@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001462314932 1068049673 /nfs/dbraw/zinc/04/96/73/1068049673.db2.gz PVFXWTCHSGZORQ-CABCVRRESA-N 1 1 454.402 4.557 20 0 JJADMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC001462337842 1068054201 /nfs/dbraw/zinc/05/42/01/1068054201.db2.gz WWENPQGORJDCNQ-QGZVFWFLSA-N 1 1 455.401 4.907 20 0 JJADMO COc1ccc(OC)c2sc(NC(=O)c3ccccc3OCC[N@H+]3CCCC[C@H]3C)nc21 ZINC001462359990 1068059340 /nfs/dbraw/zinc/05/93/40/1068059340.db2.gz GQLUGACHSUQXID-MRXNPFEDSA-N 1 1 455.580 4.819 20 0 JJADMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC001462380194 1068063547 /nfs/dbraw/zinc/06/35/47/1068063547.db2.gz GAVHWWDWTMXSKX-HSALFYBXSA-N 1 1 466.569 4.688 20 0 JJADMO COc1cc(Br)c(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]2C)cc1O ZINC001462386309 1068063791 /nfs/dbraw/zinc/06/37/91/1068063791.db2.gz NKFXXASOMOSZSO-YCPHGPKFSA-N 1 1 457.409 4.535 20 0 JJADMO COc1cc(Br)c(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]2C)cc1O ZINC001462386309 1068063805 /nfs/dbraw/zinc/06/38/05/1068063805.db2.gz NKFXXASOMOSZSO-YCPHGPKFSA-N 1 1 457.409 4.535 20 0 JJADMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001462400339 1068066137 /nfs/dbraw/zinc/06/61/37/1068066137.db2.gz XTLPIYRMDYNXDU-PGRDOPGGSA-N 1 1 459.631 4.857 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cccc(Br)c3)C2)C1 ZINC001462409581 1068067583 /nfs/dbraw/zinc/06/75/83/1068067583.db2.gz VKDUKHSYTRQZGT-DFQSSKMNSA-N 1 1 453.421 4.733 20 0 JJADMO COC(=O)c1ccc(COc2ccc(C[N@H+]3CCS[C@@H](c4ccccc4)C3)cc2OC)o1 ZINC001462415181 1068070048 /nfs/dbraw/zinc/07/00/48/1068070048.db2.gz OPMXBAXKBSPEDD-XMMPIXPASA-N 1 1 453.560 4.944 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)C2)O1 ZINC001462439700 1068074594 /nfs/dbraw/zinc/07/45/94/1068074594.db2.gz JETTWMXSTVQGAX-OPAMFIHVSA-N 1 1 452.904 4.864 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)C2)O1 ZINC001462439700 1068074608 /nfs/dbraw/zinc/07/46/08/1068074608.db2.gz JETTWMXSTVQGAX-OPAMFIHVSA-N 1 1 452.904 4.864 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(C(=O)/C=C/c3ccsc3C(F)(F)F)C2)O1 ZINC001462445653 1068076231 /nfs/dbraw/zinc/07/62/31/1068076231.db2.gz QEONOPQVYJCMEN-BPMZZNLFSA-N 1 1 450.526 4.672 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(C(=O)/C=C/c3ccsc3C(F)(F)F)C2)O1 ZINC001462445653 1068076241 /nfs/dbraw/zinc/07/62/41/1068076241.db2.gz QEONOPQVYJCMEN-BPMZZNLFSA-N 1 1 450.526 4.672 20 0 JJADMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)C2)O1 ZINC001462449376 1068076869 /nfs/dbraw/zinc/07/68/69/1068076869.db2.gz YDOFRLNKKGSZDK-AOMKIAJQSA-N 1 1 452.904 4.864 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)C2)O1 ZINC001462449376 1068076886 /nfs/dbraw/zinc/07/68/86/1068076886.db2.gz YDOFRLNKKGSZDK-AOMKIAJQSA-N 1 1 452.904 4.864 20 0 JJADMO Cc1ccc(C[N@@H+]2CC[C@@H](NCc3ccc(N4CCC(C(=O)OC(C)(C)C)CC4)o3)C2)cc1 ZINC001462524032 1068091276 /nfs/dbraw/zinc/09/12/76/1068091276.db2.gz RISJHILSOBSSNW-HSZRJFAPSA-N 1 1 453.627 4.510 20 0 JJADMO Cc1ccc(C[N@H+]2CC[C@@H](NCc3ccc(N4CCC(C(=O)OC(C)(C)C)CC4)o3)C2)cc1 ZINC001462524032 1068091293 /nfs/dbraw/zinc/09/12/93/1068091293.db2.gz RISJHILSOBSSNW-HSZRJFAPSA-N 1 1 453.627 4.510 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(CN(C)Cc3c(F)cc(Br)cc3F)cc2)C[C@H](C)O1 ZINC001462528396 1068092325 /nfs/dbraw/zinc/09/23/25/1068092325.db2.gz OEDMFMWEGOFFQZ-IYBDPMFKSA-N 1 1 453.371 4.969 20 0 JJADMO Cc1ccc(C2=NO[C@@H](C[NH2+]Cc3cc(Cl)ccc3I)C2)cc1C ZINC001462557835 1068097951 /nfs/dbraw/zinc/09/79/51/1068097951.db2.gz WJVTVKNPXPCMOX-QGZVFWFLSA-N 1 1 454.739 4.844 20 0 JJADMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C[C@]2(C)C1 ZINC001462573655 1068100947 /nfs/dbraw/zinc/10/09/47/1068100947.db2.gz JYJBLYDVYMEJHZ-PGRDOPGGSA-N 1 1 450.505 4.784 20 0 JJADMO CC(=O)N(c1nc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)cs1)c1cccc(Cl)c1 ZINC001462589830 1068105816 /nfs/dbraw/zinc/10/58/16/1068105816.db2.gz KRXMKODNUJVTFQ-RIYHHTFRSA-N 1 1 450.004 4.543 20 0 JJADMO CC(C)(C)OC(=O)NCC[N@@H+](Cc1cccc(Cl)c1)CC(C)(C)NC(=O)OC(C)(C)C ZINC001462590384 1068106498 /nfs/dbraw/zinc/10/64/98/1068106498.db2.gz ZCOCLFJAIKYOBS-UHFFFAOYSA-N 1 1 456.027 4.970 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)C[C@@H]2C1 ZINC001462623270 1068115005 /nfs/dbraw/zinc/11/50/05/1068115005.db2.gz LKYWWUXHLSBVFI-WOJBJXKFSA-N 1 1 464.532 4.639 20 0 JJADMO COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC001462634857 1068119394 /nfs/dbraw/zinc/11/93/94/1068119394.db2.gz TXNAHHRZHWUKIW-QGZVFWFLSA-N 1 1 454.368 4.857 20 0 JJADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NCC3(c4ccc(Br)cc4)CC3)cc2)C[C@@H](C)O1 ZINC001462634279 1068119598 /nfs/dbraw/zinc/11/95/98/1068119598.db2.gz LPLFGMHKPGFYPN-QZTJIDSGSA-N 1 1 457.412 4.520 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@@H](OCC2CCCC2)c2ccccc2)CCOCC1 ZINC001462646935 1068123104 /nfs/dbraw/zinc/12/31/04/1068123104.db2.gz ZQEDJROSCKACLV-SANMLTNESA-N 1 1 450.623 4.732 20 0 JJADMO COC(=O)c1cnc([C@H](C)[NH2+]C[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)s1 ZINC001462665992 1068127190 /nfs/dbraw/zinc/12/71/90/1068127190.db2.gz ZRXMVVNBMHTDNH-BBRMVZONSA-N 1 1 452.502 4.729 20 0 JJADMO COc1ccc(-c2ccccc2C)cc1C[N@H+]1CCC[C@@H](N(CCO)C(=O)OC(C)(C)C)C1 ZINC001462671106 1068127936 /nfs/dbraw/zinc/12/79/36/1068127936.db2.gz DUXSNRJYDQDNTN-HSZRJFAPSA-N 1 1 454.611 4.864 20 0 JJADMO Cc1ccc(C2(C(=O)N[C@@H]3CCC[N@H+]4CCSC[C@H]34)CCCCC2)c(Br)c1 ZINC001462749617 1068154249 /nfs/dbraw/zinc/15/42/49/1068154249.db2.gz QFWDDFFPAKRQJD-WOJBJXKFSA-N 1 1 451.474 4.655 20 0 JJADMO CC(C)COc1ncc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)cc1Cl ZINC001462770099 1068161849 /nfs/dbraw/zinc/16/18/49/1068161849.db2.gz OMQJDRWCUGTDTC-IEBWSBKVSA-N 1 1 455.908 4.563 20 0 JJADMO CC(C)COc1ncc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)cc1Cl ZINC001462770099 1068161857 /nfs/dbraw/zinc/16/18/57/1068161857.db2.gz OMQJDRWCUGTDTC-IEBWSBKVSA-N 1 1 455.908 4.563 20 0 JJADMO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c(C)cc1Br ZINC001462771123 1068163157 /nfs/dbraw/zinc/16/31/57/1068163157.db2.gz ZOVUKGOVOMPISE-IEBWSBKVSA-N 1 1 455.318 4.859 20 0 JJADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c(C)cc1Br ZINC001462771123 1068163162 /nfs/dbraw/zinc/16/31/62/1068163162.db2.gz ZOVUKGOVOMPISE-IEBWSBKVSA-N 1 1 455.318 4.859 20 0 JJADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNS(=O)(=O)c2c3ncsc3ccc2Cl)cc1 ZINC001462828603 1068180875 /nfs/dbraw/zinc/18/08/75/1068180875.db2.gz AYEWPAALXJDAIF-OAHLLOKOSA-N 1 1 450.029 4.803 20 0 JJADMO Cc1sc(Br)cc1S(=O)(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001462832018 1068182597 /nfs/dbraw/zinc/18/25/97/1068182597.db2.gz LCOUSAGSLVPHCT-AWEZNQCLSA-N 1 1 457.459 4.672 20 0 JJADMO CCOc1ccc(CCCC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1OCC ZINC001462837353 1068185067 /nfs/dbraw/zinc/18/50/67/1068185067.db2.gz SKMIPWGZNJQSEL-RPBOFIJWSA-N 1 1 450.623 4.787 20 0 JJADMO Cc1csc([C@H](C)NS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)n1 ZINC001463002505 1068245683 /nfs/dbraw/zinc/24/56/83/1068245683.db2.gz GTTIYPPFTXRLTL-BULFRSBZSA-N 1 1 476.067 4.754 20 0 JJADMO CCN(C)c1ccccc1CNS(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(C)cc1 ZINC001463046728 1068264509 /nfs/dbraw/zinc/26/45/09/1068264509.db2.gz GXYWOGCNWSRYDF-XTEPFMGCSA-N 1 1 477.674 4.539 20 0 JJADMO CCS[C@H]1CCCCN(S(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(C)cc2)C1 ZINC001463062844 1068271727 /nfs/dbraw/zinc/27/17/27/1068271727.db2.gz FZUDSKXRRXOBLK-KKUQBAQOSA-N 1 1 472.720 4.900 20 0 JJADMO CC[N@@H+](CCC1CCN(C(=O)COc2ccc(Cl)cc2Br)CC1)CC1CC1 ZINC001546136481 1068284292 /nfs/dbraw/zinc/28/42/92/1068284292.db2.gz HBRTXRAJUOFELV-UHFFFAOYSA-N 1 1 457.840 4.842 20 0 JJADMO Cc1noc(C)c1[C@@H](C)NS(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001463136367 1068299149 /nfs/dbraw/zinc/29/91/49/1068299149.db2.gz PEOUKTVQEDCPKP-MQNAVGNWSA-N 1 1 474.026 4.593 20 0 JJADMO C[C@@]1(NC(=O)c2ccc(OCC(F)(F)F)cn2)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001463145899 1068301953 /nfs/dbraw/zinc/30/19/53/1068301953.db2.gz FNGOFSTWDDQZIL-WIOPSUGQSA-N 1 1 469.507 4.811 20 0 JJADMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)[C@H]1c1cccs1 ZINC001463152155 1068304595 /nfs/dbraw/zinc/30/45/95/1068304595.db2.gz BPFAXPNNIZHSIA-PXAZEXFGSA-N 1 1 452.951 4.782 20 0 JJADMO CO[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1ccccc1Br ZINC001463176786 1068310141 /nfs/dbraw/zinc/31/01/41/1068310141.db2.gz PTKMRWXLNIFJBI-ICDZXHCJSA-N 1 1 479.418 4.921 20 0 JJADMO CCCOc1ccc(S(=O)(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C(C)(C)C ZINC001463186040 1068313453 /nfs/dbraw/zinc/31/34/53/1068313453.db2.gz KQLSTAVKJIELPT-JOCHJYFZSA-N 1 1 458.668 4.916 20 0 JJADMO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)CC[N@H+]1Cc1ccccc1 ZINC001463231548 1068328937 /nfs/dbraw/zinc/32/89/37/1068328937.db2.gz OFNMIXSYIZJZHT-HKUYNNGSSA-N 1 1 457.665 4.925 20 0 JJADMO CC(C)(C)C(=O)c1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001463277041 1068341505 /nfs/dbraw/zinc/34/15/05/1068341505.db2.gz DKGQKMMJAWPFMH-ISKFKSNPSA-N 1 1 454.636 4.591 20 0 JJADMO Cc1c2cc(F)ccc2oc1S(=O)(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001463431756 1068395333 /nfs/dbraw/zinc/39/53/33/1068395333.db2.gz FMKIHJGIQUOSAE-VLIAUNLRSA-N 1 1 454.926 4.644 20 0 JJADMO Cc1c2cc(F)ccc2oc1S(=O)(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001463431756 1068395350 /nfs/dbraw/zinc/39/53/50/1068395350.db2.gz FMKIHJGIQUOSAE-VLIAUNLRSA-N 1 1 454.926 4.644 20 0 JJADMO Cc1c2cc(F)ccc2oc1S(=O)(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001463431747 1068395439 /nfs/dbraw/zinc/39/54/39/1068395439.db2.gz FMKIHJGIQUOSAE-JLTOFOAXSA-N 1 1 454.926 4.644 20 0 JJADMO Cc1c2cc(F)ccc2oc1S(=O)(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001463431747 1068395454 /nfs/dbraw/zinc/39/54/54/1068395454.db2.gz FMKIHJGIQUOSAE-JLTOFOAXSA-N 1 1 454.926 4.644 20 0 JJADMO O=C([C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001463573973 1068451771 /nfs/dbraw/zinc/45/17/71/1068451771.db2.gz NTBNODIDPNSOAK-NRFANRHFSA-N 1 1 451.920 4.672 20 0 JJADMO O=C([C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001463573973 1068451777 /nfs/dbraw/zinc/45/17/77/1068451777.db2.gz NTBNODIDPNSOAK-NRFANRHFSA-N 1 1 451.920 4.672 20 0 JJADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(Cl)cc(Cl)c2OCc2ccccc2)C1 ZINC001463773258 1068520508 /nfs/dbraw/zinc/52/05/08/1068520508.db2.gz BGVIAZAESCSQQY-IBGZPJMESA-N 1 1 451.394 4.659 20 0 JJADMO Cc1cc([C@@H](C)NS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)ccc1F ZINC001463789344 1068524711 /nfs/dbraw/zinc/52/47/11/1068524711.db2.gz CELLPCJMGHJUFE-YZXAJQSBSA-N 1 1 470.585 4.922 20 0 JJADMO COc1cccc(C[C@H](C)CC(=O)NN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC001463792613 1068525964 /nfs/dbraw/zinc/52/59/64/1068525964.db2.gz ACHBYZQTKACSFK-QHCPKHFHSA-N 1 1 457.618 4.702 20 0 JJADMO CC(C)(C)n1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c(-c2ccc(F)cc2F)n1 ZINC001463829070 1068539998 /nfs/dbraw/zinc/53/99/98/1068539998.db2.gz VBNQHXKQWYXZMC-UHFFFAOYSA-N 1 1 452.549 4.931 20 0 JJADMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC001463837949 1068542480 /nfs/dbraw/zinc/54/24/80/1068542480.db2.gz OWHFHSRAQYBHBP-QHCPKHFHSA-N 1 1 451.954 4.592 20 0 JJADMO Cc1ccc(C[N@H+]2CCCN(C(=O)CC3(CNC(=O)OC(C)(C)C)CCCCC3)CC2)cc1 ZINC001463909783 1068562279 /nfs/dbraw/zinc/56/22/79/1068562279.db2.gz XXTOIGFDOKXCMC-UHFFFAOYSA-N 1 1 457.659 4.895 20 0 JJADMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1cc(Cl)ccc1Oc1ccc(F)cc1 ZINC001464041430 1068597422 /nfs/dbraw/zinc/59/74/22/1068597422.db2.gz GJACPLDZKBFKJQ-UHFFFAOYSA-N 1 1 453.945 4.823 20 0 JJADMO Cc1sc(C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1-c1ccc(F)cc1 ZINC001464100675 1068615409 /nfs/dbraw/zinc/61/54/09/1068615409.db2.gz VQIJJEWNANEUKY-XMMPIXPASA-N 1 1 451.611 4.971 20 0 JJADMO Cc1sc(C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1-c1ccc(F)cc1 ZINC001464100675 1068615414 /nfs/dbraw/zinc/61/54/14/1068615414.db2.gz VQIJJEWNANEUKY-XMMPIXPASA-N 1 1 451.611 4.971 20 0 JJADMO Cc1sc(C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1-c1ccc(F)cc1 ZINC001464100675 1068615419 /nfs/dbraw/zinc/61/54/19/1068615419.db2.gz VQIJJEWNANEUKY-XMMPIXPASA-N 1 1 451.611 4.971 20 0 JJADMO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001464136496 1068629976 /nfs/dbraw/zinc/62/99/76/1068629976.db2.gz KSBDTGKFGVVZJN-WOJBJXKFSA-N 1 1 450.341 4.579 20 0 JJADMO Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1C(F)(F)F ZINC001464163100 1068639096 /nfs/dbraw/zinc/63/90/96/1068639096.db2.gz IKLAXKANTKDDHL-IBGZPJMESA-N 1 1 452.542 4.594 20 0 JJADMO C[C@@H](CNC(=O)c1ccccc1NC(=O)c1cccc(Br)c1)[N@H+]1CCCC[C@H]1C ZINC001464201022 1068654358 /nfs/dbraw/zinc/65/43/58/1068654358.db2.gz QVYUPXOLIZGDEF-SJORKVTESA-N 1 1 458.400 4.694 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2cnn3cccc(Br)c23)C1 ZINC001464205403 1068656264 /nfs/dbraw/zinc/65/62/64/1068656264.db2.gz TWKYAUAZGQPXMQ-CALCHBBNSA-N 1 1 455.400 4.505 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)Cc3csc(CCC(F)(F)F)n3)cc2)C1 ZINC001464210382 1068659283 /nfs/dbraw/zinc/65/92/83/1068659283.db2.gz KAXXCBLWGXWXFL-CALCHBBNSA-N 1 1 453.574 4.975 20 0 JJADMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001464230847 1068667000 /nfs/dbraw/zinc/66/70/00/1068667000.db2.gz KLCAWYBTRIXBCY-IAGOWNOFSA-N 1 1 450.764 4.646 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NS(=O)(=O)c2ccc(CC(C)C)cc2)cc1 ZINC001464235716 1068668394 /nfs/dbraw/zinc/66/83/94/1068668394.db2.gz SBSBDEMPMFLFTQ-WUFINQPMSA-N 1 1 478.658 4.840 20 0 JJADMO CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC001464258112 1068678445 /nfs/dbraw/zinc/67/84/45/1068678445.db2.gz SPTKAIDGXNZUQI-ILBGXUMGSA-N 1 1 457.014 4.918 20 0 JJADMO O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC001464281089 1068689357 /nfs/dbraw/zinc/68/93/57/1068689357.db2.gz KWNGEBBKMDATRZ-UPVQGACJSA-N 1 1 458.021 4.687 20 0 JJADMO CN(C)c1[nH+]cnc2c1cc(C(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)n2C ZINC001464292200 1068694316 /nfs/dbraw/zinc/69/43/16/1068694316.db2.gz FPGSHKXSUUGFDL-UHFFFAOYSA-N 1 1 454.361 4.861 20 0 JJADMO O=S(=O)(CCCc1ccc(C(F)(F)F)cc1)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001464298009 1068696343 /nfs/dbraw/zinc/69/63/43/1068696343.db2.gz SRXWIQPMBGKQGF-QFIPXVFZSA-N 1 1 454.558 4.612 20 0 JJADMO CC(C)COc1cccc(NC(=O)[C@@H](C[N@@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)c1 ZINC001464300915 1068697698 /nfs/dbraw/zinc/69/76/98/1068697698.db2.gz QORPQRIIEKCLFL-HSZRJFAPSA-N 1 1 455.599 4.685 20 0 JJADMO COc1cc([C@H](C)NC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OCc1ccccc1 ZINC001464329893 1068708016 /nfs/dbraw/zinc/70/80/16/1068708016.db2.gz ICTOOMDWJMCPIB-LMMUWCHVSA-N 1 1 454.611 4.585 20 0 JJADMO COc1cc([C@H](C)NC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OCc1ccccc1 ZINC001464329893 1068708034 /nfs/dbraw/zinc/70/80/34/1068708034.db2.gz ICTOOMDWJMCPIB-LMMUWCHVSA-N 1 1 454.611 4.585 20 0 JJADMO O=C(CCc1cccc(F)c1Br)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC001464332867 1068709732 /nfs/dbraw/zinc/70/97/32/1068709732.db2.gz XXMPFVGXZJQGGV-UHFFFAOYSA-N 1 1 455.318 4.580 20 0 JJADMO CC(C)OCc1ccc(NC(=O)[C@H](C[N@@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC001464422891 1068740444 /nfs/dbraw/zinc/74/04/44/1068740444.db2.gz YCWAWFWLDQOXJZ-QHCPKHFHSA-N 1 1 455.599 4.575 20 0 JJADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3cc(Br)c4ccccc4c3)c2)CCO1 ZINC001464426588 1068741099 /nfs/dbraw/zinc/74/10/99/1068741099.db2.gz WSTHIUTXNSUSDG-KRWDZBQOSA-N 1 1 453.380 4.753 20 0 JJADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3cc(Br)c4ccccc4c3)c2)CCO1 ZINC001464426588 1068741109 /nfs/dbraw/zinc/74/11/09/1068741109.db2.gz WSTHIUTXNSUSDG-KRWDZBQOSA-N 1 1 453.380 4.753 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNS(=O)(=O)c2csnc2-c2ccccc2)CCCCC1 ZINC001464444092 1068748135 /nfs/dbraw/zinc/74/81/35/1068748135.db2.gz ZEZPVNVFZLJZRF-UHFFFAOYSA-N 1 1 455.649 4.923 20 0 JJADMO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC001464466250 1068756712 /nfs/dbraw/zinc/75/67/12/1068756712.db2.gz SZVUGFJFPOOURV-AIIPKAINSA-N 1 1 454.014 4.502 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)C1 ZINC001464469572 1068758450 /nfs/dbraw/zinc/75/84/50/1068758450.db2.gz QAMUOSDUPFQRNG-VWPQPMDRSA-N 1 1 451.696 4.970 20 0 JJADMO Cc1ccc(C(C)C)c(OCCC(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)c1 ZINC001464480257 1068761391 /nfs/dbraw/zinc/76/13/91/1068761391.db2.gz ZELWYZYCCKHTQO-UHFFFAOYSA-N 1 1 458.046 4.869 20 0 JJADMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC001464564846 1068783745 /nfs/dbraw/zinc/78/37/45/1068783745.db2.gz XSMFTWAFLBPXKJ-LJQANCHMSA-N 1 1 450.446 4.886 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCCCOc3ccc(Cl)cc3Cl)cc2)C[C@H](C)O1 ZINC001464580016 1068789867 /nfs/dbraw/zinc/78/98/67/1068789867.db2.gz LKXXCKGYWCQGFD-CALCHBBNSA-N 1 1 451.394 4.802 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCCCOc3ccc(Cl)cc3Cl)cc2)C[C@H](C)O1 ZINC001464580016 1068789871 /nfs/dbraw/zinc/78/98/71/1068789871.db2.gz LKXXCKGYWCQGFD-CALCHBBNSA-N 1 1 451.394 4.802 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)C1CCCCC1 ZINC001464667858 1068818038 /nfs/dbraw/zinc/81/80/38/1068818038.db2.gz OPXTUHLOKPPYOV-XMMPIXPASA-N 1 1 457.659 4.627 20 0 JJADMO C[C@@]1(NS(=O)(=O)/C=C/c2ccc(F)cc2)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001464693052 1068826941 /nfs/dbraw/zinc/82/69/41/1068826941.db2.gz VDMTXEALLDAEER-RTJJFHEVSA-N 1 1 450.579 4.774 20 0 JJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)n1 ZINC001164403330 718858765 /nfs/dbraw/zinc/85/87/65/718858765.db2.gz MHNXHJBSBNAXEE-MOPGFXCFSA-N 1 1 455.587 4.592 20 0 JJADMO FC1(F)CO[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164426251 718928201 /nfs/dbraw/zinc/92/82/01/718928201.db2.gz YTLCFBWCLGXYMB-MOPGFXCFSA-N 1 1 456.562 4.815 20 0 JJADMO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164630152 719095405 /nfs/dbraw/zinc/09/54/05/719095405.db2.gz VPVMXYCMZBVLMK-WOJBJXKFSA-N 1 1 455.940 4.838 20 0 JJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)n1 ZINC000216462312 719128650 /nfs/dbraw/zinc/12/86/50/719128650.db2.gz IHEXXIMCGXKLFP-UHFFFAOYSA-N 1 1 484.629 4.904 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCO[C@H]4[C@H]3CC[C@@H]4OCc3ccncc3)c2c1C ZINC001164649040 719294498 /nfs/dbraw/zinc/29/44/98/719294498.db2.gz GOVMTJSLFXEAOL-SLSDLSHTSA-N 1 1 493.677 4.642 20 0 JJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(-c3cccnc3)nc3sc4c(c31)CCC4)CC2 ZINC001164652053 719314998 /nfs/dbraw/zinc/31/49/98/719314998.db2.gz MLVIAEXPARAJNM-UHFFFAOYSA-N 1 1 473.650 4.644 20 0 JJADMO Cc1nc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164655450 719316953 /nfs/dbraw/zinc/31/69/53/719316953.db2.gz XNCBXZRIEKNFET-UHFFFAOYSA-N 1 1 453.034 4.739 20 0 JJADMO CCOC[C@H]1CN(c2nc(C[NH+](CC)CC)nc3sc(C)c(C)c32)Cc2nn(CC3CC3)cc21 ZINC001164663098 719364132 /nfs/dbraw/zinc/36/41/32/719364132.db2.gz IDIDBLCXASHGFS-HXUWFJFHSA-N 1 1 482.698 4.897 20 0 JJADMO Fc1ccc(CN2CCOCC23CCN(c2ccc4c(n2)CC[N@H+](Cc2ccccc2)C4)CC3)cc1 ZINC001164671308 719501883 /nfs/dbraw/zinc/50/18/83/719501883.db2.gz DQPQACHOTFEYPJ-UHFFFAOYSA-N 1 1 486.635 4.650 20 0 JJADMO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)nc4cc(Cl)ccc42)CC3)cc1 ZINC001164674524 719508083 /nfs/dbraw/zinc/50/80/83/719508083.db2.gz YYZKIVPSSMXFNE-UHFFFAOYSA-N 1 1 461.368 4.947 20 0 JJADMO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)nc4cc(Cl)ccc42)CC3)cc1 ZINC001164674524 719508092 /nfs/dbraw/zinc/50/80/92/719508092.db2.gz YYZKIVPSSMXFNE-UHFFFAOYSA-N 1 1 461.368 4.947 20 0 JJADMO Cc1nc(CN2C(=O)CCC23CCN(c2ccc4c(n2)CC[N@H+](Cc2ccccc2)C4)CC3)cs1 ZINC001164685686 719593448 /nfs/dbraw/zinc/59/34/48/719593448.db2.gz LYBKQGDCYSUIBP-UHFFFAOYSA-N 1 1 487.673 4.566 20 0 JJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)ccc2C(=O)NC(C)(C)C)CC3)cs1 ZINC001164692616 719810462 /nfs/dbraw/zinc/81/04/62/719810462.db2.gz LKOTXWRBMNIJPR-UHFFFAOYSA-N 1 1 462.063 4.663 20 0 JJADMO CCOC(=O)c1cc2ccccc2nc1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164692181 719811181 /nfs/dbraw/zinc/81/11/81/719811181.db2.gz NDBROAMZNBNNTM-UHFFFAOYSA-N 1 1 450.608 4.811 20 0 JJADMO COc1ccc(-c2ccc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)nn2)c(OC)c1OC ZINC001164693121 719815598 /nfs/dbraw/zinc/81/55/98/719815598.db2.gz UVRYLUWHLDQSQF-UHFFFAOYSA-N 1 1 495.649 4.569 20 0 JJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCn4c(-c5ccc(C(N)=O)cc5)cnc43)CC2)nc1 ZINC001164697387 719830604 /nfs/dbraw/zinc/83/06/04/719830604.db2.gz NXISMNAGGUBOCX-VWLOTQADSA-N 1 1 498.675 4.923 20 0 JJADMO Cc1ccc(-c2nc3c(ncnc3N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)o2)cc1 ZINC001164707507 719898635 /nfs/dbraw/zinc/89/86/35/719898635.db2.gz RYZSTYIYCMRCHX-UHFFFAOYSA-N 1 1 461.591 4.526 20 0 JJADMO Cc1ccc(-c2nc3c(ncnc3N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)o2)cc1 ZINC001164707507 719898638 /nfs/dbraw/zinc/89/86/38/719898638.db2.gz RYZSTYIYCMRCHX-UHFFFAOYSA-N 1 1 461.591 4.526 20 0 JJADMO c1csc(C[N@@H+]2CCOC3(CCN(c4nccc(SCc5ccccc5)n4)CC3)C2)c1 ZINC001164707731 719905383 /nfs/dbraw/zinc/90/53/83/719905383.db2.gz WPDZCPXXUYBILM-UHFFFAOYSA-N 1 1 452.649 4.702 20 0 JJADMO c1csc(C[N@H+]2CCOC3(CCN(c4nccc(SCc5ccccc5)n4)CC3)C2)c1 ZINC001164707731 719905399 /nfs/dbraw/zinc/90/53/99/719905399.db2.gz WPDZCPXXUYBILM-UHFFFAOYSA-N 1 1 452.649 4.702 20 0 JJADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3nc(C(=O)Nc4cccc(OC)c4)sc3CC2)nc1 ZINC001164715025 720088490 /nfs/dbraw/zinc/08/84/90/720088490.db2.gz XYYDNPZLZLQBEZ-QHCPKHFHSA-N 1 1 491.661 4.951 20 0 JJADMO COc1cccc(NC(=O)c2nc3c(s2)CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)CC3)c1 ZINC001164713924 720089036 /nfs/dbraw/zinc/08/90/36/720089036.db2.gz VEXGQBVDSAAWFF-UHFFFAOYSA-N 1 1 498.052 4.653 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3ccc(Cl)cc31)CC2 ZINC001164712513 720094775 /nfs/dbraw/zinc/09/47/75/720094775.db2.gz WKXCLCBINWCMAK-IBGZPJMESA-N 1 1 472.420 4.839 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc3ncnc(Cl)c3c1)CC2 ZINC001164716888 720110411 /nfs/dbraw/zinc/11/04/11/720110411.db2.gz LEEFJXUNIXEXFT-HXUWFJFHSA-N 1 1 487.982 4.731 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)ncc1OCc1ccccc1)CC2 ZINC001164718593 720120127 /nfs/dbraw/zinc/12/01/27/720120127.db2.gz SYDZNENBVOWTBE-QHCPKHFHSA-N 1 1 494.039 4.612 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)C2 ZINC001164812537 720124361 /nfs/dbraw/zinc/12/43/61/720124361.db2.gz PHLIMYYUGJLJMN-BTYIYWSLSA-N 1 1 471.379 4.666 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3cc(Cl)c(Cl)cc31)CC2 ZINC001164711227 720131029 /nfs/dbraw/zinc/13/10/29/720131029.db2.gz GFHRWQNMGWHXLX-SFHVURJKSA-N 1 1 472.420 4.839 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccc3F)nc3ccc(C)cc31)C2 ZINC001164806995 720131825 /nfs/dbraw/zinc/13/18/25/720131825.db2.gz ADBFZMCALFBGAM-PIKZIKFNSA-N 1 1 460.597 4.929 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)C2 ZINC001164808224 720137473 /nfs/dbraw/zinc/13/74/73/720137473.db2.gz FAMNTRXKZNJBGR-AUSIDOKSSA-N 1 1 462.972 4.527 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(-c3ccccn3)nc3ccccc31)CC2 ZINC001164714607 720140087 /nfs/dbraw/zinc/14/00/87/720140087.db2.gz XOXXCJFNNXYFMD-QHCPKHFHSA-N 1 1 480.616 4.594 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(-c3cccc(Cl)c3)ncn1)CC2 ZINC001164710404 720145031 /nfs/dbraw/zinc/14/50/31/720145031.db2.gz AXKGGTDXZHOPHX-HSZRJFAPSA-N 1 1 464.013 4.700 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(-c3ccncc3)nc3sccc31)CC2 ZINC001164711298 720152005 /nfs/dbraw/zinc/15/20/05/720152005.db2.gz HBNGSADLOVLOAA-QFIPXVFZSA-N 1 1 486.645 4.656 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc3cccc(F)c31)CC2 ZINC001164711389 720157906 /nfs/dbraw/zinc/15/79/06/720157906.db2.gz BKMFSZSJXDOQNX-HXUWFJFHSA-N 1 1 454.977 4.930 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc3cc(F)c(OC)cc31)CC2 ZINC001164716094 720158239 /nfs/dbraw/zinc/15/82/39/720158239.db2.gz XPKMMWFQUKDYNR-FQEVSTJZSA-N 1 1 485.003 4.938 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nnc(-c3ccc(F)c(F)c3)c3ccccc31)C2 ZINC001164816257 720166490 /nfs/dbraw/zinc/16/64/90/720166490.db2.gz KNCBNBNKCBZRLE-CCLHPLFOSA-N 1 1 464.560 4.760 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C)nc3scc(-c4cccs4)c31)C2 ZINC001164816904 720170272 /nfs/dbraw/zinc/17/02/72/720170272.db2.gz NPVLIRRFZFHHCF-UUOWRZLLSA-N 1 1 454.665 4.913 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(CSC)nc3sc4c(c31)CCCC4)C2 ZINC001164818221 720170945 /nfs/dbraw/zinc/17/09/45/720170945.db2.gz SHIJFJXUMAFORW-CJAUYULYSA-N 1 1 472.724 4.618 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc(-c3ccc(F)c(Cl)c3)n1)C2 ZINC001164813658 720193992 /nfs/dbraw/zinc/19/39/92/720193992.db2.gz DDRXPYMBELTDDR-GAJHUEQPSA-N 1 1 465.400 4.774 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1ccccc1Cl)C2 ZINC001164810310 720197931 /nfs/dbraw/zinc/19/79/31/720197931.db2.gz BVSHKPYSXOQUCR-UZUQRXQVSA-N 1 1 463.409 4.760 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3cccc(C)c3)nnc1Cl)C2 ZINC001164814674 720204060 /nfs/dbraw/zinc/20/40/60/720204060.db2.gz WANOYKZHJLBOIF-RDPSFJRHSA-N 1 1 476.999 4.835 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)C2 ZINC001164814577 720206040 /nfs/dbraw/zinc/20/60/40/720206040.db2.gz UNYJOTWJEPDLMD-JPYJTQIMSA-N 1 1 454.005 4.734 20 0 JJADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3cc(-c4ccc(Cl)cc4)sc31)CCC2 ZINC001164813257 720237419 /nfs/dbraw/zinc/23/74/19/720237419.db2.gz MCQOLDSPQLVWQU-UHFFFAOYSA-N 1 1 495.052 4.819 20 0 JJADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3ccc(-c4ccccc4)cc3)nn1)CCC2 ZINC001164814489 720240624 /nfs/dbraw/zinc/24/06/24/720240624.db2.gz VLLQNXACPRAHKI-UHFFFAOYSA-N 1 1 480.616 4.618 20 0 JJADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(-c3ccccc3)nc(-c3cccs3)n1)CCC2 ZINC001164814049 720240876 /nfs/dbraw/zinc/24/08/76/720240876.db2.gz UENDBTBNBWWLOR-UHFFFAOYSA-N 1 1 486.645 4.679 20 0 JJADMO Cc1cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164812227 720242204 /nfs/dbraw/zinc/24/22/04/720242204.db2.gz DIAXXOGUCPTDSM-UHFFFAOYSA-N 1 1 494.643 4.926 20 0 JJADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCC[C@]5(CCN(CC6CC6)C5=O)C3)n2)CCC4)CC1 ZINC001164816992 720282048 /nfs/dbraw/zinc/28/20/48/720282048.db2.gz ATPZTISXVOBWBG-NDEPHWFRSA-N 1 1 493.721 4.641 20 0 JJADMO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721348 720352651 /nfs/dbraw/zinc/35/26/51/720352651.db2.gz BTQIMFQHDCQPDX-MSOLQXFVSA-N 1 1 450.320 4.730 20 0 JJADMO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164721348 720352655 /nfs/dbraw/zinc/35/26/55/720352655.db2.gz BTQIMFQHDCQPDX-MSOLQXFVSA-N 1 1 450.320 4.730 20 0 JJADMO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721354 720353546 /nfs/dbraw/zinc/35/35/46/720353546.db2.gz BTQIMFQHDCQPDX-ZWKOTPCHSA-N 1 1 450.320 4.730 20 0 JJADMO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164721354 720353550 /nfs/dbraw/zinc/35/35/50/720353550.db2.gz BTQIMFQHDCQPDX-ZWKOTPCHSA-N 1 1 450.320 4.730 20 0 JJADMO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723788 720390850 /nfs/dbraw/zinc/39/08/50/720390850.db2.gz HIHIYLPVDINWIL-ZWKOTPCHSA-N 1 1 450.320 4.730 20 0 JJADMO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164723788 720390855 /nfs/dbraw/zinc/39/08/55/720390855.db2.gz HIHIYLPVDINWIL-ZWKOTPCHSA-N 1 1 450.320 4.730 20 0 JJADMO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164729791 720393323 /nfs/dbraw/zinc/39/33/23/720393323.db2.gz WKMWJUQPGSGZCK-IRXDYDNUSA-N 1 1 450.320 4.730 20 0 JJADMO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730296 720394352 /nfs/dbraw/zinc/39/43/52/720394352.db2.gz WNEQGBJBSCLGNL-MSOLQXFVSA-N 1 1 450.320 4.730 20 0 JJADMO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730296 720394362 /nfs/dbraw/zinc/39/43/62/720394362.db2.gz WNEQGBJBSCLGNL-MSOLQXFVSA-N 1 1 450.320 4.730 20 0 JJADMO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3c3nc(C[NH+]4CCC(C)CC4)nc4sc5c(c43)CCC5)O2)n1 ZINC001164826133 720408261 /nfs/dbraw/zinc/40/82/61/720408261.db2.gz BTXKVKBHYGWPOO-AQNXPRMDSA-N 1 1 494.665 4.602 20 0 JJADMO Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)O2)n1 ZINC001164827556 720408540 /nfs/dbraw/zinc/40/85/40/720408540.db2.gz FZUVWVFMNHXIAO-UFYCRDLUSA-N 1 1 494.665 4.746 20 0 JJADMO Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3c3nc(C[NH+](C)C)nc4scc(-c5ccccc5)c43)O2)n1 ZINC001164828725 720409712 /nfs/dbraw/zinc/40/97/12/720409712.db2.gz KRAFZYNMQQUPIJ-AABGKKOBSA-N 1 1 476.606 4.610 20 0 JJADMO c1cncc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3c2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)c1 ZINC001164730923 720434797 /nfs/dbraw/zinc/43/47/97/720434797.db2.gz JUBFXCZRUVUPTN-FCHUYYIVSA-N 1 1 468.630 4.880 20 0 JJADMO CSCc1nc2sc3c(c2c(N2CC[C@H]4[C@@H]2CC[N@H+]4Cc2cccnc2)n1)CCCC3 ZINC001164734814 720439052 /nfs/dbraw/zinc/43/90/52/720439052.db2.gz UWDROGNGWYYASM-OALUTQOASA-N 1 1 451.665 4.681 20 0 JJADMO COc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164725796 720484726 /nfs/dbraw/zinc/48/47/26/720484726.db2.gz KLCKGIIHTIDOAG-VXKWHMMOSA-N 1 1 471.939 4.599 20 0 JJADMO COc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164725796 720484736 /nfs/dbraw/zinc/48/47/36/720484736.db2.gz KLCKGIIHTIDOAG-VXKWHMMOSA-N 1 1 471.939 4.599 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)CC[C@@H]21 ZINC001164833272 720521347 /nfs/dbraw/zinc/52/13/47/720521347.db2.gz CPBYNKUZGCEFKV-GJYPPUQNSA-N 1 1 478.950 4.542 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4scc(-c5ccccc5)c43)CC[C@@H]21 ZINC001164832470 720522963 /nfs/dbraw/zinc/52/29/63/720522963.db2.gz AVWXHCJLVKRGFB-GIWBLDEGSA-N 1 1 458.635 4.933 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4scc(-c5cccs5)c43)CC[C@@H]21 ZINC001164833293 720523338 /nfs/dbraw/zinc/52/33/38/720523338.db2.gz CYENEJKMEKMPIS-HBFSDRIKSA-N 1 1 464.664 4.994 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)CC[C@@H]21 ZINC001164832389 720523630 /nfs/dbraw/zinc/52/36/30/720523630.db2.gz ANUBNUWFASSRLL-NWSQWKLXSA-N 1 1 486.998 4.916 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842040 720538823 /nfs/dbraw/zinc/53/88/23/720538823.db2.gz WEOHCJJCKQGOSY-RIFZZMRRSA-N 1 1 478.950 4.542 20 0 JJADMO CSc1ccc(Oc2cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)ncn2)cc1 ZINC001164835176 720581969 /nfs/dbraw/zinc/58/19/69/720581969.db2.gz AHHMWKRCVTUKHZ-SXWKCWPCSA-N 1 1 464.639 4.565 20 0 JJADMO COc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@H](C[C@@H](Cn6cccn6)[N@H+]5C(C)C)C4)c23)cc1 ZINC001164843515 720600265 /nfs/dbraw/zinc/60/02/65/720600265.db2.gz XOKKSTZAZCMTQT-ZFGGDYGUSA-N 1 1 488.661 4.941 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(F)ccc3Oc3ccc(Cl)nn3)CC[C@@H]21 ZINC001164839745 720603450 /nfs/dbraw/zinc/60/34/50/720603450.db2.gz OGLNHXCWZOMVEA-IHPCNDPISA-N 1 1 470.980 4.636 20 0 JJADMO Cc1sc2nc(-c3cccnc3)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1C ZINC001164836142 720604419 /nfs/dbraw/zinc/60/44/19/720604419.db2.gz DVPPBORPQPWQJQ-XPWALMASSA-N 1 1 487.677 4.944 20 0 JJADMO COc1cccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)n2)c1 ZINC001164836584 720623699 /nfs/dbraw/zinc/62/36/99/720623699.db2.gz FUSROWKLSCJDJQ-QSEAXJEQSA-N 1 1 482.632 4.880 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cnc(Cl)nc3Oc3cccc(F)c3)CC[C@@H]21 ZINC001164838286 720642132 /nfs/dbraw/zinc/64/21/32/720642132.db2.gz KOWCUDXEJCALIN-LMNJBCLMSA-N 1 1 470.980 4.636 20 0 JJADMO COc1cc2c(cc1F)cc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164838815 720651835 /nfs/dbraw/zinc/65/18/35/720651835.db2.gz HRMDSADDELZYQM-BBTUJRGHSA-N 1 1 457.981 4.610 20 0 JJADMO CSc1nc(Cl)cc(C(F)(F)N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842649 720664391 /nfs/dbraw/zinc/66/43/91/720664391.db2.gz SXVPPPMUVNCWIK-QGZVFWFLSA-N 1 1 469.001 4.657 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccnc1C1SCCCS1)CC2 ZINC001164841057 720678677 /nfs/dbraw/zinc/67/86/77/720678677.db2.gz HIYDTWXGPQZQET-FQEVSTJZSA-N 1 1 456.681 4.605 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3c1ccn3Cc1cccc(F)c1)CC2 ZINC001164840413 720694483 /nfs/dbraw/zinc/69/44/83/720694483.db2.gz DMVIOVYAAMNVTN-RUZDIDTESA-N 1 1 485.607 4.879 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(C(=O)NC(C)(C)C)cc(Cl)n1)CC2 ZINC001164841290 720697087 /nfs/dbraw/zinc/69/70/87/720697087.db2.gz ISYDSPSPGJICAE-NRFANRHFSA-N 1 1 471.045 4.523 20 0 JJADMO Cc1nc(C(F)(F)N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(Cl)c1C ZINC001164843309 720699082 /nfs/dbraw/zinc/69/90/82/720699082.db2.gz NIPWCKGCVAKIOT-IBGZPJMESA-N 1 1 450.961 4.552 20 0 JJADMO COc1cccc(Oc2cncc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)n2)c1 ZINC001164841786 720703971 /nfs/dbraw/zinc/70/39/71/720703971.db2.gz XAENUMNTWVNLCW-QFIPXVFZSA-N 1 1 460.578 4.537 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(C(=O)N3CCCCC3)cc1Cl)CC2 ZINC001164842866 720714492 /nfs/dbraw/zinc/71/44/92/720714492.db2.gz ZOCVWCQFGHRADL-QHCPKHFHSA-N 1 1 483.056 4.621 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)CC2 ZINC001164842319 720724318 /nfs/dbraw/zinc/72/43/18/720724318.db2.gz YGFFJOYCSCNDEX-OAQYLSRUSA-N 1 1 472.029 4.950 20 0 JJADMO COc1ccc(Cc2c(C)nc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nc2C)cc1 ZINC001164838183 720724964 /nfs/dbraw/zinc/72/49/64/720724964.db2.gz HAVVYYPJNBTNBS-SANMLTNESA-N 1 1 486.660 4.953 20 0 JJADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1Cc2ccccc2C2(CCN(c3ncc(F)cn3)CC2)C1 ZINC001164836102 720737496 /nfs/dbraw/zinc/73/74/96/720737496.db2.gz AHOYSGXQFBOAAU-UHFFFAOYSA-N 1 1 451.977 4.953 20 0 JJADMO FC(F)(c1cnc(Cl)c(-c2ccc(Cl)cc2)c1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164749782 720806560 /nfs/dbraw/zinc/80/65/60/720806560.db2.gz UODUWPQINVOIDL-RBUKOAKNSA-N 1 1 492.357 4.732 20 0 JJADMO FC(F)(c1cnc(Cl)c(-c2ccc(Cl)cc2)c1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164749782 720806561 /nfs/dbraw/zinc/80/65/61/720806561.db2.gz UODUWPQINVOIDL-RBUKOAKNSA-N 1 1 492.357 4.732 20 0 JJADMO Clc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745140 720822345 /nfs/dbraw/zinc/82/23/45/720822345.db2.gz WPWFTVWSKLVHGO-PLMTUMEDSA-N 1 1 457.409 4.513 20 0 JJADMO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)cc1 ZINC001164745161 720836744 /nfs/dbraw/zinc/83/67/44/720836744.db2.gz MAELMRLXHVLCPK-ONBPZOJHSA-N 1 1 479.632 4.576 20 0 JJADMO COc1ccc2c(c1)nc(N1CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C1)cc2-c1ccccc1 ZINC001164740524 720847698 /nfs/dbraw/zinc/84/76/98/720847698.db2.gz CFJSUEBFZFXEPT-NDIVSWGXSA-N 1 1 494.643 4.881 20 0 JJADMO c1ncn(C[C@H]2C[C@H]3CN(c4ccc(-c5ccc(-c6ccccc6)cc5)nn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164752617 720852160 /nfs/dbraw/zinc/85/21/60/720852160.db2.gz SZEDINHPHQHKGD-YIKNKFAXSA-N 1 1 491.643 4.782 20 0 JJADMO Cc1nc([C@H]2COCCN2c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)cs1 ZINC001164747611 720865054 /nfs/dbraw/zinc/86/50/54/720865054.db2.gz IGZPSNSLIVFODE-LJQANCHMSA-N 1 1 451.621 4.763 20 0 JJADMO Fc1c(Cl)nccc1C(F)(F)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752901 720872864 /nfs/dbraw/zinc/87/28/64/720872864.db2.gz NJMNZAIAMYYYSG-XXBNENTESA-N 1 1 480.962 4.569 20 0 JJADMO CSc1nc2sccc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754835 720874125 /nfs/dbraw/zinc/87/41/25/720874125.db2.gz TXHHRKBHZXESMF-CJFMBICVSA-N 1 1 481.691 4.563 20 0 JJADMO Fc1ccc(C(F)(F)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1Cl ZINC001164754593 720875567 /nfs/dbraw/zinc/87/55/67/720875567.db2.gz SBTCTMMHSFHSLW-WMZHIEFXSA-N 1 1 480.962 4.569 20 0 JJADMO c1ccc(-c2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2)cc1 ZINC001164748416 720880785 /nfs/dbraw/zinc/88/07/85/720880785.db2.gz DRCONFLDLLWKDM-PXJZQJOASA-N 1 1 454.618 4.899 20 0 JJADMO c1ccc(-c2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2)cc1 ZINC001164748419 720880869 /nfs/dbraw/zinc/88/08/69/720880869.db2.gz DRCONFLDLLWKDM-YTMVLYRLSA-N 1 1 454.618 4.899 20 0 JJADMO Cc1cc2c(nc(Cl)nc2N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)s1 ZINC001164751635 720881947 /nfs/dbraw/zinc/88/19/47/720881947.db2.gz DAHMFMBANHZHIZ-NBGIEHNGSA-N 1 1 484.069 4.803 20 0 JJADMO Fc1cnc(Cl)cc1C(F)(F)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164756054 720888783 /nfs/dbraw/zinc/88/87/83/720888783.db2.gz OHBVJNUNSFAEQJ-WMZHIEFXSA-N 1 1 480.962 4.569 20 0 JJADMO Clc1ncc(-c2ccccc2)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755364 720890887 /nfs/dbraw/zinc/89/08/87/720890887.db2.gz LLCVUVQUEGCZDJ-RBJSKKJNSA-N 1 1 490.051 4.947 20 0 JJADMO Clc1ccccc1-c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164752724 720897145 /nfs/dbraw/zinc/89/71/45/720897145.db2.gz FXPPMOORADCFCS-FIPFOOKPSA-N 1 1 490.051 4.947 20 0 JJADMO Clc1ccccc1-c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164752731 720897414 /nfs/dbraw/zinc/89/74/14/720897414.db2.gz FXPPMOORADCFCS-NEKDWFFYSA-N 1 1 490.051 4.947 20 0 JJADMO Fc1cccc(Oc2cncc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)c1 ZINC001164756956 720898549 /nfs/dbraw/zinc/89/85/49/720898549.db2.gz SPJKESGYUFOUDB-FIPFOOKPSA-N 1 1 489.595 4.558 20 0 JJADMO Fc1cccc(Oc2cncc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)c1 ZINC001164756960 720898595 /nfs/dbraw/zinc/89/85/95/720898595.db2.gz SPJKESGYUFOUDB-QDPGVEIFSA-N 1 1 489.595 4.558 20 0 JJADMO c1ccc(COc2cccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)cc1 ZINC001164753881 720900396 /nfs/dbraw/zinc/90/03/96/720900396.db2.gz HOTQATZODNNQST-FIBWVYCGSA-N 1 1 484.644 4.811 20 0 JJADMO CC(C)(C)c1cc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755426 720903681 /nfs/dbraw/zinc/90/36/81/720903681.db2.gz MATNVNZNQGWEPT-RLWLMLJZSA-N 1 1 470.061 4.578 20 0 JJADMO Cc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)cc1Cl ZINC001164756247 720904732 /nfs/dbraw/zinc/90/47/32/720904732.db2.gz OTISDQBXQCRAOO-GBXCKJPGSA-N 1 1 461.437 4.847 20 0 JJADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164748999 720909882 /nfs/dbraw/zinc/90/98/82/720909882.db2.gz HFEIQHARWYNQTP-AJTFRIOCSA-N 1 1 484.088 4.886 20 0 JJADMO CC(C)c1ccc2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164748540 720911943 /nfs/dbraw/zinc/91/19/43/720911943.db2.gz GURXFGIMUSRABH-ABYGYWHVSA-N 1 1 471.649 4.903 20 0 JJADMO Cc1ccc(C)c(-c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)c1 ZINC001164749129 720916713 /nfs/dbraw/zinc/91/67/13/720916713.db2.gz HWVLUGKFZHARLR-PDDLMNHVSA-N 1 1 483.660 4.911 20 0 JJADMO CCc1ccc(-c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)cc1 ZINC001164747872 720921520 /nfs/dbraw/zinc/92/15/20/720921520.db2.gz DPHSJAISICEFML-FIBWVYCGSA-N 1 1 483.660 4.856 20 0 JJADMO CCN(c1ccccc1)c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164749098 720924853 /nfs/dbraw/zinc/92/48/53/720924853.db2.gz HSGAXAWGICVWQU-VIZCGCQYSA-N 1 1 498.675 4.785 20 0 JJADMO Cc1c(Cl)nc(C2CCC2)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747411 720934897 /nfs/dbraw/zinc/93/48/97/720934897.db2.gz CZEAOYVPIPANSK-WNCULLNHSA-N 1 1 482.072 4.856 20 0 JJADMO COc1cc2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2cc1F ZINC001164749085 720935278 /nfs/dbraw/zinc/93/52/78/720935278.db2.gz HROGDUJBBKXPJQ-FIPFOOKPSA-N 1 1 476.596 4.533 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(-c3ccc(C4OCCCO4)cc3)cn1)[C@H]2C ZINC001164859760 720991123 /nfs/dbraw/zinc/99/11/23/720991123.db2.gz MLMINDRSOZDSDU-FQEVSTJZSA-N 1 1 461.610 4.802 20 0 JJADMO Cc1sc2nc(CN3CCCCC3)nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c2c1C ZINC001164856305 721003893 /nfs/dbraw/zinc/00/38/93/721003893.db2.gz AXGLTFHVVWHFBP-LJQANCHMSA-N 1 1 481.714 4.912 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)[C@H]2C ZINC001164864763 721014263 /nfs/dbraw/zinc/01/42/63/721014263.db2.gz ZIZBOJRFOPFQLX-INIZCTEOSA-N 1 1 460.960 4.960 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncnc3cc(OCc4ccccc4)ccc31)[C@H]2C ZINC001164864826 721018735 /nfs/dbraw/zinc/01/87/35/721018735.db2.gz ZUQMQHPVUJDHJF-FQEVSTJZSA-N 1 1 456.594 4.827 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@]4(C[C@@H](OCc5ccccn5)CO4)C3)c2c1C ZINC001164760809 721031282 /nfs/dbraw/zinc/03/12/82/721031282.db2.gz DMCNFBGUOXGOSN-AMGIVPHBSA-N 1 1 493.677 4.644 20 0 JJADMO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866644 721079318 /nfs/dbraw/zinc/07/93/18/721079318.db2.gz UKFIPFWYPBJUTA-ROUUACIJSA-N 1 1 479.358 4.961 20 0 JJADMO Clc1ccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164865684 721085161 /nfs/dbraw/zinc/08/51/61/721085161.db2.gz OGZMMXVLZGBRNW-PKTZIBPZSA-N 1 1 471.992 4.825 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccc(-c5ccnc(Cl)c5)cc4)C[C@@H]3C2)cn1 ZINC001164769472 721097332 /nfs/dbraw/zinc/09/73/32/721097332.db2.gz ORECQLRQYWQGEV-SFTDATJTSA-N 1 1 457.956 4.639 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(-c5ccccc5)cc(-c5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164763651 721101334 /nfs/dbraw/zinc/10/13/34/721101334.db2.gz GMPIXMRIOLKMNO-DQEYMECFSA-N 1 1 450.590 4.502 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5ccc(F)cc5)nc5cc(Cl)ccc54)C[C@@H]3C2)cn1 ZINC001164763381 721153702 /nfs/dbraw/zinc/15/37/02/721153702.db2.gz FJEJLZFHFIZNQR-UXHICEINSA-N 1 1 476.987 4.781 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc5cc(OCc6ccccc6)ccc5n4)C[C@H]3C2)cn1 ZINC001164769075 721156130 /nfs/dbraw/zinc/15/61/30/721156130.db2.gz PHYMBTHHVFFANH-LOSJGSFVSA-N 1 1 453.590 4.506 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5ccccc5)nc5ccc(Cl)cc54)C[C@@H]3C2)cn1 ZINC001164773668 721157054 /nfs/dbraw/zinc/15/70/54/721157054.db2.gz YNYYZERBUJXQOM-RTWAWAEBSA-N 1 1 458.997 4.642 20 0 JJADMO c1ccc(-c2ccc(-c3ccc(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)nn3)cc2)cc1 ZINC001164876368 721162182 /nfs/dbraw/zinc/16/21/82/721162182.db2.gz LVUDVJZOHIXLLY-SXOMAYOGSA-N 1 1 463.585 4.685 20 0 JJADMO Fc1cccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)cnc2Cl)c1 ZINC001164879919 721169012 /nfs/dbraw/zinc/16/90/12/721169012.db2.gz VJWBITNNGUARRD-VXKWHMMOSA-N 1 1 488.941 4.961 20 0 JJADMO Fc1ccccc1-c1cc(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)cnc1Cl ZINC001164881006 721169311 /nfs/dbraw/zinc/16/93/11/721169311.db2.gz YTTRMDRGJSPZHU-WOJBJXKFSA-N 1 1 488.941 4.961 20 0 JJADMO c1ccc(Oc2ccc(-c3ccc(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@H]5C4)nn3)cc2)cc1 ZINC001164881092 721171406 /nfs/dbraw/zinc/17/14/06/721171406.db2.gz ZAAVGBHCQKQJOO-RPLLCQBOSA-N 1 1 479.584 4.811 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc5ccc(Cl)cc5c(-c5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164764985 721195863 /nfs/dbraw/zinc/19/58/63/721195863.db2.gz HJYXHVHCABCTJV-NHCUHLMSSA-N 1 1 458.997 4.642 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(-c5ccc(-c6ccccc6)cc5)nn4)C[C@@H]3C2)cn1 ZINC001164761326 721218232 /nfs/dbraw/zinc/21/82/32/721218232.db2.gz AMAYJGBDJOTCEO-UIOOFZCWSA-N 1 1 450.590 4.502 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(C5CC5)nc5scc(-c6ccccc6)c54)C[C@@H]3C2)cn1 ZINC001164763269 721220768 /nfs/dbraw/zinc/22/07/68/721220768.db2.gz FBKLSJTUVXMNJQ-YADHBBJMSA-N 1 1 470.646 4.928 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(F)cc5)c4)C[C@@H]3C2)cn1 ZINC001164770797 721224376 /nfs/dbraw/zinc/22/43/76/721224376.db2.gz OMBPSBFESVQETO-MOPGFXCFSA-N 1 1 475.946 4.778 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(-c5ccc(Oc6ccccc6)cc5)nn4)C[C@@H]3C2)cn1 ZINC001164762579 721226435 /nfs/dbraw/zinc/22/64/35/721226435.db2.gz LFIBMMZJXMRNFL-RPWUZVMVSA-N 1 1 466.589 4.628 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCn3c(COCC4CC4)cnc3[C@@H]2C)n1 ZINC001164873144 721242582 /nfs/dbraw/zinc/24/25/82/721242582.db2.gz PUGYAPPHTUHHTA-KRWDZBQOSA-N 1 1 468.671 4.854 20 0 JJADMO Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164762491 721246911 /nfs/dbraw/zinc/24/69/11/721246911.db2.gz LARDITWKIAHVEP-NHCUHLMSSA-N 1 1 471.983 4.947 20 0 JJADMO Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)cnc2Cl)c1 ZINC001164762498 721247241 /nfs/dbraw/zinc/24/72/41/721247241.db2.gz LARDITWKIAHVEP-SFTDATJTSA-N 1 1 471.983 4.947 20 0 JJADMO COc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)cnc2Cl)c1 ZINC001164763891 721247683 /nfs/dbraw/zinc/24/76/83/721247683.db2.gz NVXPTJVMCCTMTO-UXHICEINSA-N 1 1 487.982 4.647 20 0 JJADMO COc1cccc(-c2cc(C(F)(F)N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164763892 721247893 /nfs/dbraw/zinc/24/78/93/721247893.db2.gz NVXPTJVMCCTMTO-VQTJNVASSA-N 1 1 487.982 4.647 20 0 JJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)nc1 ZINC001164879781 721259599 /nfs/dbraw/zinc/25/95/99/721259599.db2.gz YXPVPXKZOPTIBC-BXTSTYNKSA-N 1 1 462.638 4.577 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)nc1 ZINC001164777705 721327442 /nfs/dbraw/zinc/32/74/42/721327442.db2.gz PJHAURXSJIDONU-JTHBVZDNSA-N 1 1 454.590 4.760 20 0 JJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)nc1 ZINC001164777704 721327687 /nfs/dbraw/zinc/32/76/87/721327687.db2.gz PJHAURXSJIDONU-GMAHTHKFSA-N 1 1 454.590 4.760 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3ccnn3C[C@H](COCc3csc(C)n3)C2)nc1 ZINC001164876313 721332322 /nfs/dbraw/zinc/33/23/22/721332322.db2.gz NYGKOXSREBHISU-PXDATVDWSA-N 1 1 480.682 4.833 20 0 JJADMO COc1cccc2c(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)cc(Cl)nc12 ZINC001164776435 721332449 /nfs/dbraw/zinc/33/24/49/721332449.db2.gz FKAZRLPRRQHXKK-RUZDIDTESA-N 1 1 471.001 4.621 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)cc3Cl)C2)C1 ZINC001164776640 721336836 /nfs/dbraw/zinc/33/68/36/721336836.db2.gz HKYWTSXGFSKNDE-HXUWFJFHSA-N 1 1 475.367 4.657 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)cc3Cl)C2)C1 ZINC001164776640 721336841 /nfs/dbraw/zinc/33/68/41/721336841.db2.gz HKYWTSXGFSKNDE-HXUWFJFHSA-N 1 1 475.367 4.657 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)C1 ZINC001164777355 721338256 /nfs/dbraw/zinc/33/82/56/721338256.db2.gz MGNZJSOAPXLKTE-VWLOTQADSA-N 1 1 468.001 4.521 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)C1 ZINC001164777355 721338259 /nfs/dbraw/zinc/33/82/59/721338259.db2.gz MGNZJSOAPXLKTE-VWLOTQADSA-N 1 1 468.001 4.521 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4ncc(Cl)nc4c3)C2)C1 ZINC001164779441 721340311 /nfs/dbraw/zinc/34/03/11/721340311.db2.gz TUUUWKVPNJUHNC-QHCPKHFHSA-N 1 1 491.970 4.552 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4ncc(Cl)nc4c3)C2)C1 ZINC001164779441 721340319 /nfs/dbraw/zinc/34/03/19/721340319.db2.gz TUUUWKVPNJUHNC-QHCPKHFHSA-N 1 1 491.970 4.552 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(-c4ccnc(Cl)c4)ccn3)C2)C1 ZINC001164777361 721342055 /nfs/dbraw/zinc/34/20/55/721342055.db2.gz GLIBMTAGNLRPDY-VWLOTQADSA-N 1 1 468.001 4.521 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(Cl)c(Cl)n3)C2)C1 ZINC001164777258 721349471 /nfs/dbraw/zinc/34/94/71/721349471.db2.gz FFQIFMRVAFHEHA-HXUWFJFHSA-N 1 1 475.367 4.657 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(Cl)c(Cl)n3)C2)C1 ZINC001164777258 721349472 /nfs/dbraw/zinc/34/94/72/721349472.db2.gz FFQIFMRVAFHEHA-HXUWFJFHSA-N 1 1 475.367 4.657 20 0 JJADMO COc1cnc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c2cc(Cl)ccc12 ZINC001164777724 721350240 /nfs/dbraw/zinc/35/02/40/721350240.db2.gz HPMYQZREAMYQTQ-VWLOTQADSA-N 1 1 471.001 4.621 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ncc3-c3ccccc3)C2)C1 ZINC001164779763 721351258 /nfs/dbraw/zinc/35/12/58/721351258.db2.gz VXOAPIWJOCVWIH-RUZDIDTESA-N 1 1 468.001 4.521 20 0 JJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3[C@@H]2CC(=O)N3c2ccsc2)n1 ZINC001164882570 721359491 /nfs/dbraw/zinc/35/94/91/721359491.db2.gz JSRWBZSOOJQWJS-PMACEKPBSA-N 1 1 475.643 4.866 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4cccc(Cl)c4)nn3)C2)C1 ZINC001164780027 721366282 /nfs/dbraw/zinc/36/62/82/721366282.db2.gz CKIIRCKUANAEMK-VWLOTQADSA-N 1 1 468.001 4.521 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4cccc(Cl)c4)nn3)C2)C1 ZINC001164780027 721366286 /nfs/dbraw/zinc/36/62/86/721366286.db2.gz CKIIRCKUANAEMK-VWLOTQADSA-N 1 1 468.001 4.521 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C(C)(C)C)nc(C(C)C)n3)C2)C1 ZINC001164786189 721370129 /nfs/dbraw/zinc/37/01/29/721370129.db2.gz WSKDNAWKPDCMHA-SANMLTNESA-N 1 1 455.647 4.621 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(C4CCCCC4)n3)C2)C1 ZINC001164782513 721374529 /nfs/dbraw/zinc/37/45/29/721374529.db2.gz MELRUMLBHKKLGX-RUZDIDTESA-N 1 1 474.049 4.902 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(C4CCCCC4)n3)C2)C1 ZINC001164782513 721374531 /nfs/dbraw/zinc/37/45/31/721374531.db2.gz MELRUMLBHKKLGX-RUZDIDTESA-N 1 1 474.049 4.902 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3ccccc3C)C2)C1 ZINC001164785384 721374841 /nfs/dbraw/zinc/37/48/41/721374841.db2.gz RWNLOONAKDQTPF-SANMLTNESA-N 1 1 498.027 4.955 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3ccccc3C)C2)C1 ZINC001164785384 721374847 /nfs/dbraw/zinc/37/48/47/721374847.db2.gz RWNLOONAKDQTPF-SANMLTNESA-N 1 1 498.027 4.955 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3ccccc3C)C2)C1 ZINC001164785383 721375010 /nfs/dbraw/zinc/37/50/10/721375010.db2.gz RWNLOONAKDQTPF-AREMUKBSSA-N 1 1 498.027 4.955 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3ccccc3C)C2)C1 ZINC001164785383 721375016 /nfs/dbraw/zinc/37/50/16/721375016.db2.gz RWNLOONAKDQTPF-AREMUKBSSA-N 1 1 498.027 4.955 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3ccccc3)C2)C1 ZINC001164784586 721375229 /nfs/dbraw/zinc/37/52/29/721375229.db2.gz QMAXWEQCWIUWKR-VWLOTQADSA-N 1 1 484.000 4.646 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3ccccc3)C2)C1 ZINC001164784586 721375232 /nfs/dbraw/zinc/37/52/32/721375232.db2.gz QMAXWEQCWIUWKR-VWLOTQADSA-N 1 1 484.000 4.646 20 0 JJADMO COc1cc2cnc(Cl)cc2cc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164786178 721376930 /nfs/dbraw/zinc/37/69/30/721376930.db2.gz UFIJEKJPCAANQM-RUZDIDTESA-N 1 1 471.001 4.621 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(-c5ccnc(Cl)c5)cc4)C3)O2)CC1 ZINC001164890499 721396184 /nfs/dbraw/zinc/39/61/84/721396184.db2.gz NQTPZXGHEBGFCX-UKILVPOCSA-N 1 1 491.026 4.712 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(-c5ccccc5)cc(-c5ccccc5)n4)C3)O2)CC1 ZINC001164886791 721398542 /nfs/dbraw/zinc/39/85/42/721398542.db2.gz GIBPXZDIGQBJBJ-PDDLMNHVSA-N 1 1 483.660 4.576 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(-c5ccc(Cl)cc5)nc5ccccc54)C3)O2)CC1 ZINC001164892472 721409372 /nfs/dbraw/zinc/40/93/72/721409372.db2.gz YJBMYLCWTJJNJK-QDPGVEIFSA-N 1 1 492.067 4.716 20 0 JJADMO COc1ccc(-c2nc3ccc(Cl)cc3c(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)n2)cc1 ZINC001164781122 721415524 /nfs/dbraw/zinc/41/55/24/721415524.db2.gz BTOZLKDSIIFDTE-ROUUACIJSA-N 1 1 478.021 4.984 20 0 JJADMO Clc1ccc(-c2ccc(C3OCCCO3)c(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c2)cn1 ZINC001164783841 721420733 /nfs/dbraw/zinc/42/07/33/721420733.db2.gz JHIWSXZULPAMDQ-BGYRXZFFSA-N 1 1 483.037 4.862 20 0 JJADMO Clc1ccc(-c2ccc(C3OCCCO3)c(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c2)cn1 ZINC001164783841 721420736 /nfs/dbraw/zinc/42/07/36/721420736.db2.gz JHIWSXZULPAMDQ-BGYRXZFFSA-N 1 1 483.037 4.862 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5sc(-c6ccccc6)cc54)C3)O2)CC1 ZINC001164893734 721425551 /nfs/dbraw/zinc/42/55/51/721425551.db2.gz KDWFFYNPHVSOCJ-FQRUVTKNSA-N 1 1 498.096 4.777 20 0 JJADMO COCc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164787256 721431126 /nfs/dbraw/zinc/43/11/26/721431126.db2.gz PSICTJOCLZBRJB-HDICACEKSA-N 1 1 463.632 4.529 20 0 JJADMO COCc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164787256 721431131 /nfs/dbraw/zinc/43/11/31/721431131.db2.gz PSICTJOCLZBRJB-HDICACEKSA-N 1 1 463.632 4.529 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(-c5ccccc5)c5ccccc5n4)C3)O2)CC1 ZINC001164899169 721432322 /nfs/dbraw/zinc/43/23/22/721432322.db2.gz YAAZWXULUYYXPW-PWUYWRBVSA-N 1 1 456.634 4.667 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c3ccccc32)cc1C ZINC001164890249 721434284 /nfs/dbraw/zinc/43/42/84/721434284.db2.gz CSMJMXNTEQUHPQ-QCDSWUKFSA-N 1 1 485.676 4.679 20 0 JJADMO COc1ccc2c(c1)nc(N1CC[C@@]3(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O3)cc2-c1ccccc1 ZINC001164898358 721434732 /nfs/dbraw/zinc/43/47/32/721434732.db2.gz VTJKIZXKHANZFB-SETSBSEESA-N 1 1 486.660 4.676 20 0 JJADMO Cc1sc2nc(-c3cccs3)nc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2c1C ZINC001164898658 721434885 /nfs/dbraw/zinc/43/48/85/721434885.db2.gz WINMSNYVUOKIIF-FNZWTVRRSA-N 1 1 497.734 4.802 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(-c5ccccc5)nc(-c5cccs5)n4)C3)O2)CC1 ZINC001164897370 721440867 /nfs/dbraw/zinc/44/08/67/721440867.db2.gz TWSBSZJGEXAZEA-LXFBAYGMSA-N 1 1 489.689 4.638 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(-c6ccccc6)cc5)nn4)C3)O2)CC1 ZINC001164890729 721441565 /nfs/dbraw/zinc/44/15/65/721441565.db2.gz DPYQSYAUDKNMDC-FIBWVYCGSA-N 1 1 483.660 4.576 20 0 JJADMO Cc1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164898772 721442538 /nfs/dbraw/zinc/44/25/38/721442538.db2.gz WYGPKPUVXONFHF-QCENPCRXSA-N 1 1 497.687 4.884 20 0 JJADMO Cc1cc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164898770 721443005 /nfs/dbraw/zinc/44/30/05/721443005.db2.gz WYGPKPUVXONFHF-MVSFAKPFSA-N 1 1 497.687 4.884 20 0 JJADMO Cc1nc(COC[C@H]2CCC[C@]23CN(c2nc(Cl)ccc2C[NH+]2CCCC2)CCO3)cs1 ZINC001164788184 721443907 /nfs/dbraw/zinc/44/39/07/721443907.db2.gz ZGNLBOPJKURZFP-YKSBVNFPSA-N 1 1 477.074 4.688 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1ccc3c(Cl)ncnc3c1)CC2 ZINC001164785932 721453546 /nfs/dbraw/zinc/45/35/46/721453546.db2.gz ITNSCIFHDIZMHA-HXUWFJFHSA-N 1 1 495.014 4.562 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)nc3ccsc31)CC2 ZINC001164785299 721456129 /nfs/dbraw/zinc/45/61/29/721456129.db2.gz IIJVSCATFHWQHF-SFHVURJKSA-N 1 1 450.048 4.684 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3c(Cl)cccc31)CC2 ZINC001164789855 721458566 /nfs/dbraw/zinc/45/85/66/721458566.db2.gz XSLXOVOFVUTWLQ-SFHVURJKSA-N 1 1 479.452 4.671 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1ccc(Cl)c(Cl)n1)CC2 ZINC001164784707 721459523 /nfs/dbraw/zinc/45/95/23/721459523.db2.gz JSACXCXWPFYLTN-KRWDZBQOSA-N 1 1 478.411 4.667 20 0 JJADMO CC(C)C(=O)N1CC[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CC[C@@H](C)C5)CC[C@@H]21 ZINC001164887619 721465350 /nfs/dbraw/zinc/46/53/50/721465350.db2.gz CYGIMMVWWQMWQP-URVUXULASA-N 1 1 495.737 4.885 20 0 JJADMO CC(C)C(=O)N1CC[C@H]2CN(c3nc(C[NH+](C)C)nc4scc(-c5ccccc5)c43)CC[C@@H]21 ZINC001164894669 721467085 /nfs/dbraw/zinc/46/70/85/721467085.db2.gz XGFLDTDZNFNKBF-FPOVZHCZSA-N 1 1 463.651 4.503 20 0 JJADMO CC(C)C(=O)N1CC[C@@H]2CN(c3nc(C[NH+](C)C)nc4scc(-c5ccccc5)c43)CC[C@H]21 ZINC001164894671 721467315 /nfs/dbraw/zinc/46/73/15/721467315.db2.gz XGFLDTDZNFNKBF-TZIWHRDSSA-N 1 1 463.651 4.503 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3cccc(Cl)c3)nn1)CC2 ZINC001164789972 721467450 /nfs/dbraw/zinc/46/74/50/721467450.db2.gz PRAFMTKXXKQQOA-HSZRJFAPSA-N 1 1 471.045 4.531 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(Cl)nc1-c1ccccc1)CC2 ZINC001164788839 721468463 /nfs/dbraw/zinc/46/84/63/721468463.db2.gz LQWSANBSSIBFLU-QFIPXVFZSA-N 1 1 471.045 4.531 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(-c3ccc(Cl)nn3)ccc1F)CC2 ZINC001164787481 721469538 /nfs/dbraw/zinc/46/95/38/721469538.db2.gz GCKQMZYFRFSJEE-NRFANRHFSA-N 1 1 489.035 4.670 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC4(CC3)Cc3ccccc3CN(C)C4=O)c2c1C ZINC001164896778 721473497 /nfs/dbraw/zinc/47/34/97/721473497.db2.gz XYXJRNIPAHZFNS-UHFFFAOYSA-N 1 1 489.689 4.705 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)C1(c3ccnc(Cl)c3)CC1)CC2 ZINC001164787122 721473904 /nfs/dbraw/zinc/47/39/04/721473904.db2.gz CMYCOVMRPBDOAB-OAQYLSRUSA-N 1 1 484.031 4.589 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)C1(c3ccnc(Cl)c3)CC1)CC2 ZINC001164787117 721474028 /nfs/dbraw/zinc/47/40/28/721474028.db2.gz CMYCOVMRPBDOAB-NRFANRHFSA-N 1 1 484.031 4.589 20 0 JJADMO CCOC[C@@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CC[C@H](C)C4)Cc2cnn(C)c21 ZINC001164789067 721477747 /nfs/dbraw/zinc/47/77/47/721477747.db2.gz ARBWJZPYIWKMPC-ICSRJNTNSA-N 1 1 494.709 4.676 20 0 JJADMO CNC(=O)N[C@@H]1CC2(CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)CC2)c2ccc(C)cc21 ZINC001164900390 721492228 /nfs/dbraw/zinc/49/22/28/721492228.db2.gz OVDPGPPLLREMCM-MUUNZHRXSA-N 1 1 495.671 4.860 20 0 JJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)ncc1OCc1ccccc1)CC2 ZINC001164792999 721495946 /nfs/dbraw/zinc/49/59/46/721495946.db2.gz YDQSFGPBWNNKMT-UHFFFAOYSA-N 1 1 464.013 4.985 20 0 JJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)CC2 ZINC001164796699 721498646 /nfs/dbraw/zinc/49/86/46/721498646.db2.gz VOYQFYVWCBBJOG-UHFFFAOYSA-N 1 1 456.368 4.690 20 0 JJADMO COc1ccc(Cn2cc3[nH]c(N4CCC5(CC([N@@H+](C)Cc6ccncc6)C5)CC4)ccc-3c2=O)cc1 ZINC001164795936 721499313 /nfs/dbraw/zinc/49/93/13/721499313.db2.gz NPIRCGQYAXFDBT-UHFFFAOYSA-N 1 1 497.643 4.522 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)[C@H]2CCCO[C@H]12 ZINC001164801385 721539083 /nfs/dbraw/zinc/53/90/83/721539083.db2.gz FDESGBHAOIPXEO-ZCNNSNEGSA-N 1 1 494.373 4.745 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)[C@H]2CCCO[C@H]12 ZINC001164801385 721539087 /nfs/dbraw/zinc/53/90/87/721539087.db2.gz FDESGBHAOIPXEO-ZCNNSNEGSA-N 1 1 494.373 4.745 20 0 JJADMO Cc1ccc(-c2csc3ncnc(N4C[C@H]([N@H+](C)Cc5cccnc5)[C@H]5OCCC[C@H]54)c23)cc1 ZINC001164805204 721547658 /nfs/dbraw/zinc/54/76/58/721547658.db2.gz LFORTMZELKUYAP-CUYJMHBOSA-N 1 1 471.630 4.930 20 0 JJADMO Cc1ccc(-c2csc3ncnc(N4C[C@H]([N@@H+](C)Cc5cccnc5)[C@H]5OCCC[C@H]54)c23)cc1 ZINC001164805204 721547661 /nfs/dbraw/zinc/54/76/61/721547661.db2.gz LFORTMZELKUYAP-CUYJMHBOSA-N 1 1 471.630 4.930 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)[C@@H]2CCCO[C@@H]12 ZINC001164809419 721558967 /nfs/dbraw/zinc/55/89/67/721558967.db2.gz XEBBSJNUUZFLAR-QWFCFKBJSA-N 1 1 494.373 4.745 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)[C@@H]2CCCO[C@@H]12 ZINC001164809419 721558969 /nfs/dbraw/zinc/55/89/69/721558969.db2.gz XEBBSJNUUZFLAR-QWFCFKBJSA-N 1 1 494.373 4.745 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3ccnc(Cl)c32)[C@@H]2CCCO[C@@H]12 ZINC001164801637 721562611 /nfs/dbraw/zinc/56/26/11/721562611.db2.gz GYYOLRVFGJYYFI-KCZVDYSFSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3ccnc(Cl)c32)[C@@H]2CCCO[C@@H]12 ZINC001164801637 721562615 /nfs/dbraw/zinc/56/26/15/721562615.db2.gz GYYOLRVFGJYYFI-KCZVDYSFSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4ccc(F)cc4)c32)[C@H]2CCCO[C@H]12 ZINC001164800318 721576171 /nfs/dbraw/zinc/57/61/71/721576171.db2.gz DTFNPFVSJZSHIH-ZDXQCDESSA-N 1 1 475.593 4.761 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4ccc(F)cc4)c32)[C@H]2CCCO[C@H]12 ZINC001164800318 721576175 /nfs/dbraw/zinc/57/61/75/721576175.db2.gz DTFNPFVSJZSHIH-ZDXQCDESSA-N 1 1 475.593 4.761 20 0 JJADMO COc1ccc(-c2csc3ncnc(N4C[C@H]([N@H+](C)Cc5cccnc5)[C@@H]5OCCC[C@H]54)c23)cc1 ZINC001164806658 721577121 /nfs/dbraw/zinc/57/71/21/721577121.db2.gz QOCWXCFPDLRNFD-GIFXNVAJSA-N 1 1 487.629 4.630 20 0 JJADMO COc1ccc(-c2csc3ncnc(N4C[C@H]([N@@H+](C)Cc5cccnc5)[C@@H]5OCCC[C@H]54)c23)cc1 ZINC001164806658 721577123 /nfs/dbraw/zinc/57/71/23/721577123.db2.gz QOCWXCFPDLRNFD-GIFXNVAJSA-N 1 1 487.629 4.630 20 0 JJADMO Cc1sc2nc(-c3cccnc3)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2c1C ZINC001164809490 721577355 /nfs/dbraw/zinc/57/73/55/721577355.db2.gz SMZRFHBRGBRYMN-WPFOTENUSA-N 1 1 486.645 4.633 20 0 JJADMO Cc1sc2nc(-c3cccnc3)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2c1C ZINC001164809490 721577358 /nfs/dbraw/zinc/57/73/58/721577358.db2.gz SMZRFHBRGBRYMN-WPFOTENUSA-N 1 1 486.645 4.633 20 0 JJADMO Cc1sc2nc(-c3cccnc3)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2c1C ZINC001164809487 721577646 /nfs/dbraw/zinc/57/76/46/721577646.db2.gz SMZRFHBRGBRYMN-AOHZBQACSA-N 1 1 486.645 4.633 20 0 JJADMO Cc1sc2nc(-c3cccnc3)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2c1C ZINC001164809487 721577650 /nfs/dbraw/zinc/57/76/50/721577650.db2.gz SMZRFHBRGBRYMN-AOHZBQACSA-N 1 1 486.645 4.633 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(-c3ccc(F)cc3)c3ccccc32)[C@@H]2CCCO[C@H]21 ZINC001164809580 721578619 /nfs/dbraw/zinc/57/86/19/721578619.db2.gz UAJDLUYJNKAAJZ-RGSZASNESA-N 1 1 469.564 4.699 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(-c3ccc(F)cc3)c3ccccc32)[C@@H]2CCCO[C@H]21 ZINC001164809580 721578621 /nfs/dbraw/zinc/57/86/21/721578621.db2.gz UAJDLUYJNKAAJZ-RGSZASNESA-N 1 1 469.564 4.699 20 0 JJADMO Cc1nc2scc(-c3cccs3)c2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164812292 721579032 /nfs/dbraw/zinc/57/90/32/721579032.db2.gz ZYPZHFDUFJUYMC-JTAQYXEDSA-N 1 1 477.659 4.991 20 0 JJADMO Cc1nc2scc(-c3cccs3)c2c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164812292 721579034 /nfs/dbraw/zinc/57/90/34/721579034.db2.gz ZYPZHFDUFJUYMC-JTAQYXEDSA-N 1 1 477.659 4.991 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccsc3)nc3ccccc32)[C@H]2CCCO[C@H]12 ZINC001164799362 721579931 /nfs/dbraw/zinc/57/99/31/721579931.db2.gz AZDFUEPYWXJBGJ-VXNXHJTFSA-N 1 1 457.603 4.622 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc(-c3ccc(Cl)nn3)c2)[C@H]2CCCO[C@@H]12 ZINC001164799278 721584491 /nfs/dbraw/zinc/58/44/91/721584491.db2.gz AJASNGZFYZYVFH-WMTXJRDZSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc(-c3ccc(Cl)nn3)c2)[C@H]2CCCO[C@@H]12 ZINC001164799278 721584492 /nfs/dbraw/zinc/58/44/92/721584492.db2.gz AJASNGZFYZYVFH-WMTXJRDZSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3c(ccnc3Cl)c2)[C@H]2CCCO[C@H]12 ZINC001164808218 721585363 /nfs/dbraw/zinc/58/53/63/721585363.db2.gz QBYVVEGGOICOAJ-BDTNDASRSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3c(ccnc3Cl)c2)[C@H]2CCCO[C@H]12 ZINC001164808218 721585367 /nfs/dbraw/zinc/58/53/67/721585367.db2.gz QBYVVEGGOICOAJ-BDTNDASRSA-N 1 1 458.940 4.696 20 0 JJADMO Cc1nc(-c2ccccc2Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1C ZINC001164811498 721585390 /nfs/dbraw/zinc/58/53/90/721585390.db2.gz XUBIPKIWRIHLOX-SGNDLWITSA-N 1 1 464.013 4.677 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)[C@H]2CCCO[C@H]12 ZINC001164805830 721586581 /nfs/dbraw/zinc/58/65/81/721586581.db2.gz LZBCULMNLSCIPE-ZRBLBEILSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)[C@H]2CCCO[C@H]12 ZINC001164805830 721586583 /nfs/dbraw/zinc/58/65/83/721586583.db2.gz LZBCULMNLSCIPE-ZRBLBEILSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)n2)[C@H]2CCCO[C@@H]12 ZINC001164806954 721588299 /nfs/dbraw/zinc/58/82/99/721588299.db2.gz OFKIAJCDYIZOFM-MIZPHKNDSA-N 1 1 488.394 4.853 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)n2)[C@H]2CCCO[C@@H]12 ZINC001164806954 721588301 /nfs/dbraw/zinc/58/83/01/721588301.db2.gz OFKIAJCDYIZOFM-MIZPHKNDSA-N 1 1 488.394 4.853 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2cccc(Cl)c2)[C@H]2CCCO[C@@H]12 ZINC001164810858 721589628 /nfs/dbraw/zinc/58/96/28/721589628.db2.gz WLMUCOUBZIXDKU-KSEOMHKRSA-N 1 1 486.403 4.839 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2cccc(Cl)c2)[C@H]2CCCO[C@@H]12 ZINC001164810858 721589629 /nfs/dbraw/zinc/58/96/29/721589629.db2.gz WLMUCOUBZIXDKU-KSEOMHKRSA-N 1 1 486.403 4.839 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccccc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164808907 721589966 /nfs/dbraw/zinc/58/99/66/721589966.db2.gz ROCIHFSYCCHAMY-SYYKKAFVSA-N 1 1 486.403 4.839 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccccc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164808907 721589968 /nfs/dbraw/zinc/58/99/68/721589968.db2.gz ROCIHFSYCCHAMY-SYYKKAFVSA-N 1 1 486.403 4.839 20 0 JJADMO Cc1ccc(-c2cc(C(F)(F)N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c(Cl)nn2)cc1 ZINC001164804106 721591889 /nfs/dbraw/zinc/59/18/89/721591889.db2.gz IPODWJIAGAFIIV-HJOGWXRNSA-N 1 1 499.993 4.914 20 0 JJADMO Cc1ccc(-c2cc(C(F)(F)N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c(Cl)nn2)cc1 ZINC001164804106 721591891 /nfs/dbraw/zinc/59/18/91/721591891.db2.gz IPODWJIAGAFIIV-HJOGWXRNSA-N 1 1 499.993 4.914 20 0 JJADMO O=C(Nc1cccc(Cl)c1)C1=NO[C@]2(C1)CCCN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164804866 721605791 /nfs/dbraw/zinc/60/57/91/721605791.db2.gz ZWJSOROYWKDNNT-DEOSSOPVSA-N 1 1 488.419 4.738 20 0 JJADMO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908491 721692784 /nfs/dbraw/zinc/69/27/84/721692784.db2.gz ZLQQFYBICZJDCY-NRFANRHFSA-N 1 1 479.909 4.961 20 0 JJADMO FC1(F)CCN(c2cc(Cl)nc(Cc3ccccc3)n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906650 721698781 /nfs/dbraw/zinc/69/87/81/721698781.db2.gz NZFJKTKIPWRDSM-DEOSSOPVSA-N 1 1 469.967 4.854 20 0 JJADMO FC1(F)CCN(c2nccc(-c3c[nH]c4ccccc34)n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906660 721702851 /nfs/dbraw/zinc/70/28/51/721702851.db2.gz OEHCOQOPSYPMCR-RUZDIDTESA-N 1 1 460.532 4.758 20 0 JJADMO CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908598 721712423 /nfs/dbraw/zinc/71/24/23/721712423.db2.gz YGVSTFSDSAIGHY-QHCPKHFHSA-N 1 1 478.971 4.823 20 0 JJADMO FC1(F)CCN(c2ccc(-c3ccccc3Cl)nn2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904368 721713660 /nfs/dbraw/zinc/71/36/60/721713660.db2.gz CKHYXSVJGOPIAY-HSZRJFAPSA-N 1 1 455.940 4.930 20 0 JJADMO Fc1cccc(Oc2cncc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)c1 ZINC001164904908 721715601 /nfs/dbraw/zinc/71/56/01/721715601.db2.gz FLDJYOSHOGOLKX-HSZRJFAPSA-N 1 1 455.484 4.541 20 0 JJADMO FC1(F)CCN(c2cccc(OCc3ccccc3)n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907285 721717940 /nfs/dbraw/zinc/71/79/40/721717940.db2.gz QKWOMYXQSVBGRW-VWLOTQADSA-N 1 1 450.533 4.793 20 0 JJADMO CC(C)(C)c1noc(-c2ccnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2)n1 ZINC001164908904 721720230 /nfs/dbraw/zinc/72/02/30/721720230.db2.gz ZKJUQBWKLIPYOI-DEOSSOPVSA-N 1 1 468.552 4.562 20 0 JJADMO CC(C)n1ccc2c1nc(Cl)nc2N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906479 721720267 /nfs/dbraw/zinc/72/02/67/721720267.db2.gz MHYNGSUQWOQNKB-JOCHJYFZSA-N 1 1 460.960 4.798 20 0 JJADMO Fc1ccc(Oc2ccnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)cc1 ZINC001164910554 721728844 /nfs/dbraw/zinc/72/88/44/721728844.db2.gz FXNUVAIPKQCIEB-QHCPKHFHSA-N 1 1 455.484 4.541 20 0 JJADMO Fc1cccc(F)c1-c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164913732 721730118 /nfs/dbraw/zinc/73/01/18/721730118.db2.gz XDDRNBMSTBVWPG-HSZRJFAPSA-N 1 1 457.475 4.555 20 0 JJADMO CC(C)(C)OC(=O)c1cnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(Cl)c1 ZINC001164913067 721734939 /nfs/dbraw/zinc/73/49/39/721734939.db2.gz RWHKDKJLZABWSD-QHCPKHFHSA-N 1 1 478.971 4.823 20 0 JJADMO Cc1cc(-c2cccc(F)c2)nnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164911783 721735601 /nfs/dbraw/zinc/73/56/01/721735601.db2.gz KJDUGVMXDBTXFX-DEOSSOPVSA-N 1 1 453.512 4.724 20 0 JJADMO FC1(F)CCN(c2c(Cl)nc(Cl)nc2C2CC2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164909101 721737020 /nfs/dbraw/zinc/73/70/20/721737020.db2.gz BGLTYIJWVQBECV-HXUWFJFHSA-N 1 1 454.352 4.794 20 0 JJADMO FC1(F)CCN(c2c(Cl)nnc(Cl)c2N2CCCCC2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164912919 721739182 /nfs/dbraw/zinc/73/91/82/721739182.db2.gz RFDJPBCEWOWDFV-JOCHJYFZSA-N 1 1 497.421 4.906 20 0 JJADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)CC1 ZINC001165012392 721750511 /nfs/dbraw/zinc/75/05/11/721750511.db2.gz HCHOFPLKUBWLPM-UHFFFAOYSA-N 1 1 469.001 4.531 20 0 JJADMO CCOc1cc2ncnc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c2cc1OCC ZINC001164910136 721754195 /nfs/dbraw/zinc/75/41/95/721754195.db2.gz OBSFXRXUKZTLEU-UHFFFAOYSA-N 1 1 473.577 4.610 20 0 JJADMO CCOc1cc2ncnc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c2cc1OCC ZINC001164910136 721754196 /nfs/dbraw/zinc/75/41/96/721754196.db2.gz OBSFXRXUKZTLEU-UHFFFAOYSA-N 1 1 473.577 4.610 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)ncc1OCc1ccccc1)C2 ZINC001164910147 721755639 /nfs/dbraw/zinc/75/56/39/721755639.db2.gz OTSSJJVEWFCWIW-UHFFFAOYSA-N 1 1 475.980 4.892 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)ncc1OCc1ccccc1)C2 ZINC001164910147 721755641 /nfs/dbraw/zinc/75/56/41/721755641.db2.gz OTSSJJVEWFCWIW-UHFFFAOYSA-N 1 1 475.980 4.892 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3c(-c4ccccc4)nsc31)C2 ZINC001164912276 721761692 /nfs/dbraw/zinc/76/16/92/721761692.db2.gz XHFIPVIECGHCGU-UHFFFAOYSA-N 1 1 468.586 4.936 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3c(-c4ccccc4)nsc31)C2 ZINC001164912276 721761693 /nfs/dbraw/zinc/76/16/93/721761693.db2.gz XHFIPVIECGHCGU-UHFFFAOYSA-N 1 1 468.586 4.936 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)COC(=O)Nc1ccc(Cl)nc1)C2 ZINC001164912134 721765389 /nfs/dbraw/zinc/76/53/89/721765389.db2.gz SSNRMZIZUJGKGS-UHFFFAOYSA-N 1 1 491.926 4.555 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)COC(=O)Nc1ccc(Cl)nc1)C2 ZINC001164912134 721765392 /nfs/dbraw/zinc/76/53/92/721765392.db2.gz SSNRMZIZUJGKGS-UHFFFAOYSA-N 1 1 491.926 4.555 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC[C@H]4CN(C(=O)c5ccco5)C[C@@H]43)c2c1C ZINC001165017137 721772370 /nfs/dbraw/zinc/77/23/70/721772370.db2.gz QWWKCFUMDQRGAC-PMACEKPBSA-N 1 1 479.650 4.628 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc(Cl)c4ccccc4n3)C[C@H]21 ZINC001165019537 721801951 /nfs/dbraw/zinc/80/19/51/721801951.db2.gz CWPRSWNJBGATQC-LDQXTDLNSA-N 1 1 457.956 4.960 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccc4ncc(Cl)nc4c3)C[C@H]21 ZINC001165018821 721805385 /nfs/dbraw/zinc/80/53/85/721805385.db2.gz CKBXYFVIUIHVAN-ZWDAVXSWSA-N 1 1 457.956 4.960 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C(=O)NCc4ccccc4)cc(Cl)n3)C[C@H]21 ZINC001165026960 721805389 /nfs/dbraw/zinc/80/53/89/721805389.db2.gz SYDGXKIHUSFJFJ-FTBPSBKWSA-N 1 1 490.051 4.797 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C(=O)NCc4ccccc4)cc(Cl)n3)C[C@@H]21 ZINC001165026961 721805517 /nfs/dbraw/zinc/80/55/17/721805517.db2.gz SYDGXKIHUSFJFJ-GVXSCFBNSA-N 1 1 490.051 4.797 20 0 JJADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165026442 721809288 /nfs/dbraw/zinc/80/92/88/721809288.db2.gz QIKQIYKLAXUDNF-VLCRHTCISA-N 1 1 477.634 4.514 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3ccn4Cc3cccc(F)c3)C[C@H]21 ZINC001165022559 721814463 /nfs/dbraw/zinc/81/44/63/721814463.db2.gz FZCFNUBTIOAEFG-LPPUWEFUSA-N 1 1 470.596 4.751 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3ccc4cnc(Cl)nc4c3)C[C@H]21 ZINC001165025959 721816623 /nfs/dbraw/zinc/81/66/23/721816623.db2.gz OMUGZPXQEQDZDG-UCNVEGJOSA-N 1 1 457.956 4.960 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc(Oc4cccc(F)c4)n3)C[C@@H]21 ZINC001165018825 721818099 /nfs/dbraw/zinc/81/80/99/721818099.db2.gz AOIJOWQRGIGYQP-TYCQWZJGSA-N 1 1 468.964 4.588 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cccc4c(Cl)ncnc43)C[C@H]21 ZINC001165026731 721825559 /nfs/dbraw/zinc/82/55/59/721825559.db2.gz PWLWYZKOQDORAS-LDQXTDLNSA-N 1 1 457.956 4.960 20 0 JJADMO COc1ccc2nc(C(F)(F)N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nc(Cl)c2c1 ZINC001165026757 721825993 /nfs/dbraw/zinc/82/59/93/721825993.db2.gz QAUCNCRGQLDMRH-SAWYMBPVSA-N 1 1 487.982 4.969 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(-c4ccncc4)nc4sccc43)C[C@H]21 ZINC001165027083 721828817 /nfs/dbraw/zinc/82/88/17/721828817.db2.gz RUGCMWYNVGFDJB-WWPVKYPJSA-N 1 1 456.619 4.885 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)COC(=O)Nc3cccnc3Cl)C[C@@H]21 ZINC001165028227 721830214 /nfs/dbraw/zinc/83/02/14/721830214.db2.gz UYXRHOYFFAASPN-IMFGXOCKSA-N 1 1 479.959 4.504 20 0 JJADMO O=C1Nc2c(cccc2F)C12CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)CC2 ZINC001165020916 721833194 /nfs/dbraw/zinc/83/31/94/721833194.db2.gz FRQCICOUQKRYGJ-UHFFFAOYSA-N 1 1 491.636 4.795 20 0 JJADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2ccc3ncc(Cl)nc3c2)CC1 ZINC001165021410 721839298 /nfs/dbraw/zinc/83/92/98/721839298.db2.gz MKFHHADRTPYQJR-UHFFFAOYSA-N 1 1 476.955 4.946 20 0 JJADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)C2(c3ccc(Cl)nc3)CC2)CC1 ZINC001165031141 721845122 /nfs/dbraw/zinc/84/51/22/721845122.db2.gz UWZBQABJUJNSPI-UHFFFAOYSA-N 1 1 465.972 4.973 20 0 JJADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(CSc2ccccc2)nc2sc3c(c21)CCC3 ZINC001164934410 721879756 /nfs/dbraw/zinc/87/97/56/721879756.db2.gz RLNLGODVTXKLMM-NHCUHLMSSA-N 1 1 479.719 4.687 20 0 JJADMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(CSc2ccccc2)nc2sc3c(c21)CCC3 ZINC001164934410 721879758 /nfs/dbraw/zinc/87/97/58/721879758.db2.gz RLNLGODVTXKLMM-NHCUHLMSSA-N 1 1 479.719 4.687 20 0 JJADMO CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3CC[C@H]4[C@H]3CCC(=O)N4C)n2)CC1 ZINC001164934935 721893407 /nfs/dbraw/zinc/89/34/07/721893407.db2.gz UMCROLHWDMDEFB-RBUKOAKNSA-N 1 1 481.691 4.851 20 0 JJADMO O=C(C1=CC2(CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC2)c2ccccc21)N1CCCC1 ZINC001164930090 721899644 /nfs/dbraw/zinc/89/96/44/721899644.db2.gz ZONFEPVWNHYSIO-UHFFFAOYSA-N 1 1 477.052 4.888 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nccnc4C4SCCCS4)CC3)C2)cc1 ZINC001164938936 721924224 /nfs/dbraw/zinc/92/42/24/721924224.db2.gz CINMCRNNHQWDER-UHFFFAOYSA-N 1 1 456.681 4.525 20 0 JJADMO CCOc1ccc(-c2ccc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)nn2)cc1 ZINC001164939666 721932006 /nfs/dbraw/zinc/93/20/06/721932006.db2.gz NUAFVMKFJUONPQ-UHFFFAOYSA-N 1 1 458.606 4.722 20 0 JJADMO Clc1ccc2c(c1)[nH+]ccc2N1CCN(c2ncnc3c2CN(Cc2ccccc2)CC3)CC1 ZINC001165044595 721939840 /nfs/dbraw/zinc/93/98/40/721939840.db2.gz OGYHGTHBUPRIBH-UHFFFAOYSA-N 1 1 471.008 4.563 20 0 JJADMO COC[C@]12COC[C@@H]1CN(c1nc(C[NH+]3CCC(C)CC3)nc3scc(-c4cccs4)c31)C2 ZINC001164948181 721994857 /nfs/dbraw/zinc/99/48/57/721994857.db2.gz FBHOZHDSGFNRNU-AVRWGWEMSA-N 1 1 484.691 4.751 20 0 JJADMO COC[C@@]12COC[C@H]1CN(c1nc(C[NH+]3CCCCC3)nc3scc(-c4cccs4)c31)C2 ZINC001164952891 721995053 /nfs/dbraw/zinc/99/50/53/721995053.db2.gz QUIGITXYXGYZFZ-OSPHWJPCSA-N 1 1 470.664 4.505 20 0 JJADMO F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164962721 722022832 /nfs/dbraw/zinc/02/28/32/722022832.db2.gz RNHKAKVRQQEEOA-XMMPIXPASA-N 1 1 467.976 4.812 20 0 JJADMO c1cncc(C[N@H+]2CCC3(C2)CCN(c2nc(-c4cnccn4)nc4sc5c(c42)CCCC5)CC3)c1 ZINC001164964177 722023298 /nfs/dbraw/zinc/02/32/98/722023298.db2.gz VSEHFPWXSDVMNJ-UHFFFAOYSA-N 1 1 497.672 4.915 20 0 JJADMO Fc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164959940 722024507 /nfs/dbraw/zinc/02/45/07/722024507.db2.gz JUHIPAUXYZMTAR-UHFFFAOYSA-N 1 1 453.949 4.949 20 0 JJADMO Cc1cccc(COC[C@]23CCCO[C@H]2CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)C3)n1 ZINC001164964994 722026789 /nfs/dbraw/zinc/02/67/89/722026789.db2.gz YMMMMBMRYFOGJI-JYFHCDHNSA-N 1 1 471.045 4.627 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCO[C@@H]4[C@@H](Oc5ncccc5F)CC[C@@H]43)c2c1C ZINC001164958338 722029558 /nfs/dbraw/zinc/02/95/58/722029558.db2.gz ONOCDIHZWYNKRT-JTAQYXEDSA-N 1 1 497.640 4.643 20 0 JJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)nc1 ZINC001164963586 722038764 /nfs/dbraw/zinc/03/87/64/722038764.db2.gz QOEHEDZMSPBKJR-AFLFNGORSA-N 1 1 452.668 4.511 20 0 JJADMO C[C@H]1CCCCN1c1nc2ccccc2nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164961745 722059971 /nfs/dbraw/zinc/05/99/71/722059971.db2.gz OSEJWYIYPNYJFI-QHCPKHFHSA-N 1 1 486.664 4.523 20 0 JJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCn3c(COCc4cncc(C)c4)cnc3[C@H]2C)nc1 ZINC001164965028 722063430 /nfs/dbraw/zinc/06/34/30/722063430.db2.gz IDFHEYPJQSAJIF-PXDATVDWSA-N 1 1 460.626 4.826 20 0 JJADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@@H]5C[C@@H](C(=O)NC6CCC6)C[C@@H]5C4)c32)C1 ZINC001164978395 722085589 /nfs/dbraw/zinc/08/55/89/722085589.db2.gz YWFYSFDLPBROPX-YSTOQKLRSA-N 1 1 493.721 4.543 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3[C@@H](NC(=O)N(C)C)c4ccccc4[C@H]3C2)n1 ZINC001164979136 722097960 /nfs/dbraw/zinc/09/79/60/722097960.db2.gz HFLAEYVBPHHHOD-DPLHUUCSSA-N 1 1 492.693 4.696 20 0 JJADMO Cc1ccc2nc(-c3ccccc3F)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164980445 722125832 /nfs/dbraw/zinc/12/58/32/722125832.db2.gz REWDLKSZGNYJJL-AJTFRIOCSA-N 1 1 483.591 4.867 20 0 JJADMO FC(F)(c1cc2ccccc2nc1Cl)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975193 722131015 /nfs/dbraw/zinc/13/10/15/722131015.db2.gz FKCAVJHFHPOTAZ-UGKGYDQZSA-N 1 1 458.940 4.555 20 0 JJADMO Cc1nc2scc(-c3cccs3)c2c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164973215 722141519 /nfs/dbraw/zinc/14/15/19/722141519.db2.gz BNVAKLATDQXLAJ-CTNGQTDRSA-N 1 1 477.659 4.851 20 0 JJADMO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976032 722143418 /nfs/dbraw/zinc/14/34/18/722143418.db2.gz GRIIOCHNLCRHOA-FXAWDEMLSA-N 1 1 491.995 4.526 20 0 JJADMO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)s1 ZINC001164984258 722145983 /nfs/dbraw/zinc/14/59/83/722145983.db2.gz XATMAUYURSOCBL-ZJSXRUAMSA-N 1 1 471.630 4.789 20 0 JJADMO c1csc(-c2nc(-c3ccccc3)cc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164984950 722147271 /nfs/dbraw/zinc/14/72/71/722147271.db2.gz YLOFOTDLRQEFJS-UKILVPOCSA-N 1 1 483.641 4.994 20 0 JJADMO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973980 722155662 /nfs/dbraw/zinc/15/56/62/722155662.db2.gz NUYBPVHSNNGFMV-QPPBQGQZSA-N 1 1 480.012 4.607 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)nc1 ZINC001164992375 722186311 /nfs/dbraw/zinc/18/63/11/722186311.db2.gz WECIGBLAMSKCLR-DSITVLBTSA-N 1 1 469.699 4.653 20 0 JJADMO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995962 722204818 /nfs/dbraw/zinc/20/48/18/722204818.db2.gz QMRCDGSOKQAWGU-MHZLTWQESA-N 1 1 484.616 4.742 20 0 JJADMO COc1ccc(Cn2cc3[nH]c(N4CCC[C@@]5(CC[N@H+]5Cc5cccc(F)c5)C4)ccc-3c2=O)cc1 ZINC001164997297 722207301 /nfs/dbraw/zinc/20/73/01/722207301.db2.gz YVFILQFHLJILLQ-GDLZYMKVSA-N 1 1 486.591 4.630 20 0 JJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H](OCc4csc(C)n4)CO3)CC2)nc1 ZINC001165009041 722273229 /nfs/dbraw/zinc/27/32/29/722273229.db2.gz NIXCOXRSQSEIDU-XZOQPEGZSA-N 1 1 456.656 4.738 20 0 JJADMO CC(C)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001359712487 1064261042 /nfs/dbraw/zinc/26/10/42/1064261042.db2.gz VCKGXHIVJDSZJD-IFMALSPDSA-N 1 1 474.694 4.502 20 0 JJADMO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC001545850853 1064261635 /nfs/dbraw/zinc/26/16/35/1064261635.db2.gz SAXUWBMZFTZMMJ-PXDATVDWSA-N 1 1 450.966 4.745 20 0 JJADMO CC(C)c1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001359714850 1064262766 /nfs/dbraw/zinc/26/27/66/1064262766.db2.gz JJRQGIAGHWYOEO-QHCPKHFHSA-N 1 1 482.673 4.515 20 0 JJADMO CC(C)c1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001359714849 1064262872 /nfs/dbraw/zinc/26/28/72/1064262872.db2.gz JJRQGIAGHWYOEO-HSZRJFAPSA-N 1 1 482.673 4.515 20 0 JJADMO CC(C)c1nnc(N2CCN(c3cc(Cl)cc(C(F)(F)F)c3)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001359715931 1064264773 /nfs/dbraw/zinc/26/47/73/1064264773.db2.gz PRCDTAGYZCEDLF-UHFFFAOYSA-N 1 1 482.982 4.662 20 0 JJADMO CC(C)c1nnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001359716535 1064265258 /nfs/dbraw/zinc/26/52/58/1064265258.db2.gz KSBIPWCHGZKOFN-OAQYLSRUSA-N 1 1 478.607 4.867 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2Cc3ccccc3[C@H]2C)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001545857023 1064265408 /nfs/dbraw/zinc/26/54/08/1064265408.db2.gz NCOUGORGMNBUKJ-NHCUHLMSSA-N 1 1 466.674 4.932 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2Cc3ccccc3[C@H]2C)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001545857022 1064265445 /nfs/dbraw/zinc/26/54/45/1064265445.db2.gz NCOUGORGMNBUKJ-LEWJYISDSA-N 1 1 466.674 4.932 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@](C)(CC)C2)n1C[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001545865409 1064272862 /nfs/dbraw/zinc/27/28/62/1064272862.db2.gz AKQJEYSWOBMCOV-YWEHKCAJSA-N 1 1 480.701 4.660 20 0 JJADMO CC(C)c1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001359727102 1064273448 /nfs/dbraw/zinc/27/34/48/1064273448.db2.gz IVNMFQVTTAGEAW-FSSWDIPSSA-N 1 1 474.694 4.502 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(C)(C)CC2)n1C[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001545866079 1064275723 /nfs/dbraw/zinc/27/57/23/1064275723.db2.gz UQYADDRZYXTWTJ-DEOSSOPVSA-N 1 1 480.701 4.660 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccccc3)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001545870231 1064282909 /nfs/dbraw/zinc/28/29/09/1064282909.db2.gz JHETYALOQGEZKX-VXKWHMMOSA-N 1 1 480.701 4.701 20 0 JJADMO CC(C)[C@H]1CCCN(c2nnc(CC(C)(C)C)n2Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC001359732023 1064285662 /nfs/dbraw/zinc/28/56/62/1064285662.db2.gz WMQNVLVEJUWHCS-QFIPXVFZSA-N 1 1 453.675 4.620 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccc(F)cc3)C2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001545870839 1064286005 /nfs/dbraw/zinc/28/60/05/1064286005.db2.gz XZBJFWYZGSOQRA-QPPBQGQZSA-N 1 1 484.664 4.594 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccsc3)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001545872295 1064287848 /nfs/dbraw/zinc/28/78/48/1064287848.db2.gz MAAHPMZTFUMNRL-FQEVSTJZSA-N 1 1 486.730 4.762 20 0 JJADMO CC(C)[C@H]1CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001359733844 1064292086 /nfs/dbraw/zinc/29/20/86/1064292086.db2.gz HTQUUHJWWSMCQP-HSZRJFAPSA-N 1 1 453.675 4.978 20 0 JJADMO CC(C)[C@H]1CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001359733844 1064292103 /nfs/dbraw/zinc/29/21/03/1064292103.db2.gz HTQUUHJWWSMCQP-HSZRJFAPSA-N 1 1 453.675 4.978 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1C[C@@H]1CC[C@H](F)C1 ZINC001545875818 1064292680 /nfs/dbraw/zinc/29/26/80/1064292680.db2.gz HLNDORMJMWKVRK-WWNPGLIZSA-N 1 1 490.712 4.816 20 0 JJADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1nn(-c2ccccc2Cl)cc1C ZINC001545879855 1064295335 /nfs/dbraw/zinc/29/53/35/1064295335.db2.gz HZCMESFXNZPUTJ-FQEVSTJZSA-N 1 1 452.986 4.666 20 0 JJADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cnc(Cc2ccccc2F)s1 ZINC001545879864 1064295389 /nfs/dbraw/zinc/29/53/89/1064295389.db2.gz IHYICXYBOLBHOV-HXUWFJFHSA-N 1 1 453.583 4.705 20 0 JJADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H](C)Cc1ccc(Br)cc1 ZINC001545880301 1064296687 /nfs/dbraw/zinc/29/66/87/1064296687.db2.gz WOAGXPFOQKZHRO-PGRDOPGGSA-N 1 1 459.428 4.846 20 0 JJADMO CC(C)[C@H]1CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001359737807 1064300267 /nfs/dbraw/zinc/30/02/67/1064300267.db2.gz GVKRVIVRMGZNHY-RUZDIDTESA-N 1 1 496.744 4.805 20 0 JJADMO CC(C)[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001359739278 1064306490 /nfs/dbraw/zinc/30/64/90/1064306490.db2.gz PEHLQOZSJNZTQQ-LSDHHAIUSA-N 1 1 452.466 4.734 20 0 JJADMO CC(C)[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001359739516 1064307869 /nfs/dbraw/zinc/30/78/69/1064307869.db2.gz VWYURFSHAUECOH-SFHVURJKSA-N 1 1 477.495 4.650 20 0 JJADMO CC(C)[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001359739515 1064307936 /nfs/dbraw/zinc/30/79/36/1064307936.db2.gz VWYURFSHAUECOH-GOSISDBHSA-N 1 1 477.495 4.650 20 0 JJADMO CC(C)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001359743541 1064314212 /nfs/dbraw/zinc/31/42/12/1064314212.db2.gz MMOUUOOPXYUYLI-UHFFFAOYSA-N 1 1 487.136 4.668 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCc3sccc3C2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001545887156 1064323839 /nfs/dbraw/zinc/32/38/39/1064323839.db2.gz XEILWURWWSJXDN-UHFFFAOYSA-N 1 1 494.709 4.709 20 0 JJADMO CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@H+]2CCC[C@@H]2CO)CCS1 ZINC001359747476 1064328073 /nfs/dbraw/zinc/32/80/73/1064328073.db2.gz CJMHSLGWGYUOCG-KNQAVFIVSA-N 1 1 496.096 4.552 20 0 JJADMO CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@H+]2CCCC[C@H]2C)CCO1 ZINC001359747553 1064329004 /nfs/dbraw/zinc/32/90/04/1064329004.db2.gz DOLZSHPXGLABHP-CTNGQTDRSA-N 1 1 461.054 4.509 20 0 JJADMO CCc1cc(C(=O)Nc2ccc(C)c(NC(=O)C[NH+]3CCCCC3)c2)ccc1Br ZINC001434916891 1064344422 /nfs/dbraw/zinc/34/44/22/1064344422.db2.gz ZIBUPHGGGPRJCM-UHFFFAOYSA-N 1 1 458.400 4.997 20 0 JJADMO CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001359756372 1064353270 /nfs/dbraw/zinc/35/32/70/1064353270.db2.gz QGNDNWBYXWYYMZ-UNMCSNQZSA-N 1 1 490.490 4.689 20 0 JJADMO CC(C)C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC001359770923 1064402750 /nfs/dbraw/zinc/40/27/50/1064402750.db2.gz NMJAXLSMFBTDNE-LADGPHEKSA-N 1 1 454.707 4.554 20 0 JJADMO Cc1ccc(C(=O)N2CCSCC2)cc1OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CC(C)C ZINC001434990649 1064406823 /nfs/dbraw/zinc/40/68/23/1064406823.db2.gz WOIGKKWDUBSIHF-JWQCQUIFSA-N 1 1 480.674 4.884 20 0 JJADMO COc1ccc(-c2cncc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)c(Cl)c3)c2)c(C)c1 ZINC001434996638 1064411601 /nfs/dbraw/zinc/41/16/01/1064411601.db2.gz OTSJZYGHWAVYMT-UHFFFAOYSA-N 1 1 450.970 4.723 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001359775132 1064417038 /nfs/dbraw/zinc/41/70/38/1064417038.db2.gz JEJOREFZRSRTAB-QXOCJUHTSA-N 1 1 459.704 4.532 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@@H](CF)c2ccc(Br)cc2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001359776944 1064419811 /nfs/dbraw/zinc/41/98/11/1064419811.db2.gz WYMBVCQJMPBABS-XLIONFOSSA-N 1 1 489.437 4.845 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1CC(F)(F)Br ZINC001359777286 1064420508 /nfs/dbraw/zinc/42/05/08/1064420508.db2.gz FXMCQRSYZMYNSX-PKOBYXMFSA-N 1 1 484.433 4.954 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001359777404 1064421253 /nfs/dbraw/zinc/42/12/53/1064421253.db2.gz JGEUKUAQSLEVTP-TZBSWOFLSA-N 1 1 453.675 4.781 20 0 JJADMO CC(C)Cc1nnc(N(C)Cc2ccc(F)c(C(F)(F)F)c2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001359780153 1064428583 /nfs/dbraw/zinc/42/85/83/1064428583.db2.gz LYYLABRKGQDQKL-QGZVFWFLSA-N 1 1 464.511 4.730 20 0 JJADMO CC(C)Cc1nnc(N2C[C@H](c3ccccc3)C[C@H]2C)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359792751 1064450005 /nfs/dbraw/zinc/45/00/05/1064450005.db2.gz PBRFBVFCAHUICZ-PIATZUFCSA-N 1 1 453.675 4.747 20 0 JJADMO CC(C)Cc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001359794388 1064452505 /nfs/dbraw/zinc/45/25/05/1064452505.db2.gz WTWZYTFNMLCACG-ACIOBRDBSA-N 1 1 493.618 4.935 20 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CC(C)Cc1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001359812576 1064489343 /nfs/dbraw/zinc/48/93/43/1064489343.db2.gz OIWIZPWQFWULAN-OAQYLSRUSA-N 1 1 498.691 4.525 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001359814594 1064492651 /nfs/dbraw/zinc/49/26/51/1064492651.db2.gz KRQCBFYBQBYLGE-RXVVDRJESA-N 1 1 491.080 4.536 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1CC[C@@](C)(O)c1ccccc1 ZINC001359832184 1064515433 /nfs/dbraw/zinc/51/54/33/1064515433.db2.gz GJSKWGGSAODGPX-PRVBGKCFSA-N 1 1 467.702 4.865 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001359832979 1064517251 /nfs/dbraw/zinc/51/72/51/1064517251.db2.gz RQFCALBJQLHYTG-FCHUYYIVSA-N 1 1 476.710 4.577 20 0 JJADMO CC(C)Cc1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001359840856 1064527462 /nfs/dbraw/zinc/52/74/62/1064527462.db2.gz SRNLRGAYZCAXBQ-UHFFFAOYSA-N 1 1 498.691 4.623 20 0 JJADMO COc1cc(C)c([C@H](C)NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1OC ZINC001435123073 1064529102 /nfs/dbraw/zinc/52/91/02/1064529102.db2.gz MFXBSAFKAFYHFD-VLCRHTCISA-N 1 1 465.619 4.562 20 0 JJADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)[C@@H](C)C1 ZINC001435130572 1064535589 /nfs/dbraw/zinc/53/55/89/1064535589.db2.gz BCTWTZCGSIFLNQ-REWPJTCUSA-N 1 1 452.599 4.506 20 0 JJADMO CC(C)Cc1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359849840 1064536074 /nfs/dbraw/zinc/53/60/74/1064536074.db2.gz OVODQOGJCJKINE-OYRHEFFESA-N 1 1 488.671 4.838 20 0 JJADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC2)[C@H](C)C1 ZINC001435134464 1064538220 /nfs/dbraw/zinc/53/82/20/1064538220.db2.gz OZSIEDKFLJKZLP-WZONZLPQSA-N 1 1 459.034 4.578 20 0 JJADMO CC(C)Cc1nnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001359851815 1064538903 /nfs/dbraw/zinc/53/89/03/1064538903.db2.gz FZUCVNUHZUPXFX-NHCUHLMSSA-N 1 1 492.634 4.942 20 0 JJADMO C[S@@](=O)c1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1F ZINC001435142235 1064542425 /nfs/dbraw/zinc/54/24/25/1064542425.db2.gz MSCXSFZUSGKSDB-CWCNGCKHSA-N 1 1 450.579 4.592 20 0 JJADMO CC(C)Cc1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1CCCC[NH+]1CCC(C)CC1 ZINC001359860582 1064549400 /nfs/dbraw/zinc/54/94/00/1064549400.db2.gz JMKFHXZCURZZAR-VWLOTQADSA-N 1 1 466.718 4.699 20 0 JJADMO CC(C)Cc1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C[C@@H](C)Oc1ccc(Cl)cc1 ZINC001359861353 1064551062 /nfs/dbraw/zinc/55/10/62/1064551062.db2.gz SMARTMQBRLEKRQ-LJQANCHMSA-N 1 1 474.074 4.981 20 0 JJADMO CC(C)Cc1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1C[C@H](c1cccs1)[NH+](C)C ZINC001359861575 1064552296 /nfs/dbraw/zinc/55/22/96/1064552296.db2.gz ZOEDTTLRLHITLK-FYYLOGMGSA-N 1 1 466.699 4.552 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@H](c3cccc(Br)c3)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001359866297 1064556903 /nfs/dbraw/zinc/55/69/03/1064556903.db2.gz OUXPAZVQJXUFPD-KNQAVFIVSA-N 1 1 490.490 4.549 20 0 JJADMO C[C@@H]1CN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001435162746 1064558955 /nfs/dbraw/zinc/55/89/55/1064558955.db2.gz HIPZEBCEPXHWJB-NHCUHLMSSA-N 1 1 451.611 4.789 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001359866814 1064559099 /nfs/dbraw/zinc/55/90/99/1064559099.db2.gz ZZRHNWAMOHJBHI-QTEQDKRBSA-N 1 1 491.627 4.776 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001359869262 1064561688 /nfs/dbraw/zinc/56/16/88/1064561688.db2.gz VJAJYXKTKSADBU-HXUWFJFHSA-N 1 1 488.746 4.931 20 0 JJADMO CC(C)Cc1nnc(N2CCS[C@H](C(C)C)C2)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001359872350 1064563793 /nfs/dbraw/zinc/56/37/93/1064563793.db2.gz BUCTZDQBBGVGKC-ZJOUEHCJSA-N 1 1 465.708 4.729 20 0 JJADMO CC(C)Cc1nnc(N2CCS[C@H](C(C)C)C2)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001359872350 1064563806 /nfs/dbraw/zinc/56/38/06/1064563806.db2.gz BUCTZDQBBGVGKC-ZJOUEHCJSA-N 1 1 465.708 4.729 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC001435168802 1064564866 /nfs/dbraw/zinc/56/48/66/1064564866.db2.gz CHPUOXQYGZBELW-PQNGQFLHSA-N 1 1 475.555 4.828 20 0 JJADMO CC(C)C[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001359878735 1064570178 /nfs/dbraw/zinc/57/01/78/1064570178.db2.gz MNISABLYMLWHTB-OTNCWRBYSA-N 1 1 487.664 4.786 20 0 JJADMO CC(C)C[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001359879076 1064570694 /nfs/dbraw/zinc/57/06/94/1064570694.db2.gz OYKKQSJDLNPTJW-CLCZQPDDSA-N 1 1 475.722 4.559 20 0 JJADMO CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC[NH+]2CCOCC2)C1 ZINC001359882003 1064576273 /nfs/dbraw/zinc/57/62/73/1064576273.db2.gz UXMHLYLWHVOJHN-QFIPXVFZSA-N 1 1 453.675 4.837 20 0 JJADMO CC(C)C[C@@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2CC[N@@H+](C)C(C)C)C1 ZINC001359885439 1064580157 /nfs/dbraw/zinc/58/01/57/1064580157.db2.gz ARYKEOLDQAUZKP-IBGZPJMESA-N 1 1 478.479 4.832 20 0 JJADMO CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001359889211 1064587364 /nfs/dbraw/zinc/58/73/64/1064587364.db2.gz MWFOUJMNAOPZGV-DEOSSOPVSA-N 1 1 492.506 4.815 20 0 JJADMO CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001359894229 1064595345 /nfs/dbraw/zinc/59/53/45/1064595345.db2.gz MHTMIHJWIIVNQL-XTJBDQBJSA-N 1 1 475.703 4.652 20 0 JJADMO CC(C)CC[C@@](C)(O)Cn1c(CC(C)C)nnc1N1CCC[C@]2(C1)C[N@H+](Cc1ccccc1)CCO2 ZINC001359895644 1064597334 /nfs/dbraw/zinc/59/73/34/1064597334.db2.gz GFVFTOGBXBAYCX-FQLXRVMXSA-N 1 1 497.728 4.535 20 0 JJADMO CC(C)CC[C@@](C)(O)Cn1c(CC(C)C)nnc1N1CCC[C@]2(C1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001359895644 1064597352 /nfs/dbraw/zinc/59/73/52/1064597352.db2.gz GFVFTOGBXBAYCX-FQLXRVMXSA-N 1 1 497.728 4.535 20 0 JJADMO CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001359903605 1064618024 /nfs/dbraw/zinc/61/80/24/1064618024.db2.gz FWISWCRIHMKALX-JWQCQUIFSA-N 1 1 475.658 4.714 20 0 JJADMO CC(C)CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001359907613 1064623971 /nfs/dbraw/zinc/62/39/71/1064623971.db2.gz IYNMDCGPDHSDJZ-JOCHJYFZSA-N 1 1 474.694 4.503 20 0 JJADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)[C@@H](C)C1 ZINC001435249706 1064626660 /nfs/dbraw/zinc/62/66/60/1064626660.db2.gz XVTFTPCPHZPQSH-HRAATJIYSA-N 1 1 458.400 4.504 20 0 JJADMO C[C@H](NC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435250777 1064627699 /nfs/dbraw/zinc/62/76/99/1064627699.db2.gz DAZFSYULOHSQQF-GAJHUEQPSA-N 1 1 458.480 4.985 20 0 JJADMO C[C@H](NC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435250777 1064627705 /nfs/dbraw/zinc/62/77/05/1064627705.db2.gz DAZFSYULOHSQQF-GAJHUEQPSA-N 1 1 458.480 4.985 20 0 JJADMO COC(=O)Nc1ccc(CCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)cc1 ZINC001435253232 1064630269 /nfs/dbraw/zinc/63/02/69/1064630269.db2.gz NDRQGQPRYGBGKI-RRPNLBNLSA-N 1 1 471.601 4.748 20 0 JJADMO CC(C)CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@@H+](C)C1CCCCC1 ZINC001359914975 1064635602 /nfs/dbraw/zinc/63/56/02/1064635602.db2.gz SDJQSKHEGHEDFW-UHFFFAOYSA-N 1 1 451.457 4.783 20 0 JJADMO CC(C)CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001359921388 1064647075 /nfs/dbraw/zinc/64/70/75/1064647075.db2.gz GXJVEOWOPVNPGR-JWQCQUIFSA-N 1 1 483.701 4.560 20 0 JJADMO COc1ccc(-c2nc(COC(=O)c3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)cs2)cc1 ZINC001435272802 1064650418 /nfs/dbraw/zinc/65/04/18/1064650418.db2.gz LHPYUHLMARJAOT-HDICACEKSA-N 1 1 452.576 4.785 20 0 JJADMO COc1ccc(-c2nc(COC(=O)c3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)cs2)cc1 ZINC001435272802 1064650431 /nfs/dbraw/zinc/65/04/31/1064650431.db2.gz LHPYUHLMARJAOT-HDICACEKSA-N 1 1 452.576 4.785 20 0 JJADMO CC(C)CCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001359933766 1064676060 /nfs/dbraw/zinc/67/60/60/1064676060.db2.gz XKIMIJPPVUANJC-UZLBHIALSA-N 1 1 496.881 4.564 20 0 JJADMO O=C(NCCc1nc(C(F)(F)F)cs1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001435301272 1064676085 /nfs/dbraw/zinc/67/60/85/1064676085.db2.gz MARNTPZKXICWTM-IAGOWNOFSA-N 1 1 465.566 4.798 20 0 JJADMO CC(C)CCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001359933763 1064676273 /nfs/dbraw/zinc/67/62/73/1064676273.db2.gz XKIMIJPPVUANJC-OXJNMPFZSA-N 1 1 496.881 4.564 20 0 JJADMO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2nn(-c3ccccc3)cc2Br)CC1 ZINC001435309977 1064684098 /nfs/dbraw/zinc/68/40/98/1064684098.db2.gz QQECTWAZNVKPQD-OAQYLSRUSA-N 1 1 453.384 4.544 20 0 JJADMO Cc1nc(CC2CC2)sc1C(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001435315820 1064688518 /nfs/dbraw/zinc/68/85/18/1064688518.db2.gz JMCQROHZTPZHKX-LJQANCHMSA-N 1 1 451.558 4.931 20 0 JJADMO COc1cccc(CC(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)c1Cl ZINC001435316463 1064689140 /nfs/dbraw/zinc/68/91/40/1064689140.db2.gz OBCQZBUFPJQATP-SFHVURJKSA-N 1 1 454.920 4.804 20 0 JJADMO COc1cccc(CC(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)c1Cl ZINC001435316461 1064689188 /nfs/dbraw/zinc/68/91/88/1064689188.db2.gz OBCQZBUFPJQATP-GOSISDBHSA-N 1 1 454.920 4.804 20 0 JJADMO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c2cc(Br)ccc2n1 ZINC001435337015 1064707921 /nfs/dbraw/zinc/70/79/21/1064707921.db2.gz CAHHMKLEZNABIP-KSFYIVLOSA-N 1 1 452.396 4.946 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N(C)[C@H]3CCSC3)n2CC[N@@H+]2CC=CCC2)cc1 ZINC001359951214 1064708653 /nfs/dbraw/zinc/70/86/53/1064708653.db2.gz UFYRTSJNDCPCSE-QFIPXVFZSA-N 1 1 455.672 4.574 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(-c2cccc(Br)c2)no1 ZINC001435339315 1064709638 /nfs/dbraw/zinc/70/96/38/1064709638.db2.gz MZNAQRXZWVGSHP-UZLBHIALSA-N 1 1 454.368 4.745 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CC[C@H](C)[C@H](C)C3)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001359952145 1064714107 /nfs/dbraw/zinc/71/41/07/1064714107.db2.gz NVKVANRFTOYKIS-ZRBLBEILSA-N 1 1 469.674 4.573 20 0 JJADMO Cc1ccc(NC(=O)CSc2ccccc2C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC001435348192 1064715051 /nfs/dbraw/zinc/71/50/51/1064715051.db2.gz ZADCIMITIMADQN-QFIPXVFZSA-N 1 1 451.636 4.720 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2CC[N@H+]2CCC[C@@H]2C)cc1 ZINC001359954002 1064717696 /nfs/dbraw/zinc/71/76/96/1064717696.db2.gz AGVNCGXHPNKTFN-DHLKQENFSA-N 1 1 469.674 4.716 20 0 JJADMO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001435357260 1064721699 /nfs/dbraw/zinc/72/16/99/1064721699.db2.gz OFPLXKUILPSBIE-HXUWFJFHSA-N 1 1 452.595 4.825 20 0 JJADMO O=C(Cc1cc(Br)ccc1F)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001359957415 1064725820 /nfs/dbraw/zinc/72/58/20/1064725820.db2.gz SJPPMLMSANVGBV-LJQANCHMSA-N 1 1 453.783 4.955 20 0 JJADMO O=C(Cc1cc(Br)ccc1F)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001359957415 1064725833 /nfs/dbraw/zinc/72/58/33/1064725833.db2.gz SJPPMLMSANVGBV-LJQANCHMSA-N 1 1 453.783 4.955 20 0 JJADMO CC(C)CCOCCCn1c(-c2cccc(Br)c2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001359958913 1064730156 /nfs/dbraw/zinc/73/01/56/1064730156.db2.gz LRVBPQFBJPGATC-QFIPXVFZSA-N 1 1 490.490 4.835 20 0 JJADMO C[C@H]1C[C@@H](NC(=O)c2cc(-c3cccc(Br)c3)no2)CC[N@H+]1Cc1ccccc1 ZINC001435379782 1064731315 /nfs/dbraw/zinc/73/13/15/1064731315.db2.gz TZVSKFZLEZJIBT-JXFKEZNVSA-N 1 1 454.368 4.887 20 0 JJADMO CC(C)CCOCCCn1c(Cc2ccccc2F)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001359962421 1064735986 /nfs/dbraw/zinc/73/59/86/1064735986.db2.gz XQJNIAULJWBGNA-UHFFFAOYSA-N 1 1 459.654 4.771 20 0 JJADMO Cc1cccc(-n2ncc(C(=O)Nc3ccc([C@@H](C)[NH+]4CCOCC4)cc3)c2C(F)(F)F)c1 ZINC001359968603 1064745044 /nfs/dbraw/zinc/74/50/44/1064745044.db2.gz BKJNGCBYBSIARZ-QGZVFWFLSA-N 1 1 458.484 4.845 20 0 JJADMO COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)cc1 ZINC001435417488 1064747496 /nfs/dbraw/zinc/74/74/96/1064747496.db2.gz TVWACLNAXBCMMM-UHFFFAOYSA-N 1 1 458.537 4.549 20 0 JJADMO C[C@H](CCNC(=O)c1ccc(Br)c(OC(F)(F)F)c1)[N@@H+](C)Cc1ccccc1 ZINC001435421707 1064749859 /nfs/dbraw/zinc/74/98/59/1064749859.db2.gz GAAQEGFQBKYJRK-CQSZACIVSA-N 1 1 459.306 4.988 20 0 JJADMO C[C@H](CCNC(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2)[N@@H+](C)Cc1ccccc1 ZINC001435421703 1064749910 /nfs/dbraw/zinc/74/99/10/1064749910.db2.gz FZIQYACEUJKNIX-HXUWFJFHSA-N 1 1 451.611 4.620 20 0 JJADMO CC(C)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001359982613 1064758257 /nfs/dbraw/zinc/75/82/57/1064758257.db2.gz HGAQQHAOPAYAJK-ISJGIBHGSA-N 1 1 467.702 4.854 20 0 JJADMO CC[C@H](NC(=O)Cc1csc([C@H]2CC[C@H](C)CC2)n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435454334 1064766644 /nfs/dbraw/zinc/76/66/44/1064766644.db2.gz CFUOQJDVEOFKIR-RXOYHEDQSA-N 1 1 455.668 4.775 20 0 JJADMO CC[C@H](NC(=O)Cc1csc([C@H]2CC[C@H](C)CC2)n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435454334 1064766653 /nfs/dbraw/zinc/76/66/53/1064766653.db2.gz CFUOQJDVEOFKIR-RXOYHEDQSA-N 1 1 455.668 4.775 20 0 JJADMO CC[C@H](NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435456687 1064767714 /nfs/dbraw/zinc/76/77/14/1064767714.db2.gz QPNNJJKKERDQAI-URZJWIJPSA-N 1 1 451.394 4.557 20 0 JJADMO CC[C@H](NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435456687 1064767727 /nfs/dbraw/zinc/76/77/27/1064767727.db2.gz QPNNJJKKERDQAI-URZJWIJPSA-N 1 1 451.394 4.557 20 0 JJADMO CC[C@H](NC(=O)C1(c2ccc(C)c(OC)c2)CCCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435457054 1064768065 /nfs/dbraw/zinc/76/80/65/1064768065.db2.gz WBFZEFHDORFBKO-AHWVRZQESA-N 1 1 450.623 4.611 20 0 JJADMO CC[C@H](NC(=O)C1(c2ccc(C)c(OC)c2)CCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435457054 1064768073 /nfs/dbraw/zinc/76/80/73/1064768073.db2.gz WBFZEFHDORFBKO-AHWVRZQESA-N 1 1 450.623 4.611 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)COc1ccccc1OCc1ccccc1 ZINC001435458964 1064769164 /nfs/dbraw/zinc/76/91/64/1064769164.db2.gz HPOOIUQCYFOMSO-HVUMLAPRSA-N 1 1 458.602 4.917 20 0 JJADMO CC(C)CN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001359989263 1064770293 /nfs/dbraw/zinc/77/02/93/1064770293.db2.gz HQRJFQFEANZDHJ-YADHBBJMSA-N 1 1 499.704 4.723 20 0 JJADMO CC(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001360005974 1064792953 /nfs/dbraw/zinc/79/29/53/1064792953.db2.gz IWNFWDDGPXFUFY-GMAHTHKFSA-N 1 1 482.673 4.717 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N(C)C[C@@H]2CCCCO2)C1 ZINC001360007237 1064794510 /nfs/dbraw/zinc/79/45/10/1064794510.db2.gz ARADLRBBDIFYKC-REWPJTCUSA-N 1 1 460.066 4.972 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(C)C)nnc2N2CCC(O)(c3c(F)cccc3F)CC2)C1 ZINC001360007627 1064795205 /nfs/dbraw/zinc/79/52/05/1064795205.db2.gz FNBQHFJDDVQWAF-HXUWFJFHSA-N 1 1 475.628 4.536 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(C)C)nnc2N2CCC[C@@H](c3noc(C(C)C)n3)C2)C1 ZINC001360008328 1064797436 /nfs/dbraw/zinc/79/74/36/1064797436.db2.gz PLAITASXSNUNNO-NHCUHLMSSA-N 1 1 457.667 4.660 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@H](OC(C)(C)C)C2)C1 ZINC001360009418 1064798933 /nfs/dbraw/zinc/79/89/33/1064798933.db2.gz BCHGIWOFVUJCPF-VABKMULXSA-N 1 1 461.695 4.672 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCCc2ccccn2)C1 ZINC001360009416 1064799166 /nfs/dbraw/zinc/79/91/66/1064799166.db2.gz AZPJKCQREOUEIC-OAQYLSRUSA-N 1 1 482.076 4.826 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(Cc3ccccn3)nnc2N(C)Cc2ccccc2Cl)C1 ZINC001360009739 1064799586 /nfs/dbraw/zinc/79/95/86/1064799586.db2.gz DUPLQAGFWMDANL-NRFANRHFSA-N 1 1 467.061 4.922 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3ccccc3Br)nnc2N2CCCO[C@H](C)C2)C1 ZINC001360009903 1064799958 /nfs/dbraw/zinc/79/99/58/1064799958.db2.gz HIKCWYDPEACOMG-WOJBJXKFSA-N 1 1 490.490 4.691 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)CCOc2ccc(Cl)cc2)C1 ZINC001360010103 1064800973 /nfs/dbraw/zinc/80/09/73/1064800973.db2.gz KNPJVEJJQMXRCJ-FGZHOGPDSA-N 1 1 490.092 4.709 20 0 JJADMO CN(C(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001435517526 1064800982 /nfs/dbraw/zinc/80/09/82/1064800982.db2.gz GNNSDHFGYQRSIX-FQEVSTJZSA-N 1 1 458.002 4.962 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccc(Br)s2)C1 ZINC001360010573 1064802390 /nfs/dbraw/zinc/80/23/90/1064802390.db2.gz RVZQZUMVRJKUME-QZTJIDSGSA-N 1 1 496.519 4.610 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@H](C(C)C)C2)C1 ZINC001360010529 1064802428 /nfs/dbraw/zinc/80/24/28/1064802428.db2.gz RFSWKHXUYYLMTO-CVDCTZTESA-N 1 1 478.056 4.967 20 0 JJADMO CN(C(=O)c1coc(-c2ccc(Br)cc2F)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001435520654 1064803433 /nfs/dbraw/zinc/80/34/33/1064803433.db2.gz YWJKSCCMLZIXEW-QGZVFWFLSA-N 1 1 458.331 4.590 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)CCOC(C)(C)C)C1 ZINC001360010986 1064805541 /nfs/dbraw/zinc/80/55/41/1064805541.db2.gz ZKLTWCUSUBPNKF-HSZRJFAPSA-N 1 1 493.700 4.750 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@H](C)CC(C)(C)C2)C1 ZINC001360012018 1064807057 /nfs/dbraw/zinc/80/70/57/1064807057.db2.gz KQXWNVIIYKAHDV-RTWAWAEBSA-N 1 1 486.730 4.510 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(CCO)Cc2ccccc2)C1 ZINC001360012063 1064807467 /nfs/dbraw/zinc/80/74/67/1064807467.db2.gz LTFFSRYYBGOCFW-JIMJEQGWSA-N 1 1 497.728 4.564 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(CCOc3ccccc3)nnc2N2CC=C(C(F)(F)F)CC2)C1 ZINC001360012393 1064809200 /nfs/dbraw/zinc/80/92/00/1064809200.db2.gz RAEIDRFDDBJLOT-NRFANRHFSA-N 1 1 491.602 4.966 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(N(C)[C@H](C)c3cccs3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001360012356 1064809224 /nfs/dbraw/zinc/80/92/24/1064809224.db2.gz QFNMNWQOZCRATF-TVZXLZGTSA-N 1 1 489.730 4.946 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CCSC[C@@H]2C)C1 ZINC001360012731 1064810199 /nfs/dbraw/zinc/81/01/99/1064810199.db2.gz VGJPXACMKXRNJO-VQTJNVASSA-N 1 1 478.106 4.820 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CCSC[C@H]2C)C1 ZINC001360012733 1064810329 /nfs/dbraw/zinc/81/03/29/1064810329.db2.gz VGJPXACMKXRNJO-WOJBJXKFSA-N 1 1 478.106 4.820 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](C(C)(C)C)C2)C1 ZINC001360012999 1064810912 /nfs/dbraw/zinc/81/09/12/1064810912.db2.gz ZYRQTJVGGYYNHU-OLKYXYMISA-N 1 1 489.749 4.816 20 0 JJADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCc2cc3c(cc2OC(F)F)OCO3)c1 ZINC001435547692 1064822015 /nfs/dbraw/zinc/82/20/15/1064822015.db2.gz VOXFDYIGIRMEBT-UHFFFAOYSA-N 1 1 454.473 4.579 20 0 JJADMO COCCSc1ccc([C@@H](C)NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1 ZINC001360020228 1064823584 /nfs/dbraw/zinc/82/35/84/1064823584.db2.gz RXDJNVCTQGEXSI-CTUHWIOQSA-N 1 1 481.687 4.975 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001435561454 1064832751 /nfs/dbraw/zinc/83/27/51/1064832751.db2.gz DWQSJHFFOKGWIY-AZSVPQILSA-N 1 1 455.602 4.669 20 0 JJADMO Cc1cccc(CNC(=O)c2ccc(C(=O)N3C[C@@H](C)[N@@H+](Cc4ccccc4)C[C@H]3C)cc2)c1 ZINC001435563362 1064835182 /nfs/dbraw/zinc/83/51/82/1064835182.db2.gz BKYFGJBGGSIMGA-DHIUTWEWSA-N 1 1 455.602 4.660 20 0 JJADMO Cc1cccc(CNC(=O)c2ccc(C(=O)N3C[C@@H](C)[N@H+](Cc4ccccc4)C[C@H]3C)cc2)c1 ZINC001435563362 1064835185 /nfs/dbraw/zinc/83/51/85/1064835185.db2.gz BKYFGJBGGSIMGA-DHIUTWEWSA-N 1 1 455.602 4.660 20 0 JJADMO Cc1cccc(CNC(=O)c2ccc(C(=O)N3C[C@H](C)[N@@H+](Cc4ccccc4)C[C@H]3C)cc2)c1 ZINC001435563365 1064835220 /nfs/dbraw/zinc/83/52/20/1064835220.db2.gz BKYFGJBGGSIMGA-XZOQPEGZSA-N 1 1 455.602 4.660 20 0 JJADMO Cc1cccc(CNC(=O)c2ccc(C(=O)N3C[C@H](C)[N@H+](Cc4ccccc4)C[C@H]3C)cc2)c1 ZINC001435563365 1064835227 /nfs/dbraw/zinc/83/52/27/1064835227.db2.gz BKYFGJBGGSIMGA-XZOQPEGZSA-N 1 1 455.602 4.660 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@H](C(C)(C)C)C2)C1 ZINC001360033942 1064837254 /nfs/dbraw/zinc/83/72/54/1064837254.db2.gz ANJJRHFJIYALFZ-DPLHUUCSSA-N 1 1 487.664 4.786 20 0 JJADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)Cc2ccsc2)C1 ZINC001360034166 1064837883 /nfs/dbraw/zinc/83/78/83/1064837883.db2.gz BUQRXCNJBQQAHW-TZIWHRDSSA-N 1 1 487.645 4.612 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@@H](C)CC2)C1 ZINC001360034135 1064838054 /nfs/dbraw/zinc/83/80/54/1064838054.db2.gz BNVHVHSUVISDAR-LGVFNWMJSA-N 1 1 473.637 4.540 20 0 JJADMO CC[NH+](CC)[C@H](C(=O)Nc1nc(C2CC2)c(C(=O)OC)s1)c1cccc(C(F)(F)F)c1 ZINC001435570179 1064840501 /nfs/dbraw/zinc/84/05/01/1064840501.db2.gz XGYXYZATPSDZRP-INIZCTEOSA-N 1 1 455.502 4.848 20 0 JJADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCCC[C@@H](C)C2)C1 ZINC001360035711 1064841532 /nfs/dbraw/zinc/84/15/32/1064841532.db2.gz PPSVEXKHOKPDLT-DENIHFKCSA-N 1 1 490.490 4.691 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC[C@@H](C)C2)C1 ZINC001360035923 1064842515 /nfs/dbraw/zinc/84/25/15/1064842515.db2.gz RCHOPLMKVMLFHX-MJGOQNOKSA-N 1 1 466.457 4.845 20 0 JJADMO C[C@@H]1C[C@@H](CCNC(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)C[N@H+]1Cc1ccccc1 ZINC001435584700 1064849555 /nfs/dbraw/zinc/84/95/55/1064849555.db2.gz IDRFREWHAMOZDU-NFBKMPQASA-N 1 1 451.611 4.742 20 0 JJADMO C[C@H]1C[C@H](CCNC(=O)Cc2noc3ccc(Br)cc32)C[N@H+]1Cc1ccccc1 ZINC001435585595 1064850168 /nfs/dbraw/zinc/85/01/68/1064850168.db2.gz KGTXJCZYFIAPOM-WMZOPIPTSA-N 1 1 456.384 4.550 20 0 JJADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCC(C)CC2)C1 ZINC001360038678 1064850287 /nfs/dbraw/zinc/85/02/87/1064850287.db2.gz ILRRUZFOCOMKGE-HXUWFJFHSA-N 1 1 496.483 4.757 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(N(C)C[C@@H]3CCCO[C@@H]3c3ccccc3)nnc2C(C)(C)C)C1 ZINC001360038765 1064850414 /nfs/dbraw/zinc/85/04/14/1064850414.db2.gz JKPAXDKJIGPFEW-CCDWMCETSA-N 1 1 483.701 4.537 20 0 JJADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(CC(C)(C)C)nnc2N(C)Cc2csc(Br)c2)C1 ZINC001360039184 1064852200 /nfs/dbraw/zinc/85/22/00/1064852200.db2.gz JLIJSAJNBDRIKS-GOSISDBHSA-N 1 1 498.535 4.684 20 0 JJADMO C[C@@H]1C[C@H](CCNC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)C[N@H+]1Cc1ccccc1 ZINC001435588022 1064852964 /nfs/dbraw/zinc/85/29/64/1064852964.db2.gz USPZEDPNWZRLKZ-WBVHZDCISA-N 1 1 454.464 4.920 20 0 JJADMO CC(C)CN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1)C1CCCC1 ZINC001360041087 1064857014 /nfs/dbraw/zinc/85/70/14/1064857014.db2.gz WEZMHBVZIRRNGF-RUZDIDTESA-N 1 1 471.665 4.770 20 0 JJADMO CC(C)COC(=O)N1CCCN(c2nnc(-c3ccccc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001360042016 1064858177 /nfs/dbraw/zinc/85/81/77/1064858177.db2.gz NYBBYFYXTZNZRJ-QHCPKHFHSA-N 1 1 496.700 4.760 20 0 JJADMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc(Br)c(C)c1 ZINC001435600841 1064864831 /nfs/dbraw/zinc/86/48/31/1064864831.db2.gz NHUIORQBUXBFBS-FQEVSTJZSA-N 1 1 453.384 4.962 20 0 JJADMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc(Br)c(C)c1 ZINC001435600844 1064865002 /nfs/dbraw/zinc/86/50/02/1064865002.db2.gz NHUIORQBUXBFBS-HXUWFJFHSA-N 1 1 453.384 4.962 20 0 JJADMO CC(C)CO[C@H](C)c1noc(CN(C)c2nnc(C3CCCC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC001360048926 1064870111 /nfs/dbraw/zinc/87/01/11/1064870111.db2.gz KUWBFVHECNNVOJ-CTNGQTDRSA-N 1 1 487.693 4.809 20 0 JJADMO COc1cccc(C(=O)Nc2cc(C)nn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1OC(F)F ZINC001435614004 1064876624 /nfs/dbraw/zinc/87/66/24/1064876624.db2.gz QADNVOPSXNCEMA-GOSISDBHSA-N 1 1 456.493 4.501 20 0 JJADMO Cc1cc(C(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)cc1Br ZINC001435616530 1064878510 /nfs/dbraw/zinc/87/85/10/1064878510.db2.gz DLRDGZPIISLJAO-IBGZPJMESA-N 1 1 453.384 4.962 20 0 JJADMO CC(C)COc1cccc(Cn2c(N3CC[N@H+](C4CCC4)C[C@@H](C)C3)nnc2C(C)(C)C)c1 ZINC001360051709 1064879393 /nfs/dbraw/zinc/87/93/93/1064879393.db2.gz FVAPFKFHLUPJBM-OAQYLSRUSA-N 1 1 453.675 4.969 20 0 JJADMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1ccc(C)c(Br)c1 ZINC001435623793 1064884885 /nfs/dbraw/zinc/88/48/85/1064884885.db2.gz CWXRSAJKDSWJDM-UZUQRXQVSA-N 1 1 458.444 4.763 20 0 JJADMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1ccc(C)c(Br)c1 ZINC001435623793 1064884896 /nfs/dbraw/zinc/88/48/96/1064884896.db2.gz CWXRSAJKDSWJDM-UZUQRXQVSA-N 1 1 458.444 4.763 20 0 JJADMO CC(C)CO[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC001360055409 1064884982 /nfs/dbraw/zinc/88/49/82/1064884982.db2.gz SRRLBHGISIGKRB-SJBKTWHCSA-N 1 1 459.704 4.972 20 0 JJADMO CC(C)CO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[N@H+]2CCCC[C@H]2C)C1 ZINC001360061771 1064900973 /nfs/dbraw/zinc/90/09/73/1064900973.db2.gz BNYRORIMFJDPJL-NHCUHLMSSA-N 1 1 475.628 4.663 20 0 JJADMO Cc1ccccc1CN1CCN(c2nnc(CC(C)C)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001492596884 1064901014 /nfs/dbraw/zinc/90/10/14/1064901014.db2.gz XASIUUZOTJLHMC-DQEYMECFSA-N 1 1 480.745 4.865 20 0 JJADMO C[C@H](Oc1ccccc1Br)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001435658310 1064913412 /nfs/dbraw/zinc/91/34/12/1064913412.db2.gz YIXGNIGPSDOEQV-LLMJNHHCSA-N 1 1 457.412 4.633 20 0 JJADMO C[C@H](Oc1cccc(Br)c1)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001435658473 1064913680 /nfs/dbraw/zinc/91/36/80/1064913680.db2.gz ZKQDYOKZIWFACQ-MZGVDSNGSA-N 1 1 457.412 4.633 20 0 JJADMO CC(C)CSCCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001360076113 1064923612 /nfs/dbraw/zinc/92/36/12/1064923612.db2.gz FSPFSFFPMGTFHC-JOCHJYFZSA-N 1 1 481.714 4.559 20 0 JJADMO CCC[C@@H]1CN(C(=O)c2ccccc2SCc2nc(C)no2)CC[N@H+]1Cc1ccccc1 ZINC001435671807 1064925030 /nfs/dbraw/zinc/92/50/30/1064925030.db2.gz CGNYWFXUDXCVKV-OAQYLSRUSA-N 1 1 450.608 4.797 20 0 JJADMO CCC[C@@H]1CN(C(=O)COc2ccccc2OCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001435672566 1064925865 /nfs/dbraw/zinc/92/58/65/1064925865.db2.gz HVYDFTRGAQEKJF-HXUWFJFHSA-N 1 1 450.501 4.520 20 0 JJADMO C[C@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001435702227 1064946880 /nfs/dbraw/zinc/94/68/80/1064946880.db2.gz IYPUBNNCAIECOL-QFBILLFUSA-N 1 1 456.999 4.509 20 0 JJADMO CC(C)CSCCn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001360086013 1064949244 /nfs/dbraw/zinc/94/92/44/1064949244.db2.gz OAKWPKAWRVUXHP-QTJGBDASSA-N 1 1 471.715 4.661 20 0 JJADMO CC(C)CSCCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001360086317 1064949968 /nfs/dbraw/zinc/94/99/68/1064949968.db2.gz VXLNZJSISGCFNP-UHFFFAOYSA-N 1 1 491.677 4.920 20 0 JJADMO C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)c3ccc([C@H]4CCCOC4)cc3)cc2)C[C@H]1C ZINC001435723546 1064956477 /nfs/dbraw/zinc/95/64/77/1064956477.db2.gz JPGNTACCZVUKBO-VRUMLPLGSA-N 1 1 450.623 4.520 20 0 JJADMO Cc1cccc(-c2ccc(C(=O)NCCc3ccc(OCC[N@@H+]4C[C@H](C)[C@H](C)C4)cc3)n2C)c1 ZINC001435724414 1064957017 /nfs/dbraw/zinc/95/70/17/1064957017.db2.gz PWQLGZNJWPTFOK-ZRZAMGCNSA-N 1 1 459.634 4.940 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(C2CCCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360092365 1064960530 /nfs/dbraw/zinc/96/05/30/1064960530.db2.gz CGNKQGGXGBZNLK-DEOSSOPVSA-N 1 1 496.700 4.928 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001360092320 1064960594 /nfs/dbraw/zinc/96/05/94/1064960594.db2.gz ASLCPJRCNGJFPW-QFIPXVFZSA-N 1 1 479.591 4.839 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2([S@@](C)=O)CC2)CC1 ZINC001360092489 1064961423 /nfs/dbraw/zinc/96/14/23/1064961423.db2.gz HIKXBCJISLCWIA-UUWRZZSWSA-N 1 1 485.742 4.710 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccccc3)n2Cc2cc(COC(C)(C)C)on2)CC1 ZINC001360092480 1064961553 /nfs/dbraw/zinc/96/15/53/1064961553.db2.gz HEPBIZFGMMILFE-UHFFFAOYSA-N 1 1 480.657 4.853 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(C2CCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360092845 1064964652 /nfs/dbraw/zinc/96/46/52/1064964652.db2.gz UZWZCKYZKLSDIQ-QHCPKHFHSA-N 1 1 482.673 4.538 20 0 JJADMO COc1ccc(-c2nnc(NC(=O)c3ccccc3OCC[N@H+]3CCCC[C@H]3C)s2)cc1 ZINC001435736577 1064964988 /nfs/dbraw/zinc/96/49/88/1064964988.db2.gz KRHHRUHKHXZJDS-QGZVFWFLSA-N 1 1 452.580 4.719 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccccc3Br)n2[C@@H]2C[C@H]2CF)CC1 ZINC001360094540 1064966020 /nfs/dbraw/zinc/96/60/20/1064966020.db2.gz CYUJMPDGXHDOAG-FXAWDEMLSA-N 1 1 464.427 4.795 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCOC3)n2CCCSc2ccccc2)CC1 ZINC001360094807 1064966561 /nfs/dbraw/zinc/96/65/61/1064966561.db2.gz MKDIFRPLYIFDIV-JOCHJYFZSA-N 1 1 457.688 4.521 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2CCc2csc(C(C)(C)C)n2)CC1 ZINC001360094655 1064966693 /nfs/dbraw/zinc/96/66/93/1064966693.db2.gz HZHVJMWCFCMXCI-UHFFFAOYSA-N 1 1 483.730 4.837 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCCCO3)n2CCc2ccc(Cl)cc2)CC1 ZINC001360094976 1064967378 /nfs/dbraw/zinc/96/73/78/1064967378.db2.gz RRBJQXNQCIJCAD-HSZRJFAPSA-N 1 1 460.066 4.972 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001360094952 1064967498 /nfs/dbraw/zinc/96/74/98/1064967498.db2.gz QZJDJHGYQMGPHF-FQEVSTJZSA-N 1 1 496.597 4.525 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(COc3ccccc3F)n2CC2(O)CCCCCC2)CC1 ZINC001360095350 1064969074 /nfs/dbraw/zinc/96/90/74/1064969074.db2.gz GPVGSQPCXXTAAS-UHFFFAOYSA-N 1 1 487.664 4.638 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCOc3ccccc32)CC1 ZINC001360095276 1064969159 /nfs/dbraw/zinc/96/91/59/1064969159.db2.gz CVODKLOQPPWIAP-QFIPXVFZSA-N 1 1 453.675 4.990 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 ZINC001360095382 1064969430 /nfs/dbraw/zinc/96/94/30/1064969430.db2.gz HKKDVMXSPXMAJG-AOYPEHQESA-N 1 1 482.717 4.662 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCCO3)n2Cc2c(F)cccc2Cl)CC1 ZINC001360095648 1064970017 /nfs/dbraw/zinc/97/00/17/1064970017.db2.gz MSOFXTJIJYCBHF-OAQYLSRUSA-N 1 1 450.002 4.527 20 0 JJADMO CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435749353 1064972150 /nfs/dbraw/zinc/97/21/50/1064972150.db2.gz MOPJGCZEYRLCQJ-JIGPKXGUSA-N 1 1 457.981 4.926 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C)C(C)(C)C1 ZINC001360097457 1064974612 /nfs/dbraw/zinc/97/46/12/1064974612.db2.gz IDFRSKDOAMNFGX-KRWDZBQOSA-N 1 1 465.484 4.649 20 0 JJADMO C[N@H+]1CC[C@@H](CNC(=O)c2cccc(OCc3cscn3)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435750531 1064975549 /nfs/dbraw/zinc/97/55/49/1064975549.db2.gz RLRWGAWRVSTVGQ-JTSKRJEESA-N 1 1 459.974 4.937 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCc1ccccc1F ZINC001360097621 1064975681 /nfs/dbraw/zinc/97/56/81/1064975681.db2.gz NTTOEQIZRKBDQI-UHFFFAOYSA-N 1 1 477.426 4.584 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(F)(F)CC1 ZINC001360097558 1064975803 /nfs/dbraw/zinc/97/58/03/1064975803.db2.gz LGPWRZDICGFTOI-UHFFFAOYSA-N 1 1 456.379 4.673 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001360097607 1064975834 /nfs/dbraw/zinc/97/58/34/1064975834.db2.gz NFFGHFYOTJZOGH-KRWDZBQOSA-N 1 1 457.516 4.758 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001360097882 1064976193 /nfs/dbraw/zinc/97/61/93/1064976193.db2.gz SSSUDHATGVCDOB-UHFFFAOYSA-N 1 1 471.955 4.677 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc[nH]2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC001360097926 1064977377 /nfs/dbraw/zinc/97/73/77/1064977377.db2.gz FJFFFZRJAGQGOC-LADGPHEKSA-N 1 1 450.631 4.608 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1 ZINC001360098515 1064977976 /nfs/dbraw/zinc/97/79/76/1064977976.db2.gz VXHMHAFZMGTNMP-UHFFFAOYSA-N 1 1 486.045 4.676 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)c1ccco1 ZINC001360100450 1064980260 /nfs/dbraw/zinc/98/02/60/1064980260.db2.gz MUODJUBLXLTQJF-RTWAWAEBSA-N 1 1 488.677 4.913 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)s1 ZINC001360100966 1064980941 /nfs/dbraw/zinc/98/09/41/1064980941.db2.gz ZXEQUYPTXADKTB-KRWDZBQOSA-N 1 1 470.481 4.710 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccncc2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 ZINC001360101433 1064981850 /nfs/dbraw/zinc/98/18/50/1064981850.db2.gz OWDKHVWPKAKBLP-UHFFFAOYSA-N 1 1 460.548 4.649 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)C2(CCC2)C1 ZINC001360103186 1064982393 /nfs/dbraw/zinc/98/23/93/1064982393.db2.gz BKPGULHXHSYALZ-FDFHNCONSA-N 1 1 488.721 4.796 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCSC[C@H]1C ZINC001360103770 1064983949 /nfs/dbraw/zinc/98/39/49/1064983949.db2.gz XHTFFXKPFLPSIJ-QGZVFWFLSA-N 1 1 454.109 4.896 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 ZINC001360103797 1064983968 /nfs/dbraw/zinc/98/39/68/1064983968.db2.gz YCISTUQDJVZUAA-WXFUMESZSA-N 1 1 487.664 4.644 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001360103904 1064984133 /nfs/dbraw/zinc/98/41/33/1064984133.db2.gz CGZBYZXRRGCWHB-UHFFFAOYSA-N 1 1 461.479 4.665 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCOC2(CCC2)C1 ZINC001360103608 1064984305 /nfs/dbraw/zinc/98/43/05/1064984305.db2.gz RHCYRKDMNUUILQ-UHFFFAOYSA-N 1 1 469.674 4.644 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001360104002 1064984999 /nfs/dbraw/zinc/98/49/99/1064984999.db2.gz GVFMGRIOLGWNES-INIZCTEOSA-N 1 1 456.379 4.529 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N(Cc1ccco1)C[C@H]1CCCO1 ZINC001360106432 1064987331 /nfs/dbraw/zinc/98/73/31/1064987331.db2.gz CNPWKDCYQRJVBO-HXUWFJFHSA-N 1 1 475.996 4.856 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC1CC1)C1CCC1 ZINC001360109839 1064991385 /nfs/dbraw/zinc/99/13/85/1064991385.db2.gz JOUFCYIIVANHSA-UHFFFAOYSA-N 1 1 474.694 4.502 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 ZINC001360110236 1064991580 /nfs/dbraw/zinc/99/15/80/1064991580.db2.gz MDLMIGBXYZDKCS-UHFFFAOYSA-N 1 1 476.669 4.592 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H](C)c1cccs1 ZINC001360110313 1064991614 /nfs/dbraw/zinc/99/16/14/1064991614.db2.gz PCSMPUMJKZHGLO-IBGZPJMESA-N 1 1 490.718 4.992 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(CCCc2ccccc2)nnc1N1CCC(c2nccs2)CC1 ZINC001360112487 1064993931 /nfs/dbraw/zinc/99/39/31/1064993931.db2.gz FSJGYKWHJQBPPW-UHFFFAOYSA-N 1 1 452.672 4.634 20 0 JJADMO CC(C)[N@@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCc2ccccc2[C@H]1C ZINC001360113612 1064995632 /nfs/dbraw/zinc/99/56/32/1064995632.db2.gz ILWBKSQZTHDFPO-FCEUIQTBSA-N 1 1 482.673 4.513 20 0 JJADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(Br)o1 ZINC001360113721 1064995854 /nfs/dbraw/zinc/99/58/54/1064995854.db2.gz MBDLBKZBZGUAIN-IEBWSBKVSA-N 1 1 482.467 4.529 20 0 JJADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 ZINC001360113924 1064996167 /nfs/dbraw/zinc/99/61/67/1064996167.db2.gz SUIGXGASKSLXKA-AGILITTLSA-N 1 1 471.690 4.700 20 0 JJADMO CC(C)N(Cc1cccc(F)c1)c1nnc(Cc2cccnc2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001360118639 1065005033 /nfs/dbraw/zinc/00/50/33/1065005033.db2.gz MSBUEPRWQMKFEE-DEOSSOPVSA-N 1 1 464.633 4.938 20 0 JJADMO C[C@@H](NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001435851096 1065023055 /nfs/dbraw/zinc/02/30/55/1065023055.db2.gz FRVTWKFCYZTPMC-HUUCEWRRSA-N 1 1 452.382 4.943 20 0 JJADMO Cc1cc(Br)c(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1Br ZINC001435854288 1065025723 /nfs/dbraw/zinc/02/57/23/1065025723.db2.gz ZRJFMXVOAHRHCW-UONOGXRCSA-N 1 1 458.238 4.903 20 0 JJADMO O=C(NCCc1ccc(Br)cc1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001360134089 1065030135 /nfs/dbraw/zinc/03/01/35/1065030135.db2.gz JGWDLYFXOURWGC-FQEVSTJZSA-N 1 1 455.318 4.562 20 0 JJADMO CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001435864722 1065032238 /nfs/dbraw/zinc/03/22/38/1065032238.db2.gz GMXDQGGJCQGAHW-YDLSIGKMSA-N 1 1 452.470 4.893 20 0 JJADMO CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001435864720 1065032387 /nfs/dbraw/zinc/03/23/87/1065032387.db2.gz GMXDQGGJCQGAHW-JFSTXAPLSA-N 1 1 452.470 4.893 20 0 JJADMO Cc1ccc(-c2ncc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CCN(C)CC3)s2)c(C)c1 ZINC001435864874 1065032439 /nfs/dbraw/zinc/03/24/39/1065032439.db2.gz GWPITCHMPOMTIS-GOTSBHOMSA-N 1 1 454.684 4.836 20 0 JJADMO CN(C(=O)CCCOc1cccc2ccccc21)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001435865654 1065033212 /nfs/dbraw/zinc/03/32/12/1065033212.db2.gz NVQPXGOPUIOYPV-IZZNHLLZSA-N 1 1 451.655 4.794 20 0 JJADMO CN(C(=O)CCCOc1cccc2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001435865653 1065033272 /nfs/dbraw/zinc/03/32/72/1065033272.db2.gz NVQPXGOPUIOYPV-FTJBHMTQSA-N 1 1 451.655 4.794 20 0 JJADMO CN(C(=O)c1cc(-c2ccccn2)ccc1Cl)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001435865429 1065033531 /nfs/dbraw/zinc/03/35/31/1065033531.db2.gz MJDZDYGIRDCFGK-JWQCQUIFSA-N 1 1 455.046 4.811 20 0 JJADMO Cc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)cc1NC(=O)c1ccccc1F ZINC001435866519 1065033936 /nfs/dbraw/zinc/03/39/36/1065033936.db2.gz WMTJLDKFZWKUQU-UHFFFAOYSA-N 1 1 452.555 4.862 20 0 JJADMO Cc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)cc1NC(=O)c1ccccc1F ZINC001435866519 1065033950 /nfs/dbraw/zinc/03/39/50/1065033950.db2.gz WMTJLDKFZWKUQU-UHFFFAOYSA-N 1 1 452.555 4.862 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3ccccc3Br)nnc2N(C)C[C@H]2CCCOC2)C1 ZINC001360138299 1065034131 /nfs/dbraw/zinc/03/41/31/1065034131.db2.gz CWHJNTAXFKCGDX-WOJBJXKFSA-N 1 1 490.490 4.691 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3ccccc3Br)nnc2N(C)C[C@H]2CCCOC2)C1 ZINC001360138297 1065034228 /nfs/dbraw/zinc/03/42/28/1065034228.db2.gz CWHJNTAXFKCGDX-VQTJNVASSA-N 1 1 490.490 4.691 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cnccn3)nnc2N(C)Cc2ccccc2C(F)(F)F)C1 ZINC001360139048 1065035672 /nfs/dbraw/zinc/03/56/72/1065035672.db2.gz NHCSGWLHRUJVEZ-SFHVURJKSA-N 1 1 473.547 4.511 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3ccccn3)nnc2N(C)[C@@H](C)c2ccccc2F)C1 ZINC001360140457 1065037400 /nfs/dbraw/zinc/03/74/00/1065037400.db2.gz DONHWWDRGZEZMA-SFTDATJTSA-N 1 1 450.606 4.721 20 0 JJADMO Cc1cc(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)ccc1NC(=O)OC(C)(C)C ZINC001435875974 1065038940 /nfs/dbraw/zinc/03/89/40/1065038940.db2.gz PQNPUZGNRCFEFH-NRFANRHFSA-N 1 1 455.624 4.689 20 0 JJADMO Cc1cc(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)ccc1NC(=O)OC(C)(C)C ZINC001435875974 1065038961 /nfs/dbraw/zinc/03/89/61/1065038961.db2.gz PQNPUZGNRCFEFH-NRFANRHFSA-N 1 1 455.624 4.689 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(COc3ccccc3F)nnc2N(C)Cc2cc(Cl)ccn2)C1 ZINC001360140862 1065039104 /nfs/dbraw/zinc/03/91/04/1065039104.db2.gz JVARWGCRUAIJNA-IBGZPJMESA-N 1 1 487.023 4.801 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(COc3ccc(Cl)cc3)nnc2N(C)Cc2nccs2)C1 ZINC001360141297 1065039562 /nfs/dbraw/zinc/03/95/62/1065039562.db2.gz NVQAEYSSKMIFCA-GOSISDBHSA-N 1 1 475.062 4.724 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(CC(C)(C)C)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001360141420 1065040249 /nfs/dbraw/zinc/04/02/49/1065040249.db2.gz OWTXHQXISJKFPS-OAQYLSRUSA-N 1 1 490.737 4.823 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3cccnc3)nnc2N(C)Cc2ccc(Cl)s2)C1 ZINC001360142153 1065041925 /nfs/dbraw/zinc/04/19/25/1065041925.db2.gz UNKZHEIFWWNCSP-IBGZPJMESA-N 1 1 459.063 4.736 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@](O)(Cc3cccc(Cl)c3)C2)C1 ZINC001360142232 1065042013 /nfs/dbraw/zinc/04/20/13/1065042013.db2.gz VOTWSVOOPZPGPK-CUNXSJBXSA-N 1 1 488.120 4.824 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(Cc3cccnc3)nnc2N(C)CCc2ccc(Cl)cc2)C1 ZINC001360142440 1065042573 /nfs/dbraw/zinc/04/25/73/1065042573.db2.gz WJWGSLZZQJXKGS-HSZRJFAPSA-N 1 1 467.061 4.717 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@H]2CC=CCO2)CC1 ZINC001360144181 1065045256 /nfs/dbraw/zinc/04/52/56/1065045256.db2.gz WFCGESADEHHVBT-SFHVURJKSA-N 1 1 494.865 4.627 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(Cl)cc2)CC1 ZINC001360143936 1065045285 /nfs/dbraw/zinc/04/52/85/1065045285.db2.gz QFSALEHAOXHKTQ-UHFFFAOYSA-N 1 1 477.838 4.658 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CC=CCC2)CC1 ZINC001360144294 1065046357 /nfs/dbraw/zinc/04/63/57/1065046357.db2.gz YMYZJPJOFGPFAE-IBGZPJMESA-N 1 1 458.448 4.984 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001545893972 1065049109 /nfs/dbraw/zinc/04/91/09/1065049109.db2.gz LTTJTIYUNRVJGR-MOPGFXCFSA-N 1 1 486.627 4.630 20 0 JJADMO C[C@H](c1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)no2)cc1)[NH+]1CCOCC1 ZINC001360148782 1065051572 /nfs/dbraw/zinc/05/15/72/1065051572.db2.gz NQLPHRVBPSZAEW-OAHLLOKOSA-N 1 1 456.340 4.750 20 0 JJADMO C[C@H](c1ccc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1)[NH+]1CCOCC1 ZINC001360149002 1065051671 /nfs/dbraw/zinc/05/16/71/1065051671.db2.gz WJOSKJANEFRVSC-QGZVFWFLSA-N 1 1 454.958 4.745 20 0 JJADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2c(C)onc2-c2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC001360150556 1065054287 /nfs/dbraw/zinc/05/42/87/1065054287.db2.gz GFNUPVRYFBFNID-BEFAXECRSA-N 1 1 453.505 4.536 20 0 JJADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)[C@@H](C)C1 ZINC001360150597 1065054631 /nfs/dbraw/zinc/05/46/31/1065054631.db2.gz HASMUDJKJKKEIQ-DOTOQJQBSA-N 1 1 457.562 4.501 20 0 JJADMO CC(C)N1CC[NH+](C2CCN(c3nnc(C(C)(C)C)n3C[C@H]3CCCCC(F)(F)C3)CC2)CC1 ZINC001360156226 1065057881 /nfs/dbraw/zinc/05/78/81/1065057881.db2.gz VDXOVXXPUOEMHS-NRFANRHFSA-N 1 1 480.692 4.786 20 0 JJADMO O=C(Nc1ccc(Br)c(F)c1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001360220365 1065085786 /nfs/dbraw/zinc/08/57/86/1065085786.db2.gz FPFDVIWAPSCMQA-VQTJNVASSA-N 1 1 454.343 4.838 20 0 JJADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1CC(C)(C)c1ccc(F)cc1 ZINC001360222257 1065087237 /nfs/dbraw/zinc/08/72/37/1065087237.db2.gz NFYQIJXOVGIMLA-FGZHOGPDSA-N 1 1 498.691 4.624 20 0 JJADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H]2c2cccs2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001360226097 1065089031 /nfs/dbraw/zinc/08/90/31/1065089031.db2.gz GQXRYRMWTWYHHI-WOJBJXKFSA-N 1 1 487.073 4.776 20 0 JJADMO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC001360233735 1065093419 /nfs/dbraw/zinc/09/34/19/1065093419.db2.gz PSWKKQLBBIIURM-LSCGWGKXSA-N 1 1 480.672 4.549 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC001360233735 1065093432 /nfs/dbraw/zinc/09/34/32/1065093432.db2.gz PSWKKQLBBIIURM-LSCGWGKXSA-N 1 1 480.672 4.549 20 0 JJADMO CSc1ncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1-c1ccc(F)cc1 ZINC001436015105 1065113753 /nfs/dbraw/zinc/11/37/53/1065113753.db2.gz LKCYJTYGCOAOCQ-QFIPXVFZSA-N 1 1 452.599 4.764 20 0 JJADMO CC(C)(C)OC(=O)Nc1cccc(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC001436017429 1065115771 /nfs/dbraw/zinc/11/57/71/1065115771.db2.gz LXOKBHMUTNGHAC-HSZRJFAPSA-N 1 1 451.611 4.993 20 0 JJADMO O=C(COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)NC1CCCCC1 ZINC001360288609 1065126807 /nfs/dbraw/zinc/12/68/07/1065126807.db2.gz YVEUKBOIXNYMEW-BJKOFHAPSA-N 1 1 454.998 4.548 20 0 JJADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)OCc3c(F)ccc(Br)c3F)cc2)C[C@@H](C)O1 ZINC001436033801 1065131559 /nfs/dbraw/zinc/13/15/59/1065131559.db2.gz MMPNAEVGCFBQEY-ZIAGYGMSSA-N 1 1 454.311 4.694 20 0 JJADMO CC(C)NC(=O)Nc1ccc(Cn2c(N3CC[NH+](Cc4ccsc4)CC3)nnc2C(C)(C)C)cc1 ZINC001360304661 1065138027 /nfs/dbraw/zinc/13/80/27/1065138027.db2.gz ODFFKXAPQXNRME-UHFFFAOYSA-N 1 1 495.697 4.538 20 0 JJADMO CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3ccccc3)n2CC[N@H+]2CCCC(C)(C)C2)CCOC1 ZINC001360320409 1065156217 /nfs/dbraw/zinc/15/62/17/1065156217.db2.gz XLDIIWSBWYEQPV-AJTFRIOCSA-N 1 1 469.674 4.638 20 0 JJADMO CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(F)c(Cl)c3)n2CC[N@@H+](C)C2CCCC2)CCOC1 ZINC001360325009 1065165663 /nfs/dbraw/zinc/16/56/63/1065165663.db2.gz WHCUSXQLWURVBS-RUZDIDTESA-N 1 1 494.055 4.622 20 0 JJADMO Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001360328007 1065170637 /nfs/dbraw/zinc/17/06/37/1065170637.db2.gz XAJJUZFMEADENR-GGAORHGYSA-N 1 1 453.602 4.786 20 0 JJADMO Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001360328008 1065170672 /nfs/dbraw/zinc/17/06/72/1065170672.db2.gz XAJJUZFMEADENR-GMAHTHKFSA-N 1 1 453.602 4.786 20 0 JJADMO C[C@@]1(CNC(=O)COc2ccc(Br)cc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC001436094429 1065176388 /nfs/dbraw/zinc/17/63/88/1065176388.db2.gz AZRVTVMYYUALFF-NRFANRHFSA-N 1 1 451.792 4.510 20 0 JJADMO Cc1cccc(CNC(=O)c2ccc(C(=O)NC[C@]3(C)CC[N@@H+](Cc4ccccc4)C3)cc2)c1 ZINC001436095040 1065176471 /nfs/dbraw/zinc/17/64/71/1065176471.db2.gz HOANTFAYPQGGSP-LJAQVGFWSA-N 1 1 455.602 4.567 20 0 JJADMO CC(C)O[C@]1(c2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCCC[N@H+]2CCCC[C@@H]2C)CCOC1 ZINC001360332638 1065177765 /nfs/dbraw/zinc/17/77/65/1065177765.db2.gz BDBBJMBPNZJMEB-VMODYCNZSA-N 1 1 475.722 4.846 20 0 JJADMO CC(C)O[C@]1(c2nnc(N3CCC(C(C)C)CC3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CCOC1 ZINC001360335570 1065182655 /nfs/dbraw/zinc/18/26/55/1065182655.db2.gz GITJAEDODRVGHB-QDPGVEIFSA-N 1 1 483.701 4.712 20 0 JJADMO CC(C)O[C@]1(c2nnc(N3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)n2CCC(C)(F)F)CCOC1 ZINC001360338287 1065187006 /nfs/dbraw/zinc/18/70/06/1065187006.db2.gz ATKGQNWKPWGJFG-HFZDXXHNSA-N 1 1 497.675 4.845 20 0 JJADMO CC(C)Oc1ccc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC[N@H+](C(C)C)CC2)cn1 ZINC001360357166 1065208396 /nfs/dbraw/zinc/20/83/96/1065208396.db2.gz DIVYJVYVYJVMKD-UHFFFAOYSA-N 1 1 499.059 4.662 20 0 JJADMO CC(C)Oc1cccc(CN(C)c2nnc(-c3ccccn3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001360360000 1065212466 /nfs/dbraw/zinc/21/24/66/1065212466.db2.gz NPPNITHOMYXUAR-SZPZYZBQSA-N 1 1 492.668 4.652 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C)CC2)n1C[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001545895913 1065231296 /nfs/dbraw/zinc/23/12/96/1065231296.db2.gz HYJZMIQDMQQTSU-OFVILXPXSA-N 1 1 480.701 4.660 20 0 JJADMO CCC[N@@H+](C)[C@@H](CNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)c1ccc(Cl)cc1 ZINC001436201169 1065247293 /nfs/dbraw/zinc/24/72/93/1065247293.db2.gz JECSVWKXGPXZQC-HKBOAZHASA-N 1 1 480.834 4.774 20 0 JJADMO CC(C)OCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001360385750 1065249265 /nfs/dbraw/zinc/24/92/65/1065249265.db2.gz JVJSJWPAHWTXOB-HXUWFJFHSA-N 1 1 469.033 4.519 20 0 JJADMO CC(C)OCCCn1c(-c2cccc3cccnc32)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001360386902 1065251109 /nfs/dbraw/zinc/25/11/09/1065251109.db2.gz SRANMFWMLBMTAK-UHFFFAOYSA-N 1 1 450.631 4.619 20 0 JJADMO CC(C)[C@H](SCc1ccccc1)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001360387122 1065251864 /nfs/dbraw/zinc/25/18/64/1065251864.db2.gz AEZFXPNEFPEIAT-ZEQRLZLVSA-N 1 1 453.652 4.749 20 0 JJADMO CC(C)OCCn1c(-c2ccc(Br)s2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001360396902 1065261199 /nfs/dbraw/zinc/26/11/99/1065261199.db2.gz BIOLBBKLZVUOSN-UHFFFAOYSA-N 1 1 484.508 4.751 20 0 JJADMO C[N@H+](CCC(F)(F)F)[C@@H](CNC(=O)c1cccnc1N1CCCC1)c1ccc(Cl)cc1 ZINC001436228366 1065266830 /nfs/dbraw/zinc/26/68/30/1065266830.db2.gz OYACWROMKYKTSG-IBGZPJMESA-N 1 1 454.924 4.691 20 0 JJADMO C[N@@H+](CCC(F)(F)F)[C@@H](CNC(=O)c1cccnc1N1CCCC1)c1ccc(Cl)cc1 ZINC001436228366 1065266848 /nfs/dbraw/zinc/26/68/48/1065266848.db2.gz OYACWROMKYKTSG-IBGZPJMESA-N 1 1 454.924 4.691 20 0 JJADMO C[N@H+](CCC(F)(F)F)[C@H](CNC(=O)[C@H]1CC[C@H]1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001436228154 1065266895 /nfs/dbraw/zinc/26/68/95/1065266895.db2.gz CYLVIRRLBKHAEM-RCCFBDPRSA-N 1 1 462.940 4.749 20 0 JJADMO C[N@@H+](CCC(F)(F)F)[C@H](CNC(=O)[C@H]1CC[C@H]1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001436228154 1065266904 /nfs/dbraw/zinc/26/69/04/1065266904.db2.gz CYLVIRRLBKHAEM-RCCFBDPRSA-N 1 1 462.940 4.749 20 0 JJADMO Cc1cc(Cl)cc(Br)c1OC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC001436233821 1065270284 /nfs/dbraw/zinc/27/02/84/1065270284.db2.gz GDOXLPKIYJZSKT-IAGOWNOFSA-N 1 1 454.796 4.564 20 0 JJADMO CC(C)OCC[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2CC(C)(C)C2)CC1 ZINC001360409241 1065272626 /nfs/dbraw/zinc/27/26/26/1065272626.db2.gz ASXZZHJCPGBXML-FQEVSTJZSA-N 1 1 473.637 4.540 20 0 JJADMO CC(C)OCC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2CC(C)(C)C2)CC1 ZINC001360409242 1065272660 /nfs/dbraw/zinc/27/26/60/1065272660.db2.gz ASXZZHJCPGBXML-HXUWFJFHSA-N 1 1 473.637 4.540 20 0 JJADMO CCCN(C)c1ccc(C(=O)Nc2cc(Br)ccc2N2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC001436258961 1065278074 /nfs/dbraw/zinc/27/80/74/1065278074.db2.gz MWRWZRNPRKCPGF-KRWDZBQOSA-N 1 1 459.432 4.688 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C)CC2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001545896539 1065281295 /nfs/dbraw/zinc/28/12/95/1065281295.db2.gz VBGBEDXFUUMMSW-OFNKIYASSA-N 1 1 458.695 4.620 20 0 JJADMO CC(C)SCCn1c(Cc2ccsc2)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001360422633 1065288965 /nfs/dbraw/zinc/28/89/65/1065288965.db2.gz GGJJSOFDYWYTRM-JOCHJYFZSA-N 1 1 455.697 4.783 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CC[C@@H](c4cccc(Br)c4)C3)cc2)C[C@H](C)O1 ZINC001436310998 1065293884 /nfs/dbraw/zinc/29/38/84/1065293884.db2.gz IMKBIJLUDUGPBZ-KGVIQGDOSA-N 1 1 457.412 4.688 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CC[C@@H](c4cccc(Br)c4)C3)cc2)C[C@H](C)O1 ZINC001436310998 1065293894 /nfs/dbraw/zinc/29/38/94/1065293894.db2.gz IMKBIJLUDUGPBZ-KGVIQGDOSA-N 1 1 457.412 4.688 20 0 JJADMO COc1ccc(Br)cc1C1(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC1 ZINC001436363715 1065302593 /nfs/dbraw/zinc/30/25/93/1065302593.db2.gz BWZBHMFNWUXVIQ-UHFFFAOYSA-N 1 1 457.412 4.660 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1C[C@]1(C)CCCS1 ZINC001545897493 1065305711 /nfs/dbraw/zinc/30/57/11/1065305711.db2.gz AJLPPZCLCMRCDO-UZINWLIJSA-N 1 1 490.762 4.573 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1C[C@@]1(C)CCCS1 ZINC001545897491 1065305830 /nfs/dbraw/zinc/30/58/30/1065305830.db2.gz AJLPPZCLCMRCDO-IPVFLDMMSA-N 1 1 490.762 4.573 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)n1CCc1ccc(C)cc1 ZINC001545897756 1065310214 /nfs/dbraw/zinc/31/02/14/1065310214.db2.gz GCLIBTYBBIRISA-NOZRDPDXSA-N 1 1 494.728 4.838 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1CCc1ccc(C)cc1 ZINC001545897758 1065310290 /nfs/dbraw/zinc/31/02/90/1065310290.db2.gz GCLIBTYBBIRISA-ZCYQVOJMSA-N 1 1 494.728 4.838 20 0 JJADMO CC(=O)N[C@@H](CC(=O)N1CC[N@H+](CCCc2ccccc2)C[C@@H]1CC(C)C)c1cccs1 ZINC001436435752 1065318913 /nfs/dbraw/zinc/31/89/13/1065318913.db2.gz YYEIWUPWKHWJRD-ZEQRLZLVSA-N 1 1 455.668 4.507 20 0 JJADMO C[C@H](c1ccc(F)cc1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)[NH+]1CCOCC1 ZINC001360437900 1065319879 /nfs/dbraw/zinc/31/98/79/1065319879.db2.gz SMNCIWYQGUCUFL-UEVCKROQSA-N 1 1 487.664 4.644 20 0 JJADMO Cc1c(C(=O)N2CCN(Cc3ccc(Cl)cc3)C[C@@H]2CC(C)C)cnn1-c1cc[nH+]cc1 ZINC001436521183 1065340981 /nfs/dbraw/zinc/34/09/81/1065340981.db2.gz PDYXMZXQSNAUKT-QHCPKHFHSA-N 1 1 452.002 4.602 20 0 JJADMO C[C@@H]1C[C@H](N(C)C(=O)CN(C(=O)c2ccccc2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001360458893 1065358971 /nfs/dbraw/zinc/35/89/71/1065358971.db2.gz BBADMKFREREECB-YIXXDRMTSA-N 1 1 455.602 4.845 20 0 JJADMO C[C@H](c1ccco1)N(C)c1nnc(COc2ccccc2F)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360460538 1065362579 /nfs/dbraw/zinc/36/25/79/1065362579.db2.gz BKJKAWAVYIJVJA-LJQANCHMSA-N 1 1 455.578 4.909 20 0 JJADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC(C)(F)F)CC1 ZINC001360466745 1065379367 /nfs/dbraw/zinc/37/93/67/1065379367.db2.gz HUHZRCFUOMGTFG-QGZVFWFLSA-N 1 1 463.573 4.998 20 0 JJADMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCCCO)CC1 ZINC001360467956 1065383320 /nfs/dbraw/zinc/38/33/20/1065383320.db2.gz VDMAZOMYSJSLSE-IBGZPJMESA-N 1 1 474.074 4.630 20 0 JJADMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC001436602069 1065394763 /nfs/dbraw/zinc/39/47/63/1065394763.db2.gz XCIJEWINCWSKNK-SFHVURJKSA-N 1 1 458.484 4.788 20 0 JJADMO CC(C)(C)OC(=O)C1(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)CC=CC1 ZINC001436631801 1065408231 /nfs/dbraw/zinc/40/82/31/1065408231.db2.gz NOIZTSOLLHHTKR-BJKOFHAPSA-N 1 1 464.581 4.588 20 0 JJADMO O=C(NC1CC[NH+](Cc2cccc(Br)c2)CC1)c1cscc1Br ZINC001436717112 1065429287 /nfs/dbraw/zinc/42/92/87/1065429287.db2.gz LYYCBMWGCPJAGI-UHFFFAOYSA-N 1 1 458.219 4.668 20 0 JJADMO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cccn2C)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001360503428 1065431399 /nfs/dbraw/zinc/43/13/99/1065431399.db2.gz LCUFBCVWUZTQRH-YKSBVNFPSA-N 1 1 464.658 4.567 20 0 JJADMO C[C@H](CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1cccs1)[N@@H+](C)Cc1ccccc1 ZINC001360504786 1065436568 /nfs/dbraw/zinc/43/65/68/1065436568.db2.gz BXIBPDMGMRJRTK-RTWAWAEBSA-N 1 1 480.682 4.684 20 0 JJADMO C[C@@H](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC001360505490 1065441448 /nfs/dbraw/zinc/44/14/48/1065441448.db2.gz PFXHGNLVAYPODR-ZWKOTPCHSA-N 1 1 471.447 4.935 20 0 JJADMO C[C@H](CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360508582 1065447094 /nfs/dbraw/zinc/44/70/94/1065447094.db2.gz FORDHJPDCGTFMV-FYYLOGMGSA-N 1 1 464.658 4.968 20 0 JJADMO C[C@@H](CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360508821 1065447998 /nfs/dbraw/zinc/44/79/98/1065447998.db2.gz JGEUIUJELIFKKX-ZCNNSNEGSA-N 1 1 456.585 4.911 20 0 JJADMO C[C@H](CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C(F)F)C1)[N@@H+](C)Cc1ccccc1 ZINC001360508844 1065449057 /nfs/dbraw/zinc/44/90/57/1065449057.db2.gz JMUWGDDYVORZDZ-FCEUIQTBSA-N 1 1 461.601 4.912 20 0 JJADMO C[C@H](CCn1c([C@H]2CCOC2)nnc1N1CC=C(C(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001360509369 1065449655 /nfs/dbraw/zinc/44/96/55/1065449655.db2.gz RBTUDBNLTUIRNY-GGAORHGYSA-N 1 1 451.659 4.875 20 0 JJADMO C[C@@H](CCn1c(C2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360509418 1065449665 /nfs/dbraw/zinc/44/96/65/1065449665.db2.gz RQNNSLBPIHYQJP-XUZZJYLKSA-N 1 1 496.700 4.950 20 0 JJADMO C[C@@H](CCn1c(Cc2ccncc2)nnc1N1CCC(OC(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001360510167 1065452644 /nfs/dbraw/zinc/45/26/44/1065452644.db2.gz FMEZLLZDRWDJEB-QHCPKHFHSA-N 1 1 490.696 4.958 20 0 JJADMO Cc1nn(-c2ccc(C(=O)NC[C@H](C)[N@@H+](C)Cc3ccccc3)cc2)c(C)c1Br ZINC001360511714 1065457317 /nfs/dbraw/zinc/45/73/17/1065457317.db2.gz UHAYHBAHTDYQDK-INIZCTEOSA-N 1 1 455.400 4.502 20 0 JJADMO C[C@@H](CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001360511601 1065457369 /nfs/dbraw/zinc/45/73/69/1065457369.db2.gz YUVBVQGHABHETJ-QHCPKHFHSA-N 1 1 494.728 4.616 20 0 JJADMO C[NH+](C)[C@@H](C(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1)c1cccc(Cl)c1 ZINC001360512742 1065460084 /nfs/dbraw/zinc/46/00/84/1065460084.db2.gz VSFVYGSEZWNXJM-JOCHJYFZSA-N 1 1 458.967 4.777 20 0 JJADMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3cnn(Cc4cc(F)ccc4Cl)c3)cc2)C[C@H](C)O1 ZINC001436967049 1065482977 /nfs/dbraw/zinc/48/29/77/1065482977.db2.gz SUYBIQNYZFQZGO-IRXDYDNUSA-N 1 1 456.949 4.585 20 0 JJADMO C[C@H](CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC[N@H+]1CCC[C@@H]1C)c1nccs1 ZINC001360519288 1065485219 /nfs/dbraw/zinc/48/52/19/1065485219.db2.gz KKEYTXINBJIARR-SJORKVTESA-N 1 1 476.597 4.727 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2cccs2)n1CC[N@@H+](C)C1CCCCC1 ZINC001545903809 1065491953 /nfs/dbraw/zinc/49/19/53/1065491953.db2.gz INBJDEHAAYBUJE-NRFANRHFSA-N 1 1 472.703 4.864 20 0 JJADMO COc1ccc(CC[C@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC001360524216 1065499101 /nfs/dbraw/zinc/49/91/01/1065499101.db2.gz WCJQOISFBDQPDD-JWQCQUIFSA-N 1 1 450.623 4.930 20 0 JJADMO C[C@@H](CN(C)c1nnc(CC(C)(C)C)n1CC[N@H+]1CCc2ccccc2C1)c1nccs1 ZINC001360526840 1065506036 /nfs/dbraw/zinc/50/60/36/1065506036.db2.gz URTHHURQUKLQFF-IBGZPJMESA-N 1 1 452.672 4.621 20 0 JJADMO CC(C)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@H](C)Oc1ccc(Cl)cc1 ZINC001360530556 1065511542 /nfs/dbraw/zinc/51/15/42/1065511542.db2.gz AVTRYAZVQHYTBG-SFHVURJKSA-N 1 1 460.047 4.906 20 0 JJADMO C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@@H](C)c1cccs1)[NH+]1CCOCC1 ZINC001360535447 1065517317 /nfs/dbraw/zinc/51/73/17/1065517317.db2.gz DEFHCRQVYRTUBY-SJORKVTESA-N 1 1 477.581 4.526 20 0 JJADMO C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@@H](C)c1cccs1)[NH+]1CCOCC1 ZINC001360535446 1065517481 /nfs/dbraw/zinc/51/74/81/1065517481.db2.gz DEFHCRQVYRTUBY-IRXDYDNUSA-N 1 1 477.581 4.526 20 0 JJADMO C[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCc1cccs1)[N@@H+](C)C1CC1 ZINC001360540278 1065524914 /nfs/dbraw/zinc/52/49/14/1065524914.db2.gz FYCKCCVGVXJBBE-INIZCTEOSA-N 1 1 474.472 4.931 20 0 JJADMO C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](C(F)(F)F)C1)[N@@H+](C)C1CC1 ZINC001360541132 1065527547 /nfs/dbraw/zinc/52/75/47/1065527547.db2.gz IFCAAMJUWGUGTO-UONOGXRCSA-N 1 1 459.919 4.999 20 0 JJADMO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCC(F)F)[N@H+]1CCc2ccccc2C1 ZINC001360542627 1065532059 /nfs/dbraw/zinc/53/20/59/1065532059.db2.gz ZVEJPWJZTLTWDM-INIZCTEOSA-N 1 1 460.960 4.532 20 0 JJADMO C[C@H](Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](C(F)F)C1)[N@@H+](C)C1CC1 ZINC001360544421 1065533975 /nfs/dbraw/zinc/53/39/75/1065533975.db2.gz IVZXKBIKEQPAEC-HUUCEWRRSA-N 1 1 468.390 4.672 20 0 JJADMO C[C@H](Cn1c(-c2ccccc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1)[N@@H+](C)C1CC1 ZINC001360544782 1065534842 /nfs/dbraw/zinc/53/48/42/1065534842.db2.gz PTASESHDZCBIMZ-CQSZACIVSA-N 1 1 450.534 4.540 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3CCC[C@@H]32)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001545906426 1065541033 /nfs/dbraw/zinc/54/10/33/1065541033.db2.gz YNMWVUYWXSYTKT-TZYHBYERSA-N 1 1 487.092 4.922 20 0 JJADMO C[C@@H](Cn1c(-c2cccnc2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1)[N@@H+](C)C1CC1 ZINC001360549790 1065541907 /nfs/dbraw/zinc/54/19/07/1065541907.db2.gz ZDDHFOHCMBSMEB-HRAATJIYSA-N 1 1 487.421 4.732 20 0 JJADMO Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1ccc(OCCC[NH+]2CCN(C)CC2)cc1 ZINC001437380516 1065545318 /nfs/dbraw/zinc/54/53/18/1065545318.db2.gz FBOQXDYFSVYUTB-JOCHJYFZSA-N 1 1 453.627 4.541 20 0 JJADMO C[NH+](C)[C@H](C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CCc2ccccc21)c1ccc(Cl)cc1 ZINC001437455459 1065554221 /nfs/dbraw/zinc/55/42/21/1065554221.db2.gz QFYACPWQTWREIS-UNMCSNQZSA-N 1 1 458.002 4.815 20 0 JJADMO C[NH+](C)[C@H](C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CCc2ccccc21)c1ccc(Cl)cc1 ZINC001437455457 1065554251 /nfs/dbraw/zinc/55/42/51/1065554251.db2.gz QFYACPWQTWREIS-IRLDBZIGSA-N 1 1 458.002 4.815 20 0 JJADMO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(Cl)=C(Cl)C1)[N@@H+](C)Cc1ccccc1 ZINC001360564015 1065554951 /nfs/dbraw/zinc/55/49/51/1065554951.db2.gz NJTGGQBJLZYWBS-IEBWSBKVSA-N 1 1 464.441 4.592 20 0 JJADMO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](c2ccnn2C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360568953 1065561428 /nfs/dbraw/zinc/56/14/28/1065561428.db2.gz HLTOVXMSZDPJGN-GMAHTHKFSA-N 1 1 463.674 4.505 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](SC)C2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001545907394 1065565485 /nfs/dbraw/zinc/56/54/85/1065565485.db2.gz HSVGUSKVHHLWJB-RPWUZVMVSA-N 1 1 498.741 4.583 20 0 JJADMO C[C@@H](Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1)[N@@H+](C)C1CC1 ZINC001360573236 1065567244 /nfs/dbraw/zinc/56/72/44/1065567244.db2.gz IATZQRPQJVZSMD-INIZCTEOSA-N 1 1 476.522 4.541 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001437554722 1065573536 /nfs/dbraw/zinc/57/35/36/1065573536.db2.gz XMMUFWTVYGFMBB-JIMJEQGWSA-N 1 1 477.649 4.808 20 0 JJADMO C[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001360583923 1065583091 /nfs/dbraw/zinc/58/30/91/1065583091.db2.gz NOZLTASRVNUIGF-HRAATJIYSA-N 1 1 496.483 4.898 20 0 JJADMO C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC(C)(C)OC[C@@H]1C)[N@@H+](C)C1CC1 ZINC001360584547 1065584390 /nfs/dbraw/zinc/58/43/90/1065584390.db2.gz XQYYNVLMYVDYNZ-PMACEKPBSA-N 1 1 469.674 4.641 20 0 JJADMO C[C@H](Cn1c(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)nnc1C(C)(C)C)c1nccs1 ZINC001360587762 1065589865 /nfs/dbraw/zinc/58/98/65/1065589865.db2.gz TXGDOULQWDAFTK-GOSISDBHSA-N 1 1 456.635 4.687 20 0 JJADMO CC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001437733298 1065597061 /nfs/dbraw/zinc/59/70/61/1065597061.db2.gz ZOBDRJBAWOYLQT-DHIUTWEWSA-N 1 1 459.675 4.931 20 0 JJADMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)cc1 ZINC001437821982 1065615763 /nfs/dbraw/zinc/61/57/63/1065615763.db2.gz CYVVDROAFIEECR-QGZVFWFLSA-N 1 1 452.904 4.790 20 0 JJADMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)cc1 ZINC001437821982 1065615771 /nfs/dbraw/zinc/61/57/71/1065615771.db2.gz CYVVDROAFIEECR-QGZVFWFLSA-N 1 1 452.904 4.790 20 0 JJADMO C[C@H](CNC(=O)OC(C)(C)C)Cn1c(C2CCC2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001360611996 1065650988 /nfs/dbraw/zinc/65/09/88/1065650988.db2.gz WFTUMJNUZLLUSZ-ZJSXRUAMSA-N 1 1 496.700 4.807 20 0 JJADMO C[C@H](COCc1ccccc1)Cn1c([C@H]2CCCCO2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001360613826 1065658571 /nfs/dbraw/zinc/65/85/71/1065658571.db2.gz IAOZQAQQFORXED-LADGPHEKSA-N 1 1 469.674 4.683 20 0 JJADMO CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC001438056687 1065660284 /nfs/dbraw/zinc/66/02/84/1065660284.db2.gz ITWSAAQEHXUFCU-HXUWFJFHSA-N 1 1 451.586 4.842 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(-c2ccc(Br)cc2)n1C ZINC001360639193 1065707013 /nfs/dbraw/zinc/70/70/13/1065707013.db2.gz DOENOMQZVNMLMW-GOSISDBHSA-N 1 1 452.396 4.801 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(-c2ccc(Br)cc2)n1C ZINC001360639193 1065707026 /nfs/dbraw/zinc/70/70/26/1065707026.db2.gz DOENOMQZVNMLMW-GOSISDBHSA-N 1 1 452.396 4.801 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)C(F)(F)c2ccccc2C)cc1 ZINC001438331932 1065710461 /nfs/dbraw/zinc/71/04/61/1065710461.db2.gz JYGXTELEXZABEC-UKILVPOCSA-N 1 1 450.529 4.880 20 0 JJADMO COc1ccc(C[C@H](C)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)cc1 ZINC001438335158 1065711211 /nfs/dbraw/zinc/71/12/11/1065711211.db2.gz OCGFPVOQBNLFRR-YNOBPPCASA-N 1 1 458.602 4.667 20 0 JJADMO COc1ccc(C[C@@H](C)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)cc1 ZINC001438335153 1065711268 /nfs/dbraw/zinc/71/12/68/1065711268.db2.gz OCGFPVOQBNLFRR-AOLGGSBGSA-N 1 1 458.602 4.667 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)[C@@H](C[C@@H]2CCCO2)C(F)(F)F)cc1 ZINC001438334593 1065711639 /nfs/dbraw/zinc/71/16/39/1065711639.db2.gz MGDLYNSQUUSVFF-CJRSTVEYSA-N 1 1 476.539 4.527 20 0 JJADMO Cc1cc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c2cc(Br)ccc2n1 ZINC001438338419 1065711998 /nfs/dbraw/zinc/71/19/98/1065711998.db2.gz WTHWDVKFLWTPOD-LPHOPBHVSA-N 1 1 452.396 4.804 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)[C@]2(C(=O)OC(C)(C)C)CC2(C)C)cc1 ZINC001438345515 1065713522 /nfs/dbraw/zinc/71/35/22/1065713522.db2.gz ZPEVLLSGOQNCEP-IRYADYCUSA-N 1 1 478.633 4.537 20 0 JJADMO C[C@H](Cn1c(C2CCC2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360641779 1065714577 /nfs/dbraw/zinc/71/45/77/1065714577.db2.gz NDMWTCLFJAYUJT-DPLHUUCSSA-N 1 1 496.700 4.806 20 0 JJADMO C[NH+]1CCN(c2ccc(NC(=O)COc3ccc(Oc4ccccc4)cc3)cc2Cl)CC1 ZINC001360643850 1065718264 /nfs/dbraw/zinc/71/82/64/1065718264.db2.gz CWQXUKPJMWZRTI-UHFFFAOYSA-N 1 1 451.954 4.902 20 0 JJADMO C[C@@H]([NH2+]C(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(C2CCC2)CC1)c1ccccc1 ZINC001360644702 1065719437 /nfs/dbraw/zinc/71/94/37/1065719437.db2.gz BHOJTTQPNCYZRD-OAQYLSRUSA-N 1 1 452.691 4.671 20 0 JJADMO CC[N@H+]1CC[C@@H](N(C)C(=O)CCCCCc2ccc(I)cc2)[C@@H](C)C1 ZINC001360648524 1065724067 /nfs/dbraw/zinc/72/40/67/1065724067.db2.gz ROEDRTFJEZHBPA-FXAWDEMLSA-N 1 1 456.412 4.583 20 0 JJADMO CC[N@H+]1CC[C@H](N(C)C(=O)CCCCCc2ccc(I)cc2)[C@@H](C)C1 ZINC001360648525 1065724249 /nfs/dbraw/zinc/72/42/49/1065724249.db2.gz ROEDRTFJEZHBPA-PXNSSMCTSA-N 1 1 456.412 4.583 20 0 JJADMO CN(C(=O)c1ccc(NC(=O)/C=C\c2ccsc2C(F)(F)F)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC001360658706 1065727811 /nfs/dbraw/zinc/72/78/11/1065727811.db2.gz OAQRNNLEMHBARL-VOCYLRNQSA-N 1 1 451.514 4.585 20 0 JJADMO CN(C(=O)c1ccc(NC(=O)/C=C/c2ccsc2C(F)(F)F)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC001360658703 1065727959 /nfs/dbraw/zinc/72/79/59/1065727959.db2.gz OAQRNNLEMHBARL-HKMNZKMDSA-N 1 1 451.514 4.585 20 0 JJADMO CCc1cc2c(CC(=O)Nc3ccc(C(=O)N(C)[C@@H]4CCC[N@@H+](C)C4)cc3)csc2s1 ZINC001360658270 1065727994 /nfs/dbraw/zinc/72/79/94/1065727994.db2.gz JRMAZWUFZACEAQ-LJQANCHMSA-N 1 1 455.649 4.873 20 0 JJADMO CCc1nc(C(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)nn1-c1c(Cl)cccc1Cl ZINC001438578101 1065733242 /nfs/dbraw/zinc/73/32/42/1065733242.db2.gz IZVVUGYIENMEKD-MRXNPFEDSA-N 1 1 450.414 4.663 20 0 JJADMO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360711682 1065743606 /nfs/dbraw/zinc/74/36/06/1065743606.db2.gz LPEHLCHRCSGPMB-FTRWYGJKSA-N 1 1 453.435 4.880 20 0 JJADMO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360711682 1065743616 /nfs/dbraw/zinc/74/36/16/1065743616.db2.gz LPEHLCHRCSGPMB-FTRWYGJKSA-N 1 1 453.435 4.880 20 0 JJADMO C[C@H](NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360711418 1065743922 /nfs/dbraw/zinc/74/39/22/1065743922.db2.gz FYBWKOUBIKWRKQ-SBUREZEXSA-N 1 1 458.480 4.985 20 0 JJADMO C[C@H](NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360711418 1065743933 /nfs/dbraw/zinc/74/39/33/1065743933.db2.gz FYBWKOUBIKWRKQ-SBUREZEXSA-N 1 1 458.480 4.985 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(CC3CCCC3)n2Cc2ccc([C@H](C)O)cc2)CC1 ZINC001360733582 1065762036 /nfs/dbraw/zinc/76/20/36/1065762036.db2.gz YMXDYUSSFRENQK-NRFANRHFSA-N 1 1 453.675 4.669 20 0 JJADMO C[C@@H]1C[C@@H](N(C)C(=O)CC(C)(C)NC(=O)OCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001360735237 1065763286 /nfs/dbraw/zinc/76/32/86/1065763286.db2.gz PIGHPEOAMLKEOD-QPPBQGQZSA-N 1 1 451.611 4.593 20 0 JJADMO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC001360735925 1065764470 /nfs/dbraw/zinc/76/44/70/1065764470.db2.gz ZPWXLENXCVOINC-YKSBVNFPSA-N 1 1 451.611 4.836 20 0 JJADMO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCc1cc(-c2ccc(F)cc2F)on1 ZINC001439003750 1065776471 /nfs/dbraw/zinc/77/64/71/1065776471.db2.gz XMXYZTJXMKRXFD-QGZVFWFLSA-N 1 1 455.505 4.803 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2COc3ccc(Br)cc32)CCCCC1 ZINC001439096809 1065784747 /nfs/dbraw/zinc/78/47/47/1065784747.db2.gz MDOLEEAKOKXPKI-OAQYLSRUSA-N 1 1 457.412 4.876 20 0 JJADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC[C@H]1CCCCO1 ZINC001360745748 1065786444 /nfs/dbraw/zinc/78/64/44/1065786444.db2.gz PAIOFKXOQDHUGU-RBBKRZOGSA-N 1 1 473.637 4.827 20 0 JJADMO CCC(CC)(C(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1)c1ccc(OC)c(OC)c1 ZINC001439110801 1065788016 /nfs/dbraw/zinc/78/80/16/1065788016.db2.gz LXQWVZAWIHZYAT-KCWPFWIISA-N 1 1 450.623 4.742 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Cc1ccc(OCCOc2ccccc2)cc1 ZINC001360748274 1065789892 /nfs/dbraw/zinc/78/98/92/1065789892.db2.gz UZJHNFZHXXEWJU-DEOSSOPVSA-N 1 1 458.602 4.810 20 0 JJADMO CC(C)N1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001360749005 1065790821 /nfs/dbraw/zinc/79/08/21/1065790821.db2.gz JYLYNVCSLYWDFF-BWKNWUBXSA-N 1 1 486.680 4.598 20 0 JJADMO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC(F)F)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001360754063 1065802145 /nfs/dbraw/zinc/80/21/45/1065802145.db2.gz NSFORNIGYIKSSZ-HZPDHXFCSA-N 1 1 464.948 4.622 20 0 JJADMO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC(F)F)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001360754151 1065803070 /nfs/dbraw/zinc/80/30/70/1065803070.db2.gz OXWJCXOAPHAEPY-CVEARBPZSA-N 1 1 464.948 4.622 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 ZINC001360755222 1065808118 /nfs/dbraw/zinc/80/81/18/1065808118.db2.gz AUNNZYBPFFZRPZ-ACRUOGEOSA-N 1 1 476.065 4.665 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCC(C)(C)O)CC1 ZINC001360757511 1065819502 /nfs/dbraw/zinc/81/95/02/1065819502.db2.gz CPQTZAYNQDTZSP-IBGZPJMESA-N 1 1 478.081 4.789 20 0 JJADMO COC(=O)c1cc(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)ccc1SC ZINC001439397632 1065824170 /nfs/dbraw/zinc/82/41/70/1065824170.db2.gz FZUBOBWVFYHARK-OAQYLSRUSA-N 1 1 452.498 4.588 20 0 JJADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1nccs1 ZINC001360758393 1065824782 /nfs/dbraw/zinc/82/47/82/1065824782.db2.gz RLFYCUZUNFHQQU-KRWDZBQOSA-N 1 1 475.062 4.887 20 0 JJADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H]1OCC[C@H]1C ZINC001360758647 1065825711 /nfs/dbraw/zinc/82/57/11/1065825711.db2.gz ULCCRHQLLDZZAL-XQBPLPMBSA-N 1 1 476.065 4.807 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCOC(F)F)CC1 ZINC001360759073 1065827927 /nfs/dbraw/zinc/82/79/27/1065827927.db2.gz XUEGCHOJWWSPLX-KRWDZBQOSA-N 1 1 471.980 4.621 20 0 JJADMO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H](C(F)F)C2)n1CC[N@@H+]1CC=CCC1 ZINC001360759193 1065828391 /nfs/dbraw/zinc/82/83/91/1065828391.db2.gz YWKBTFXQULIRLL-MSOLQXFVSA-N 1 1 465.976 4.815 20 0 JJADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCCC(C)(C)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001360759213 1065828778 /nfs/dbraw/zinc/82/87/78/1065828778.db2.gz YWYRHSIWHGAKFN-PZJWPPBQSA-N 1 1 476.065 4.545 20 0 JJADMO C[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001360760855 1065834613 /nfs/dbraw/zinc/83/46/13/1065834613.db2.gz UKUUIZWFBSSMPV-KGVIQGDOSA-N 1 1 476.065 4.806 20 0 JJADMO CC(C)[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1ccsc1)[NH+]1CCOCC1 ZINC001360764432 1065844557 /nfs/dbraw/zinc/84/45/57/1065844557.db2.gz AKGWOICULJRSDM-KNQAVFIVSA-N 1 1 487.645 4.612 20 0 JJADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2cccc(-c3cccc(Br)c3)c2)cn1 ZINC001439601971 1065847081 /nfs/dbraw/zinc/84/70/81/1065847081.db2.gz WHVBABQOCUBHMY-YADHBBJMSA-N 1 1 453.384 4.524 20 0 JJADMO C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccccn2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001360765330 1065849903 /nfs/dbraw/zinc/84/99/03/1065849903.db2.gz PJFCIXWIIWSWKE-RTWAWAEBSA-N 1 1 466.605 4.853 20 0 JJADMO CC(C)[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CC1CCCCC1)[NH+]1CCOCC1 ZINC001360765621 1065850495 /nfs/dbraw/zinc/85/04/95/1065850495.db2.gz VMCFFHTUGXQBSZ-URXFXBBRSA-N 1 1 487.664 4.931 20 0 JJADMO Cc1ccc(Br)nc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001439817671 1065881277 /nfs/dbraw/zinc/88/12/77/1065881277.db2.gz FVFLHLQLUAFSHD-LEWJYISDSA-N 1 1 450.380 4.551 20 0 JJADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCSC[C@H]2C)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001360777708 1065882524 /nfs/dbraw/zinc/88/25/24/1065882524.db2.gz DKFQRBAJNFIDJV-ZCNNSNEGSA-N 1 1 461.651 4.763 20 0 JJADMO CC1(C)CCC[N@@H+](CCn2c(COc3ccc(F)cc3)nnc2N2CCC=C(Br)C2)C1 ZINC001360808720 1065922320 /nfs/dbraw/zinc/92/23/20/1065922320.db2.gz SFVYICZQJSXKRB-UHFFFAOYSA-N 1 1 492.437 4.607 20 0 JJADMO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360808912 1065922653 /nfs/dbraw/zinc/92/26/53/1065922653.db2.gz WQLJXUJIFUTLIV-XJGOYTCSSA-N 1 1 489.749 4.960 20 0 JJADMO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360808910 1065922714 /nfs/dbraw/zinc/92/27/14/1065922714.db2.gz WQLJXUJIFUTLIV-DQCZWYHMSA-N 1 1 489.749 4.960 20 0 JJADMO O=C(N[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1cn2cc(Cl)cc(Cl)c2n1 ZINC001440300939 1065929196 /nfs/dbraw/zinc/92/91/96/1065929196.db2.gz RGPBOTUNUGUAAC-LJQANCHMSA-N 1 1 457.283 4.578 20 0 JJADMO O=C(N[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1cn2cc(Cl)cc(Cl)c2n1 ZINC001440300939 1065929204 /nfs/dbraw/zinc/92/92/04/1065929204.db2.gz RGPBOTUNUGUAAC-LJQANCHMSA-N 1 1 457.283 4.578 20 0 JJADMO C[NH+](C)[C@@H](CNC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl)c1ccccc1Cl ZINC001440374830 1065934080 /nfs/dbraw/zinc/93/40/80/1065934080.db2.gz MUDOGNATKRCLFG-IBGZPJMESA-N 1 1 451.398 4.946 20 0 JJADMO Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC001440439304 1065940841 /nfs/dbraw/zinc/94/08/41/1065940841.db2.gz VWNXOVGBGAAYPM-UHFFFAOYSA-N 1 1 451.014 4.646 20 0 JJADMO CC1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CC[N@@H+]1CCOCC1(C)C ZINC001360830607 1065942871 /nfs/dbraw/zinc/94/28/71/1065942871.db2.gz WQALGUKFZNWQFF-UHFFFAOYSA-N 1 1 452.430 4.742 20 0 JJADMO CC1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CC[N@H+]1CCOCC1(C)C ZINC001360830607 1065942876 /nfs/dbraw/zinc/94/28/76/1065942876.db2.gz WQALGUKFZNWQFF-UHFFFAOYSA-N 1 1 452.430 4.742 20 0 JJADMO COc1ccc(CC(=O)N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)cc1O ZINC001440649860 1065958691 /nfs/dbraw/zinc/95/86/91/1065958691.db2.gz GZPDGWGPPFAKOM-UHFFFAOYSA-N 1 1 456.995 4.670 20 0 JJADMO CC1=C(Br)CN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001360850417 1065960611 /nfs/dbraw/zinc/96/06/11/1065960611.db2.gz CTKNRMCXPGYCNL-ZWKOTPCHSA-N 1 1 492.437 4.921 20 0 JJADMO CC1=C(Br)CN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001360850415 1065960636 /nfs/dbraw/zinc/96/06/36/1065960636.db2.gz CTKNRMCXPGYCNL-QZTJIDSGSA-N 1 1 492.437 4.921 20 0 JJADMO Cc1nc(-c2ccc(C)c(C(F)(F)F)c2)sc1C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001440673957 1065961951 /nfs/dbraw/zinc/96/19/51/1065961951.db2.gz GVSRFARAZBNOAF-KRWDZBQOSA-N 1 1 455.546 4.532 20 0 JJADMO Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001440709995 1065969514 /nfs/dbraw/zinc/96/95/14/1065969514.db2.gz ZZKLCKIHRHFLJD-HXUWFJFHSA-N 1 1 457.405 4.729 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(CCCc2ccccc2)nnc1N1CCC(C)=C(Br)C1 ZINC001360853610 1065970275 /nfs/dbraw/zinc/97/02/75/1065970275.db2.gz IIBKYQKDDLQKOX-UHFFFAOYSA-N 1 1 483.458 4.928 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC(C)=C(Br)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cs1 ZINC001360853720 1065970667 /nfs/dbraw/zinc/97/06/67/1065970667.db2.gz IQZMGGHYTSTIMU-LJQANCHMSA-N 1 1 493.519 4.633 20 0 JJADMO O=C(CCc1cc2ccccc2[nH]c1=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001440722713 1065971014 /nfs/dbraw/zinc/97/10/14/1065971014.db2.gz NNHYKJMGUYEWGN-UHFFFAOYSA-N 1 1 457.496 4.626 20 0 JJADMO CC1=C(Br)CN(c2nnc(Cc3ccsc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001360853843 1065971284 /nfs/dbraw/zinc/97/12/84/1065971284.db2.gz LCLKWCHSSHDZJV-LJQANCHMSA-N 1 1 478.504 4.930 20 0 JJADMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC001440735926 1065972895 /nfs/dbraw/zinc/97/28/95/1065972895.db2.gz UDOPHOBMZRDBGH-QGZVFWFLSA-N 1 1 459.871 4.581 20 0 JJADMO C[C@@H]1C[N@H+](CCCNC(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)C[C@H](C)O1 ZINC001440826757 1065981793 /nfs/dbraw/zinc/98/17/93/1065981793.db2.gz NNXACICWTYIYSC-JKSBSHDWSA-N 1 1 451.007 4.928 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)c1C ZINC001360865383 1065984342 /nfs/dbraw/zinc/98/43/42/1065984342.db2.gz ANEVLCGKQRKMGL-GMAHTHKFSA-N 1 1 498.716 4.506 20 0 JJADMO Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC[N@H+]1CCC[C@@H]1C ZINC001360865820 1065985764 /nfs/dbraw/zinc/98/57/64/1065985764.db2.gz JAFBEOWIKRJODG-WMZHIEFXSA-N 1 1 479.673 4.506 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)CCC3CCOCC3)n2CC[N@H+]2CCC[C@H]2C)c1C ZINC001360868633 1065992748 /nfs/dbraw/zinc/99/27/48/1065992748.db2.gz JGIIIPAOAJOXAZ-GGAORHGYSA-N 1 1 469.674 4.772 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccon3)n2CC[N@@H+](C)C2CCCCC2)c1C ZINC001360868769 1065993892 /nfs/dbraw/zinc/99/38/92/1065993892.db2.gz JTDGCWJRAFPSEA-OAQYLSRUSA-N 1 1 466.630 4.924 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CCc2ccsc2)c1C ZINC001360869219 1065996297 /nfs/dbraw/zinc/99/62/97/1065996297.db2.gz MUGNYEJNFGJNOH-QFIPXVFZSA-N 1 1 497.709 4.886 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CCc2ccsc2)c1C ZINC001360869219 1065996307 /nfs/dbraw/zinc/99/63/07/1065996307.db2.gz MUGNYEJNFGJNOH-QFIPXVFZSA-N 1 1 497.709 4.886 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccon3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c1C ZINC001360869265 1065997227 /nfs/dbraw/zinc/99/72/27/1065997227.db2.gz NMLKJZVSJDXSHQ-FCHUYYIVSA-N 1 1 466.630 4.780 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3C[C@H]4CCC[N@H+]4C[C@H]3C)n2CCOCCC(C)C)c1C ZINC001360870020 1066000834 /nfs/dbraw/zinc/00/08/34/1066000834.db2.gz LYAKDBBABPHZQQ-GMKZXUHWSA-N 1 1 469.674 4.771 20 0 JJADMO O=C(CCCOc1cccnc1)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC001441118714 1066008906 /nfs/dbraw/zinc/00/89/06/1066008906.db2.gz NMAWHRZKDWQBIM-UHFFFAOYSA-N 1 1 456.011 4.967 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCCCCC3)n2CCCC[N@H+]2CCC[C@@H]2CO)c1C ZINC001360873561 1066009347 /nfs/dbraw/zinc/00/93/47/1066009347.db2.gz FPDCOGNSNPHOEP-DNQXCXABSA-N 1 1 469.674 4.652 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H]2CCOC[C@@H]2C)c1C ZINC001360873815 1066010844 /nfs/dbraw/zinc/01/08/44/1066010844.db2.gz IGBPNTOKUXIXTR-QTJGBDASSA-N 1 1 469.674 4.628 20 0 JJADMO CC(C)(C)OC(=O)NC[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCCCC1 ZINC001441220166 1066016434 /nfs/dbraw/zinc/01/64/34/1066016434.db2.gz BMEVUYKMWUPFQS-RPWUZVMVSA-N 1 1 457.659 4.879 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC[N@@H+]4[C@H](C)CC[C@@H]4C)CC3)n2CC(C)C)c1C ZINC001360877094 1066021952 /nfs/dbraw/zinc/02/19/52/1066021952.db2.gz HUNOFMZZMGTSKM-GIFXNVAJSA-N 1 1 482.717 4.686 20 0 JJADMO CCN1CC[NH+](Cc2ccc(NC(=O)c3cn(-c4ccc(C)cc4)nc3C(C)(C)C)cc2)CC1 ZINC001441312083 1066024931 /nfs/dbraw/zinc/02/49/31/1066024931.db2.gz PSVOAMJQMLAHEJ-UHFFFAOYSA-N 1 1 459.638 4.868 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+]([C@H](C)c4ccsc4)CC3)n2CC(C)(C)O)c1C ZINC001360878491 1066025896 /nfs/dbraw/zinc/02/58/96/1066025896.db2.gz VSXXTVOKBLARQP-RTWAWAEBSA-N 1 1 483.682 4.751 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3cc(OCc4ccccc4)cs3)cc2)C[C@H](C)O1 ZINC001441317348 1066026869 /nfs/dbraw/zinc/02/68/69/1066026869.db2.gz GCTXAYQUDAFWBV-BGYRXZFFSA-N 1 1 450.604 4.866 20 0 JJADMO CSc1ncc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)n1-c1ccc(F)cc1 ZINC001441325487 1066028559 /nfs/dbraw/zinc/02/85/59/1066028559.db2.gz HOVMSHKVIWQLJO-HXUWFJFHSA-N 1 1 458.990 4.954 20 0 JJADMO C[C@H]1CCC[N@@H+](CCNC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc32)C1 ZINC001441352384 1066032210 /nfs/dbraw/zinc/03/22/10/1066032210.db2.gz MJTZIFBTQDNWBU-INIZCTEOSA-N 1 1 453.384 4.521 20 0 JJADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001441353735 1066032591 /nfs/dbraw/zinc/03/25/91/1066032591.db2.gz JEXWMPNTZPWOBC-REWPJTCUSA-N 1 1 455.643 4.714 20 0 JJADMO O=C(NCCc1ccc(N2CCCCC2)cc1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001441371353 1066036008 /nfs/dbraw/zinc/03/60/08/1066036008.db2.gz NBJNGVLPLFLPGI-VWLOTQADSA-N 1 1 459.556 4.790 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)CSc3ccc(C(F)(F)F)cn3)cc2)C1 ZINC001441463865 1066043717 /nfs/dbraw/zinc/04/37/17/1066043717.db2.gz NICOWUVWDGFLHD-CALCHBBNSA-N 1 1 451.558 4.987 20 0 JJADMO COc1ccc(C2(C(=O)NCc3ccc(C[N@@H+]4C[C@H](C)C[C@H](C)C4)cc3)CCC2)cc1OC ZINC001441475649 1066044811 /nfs/dbraw/zinc/04/48/11/1066044811.db2.gz ANKSZLMVDVZFDR-OYRHEFFESA-N 1 1 450.623 4.920 20 0 JJADMO CC1=C(C)CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001360892985 1066045157 /nfs/dbraw/zinc/04/51/57/1066045157.db2.gz UCJIDOFLJWIVDV-KNQAVFIVSA-N 1 1 472.678 4.629 20 0 JJADMO CCN(Cc1ccccc1)c1ccc(C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC001441491517 1066045914 /nfs/dbraw/zinc/04/59/14/1066045914.db2.gz GTMDIUMDZHZCLO-DEOSSOPVSA-N 1 1 456.634 4.654 20 0 JJADMO C[C@@H](CNC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC001441509025 1066047350 /nfs/dbraw/zinc/04/73/50/1066047350.db2.gz OKEJDPRGRXIJIE-FQEVSTJZSA-N 1 1 459.556 4.844 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(C)(C)[C@H](O)c2ccc(OCc3ccccc3)cc2)C1 ZINC001441512788 1066047596 /nfs/dbraw/zinc/04/75/96/1066047596.db2.gz POLBZPHFVNAMKZ-TVZXLZGTSA-N 1 1 452.639 4.809 20 0 JJADMO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2O)C1 ZINC001441522929 1066047951 /nfs/dbraw/zinc/04/79/51/1066047951.db2.gz GVSGDRUIQKCBTQ-OAHLLOKOSA-N 1 1 450.004 4.601 20 0 JJADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2O)C1 ZINC001441522929 1066047960 /nfs/dbraw/zinc/04/79/60/1066047960.db2.gz GVSGDRUIQKCBTQ-OAHLLOKOSA-N 1 1 450.004 4.601 20 0 JJADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)cc1 ZINC001441561662 1066051219 /nfs/dbraw/zinc/05/12/19/1066051219.db2.gz OJFUUUMZAAENAZ-MSPRMREJSA-N 1 1 454.574 4.866 20 0 JJADMO Cc1nc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)sc1C ZINC001360901156 1066054683 /nfs/dbraw/zinc/05/46/83/1066054683.db2.gz HDIFGYOOOUKHTI-UHFFFAOYSA-N 1 1 490.624 4.979 20 0 JJADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1cc(Br)c(C)cc1Br ZINC001441684975 1066061296 /nfs/dbraw/zinc/06/12/96/1066061296.db2.gz YPIKFWFUDFFIFB-UHFFFAOYSA-N 1 1 450.134 4.661 20 0 JJADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(-c2cccc(Br)c2)no1 ZINC001360908291 1066063618 /nfs/dbraw/zinc/06/36/18/1066063618.db2.gz CCXIZFCDBJAAHW-GOSISDBHSA-N 1 1 454.368 4.698 20 0 JJADMO Cc1nc(-c2ccccc2)sc1-c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCC[N@H+](C)C(C)C ZINC001360910402 1066066288 /nfs/dbraw/zinc/06/62/88/1066066288.db2.gz FPYCXBCDXOCZOO-KDURUIRLSA-N 1 1 468.671 4.721 20 0 JJADMO Cc1nc(-c2ccccc2)sc1-c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CCC[N@H+](C)C(C)C ZINC001360910403 1066066327 /nfs/dbraw/zinc/06/63/27/1066066327.db2.gz FPYCXBCDXOCZOO-OALUTQOASA-N 1 1 468.671 4.721 20 0 JJADMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC001441809635 1066071464 /nfs/dbraw/zinc/07/14/64/1066071464.db2.gz HYUJJPOIXUJLNV-ZWKOTPCHSA-N 1 1 454.439 4.748 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)cn1 ZINC001441878769 1066076517 /nfs/dbraw/zinc/07/65/17/1066076517.db2.gz VMEYOGFBZDGTHG-UHFFFAOYSA-N 1 1 453.333 4.951 20 0 JJADMO Cc1occc1CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001360929316 1066084742 /nfs/dbraw/zinc/08/47/42/1066084742.db2.gz BLVBHCLDSJMTFU-FPOVZHCZSA-N 1 1 485.604 4.596 20 0 JJADMO Cc1ncsc1CN(C)c1nnc(-c2cccc(Br)c2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001360929453 1066085166 /nfs/dbraw/zinc/08/51/66/1066085166.db2.gz FXRGAHGEYQAYLN-MRXNPFEDSA-N 1 1 489.487 4.841 20 0 JJADMO CCN(C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001442078445 1066090732 /nfs/dbraw/zinc/09/07/32/1066090732.db2.gz SLMINMKPTMVHFO-CVDCTZTESA-N 1 1 452.599 4.655 20 0 JJADMO C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]1C[C@@]12CCN(C(=O)OC(C)(C)C)C2)C1CCCCC1 ZINC001442082217 1066091267 /nfs/dbraw/zinc/09/12/67/1066091267.db2.gz XZNNNVASIJAVBR-WNCULLNHSA-N 1 1 455.643 4.714 20 0 JJADMO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001442103288 1066093301 /nfs/dbraw/zinc/09/33/01/1066093301.db2.gz KGNRYEBWISTJGX-UHFFFAOYSA-N 1 1 451.933 4.765 20 0 JJADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)c3cccnc3SCC3CCCCC3)c2)CCO1 ZINC001442110281 1066094740 /nfs/dbraw/zinc/09/47/40/1066094740.db2.gz CTYUFNIJIARLAN-HXUWFJFHSA-N 1 1 453.652 4.905 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)c3cccnc3SCC3CCCCC3)c2)CCO1 ZINC001442110281 1066094754 /nfs/dbraw/zinc/09/47/54/1066094754.db2.gz CTYUFNIJIARLAN-HXUWFJFHSA-N 1 1 453.652 4.905 20 0 JJADMO C[C@@H](C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cccc(C(=O)c2ccccc2)c1 ZINC001442111736 1066095132 /nfs/dbraw/zinc/09/51/32/1066095132.db2.gz KWIJIHJQHAQTPA-FCHUYYIVSA-N 1 1 456.586 4.558 20 0 JJADMO C[C@@H](C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cccc(C(=O)c2ccccc2)c1 ZINC001442111736 1066095140 /nfs/dbraw/zinc/09/51/40/1066095140.db2.gz KWIJIHJQHAQTPA-FCHUYYIVSA-N 1 1 456.586 4.558 20 0 JJADMO CCCOc1nc2ccccc2cc1/C=C\C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001442111762 1066095237 /nfs/dbraw/zinc/09/52/37/1066095237.db2.gz KXNLBMZWQSEMBZ-GMGKOPGTSA-N 1 1 459.590 4.574 20 0 JJADMO CCCOc1nc2ccccc2cc1/C=C\C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001442111762 1066095249 /nfs/dbraw/zinc/09/52/49/1066095249.db2.gz KXNLBMZWQSEMBZ-GMGKOPGTSA-N 1 1 459.590 4.574 20 0 JJADMO COc1ccc([C@H](NC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)c2ccc(F)cc2)cc1 ZINC001442149679 1066097645 /nfs/dbraw/zinc/09/76/45/1066097645.db2.gz JGPQINTWIMUWFE-XMMPIXPASA-N 1 1 453.583 4.717 20 0 JJADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C)(C)[C@@H](O)c2ccc(OCc3ccccc3)cc2)C1 ZINC001442227070 1066104337 /nfs/dbraw/zinc/10/43/37/1066104337.db2.gz SSKCLXBQXGOTAP-BWKNWUBXSA-N 1 1 452.639 4.952 20 0 JJADMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C)(C)[C@@H](O)c2ccc(OCc3ccccc3)cc2)C1 ZINC001442227072 1066104386 /nfs/dbraw/zinc/10/43/86/1066104386.db2.gz SSKCLXBQXGOTAP-OFVILXPXSA-N 1 1 452.639 4.952 20 0 JJADMO CCOc1ncc(C(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1Cl ZINC001360951907 1066108463 /nfs/dbraw/zinc/10/84/63/1066108463.db2.gz MTYOXGLXNJSHJM-QGZVFWFLSA-N 1 1 455.908 4.660 20 0 JJADMO C[C@H](C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001442264372 1066110179 /nfs/dbraw/zinc/11/01/79/1066110179.db2.gz MOPHDNDEEOBCCE-UWXQAFAOSA-N 1 1 451.611 4.840 20 0 JJADMO Cc1nc(-c2cccc(C(=O)NCCC[NH+]3CCN(c4ccccc4Cl)CC3)c2)cs1 ZINC001442298658 1066112953 /nfs/dbraw/zinc/11/29/53/1066112953.db2.gz VKWGWKGFDBBCED-UHFFFAOYSA-N 1 1 455.027 4.714 20 0 JJADMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC001442331408 1066116979 /nfs/dbraw/zinc/11/69/79/1066116979.db2.gz RSMWDGMYUYIUGT-UXHICEINSA-N 1 1 451.014 4.972 20 0 JJADMO C[N@@H+](CCNC(=O)c1cccnc1Oc1ccc(F)cc1Br)C1CCCCC1 ZINC001442336436 1066117587 /nfs/dbraw/zinc/11/75/87/1066117587.db2.gz KEPWPGDSLAXAPV-UHFFFAOYSA-N 1 1 450.352 4.770 20 0 JJADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC001360962164 1066121691 /nfs/dbraw/zinc/12/16/91/1066121691.db2.gz YVZRJVRDYJWCPF-LAUBAEHRSA-N 1 1 450.549 4.536 20 0 JJADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC001360962165 1066121769 /nfs/dbraw/zinc/12/17/69/1066121769.db2.gz YVZRJVRDYJWCPF-UTKZUKDTSA-N 1 1 450.549 4.536 20 0 JJADMO C[C@@H](NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360964111 1066123319 /nfs/dbraw/zinc/12/33/19/1066123319.db2.gz NBKGZMYUIVAPSH-CJAUYULYSA-N 1 1 452.501 4.776 20 0 JJADMO C[C@@H](NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360964111 1066123325 /nfs/dbraw/zinc/12/33/25/1066123325.db2.gz NBKGZMYUIVAPSH-CJAUYULYSA-N 1 1 452.501 4.776 20 0 JJADMO Cc1nc(-c2ccc(C)cc2F)sc1C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360967225 1066124422 /nfs/dbraw/zinc/12/44/22/1066124422.db2.gz DQWGNQJEBIUHHQ-JTSKRJEESA-N 1 1 453.583 4.585 20 0 JJADMO Cc1nc(-c2ccc(C)cc2F)sc1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360967225 1066124425 /nfs/dbraw/zinc/12/44/25/1066124425.db2.gz DQWGNQJEBIUHHQ-JTSKRJEESA-N 1 1 453.583 4.585 20 0 JJADMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1c2c(sc1NC(=O)c1cccnc1)CCCC2 ZINC001442518796 1066131968 /nfs/dbraw/zinc/13/19/68/1066131968.db2.gz DPQFPUMJAQLCKP-LJQANCHMSA-N 1 1 454.640 4.659 20 0 JJADMO CC(C)(C)OC(=O)N1Cc2cccc(C(=O)Nc3ccccc3C[NH+]3CCSCC3)c2C1 ZINC001442549551 1066136254 /nfs/dbraw/zinc/13/62/54/1066136254.db2.gz MOFJJGYWLSNFQV-UHFFFAOYSA-N 1 1 453.608 4.738 20 0 JJADMO CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545950378 1066143271 /nfs/dbraw/zinc/14/32/71/1066143271.db2.gz PKANYMWFQJRUIR-MDNUFGMLSA-N 1 1 484.689 4.806 20 0 JJADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001360985875 1066149028 /nfs/dbraw/zinc/14/90/28/1066149028.db2.gz NOTATDLVPIOWFZ-OAQYLSRUSA-N 1 1 452.647 4.502 20 0 JJADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[N@H+](C)C(C)C ZINC001360986493 1066152658 /nfs/dbraw/zinc/15/26/58/1066152658.db2.gz FFUABAKDYFWYBP-RCZVLFRGSA-N 1 1 498.716 4.619 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@@H](C)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001360989298 1066160476 /nfs/dbraw/zinc/16/04/76/1066160476.db2.gz CGUVVNUJKVLQHS-JMUQELJHSA-N 1 1 490.092 4.771 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CCCCCCO ZINC001360990265 1066167022 /nfs/dbraw/zinc/16/70/22/1066167022.db2.gz RWPSMOFGCUBVSW-XJUOHMSHSA-N 1 1 490.092 4.914 20 0 JJADMO C[N@H+]1CCC[C@H](CNC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)[C@H]1c1cccs1 ZINC001360996942 1066175441 /nfs/dbraw/zinc/17/54/41/1066175441.db2.gz XAWVZZCJAPIKLU-BAGYTPMASA-N 1 1 457.640 4.588 20 0 JJADMO Cc1cc([C@@](C)(O)Cn2c(N3CC[NH+]([C@@H](C)c4ccsc4)CC3)nnc2C(C)(C)C)c(C)o1 ZINC001361002976 1066179974 /nfs/dbraw/zinc/17/99/74/1066179974.db2.gz LVNINHYOWHSXGF-BVZFJXPGSA-N 1 1 471.671 4.638 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N(C)Cc3nccs3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001361021173 1066213697 /nfs/dbraw/zinc/21/36/97/1066213697.db2.gz SGUVNFJJMUTEJV-GHTZIAJQSA-N 1 1 468.671 4.687 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CC=CCC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361028592 1066233929 /nfs/dbraw/zinc/23/39/29/1066233929.db2.gz MEOIEKQLTDDIDP-ZRZAMGCNSA-N 1 1 451.659 4.997 20 0 JJADMO CCCN(C(=O)C[C@@](O)(c1ccc(C)o1)C(F)(F)F)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001442869052 1066234328 /nfs/dbraw/zinc/23/43/28/1066234328.db2.gz JFQLKOOCVFMOFW-NZQKXSOJSA-N 1 1 452.517 4.631 20 0 JJADMO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)c3c(Cl)cccc3OCC3CC3)C2)ccn1 ZINC001454015073 1066235084 /nfs/dbraw/zinc/23/50/84/1066235084.db2.gz QNAKRZJCYIZRCJ-NRFANRHFSA-N 1 1 458.002 4.658 20 0 JJADMO CCCN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001442879719 1066236516 /nfs/dbraw/zinc/23/65/16/1066236516.db2.gz QVUSEFYTBHEWGL-GOTSBHOMSA-N 1 1 457.659 4.783 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@H]2C)c1 ZINC001361032651 1066246864 /nfs/dbraw/zinc/24/68/64/1066246864.db2.gz SYJRZPKJZOFTML-PKTZIBPZSA-N 1 1 469.674 4.742 20 0 JJADMO Cc1ccc([C@](O)(CC(=O)N2CC(C)(C)[N@@H+](Cc3ccccc3)CC2(C)C)C(F)(F)F)o1 ZINC001454123752 1066248823 /nfs/dbraw/zinc/24/88/23/1066248823.db2.gz YBAWRHYEQQQNFI-HSZRJFAPSA-N 1 1 452.517 4.630 20 0 JJADMO C[NH+](C)[C@H](C(=O)N1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1)c1cccc(Cl)c1 ZINC001454239177 1066257006 /nfs/dbraw/zinc/25/70/06/1066257006.db2.gz FTNKNCAUKRCGKP-QHCPKHFHSA-N 1 1 454.977 4.879 20 0 JJADMO Cc1ccccc1C1(C(=O)NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)CCCC1 ZINC001443049531 1066258307 /nfs/dbraw/zinc/25/83/07/1066258307.db2.gz KFFIXXGNHXUOET-UHFFFAOYSA-N 1 1 450.623 4.613 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CC[N@H+](C)C2CCCC2)c1 ZINC001361038803 1066258323 /nfs/dbraw/zinc/25/83/23/1066258323.db2.gz PKLVDGTVGYXLQP-NDEPHWFRSA-N 1 1 483.701 4.990 20 0 JJADMO Cc1cc2scc(CC(=O)NCc3cccc(OCC[N@H+](C)C4CCOCC4)c3)c2s1 ZINC001443054130 1066259841 /nfs/dbraw/zinc/25/98/41/1066259841.db2.gz UFCFCEVJAFUSIM-UHFFFAOYSA-N 1 1 458.649 4.620 20 0 JJADMO O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001443098387 1066267500 /nfs/dbraw/zinc/26/75/00/1066267500.db2.gz PFOXGEMOXBPMFW-AVRDEDQJSA-N 1 1 451.369 4.945 20 0 JJADMO O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001443098400 1066267536 /nfs/dbraw/zinc/26/75/36/1066267536.db2.gz PFOXGEMOXBPMFW-XMSQKQJNSA-N 1 1 451.369 4.945 20 0 JJADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001443102028 1066268922 /nfs/dbraw/zinc/26/89/22/1066268922.db2.gz KJDHSUZPPLEBSZ-UHFFFAOYSA-N 1 1 451.611 4.947 20 0 JJADMO CC[N@@H+](CCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C1CC1 ZINC001443129192 1066271558 /nfs/dbraw/zinc/27/15/58/1066271558.db2.gz BPVMHHFJOTYUGH-UHFFFAOYSA-N 1 1 453.384 4.516 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001361048661 1066278503 /nfs/dbraw/zinc/27/85/03/1066278503.db2.gz ZVIHBXYUNFBZSY-FGCOXFRFSA-N 1 1 457.659 4.877 20 0 JJADMO CCCc1c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)nnn1-c1cccc(Cl)c1 ZINC001454406837 1066279123 /nfs/dbraw/zinc/27/91/23/1066279123.db2.gz POSJULCROYNULV-XMSQKQJNSA-N 1 1 452.002 4.514 20 0 JJADMO CCCc1c(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)nnn1-c1cccc(Cl)c1 ZINC001454406820 1066279285 /nfs/dbraw/zinc/27/92/85/1066279285.db2.gz POSJULCROYNULV-AVRDEDQJSA-N 1 1 452.002 4.514 20 0 JJADMO COc1cc(Cl)c(Br)cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001454407788 1066280308 /nfs/dbraw/zinc/28/03/08/1066280308.db2.gz RQTMLKIBLDVNBU-IFXJQAMLSA-N 1 1 451.792 4.752 20 0 JJADMO CC[C@H](Cn1c(C)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1)[N@H+]1CCc2ccccc2C1 ZINC001545955573 1066280222 /nfs/dbraw/zinc/28/02/22/1066280222.db2.gz XTMPZQLBTQKXRU-RUZDIDTESA-N 1 1 496.700 4.507 20 0 JJADMO Cc1cc(-c2nnc(N(C)CCOC(C)(C)C)n2CCC[N@H+]2CCCO[C@H](C)C2)c2ccccc2n1 ZINC001361049217 1066280802 /nfs/dbraw/zinc/28/08/02/1066280802.db2.gz WOZQNWHPMRXKLA-JOCHJYFZSA-N 1 1 494.684 4.554 20 0 JJADMO C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC001454447882 1066283742 /nfs/dbraw/zinc/28/37/42/1066283742.db2.gz BMTIXBADBYYREG-FBMGVBCBSA-N 1 1 455.480 4.881 20 0 JJADMO Cc1cc(CN(C)c2nnc(-c3ccc(Br)s3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)no1 ZINC001361054858 1066291280 /nfs/dbraw/zinc/29/12/80/1066291280.db2.gz IXNTUQCDPOJECY-GJZGRUSLSA-N 1 1 493.475 4.822 20 0 JJADMO C[C@](O)(C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001443358075 1066300735 /nfs/dbraw/zinc/30/07/35/1066300735.db2.gz ORGAGDZFQSGGSS-IFMALSPDSA-N 1 1 454.920 4.737 20 0 JJADMO C[C@](O)(C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001443358075 1066300751 /nfs/dbraw/zinc/30/07/51/1066300751.db2.gz ORGAGDZFQSGGSS-IFMALSPDSA-N 1 1 454.920 4.737 20 0 JJADMO Cc1cccc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CC=CCC2)c1 ZINC001361066418 1066306011 /nfs/dbraw/zinc/30/60/11/1066306011.db2.gz JSBPFPGTCBMFAF-QHCPKHFHSA-N 1 1 480.657 4.557 20 0 JJADMO Cc1cc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)no1 ZINC001361066909 1066307505 /nfs/dbraw/zinc/30/75/05/1066307505.db2.gz XLWYGDZGUGQJRI-IYRWYFENSA-N 1 1 486.705 4.886 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@H](C)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001361087971 1066328329 /nfs/dbraw/zinc/32/83/29/1066328329.db2.gz DKKWPOAVGNKIOG-UNMCSNQZSA-N 1 1 490.092 4.599 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001443551702 1066328821 /nfs/dbraw/zinc/32/88/21/1066328821.db2.gz OZWHTPYRYWWWIH-DHIUTWEWSA-N 1 1 457.659 4.973 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001454749405 1066330997 /nfs/dbraw/zinc/33/09/97/1066330997.db2.gz ZDCYQNKOFXJDAT-ZFJSRUIDSA-N 1 1 479.448 4.740 20 0 JJADMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3nn(-c4ccc(F)cc4)cc3Br)c2C1 ZINC001546065217 1066332964 /nfs/dbraw/zinc/33/29/64/1066332964.db2.gz IPVVYOXAERKPQB-UHFFFAOYSA-N 1 1 457.347 4.998 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001361089007 1066333723 /nfs/dbraw/zinc/33/37/23/1066333723.db2.gz OUHZRMJQNDBGMA-BVSLBCMMSA-N 1 1 490.092 4.597 20 0 JJADMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3ncc(Br)cc3Br)c2C1 ZINC001546065602 1066335503 /nfs/dbraw/zinc/33/55/03/1066335503.db2.gz TWQMHXTVUCBAGM-UHFFFAOYSA-N 1 1 453.178 4.831 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCOC(C)(C)C2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001361090771 1066339403 /nfs/dbraw/zinc/33/94/03/1066339403.db2.gz JPPBNQUEKQVYST-HXUWFJFHSA-N 1 1 490.092 4.599 20 0 JJADMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1 ZINC001443649172 1066344760 /nfs/dbraw/zinc/34/47/60/1066344760.db2.gz VURZXKQLLISHBN-DEOSSOPVSA-N 1 1 453.627 4.669 20 0 JJADMO Cc1cccc(N(C)c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361099777 1066349857 /nfs/dbraw/zinc/34/98/57/1066349857.db2.gz LDPBYPNYFDXLQO-HDICACEKSA-N 1 1 487.446 4.611 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)c3cccc(C)c3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001361102839 1066352276 /nfs/dbraw/zinc/35/22/76/1066352276.db2.gz HLSMAZKOIQAKQG-SZPZYZBQSA-N 1 1 463.674 4.974 20 0 JJADMO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)C2)cc1 ZINC001455012608 1066353302 /nfs/dbraw/zinc/35/33/02/1066353302.db2.gz PVHASTWWMYLSJM-QDSKXPNFSA-N 1 1 451.611 4.588 20 0 JJADMO Cc1cccc(O[C@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC001361108239 1066357017 /nfs/dbraw/zinc/35/70/17/1066357017.db2.gz UYQPPIHOTCSTPM-OAQYLSRUSA-N 1 1 450.631 4.606 20 0 JJADMO CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001455082487 1066358277 /nfs/dbraw/zinc/35/82/77/1066358277.db2.gz OBXMEACWKZZJQL-ZEQRLZLVSA-N 1 1 454.586 4.607 20 0 JJADMO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Cc3ccc(Br)cc3Cl)CC2)c1 ZINC001443738383 1066361282 /nfs/dbraw/zinc/36/12/82/1066361282.db2.gz XEKURNWTMRLSMI-HNNXBMFYSA-N 1 1 451.792 4.559 20 0 JJADMO CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001443770026 1066365424 /nfs/dbraw/zinc/36/54/24/1066365424.db2.gz GTMFWBMLDISOJB-ASDGIDEWSA-N 1 1 455.687 4.557 20 0 JJADMO Cn1ccc(Nc2ccc(C(=O)NC3CC[NH+](Cc4ccc(Cl)c(Cl)c4)CC3)cc2)n1 ZINC001443770879 1066366346 /nfs/dbraw/zinc/36/63/46/1066366346.db2.gz QJZRYGUIISIAMK-UHFFFAOYSA-N 1 1 458.393 4.865 20 0 JJADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cc1 ZINC001361118886 1066369979 /nfs/dbraw/zinc/36/99/79/1066369979.db2.gz JIFONMDURQKTEK-UHFFFAOYSA-N 1 1 458.493 4.900 20 0 JJADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 ZINC001443804767 1066370232 /nfs/dbraw/zinc/37/02/32/1066370232.db2.gz SCQYHRJVXMIJER-QHCPKHFHSA-N 1 1 452.002 4.664 20 0 JJADMO C/C(=C\C(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1ccccc1)C[C@H](C)O2)c1ccccc1OC(F)F ZINC001455213070 1066371505 /nfs/dbraw/zinc/37/15/05/1066371505.db2.gz SYCYRSFAJUROSX-XRNCKMJISA-N 1 1 456.533 4.583 20 0 JJADMO C/C(=C\C(=O)N1CC[C@@]2(C1)C[N@H+](Cc1ccccc1)C[C@H](C)O2)c1ccccc1OC(F)F ZINC001455213070 1066371520 /nfs/dbraw/zinc/37/15/20/1066371520.db2.gz SYCYRSFAJUROSX-XRNCKMJISA-N 1 1 456.533 4.583 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@H]3CCOC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001361124061 1066376546 /nfs/dbraw/zinc/37/65/46/1066376546.db2.gz VUBOOABLBCWTOT-BJKOFHAPSA-N 1 1 483.701 4.882 20 0 JJADMO CC[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(C)C)CC1)[NH+]1CCCC1 ZINC001545962851 1066376500 /nfs/dbraw/zinc/37/65/00/1066376500.db2.gz LIKZZCCYTQUUSI-DEOSSOPVSA-N 1 1 452.691 4.647 20 0 JJADMO Cc1cccc(NC[C@H]2CCCN2C(=O)c2ccc(Br)c(OC(F)(F)F)c2)[nH+]1 ZINC001443872632 1066379299 /nfs/dbraw/zinc/37/92/99/1066379299.db2.gz MXHGWSHRTMPNFG-CQSZACIVSA-N 1 1 458.278 4.768 20 0 JJADMO Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N(C)C[C@@H]3CCCC[N@H+]3Cc3ccccc3)c2)n1 ZINC001455296397 1066381649 /nfs/dbraw/zinc/38/16/49/1066381649.db2.gz VTVWGEGPTAAYEC-QHCPKHFHSA-N 1 1 459.594 4.669 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC[N@H+]2CCC[C@H]2C)c1 ZINC001361126264 1066382909 /nfs/dbraw/zinc/38/29/09/1066382909.db2.gz PDVJBGPGAYSQEA-FGZHOGPDSA-N 1 1 469.674 4.777 20 0 JJADMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)C1 ZINC001443897529 1066383049 /nfs/dbraw/zinc/38/30/49/1066383049.db2.gz QDQINUZVWZVUJD-XUZZJYLKSA-N 1 1 451.611 4.671 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@H]2CCC[N@H+]2CCCO)c1 ZINC001361126562 1066385363 /nfs/dbraw/zinc/38/53/63/1066385363.db2.gz UYCRSMHGSIVJOO-TZRRMPRUSA-N 1 1 483.701 4.618 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCc4c(cc[nH]c4=O)C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001361128308 1066391538 /nfs/dbraw/zinc/39/15/38/1066391538.db2.gz WJCFHASFPMWBQO-UHFFFAOYSA-N 1 1 492.668 4.683 20 0 JJADMO CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC001455456009 1066392500 /nfs/dbraw/zinc/39/25/00/1066392500.db2.gz MXPNIBSDIOBXKJ-ZEQRLZLVSA-N 1 1 459.556 4.578 20 0 JJADMO CCc1nc(C[NH+]2CCC(CNC(=O)c3ccc(COc4ccc(F)cc4)o3)CC2)cs1 ZINC001444014759 1066394705 /nfs/dbraw/zinc/39/47/05/1066394705.db2.gz DYIVAPJGONGQTC-UHFFFAOYSA-N 1 1 457.571 4.659 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@H]2N(C(=O)OC(C)(C)C)CCC2(C)C)CCCCC1 ZINC001455495699 1066397670 /nfs/dbraw/zinc/39/76/70/1066397670.db2.gz KTOYZJDLTFVXBC-JOCHJYFZSA-N 1 1 457.659 4.973 20 0 JJADMO CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)OC ZINC001545964607 1066410835 /nfs/dbraw/zinc/41/08/35/1066410835.db2.gz HLPXYMJPMUKGJP-QHCPKHFHSA-N 1 1 483.060 4.767 20 0 JJADMO O=C(Cc1cc(Br)ccc1F)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001444134380 1066411715 /nfs/dbraw/zinc/41/17/15/1066411715.db2.gz LKMQWYIDIAYVBN-QGZVFWFLSA-N 1 1 459.281 4.540 20 0 JJADMO CC[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[N@H+](C2CCCC2)CC1)OC ZINC001545964613 1066411879 /nfs/dbraw/zinc/41/18/79/1066411879.db2.gz HRAVVJIUVQKWEQ-LJQANCHMSA-N 1 1 450.002 4.617 20 0 JJADMO Cc1cc(C)c(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1I ZINC001444163067 1066422516 /nfs/dbraw/zinc/42/25/16/1066422516.db2.gz FJCFOLPSMUNKMO-ZWKOTPCHSA-N 1 1 454.396 4.635 20 0 JJADMO CC[C@]1(C)CCN(c2nnc(Cc3csc(C)n3)n2CCC[N@@H+](C)Cc2ccccc2)C1 ZINC001546075285 1066426146 /nfs/dbraw/zinc/42/61/46/1066426146.db2.gz LGZFVJDIMXQHNS-RUZDIDTESA-N 1 1 452.672 4.782 20 0 JJADMO CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001455752942 1066428131 /nfs/dbraw/zinc/42/81/31/1066428131.db2.gz BAAIOCHBCOZYFT-DLBZAZTESA-N 1 1 454.562 4.642 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)[C@H]3CCSC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001361145667 1066429462 /nfs/dbraw/zinc/42/94/62/1066429462.db2.gz FOVHPUCAMUAFNN-UNMCSNQZSA-N 1 1 471.715 4.926 20 0 JJADMO Cc1ccc(CN(C)c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)s1 ZINC001361146070 1066431662 /nfs/dbraw/zinc/43/16/62/1066431662.db2.gz QRQKJQQBFJRCFB-DEOSSOPVSA-N 1 1 497.709 4.837 20 0 JJADMO COc1ccc(C(=O)C(=O)Nc2ccc(C[N@@H+](C)CCOc3ccccc3)cc2)cc1Cl ZINC001455811579 1066435653 /nfs/dbraw/zinc/43/56/53/1066435653.db2.gz OSIIKZYWUNNQHA-UHFFFAOYSA-N 1 1 452.938 4.681 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001361148843 1066437482 /nfs/dbraw/zinc/43/74/82/1066437482.db2.gz ZAIQCEOJXLMPRX-RPBOFIJWSA-N 1 1 483.701 4.847 20 0 JJADMO CCOC(=O)[C@H](C[C@@H](C)CC)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001455828124 1066439572 /nfs/dbraw/zinc/43/95/72/1066439572.db2.gz MWRNRLJYRAHYDA-JTMVAAEOSA-N 1 1 450.623 4.695 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2CC[N@@H+]2CCC[C@H]2C)c1 ZINC001361151621 1066443262 /nfs/dbraw/zinc/44/32/62/1066443262.db2.gz CCXLETAGCMNIEE-LJQANCHMSA-N 1 1 465.564 4.737 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361151708 1066443840 /nfs/dbraw/zinc/44/38/40/1066443840.db2.gz DWLTYNYJBMORKB-TZRRMPRUSA-N 1 1 483.701 4.846 20 0 JJADMO COc1cc(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)ccc1OCc1ccc(Cl)cc1Cl ZINC001444287824 1066444016 /nfs/dbraw/zinc/44/40/16/1066444016.db2.gz ZCTVLEHIHPMUFP-INIZCTEOSA-N 1 1 451.394 4.995 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC001444417906 1066460737 /nfs/dbraw/zinc/46/07/37/1066460737.db2.gz CFRLGHCGOVOBJB-UHFFFAOYSA-N 1 1 452.461 4.829 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC001444417906 1066460740 /nfs/dbraw/zinc/46/07/40/1066460740.db2.gz CFRLGHCGOVOBJB-UHFFFAOYSA-N 1 1 452.461 4.829 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2Cc2ccc(Cl)nc2)c1 ZINC001361159185 1066463859 /nfs/dbraw/zinc/46/38/59/1066463859.db2.gz REYOWLPXANKBPV-UHFFFAOYSA-N 1 1 483.060 4.881 20 0 JJADMO CN(C)C(=O)Nc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c(Cl)c1 ZINC001361160030 1066466509 /nfs/dbraw/zinc/46/65/09/1066466509.db2.gz ACWQSSNGUTXDHY-VWLOTQADSA-N 1 1 455.002 4.562 20 0 JJADMO COc1cc(CN(C)C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c(SC)cc1OC ZINC001444490634 1066466801 /nfs/dbraw/zinc/46/68/01/1066466801.db2.gz SGTJFHLITMTBHI-OAQYLSRUSA-N 1 1 454.636 4.686 20 0 JJADMO O=C(CC1CCN(CC(F)(F)F)CC1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC001444500370 1066468845 /nfs/dbraw/zinc/46/88/45/1066468845.db2.gz GOUUATITTRBOJA-UHFFFAOYSA-N 1 1 451.577 4.698 20 0 JJADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1 ZINC001444551423 1066474290 /nfs/dbraw/zinc/47/42/90/1066474290.db2.gz LWHRXFLHJZFKPY-LJQANCHMSA-N 1 1 454.521 4.662 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(Nc3cnn(C)c3)n2CCC[N@@H+](C)C2CCCCC2)c1 ZINC001361165887 1066477238 /nfs/dbraw/zinc/47/72/38/1066477238.db2.gz MWVCJUXWQSKQSH-UHFFFAOYSA-N 1 1 451.619 4.606 20 0 JJADMO Cc1ccc(-c2nc(CCn3c(CC(C)C)nnc3N3CCC[N@H+](C(C)(C)C)CC3)co2)cc1 ZINC001361167306 1066479966 /nfs/dbraw/zinc/47/99/66/1066479966.db2.gz MSCOFTYZWXENSY-UHFFFAOYSA-N 1 1 464.658 4.993 20 0 JJADMO CC(C)(C)OC(=O)NCC1(CC(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1 ZINC001456033109 1066484071 /nfs/dbraw/zinc/48/40/71/1066484071.db2.gz YGSLGXPUSSPFFW-FQEVSTJZSA-N 1 1 450.023 4.506 20 0 JJADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)C[C@H]1C ZINC001444618912 1066484891 /nfs/dbraw/zinc/48/48/91/1066484891.db2.gz QSAJSBSTININAI-UKRRQHHQSA-N 1 1 456.427 4.514 20 0 JJADMO Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccccc3C)n2CCCC[N@H+]2CCC[C@@H]2CO)o1 ZINC001361171504 1066487126 /nfs/dbraw/zinc/48/71/26/1066487126.db2.gz VMPHCRPFCPHCNV-FCHUYYIVSA-N 1 1 451.615 4.589 20 0 JJADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)CO[C@@H]3C[C@H](C)CC[C@H]3C(C)C)CC2)c1C ZINC001456041792 1066488778 /nfs/dbraw/zinc/48/87/78/1066488778.db2.gz WYSRFPKCQIEQOI-HFRGRHLUSA-N 1 1 459.675 4.607 20 0 JJADMO COC(=O)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccc(C(C)(C)C)cc1 ZINC001444660400 1066489308 /nfs/dbraw/zinc/48/93/08/1066489308.db2.gz DXVPDAGYRACGQO-ZJSXRUAMSA-N 1 1 454.586 4.756 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2Cc2cccc(C(F)(F)F)c2)o1 ZINC001361175072 1066491727 /nfs/dbraw/zinc/49/17/27/1066491727.db2.gz BIGTUMMZASMEMP-UHFFFAOYSA-N 1 1 491.558 4.708 20 0 JJADMO Cc1ccc(-c2nnc(N(C)C[C@H](C)c3ccccc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001361175997 1066494564 /nfs/dbraw/zinc/49/45/64/1066494564.db2.gz ZWDGAYRYZJLPHY-ILWGZMRPSA-N 1 1 451.615 4.586 20 0 JJADMO Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)cc1 ZINC001456055398 1066495869 /nfs/dbraw/zinc/49/58/69/1066495869.db2.gz YDRRGZWWNFNDPR-VWLOTQADSA-N 1 1 459.615 4.781 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3c(F)cccc3Cl)n2CC2CCN(CC[NH+](C)C)CC2)o1 ZINC001361177435 1066495880 /nfs/dbraw/zinc/49/58/80/1066495880.db2.gz DNKGXNBBTPLCPN-UHFFFAOYSA-N 1 1 489.039 4.549 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)o1 ZINC001361177624 1066496545 /nfs/dbraw/zinc/49/65/45/1066496545.db2.gz KUOIALADGLNRMP-LJQANCHMSA-N 1 1 457.022 4.899 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3ccc(Br)cc3)n2C[C@@H](C)[N@@H+](C)C2CC2)o1 ZINC001361177768 1066496976 /nfs/dbraw/zinc/49/69/76/1066496976.db2.gz QAJFZHNMYJJNMI-OAHLLOKOSA-N 1 1 458.404 4.728 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3c(F)cccc3Cl)n2CCC[N@H+]2CCCO[C@@H](C)C2)o1 ZINC001361178088 1066498126 /nfs/dbraw/zinc/49/81/26/1066498126.db2.gz ZRMWASOVOXTKTK-SFHVURJKSA-N 1 1 475.996 4.776 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3ccc(Cl)c(F)c3)n2CCCC[N@H+]2CCC[C@@H]2CO)o1 ZINC001361178244 1066498781 /nfs/dbraw/zinc/49/87/81/1066498781.db2.gz JLRJEFJEKSJYJS-LJQANCHMSA-N 1 1 475.996 4.512 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)o1 ZINC001361181297 1066502817 /nfs/dbraw/zinc/50/28/17/1066502817.db2.gz IRNVIEXXDLIUSG-NRFANRHFSA-N 1 1 451.619 4.517 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)o1 ZINC001361181299 1066502858 /nfs/dbraw/zinc/50/28/58/1066502858.db2.gz IRNVIEXXDLIUSG-OAQYLSRUSA-N 1 1 451.619 4.517 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC001361181338 1066502914 /nfs/dbraw/zinc/50/29/14/1066502914.db2.gz JTMJVAWEJKQGBU-SFHVURJKSA-N 1 1 482.032 4.780 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3nccs3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC001361181309 1066502975 /nfs/dbraw/zinc/50/29/75/1066502975.db2.gz IZUWTYIZFWVTND-GOSISDBHSA-N 1 1 450.612 4.850 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3ccccc3Br)n2C[C@@H](C)[N@@H+](C)C2CC2)o1 ZINC001361181424 1066503263 /nfs/dbraw/zinc/50/32/63/1066503263.db2.gz VXUWYWSDWTUCAQ-OAHLLOKOSA-N 1 1 458.404 4.728 20 0 JJADMO CC[C@]1(C)CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001546079454 1066510336 /nfs/dbraw/zinc/51/03/36/1066510336.db2.gz MSDUCMDLEYBESA-QFQXNSOFSA-N 1 1 455.647 4.613 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCc3nccs3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC001361187267 1066511626 /nfs/dbraw/zinc/51/16/26/1066511626.db2.gz LCBWHFDWOOAVEI-HDICACEKSA-N 1 1 456.660 4.738 20 0 JJADMO COc1ccc(Br)cc1-c1ncc(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)s1 ZINC001444853125 1066512623 /nfs/dbraw/zinc/51/26/23/1066512623.db2.gz PERCNVHYMFZFAU-OAHLLOKOSA-N 1 1 452.418 4.528 20 0 JJADMO Cc1cccc(NCCNC(=O)[C@@H](Oc2ccc(Br)cc2F)c2ccccc2)[nH+]1 ZINC001456124318 1066515136 /nfs/dbraw/zinc/51/51/36/1066515136.db2.gz AFAJPRCJWIFPAS-NRFANRHFSA-N 1 1 458.331 4.640 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCOc3ccccc3C)n2CC[N@@H+](C)C2CCCCC2)o1 ZINC001361190207 1066515711 /nfs/dbraw/zinc/51/57/11/1066515711.db2.gz FRFAPSAVNOORNE-UHFFFAOYSA-N 1 1 451.615 4.935 20 0 JJADMO C[C@@H]1CCN(C(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)CC[N@H+]1Cc1ccccc1 ZINC001444902963 1066517526 /nfs/dbraw/zinc/51/75/26/1066517526.db2.gz GYGCNQWHBKAZEN-MRCUYLHHSA-N 1 1 455.643 4.679 20 0 JJADMO C[N@@H+](CCN(Cc1ccccc1)C(=O)c1cccc(Br)c1N)Cc1ccccc1 ZINC001444950569 1066521519 /nfs/dbraw/zinc/52/15/19/1066521519.db2.gz KKWVDLACKASBGV-UHFFFAOYSA-N 1 1 452.396 4.806 20 0 JJADMO Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@H](C)C3)n2CC[N@@H+](C)C2CCCCC2)cc1Br ZINC001361196057 1066523621 /nfs/dbraw/zinc/52/36/21/1066523621.db2.gz JMQMDBXIWFDFDJ-RTBURBONSA-N 1 1 490.490 4.894 20 0 JJADMO Cc1ccc(-c2nnc(N3C[C@H](C)C[C@H](C)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1Br ZINC001361196232 1066523993 /nfs/dbraw/zinc/52/39/93/1066523993.db2.gz MESZAINUYBGGSS-ZIFCJYIRSA-N 1 1 460.464 4.983 20 0 JJADMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)Cc3ccccc3NC(=O)OC(C)(C)C)cc2)C1 ZINC001445043966 1066532985 /nfs/dbraw/zinc/53/29/85/1066532985.db2.gz IPKMQGXHTWGIFU-LJQANCHMSA-N 1 1 453.583 4.935 20 0 JJADMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)Cc3ccccc3NC(=O)OC(C)(C)C)cc2)C1 ZINC001445043950 1066533053 /nfs/dbraw/zinc/53/30/53/1066533053.db2.gz IPKMQGXHTWGIFU-IBGZPJMESA-N 1 1 453.583 4.935 20 0 JJADMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cc4c(Br)cccc4cn3)cc2)C1 ZINC001445047983 1066533228 /nfs/dbraw/zinc/53/32/28/1066533228.db2.gz NFAXYICGMLTEOR-MRXNPFEDSA-N 1 1 454.368 4.970 20 0 JJADMO CCc1c(C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)cnn1-c1ccccc1Cl ZINC001456197280 1066534777 /nfs/dbraw/zinc/53/47/77/1066534777.db2.gz PDIZNQGFFNMXIK-UHFFFAOYSA-N 1 1 459.034 4.632 20 0 JJADMO CCc1ccc([C@@H](C)CC(=O)N2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)cc1 ZINC001445176400 1066543415 /nfs/dbraw/zinc/54/34/15/1066543415.db2.gz UDFCVSSMXAVBDR-IBGZPJMESA-N 1 1 452.624 4.631 20 0 JJADMO Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC001445268429 1066550106 /nfs/dbraw/zinc/55/01/06/1066550106.db2.gz FTMVKFHIAMNBJC-UHFFFAOYSA-N 1 1 450.649 4.771 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2CCCC[N@@H+]2CCC[C@H](C)C2)o1 ZINC001361214245 1066550091 /nfs/dbraw/zinc/55/00/91/1066550091.db2.gz LEUBHQGLBFIXBM-GMAHTHKFSA-N 1 1 498.716 4.737 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)n2CCC[N@H+](C)C(C)C)o1 ZINC001361214905 1066552180 /nfs/dbraw/zinc/55/21/80/1066552180.db2.gz ZUBARQBTEQVGIQ-GOSISDBHSA-N 1 1 479.551 4.634 20 0 JJADMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(COc3ccccc3Br)cc2)C1 ZINC001445296254 1066556097 /nfs/dbraw/zinc/55/60/97/1066556097.db2.gz JBOCIELWBKGRRP-FQEVSTJZSA-N 1 1 457.412 4.832 20 0 JJADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Cl)[C@@H](C)C1 ZINC001456298158 1066557438 /nfs/dbraw/zinc/55/74/38/1066557438.db2.gz FYBYDWHQPKBXBX-OXJNMPFZSA-N 1 1 454.011 4.554 20 0 JJADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)[C@@H](C)C1 ZINC001456300297 1066557855 /nfs/dbraw/zinc/55/78/55/1066557855.db2.gz JTHGLMOOMOVXQC-YOEHRIQHSA-N 1 1 456.439 4.984 20 0 JJADMO C[S@@](=O)c1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)cc1 ZINC001456345414 1066566277 /nfs/dbraw/zinc/56/62/77/1066566277.db2.gz XOYRBKFUOBWRQP-BKZGZDJESA-N 1 1 453.007 4.932 20 0 JJADMO O=C(NCCc1cc(F)cc(OCc2ccccc2)c1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC001456384901 1066574866 /nfs/dbraw/zinc/57/48/66/1066574866.db2.gz UAMQGLZMPLPHIM-SANMLTNESA-N 1 1 450.529 4.867 20 0 JJADMO O=C(NCCc1cc(F)cc(OCc2ccccc2)c1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC001456384901 1066574880 /nfs/dbraw/zinc/57/48/80/1066574880.db2.gz UAMQGLZMPLPHIM-SANMLTNESA-N 1 1 450.529 4.867 20 0 JJADMO Cc1ccc([C@H]2CCCN2c2nnc(COc3ccccc3F)n2CCC[N@H+](C)C(C)C)o1 ZINC001361236010 1066576177 /nfs/dbraw/zinc/57/61/77/1066576177.db2.gz CFUIXHWEIFJUOC-OAQYLSRUSA-N 1 1 455.578 4.969 20 0 JJADMO CC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)Oc1ccccc1F ZINC001545975642 1066576376 /nfs/dbraw/zinc/57/63/76/1066576376.db2.gz WCGZCWFDYVASNR-IBGZPJMESA-N 1 1 454.594 4.581 20 0 JJADMO COCCc1ccc(OCCCC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001445523108 1066580948 /nfs/dbraw/zinc/58/09/48/1066580948.db2.gz JHPWFTOLDCWVOI-AHKZPQOWSA-N 1 1 450.623 4.548 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC001445525131 1066581893 /nfs/dbraw/zinc/58/18/93/1066581893.db2.gz OYHGPWDFBYOVBC-RBZQAINGSA-N 1 1 455.643 4.537 20 0 JJADMO Cc1ccc([C@H]2OCCC[C@H]2Cn2c(CC(C)(C)C)nnc2N2CC[NH+](CCOC(C)C)CC2)cc1 ZINC001361240937 1066582698 /nfs/dbraw/zinc/58/26/98/1066582698.db2.gz ZCSJWZZWWCPNKW-AHKZPQOWSA-N 1 1 497.728 4.890 20 0 JJADMO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC001445529653 1066583200 /nfs/dbraw/zinc/58/32/00/1066583200.db2.gz WNOOCEWUHVALCQ-ONTLXTELSA-N 1 1 455.643 4.535 20 0 JJADMO Cc1ccccc1COc1ccccc1C(=O)N1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001456433081 1066584490 /nfs/dbraw/zinc/58/44/90/1066584490.db2.gz KYLBWAXCQYGMLA-UHFFFAOYSA-N 1 1 458.602 4.939 20 0 JJADMO CCOc1ccc(C(=O)N(C)C)cc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001361242895 1066584621 /nfs/dbraw/zinc/58/46/21/1066584621.db2.gz RDYGXAFCEJRLKA-FGZHOGPDSA-N 1 1 477.630 4.703 20 0 JJADMO Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCn2cc[nH+]c2C)s1 ZINC001361246910 1066588890 /nfs/dbraw/zinc/58/88/90/1066588890.db2.gz IGJQTFCDOYYSSS-UHFFFAOYSA-N 1 1 477.638 4.749 20 0 JJADMO O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cc[nH+]c(N2CCCCC2)c1)OCc1ccccc1 ZINC001456462363 1066592405 /nfs/dbraw/zinc/59/24/05/1066592405.db2.gz SZHYQNLCXLEHPU-DEOSSOPVSA-N 1 1 458.562 4.548 20 0 JJADMO Cc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)o1 ZINC001361250031 1066595600 /nfs/dbraw/zinc/59/56/00/1066595600.db2.gz OGURQSOENMWFBO-HZPDHXFCSA-N 1 1 475.435 4.694 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1[C@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C ZINC001456491122 1066598046 /nfs/dbraw/zinc/59/80/46/1066598046.db2.gz TVJTZWPOXNAMQA-AZOUXBGGSA-N 1 1 455.643 4.535 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1[C@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C ZINC001456491122 1066598052 /nfs/dbraw/zinc/59/80/52/1066598052.db2.gz TVJTZWPOXNAMQA-AZOUXBGGSA-N 1 1 455.643 4.535 20 0 JJADMO Cc1ccc(CN(C)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCn2cc[nH+]c2C)o1 ZINC001361255894 1066604326 /nfs/dbraw/zinc/60/43/26/1066604326.db2.gz SBUNUFRFFCFDKW-UHFFFAOYSA-N 1 1 497.644 4.526 20 0 JJADMO Cc1ccc(CN(C)c2nnc(Cc3ccccn3)n2CCCC[N@@H+]2CCCC[C@H]2C)s1 ZINC001361258110 1066607141 /nfs/dbraw/zinc/60/71/41/1066607141.db2.gz ONOVXJYIZNMBRZ-HXUWFJFHSA-N 1 1 452.672 4.925 20 0 JJADMO CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC001445705287 1066607510 /nfs/dbraw/zinc/60/75/10/1066607510.db2.gz UNMWRCPGSIKTSM-SIKLNZKXSA-N 1 1 454.590 4.789 20 0 JJADMO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)c1 ZINC001456512566 1066607603 /nfs/dbraw/zinc/60/76/03/1066607603.db2.gz XOQKWAQVDQHRTF-NFBKMPQASA-N 1 1 456.428 4.507 20 0 JJADMO CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC001445705281 1066607616 /nfs/dbraw/zinc/60/76/16/1066607616.db2.gz UNMWRCPGSIKTSM-KNQAVFIVSA-N 1 1 454.590 4.789 20 0 JJADMO CC[C@]1(C)CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CCO1 ZINC001546082974 1066609096 /nfs/dbraw/zinc/60/90/96/1066609096.db2.gz HBSZMHBSJYZBIB-OREGWCPLSA-N 1 1 487.664 4.931 20 0 JJADMO Cc1ccc(CN(C)c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)o1 ZINC001361260960 1066610939 /nfs/dbraw/zinc/61/09/39/1066610939.db2.gz BWSZVOAUXXQDOU-RTBURBONSA-N 1 1 455.578 4.654 20 0 JJADMO Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c(C)c1 ZINC001361263617 1066616566 /nfs/dbraw/zinc/61/65/66/1066616566.db2.gz GXOYRJOFHGWLSK-HSZRJFAPSA-N 1 1 480.701 4.562 20 0 JJADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C ZINC001445790306 1066618093 /nfs/dbraw/zinc/61/80/93/1066618093.db2.gz RWMMBGFNZFLDIQ-XVGQJIODSA-N 1 1 456.414 4.500 20 0 JJADMO C[C@@]1(NC(=O)c2ccc(N)c(OC(F)(F)F)c2)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001456548431 1066622663 /nfs/dbraw/zinc/62/26/63/1066622663.db2.gz MVCACMGTDBYGMH-SQJMNOBHSA-N 1 1 469.507 4.956 20 0 JJADMO C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)[C@H](O)c1cccc(F)c1 ZINC001445827490 1066623770 /nfs/dbraw/zinc/62/37/70/1066623770.db2.gz VQQXGKQMIRVXNO-JPTIVFSVSA-N 1 1 466.984 4.933 20 0 JJADMO Cn1ccnc1[C@H](CC(=O)N[C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C(F)(F)F ZINC001456554608 1066624380 /nfs/dbraw/zinc/62/43/80/1066624380.db2.gz UPNMPENYPBDWTA-WRALFONMSA-N 1 1 470.539 4.631 20 0 JJADMO C[N@@H+](CCN(Cc1ccccc1)C(=O)c1nc(Br)ccc1F)Cc1ccccc1 ZINC001361279736 1066636794 /nfs/dbraw/zinc/63/67/94/1066636794.db2.gz ZYIMIDOGLTYMGM-UHFFFAOYSA-N 1 1 456.359 4.758 20 0 JJADMO O=C(CCc1ccc2ccccc2n1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001445999023 1066643128 /nfs/dbraw/zinc/64/31/28/1066643128.db2.gz IMEWZORGQPUQSO-UHFFFAOYSA-N 1 1 452.396 4.711 20 0 JJADMO Cc1ccccc1OCCCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001492598633 1066647796 /nfs/dbraw/zinc/64/77/96/1066647796.db2.gz NJBAKDDKTKEBIP-GMKZXUHWSA-N 1 1 469.674 4.506 20 0 JJADMO Cc1ccccc1OCCCN(C)c1nnc(-c2ccccn2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001492598862 1066649045 /nfs/dbraw/zinc/64/90/45/1066649045.db2.gz QKHBAGKSXFHWEB-DEOSSOPVSA-N 1 1 462.642 4.674 20 0 JJADMO Cc1ccccc1OCCCN(C)c1nnc(-c2ccccn2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001492598864 1066649066 /nfs/dbraw/zinc/64/90/66/1066649066.db2.gz QKHBAGKSXFHWEB-XMMPIXPASA-N 1 1 462.642 4.674 20 0 JJADMO CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)c1ccccc1 ZINC001545980574 1066652126 /nfs/dbraw/zinc/65/21/26/1066652126.db2.gz WQDITNUTONUQIB-QHCPKHFHSA-N 1 1 476.669 4.637 20 0 JJADMO Cc1ccccc1OCCN(C)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492601495 1066655850 /nfs/dbraw/zinc/65/58/50/1066655850.db2.gz DIKDIRJJZVIGPW-AOHZBQACSA-N 1 1 483.701 4.752 20 0 JJADMO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1(C)C ZINC001456652494 1066659418 /nfs/dbraw/zinc/65/94/18/1066659418.db2.gz ZNCMENCIUPXTIV-JBXUNAHCSA-N 1 1 477.649 4.710 20 0 JJADMO Cc1ccc(NC(=O)c2nnc(N3CCC=C(C)C3)n2CCCC[N@@H+]2CCCC[C@H]2C)cc1C ZINC001492607631 1066666524 /nfs/dbraw/zinc/66/65/24/1066666524.db2.gz BTTGAUMNTPLUFH-HSZRJFAPSA-N 1 1 464.658 4.958 20 0 JJADMO CC1=CCCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001492610026 1066671884 /nfs/dbraw/zinc/67/18/84/1066671884.db2.gz FPGBROAMFMWPBB-UHFFFAOYSA-N 1 1 467.658 4.637 20 0 JJADMO CC1=CCCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001492610026 1066671890 /nfs/dbraw/zinc/67/18/90/1066671890.db2.gz FPGBROAMFMWPBB-UHFFFAOYSA-N 1 1 467.658 4.637 20 0 JJADMO C[N@@H+]1CC[C@@H](NC(=O)COc2ccc3cc(Br)ccc3c2)[C@H]1c1ccc(F)cc1 ZINC001446190511 1066672667 /nfs/dbraw/zinc/67/26/67/1066672667.db2.gz KCYDSBNBTLBQIW-FYYLOGMGSA-N 1 1 457.343 4.682 20 0 JJADMO C[N@H+]1CC[C@@H](NC(=O)COc2ccc3cc(Br)ccc3c2)[C@H]1c1ccc(F)cc1 ZINC001446190511 1066672671 /nfs/dbraw/zinc/67/26/71/1066672671.db2.gz KCYDSBNBTLBQIW-FYYLOGMGSA-N 1 1 457.343 4.682 20 0 JJADMO Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)N[C@@H]3CC[N@@H+](C)[C@H]3c3ccc(F)cc3)c2)n1 ZINC001446192147 1066673261 /nfs/dbraw/zinc/67/32/61/1066673261.db2.gz FUPGPUHHODCFCV-YADHBBJMSA-N 1 1 453.949 4.805 20 0 JJADMO Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)N[C@@H]3CC[N@H+](C)[C@H]3c3ccc(F)cc3)c2)n1 ZINC001446192147 1066673264 /nfs/dbraw/zinc/67/32/64/1066673264.db2.gz FUPGPUHHODCFCV-YADHBBJMSA-N 1 1 453.949 4.805 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC=C(C)C3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)cs1 ZINC001492612368 1066674198 /nfs/dbraw/zinc/67/41/98/1066674198.db2.gz DDNHWKYCZQFEJA-FQEVSTJZSA-N 1 1 450.656 4.701 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC=C(C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001492613550 1066676228 /nfs/dbraw/zinc/67/62/28/1066676228.db2.gz YVCIRZVBTAGXGU-XMMPIXPASA-N 1 1 481.685 4.802 20 0 JJADMO C[C@@H]1C[C@H](CCNC(=O)/C=C\[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[N@H+]1Cc1ccccc1 ZINC001446259332 1066680214 /nfs/dbraw/zinc/68/02/14/1066680214.db2.gz NQSIOBQCUVCEAC-VVEXGRLFSA-N 1 1 455.643 4.607 20 0 JJADMO CC1=CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001492619857 1066688053 /nfs/dbraw/zinc/68/80/53/1066688053.db2.gz MBHSTFYGGAGAFY-NRFANRHFSA-N 1 1 488.474 4.896 20 0 JJADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(Cl)c(Br)c1 ZINC001446320063 1066689626 /nfs/dbraw/zinc/68/96/26/1066689626.db2.gz ARNPTSXESZPPRE-KRWDZBQOSA-N 1 1 451.792 4.935 20 0 JJADMO CCC[C@H]1CN(C(=O)CCc2c3ccccc3[nH]c2-c2ccc(F)cc2)CC[N@H+]1CCOC ZINC001446349533 1066694996 /nfs/dbraw/zinc/69/49/96/1066694996.db2.gz MXLRZFBQVSMPQP-QFIPXVFZSA-N 1 1 451.586 4.866 20 0 JJADMO Cc1cnn(CC2CCN(c3nnc(C(C)C)n3Cc3ccccc3C[N@H+](C)C(C)C)CC2)c1 ZINC001492623102 1066695453 /nfs/dbraw/zinc/69/54/53/1066695453.db2.gz WZEXMIAAOVDIFL-UHFFFAOYSA-N 1 1 463.674 4.712 20 0 JJADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC001456816212 1066700070 /nfs/dbraw/zinc/70/00/70/1066700070.db2.gz FCMFQHIBFUFXHU-UXHICEINSA-N 1 1 453.974 4.713 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)C1 ZINC001446511946 1066712966 /nfs/dbraw/zinc/71/29/66/1066712966.db2.gz VTLUBZFGLFUZLC-QFIPXVFZSA-N 1 1 459.700 4.573 20 0 JJADMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001446516294 1066713623 /nfs/dbraw/zinc/71/36/23/1066713623.db2.gz SMNVOMPBBKETEZ-MHHVOYGZSA-N 1 1 472.674 4.532 20 0 JJADMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001446516294 1066713632 /nfs/dbraw/zinc/71/36/32/1066713632.db2.gz SMNVOMPBBKETEZ-MHHVOYGZSA-N 1 1 472.674 4.532 20 0 JJADMO C[N@H+]1CCN(C(=O)Cc2csc(-c3sccc3Br)n2)C2(CCCCC2)C1 ZINC001456911147 1066719429 /nfs/dbraw/zinc/71/94/29/1066719429.db2.gz JXAPYLCDCYVZFQ-UHFFFAOYSA-N 1 1 454.459 4.654 20 0 JJADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001456936545 1066725914 /nfs/dbraw/zinc/72/59/14/1066725914.db2.gz JGMXOWWLMUDZJF-ZEQRLZLVSA-N 1 1 457.659 4.831 20 0 JJADMO Cc1csc([C@H]2CN(c3nnc(CC(C)(C)C)n3CC(C)(C)[N@H+]3C[C@H](C)C[C@H](C)C3)CCO2)n1 ZINC001492640832 1066732845 /nfs/dbraw/zinc/73/28/45/1066732845.db2.gz FADSRHYENIYQJC-SVFBPWRDSA-N 1 1 488.746 4.966 20 0 JJADMO O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456981183 1066735033 /nfs/dbraw/zinc/73/50/33/1066735033.db2.gz DNGYSRKTCMUXSO-GBESFXJTSA-N 1 1 452.467 4.981 20 0 JJADMO CC[N@@H+](CCC1CCN(C(=O)[C@@H]2CCOc3ccc(Br)cc32)CC1)CC(C)C ZINC001446742963 1066735182 /nfs/dbraw/zinc/73/51/82/1066735182.db2.gz MOUNCZZBHSNZMK-HXUWFJFHSA-N 1 1 451.449 4.922 20 0 JJADMO CC[C@]1(C)CN(c2nnc(-c3cccc(OC)c3)n2CCCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC001546085929 1066735346 /nfs/dbraw/zinc/73/53/46/1066735346.db2.gz VLIGMGFWXPOJKS-HFZDXXHNSA-N 1 1 455.647 4.614 20 0 JJADMO COc1ccc(Cl)cc1CC(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456982637 1066735531 /nfs/dbraw/zinc/73/55/31/1066735531.db2.gz JQVTYYXPCCFERB-GOSISDBHSA-N 1 1 454.920 4.804 20 0 JJADMO CC[N@@H+](CCC1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)CC(C)C ZINC001446762869 1066736766 /nfs/dbraw/zinc/73/67/66/1066736766.db2.gz JVTNPOZUCHEEGX-DEOSSOPVSA-N 1 1 459.675 4.729 20 0 JJADMO CC[N@@H+](CCC1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)CC1)CC1CC1 ZINC001446782704 1066738640 /nfs/dbraw/zinc/73/86/40/1066738640.db2.gz UCKSDMFWJXBBEL-UHFFFAOYSA-N 1 1 456.030 4.524 20 0 JJADMO Cc1csc(CCCCn2c([C@H]3CCCCO3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC001492643802 1066740123 /nfs/dbraw/zinc/74/01/23/1066740123.db2.gz QZERQSJWPJBIPL-JOCHJYFZSA-N 1 1 474.719 4.864 20 0 JJADMO Cc1cc([C@H](NC(=O)C2CC[NH+](Cc3nccn3C)CC2)c2ccccc2Cl)ccc1F ZINC001457026750 1066747617 /nfs/dbraw/zinc/74/76/17/1066747617.db2.gz KMJAXHLGJJYVOL-DEOSSOPVSA-N 1 1 454.977 4.639 20 0 JJADMO Cc1csc(CN(C)c2nnc(Cc3c(F)cccc3F)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001492647138 1066751083 /nfs/dbraw/zinc/75/10/83/1066751083.db2.gz FXSATUDTNFUOAD-KDURUIRLSA-N 1 1 489.636 4.653 20 0 JJADMO C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC001446907283 1066755302 /nfs/dbraw/zinc/75/53/02/1066755302.db2.gz XGFZHLLIQZMKMI-RTWAWAEBSA-N 1 1 451.611 4.789 20 0 JJADMO COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)C1 ZINC001446952519 1066758039 /nfs/dbraw/zinc/75/80/39/1066758039.db2.gz BGWUEJDYRUEOQT-UODIDJSMSA-N 1 1 462.634 4.648 20 0 JJADMO Cc1nc(C)c(CCn2c(-c3ccccc3F)nnc2N2CCC[N@H+](C(C)(C)C)CC2)s1 ZINC001492654998 1066765252 /nfs/dbraw/zinc/76/52/52/1066765252.db2.gz KDHNDCNTLLGCIW-UHFFFAOYSA-N 1 1 456.635 4.711 20 0 JJADMO Cc1nc(C)c(CCn2c(CC(C)C)nnc2N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC001492656888 1066770059 /nfs/dbraw/zinc/77/00/59/1066770059.db2.gz OVNDCSLJGNCPMY-JOCHJYFZSA-N 1 1 452.672 4.503 20 0 JJADMO Cc1nc(C)c(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[N@H+](C(C)C)CC2)s1 ZINC001492659597 1066776235 /nfs/dbraw/zinc/77/62/35/1066776235.db2.gz GHFRZBLNHCTXGS-UHFFFAOYSA-N 1 1 459.063 4.564 20 0 JJADMO Cc1nc(Cc2nnc(N(C)[C@@H](C)c3cccs3)n2CCCCn2cc[nH+]c2C)cs1 ZINC001492662573 1066782358 /nfs/dbraw/zinc/78/23/58/1066782358.db2.gz WFPCFLZIURCIFI-INIZCTEOSA-N 1 1 455.657 4.878 20 0 JJADMO CN(C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001447300269 1066788877 /nfs/dbraw/zinc/78/88/77/1066788877.db2.gz BRPXYZDXPMJELO-SFTDATJTSA-N 1 1 451.442 4.884 20 0 JJADMO Cc1nc(Cc2nnc(N(C)Cc3ccc(F)cc3F)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)cs1 ZINC001492666411 1066791587 /nfs/dbraw/zinc/79/15/87/1066791587.db2.gz SGUWMOGJZIYISU-LJQANCHMSA-N 1 1 488.652 4.916 20 0 JJADMO CCOC(=O)c1ccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)o1 ZINC001457222386 1066793704 /nfs/dbraw/zinc/79/37/04/1066793704.db2.gz JHEKCENKUKXCGP-XZOQPEGZSA-N 1 1 466.965 4.642 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2Cc2cccc(Cl)c2)cs1 ZINC001492675233 1066810339 /nfs/dbraw/zinc/81/03/39/1066810339.db2.gz QSGCOPDELWAPRE-UHFFFAOYSA-N 1 1 473.090 4.892 20 0 JJADMO C[C@@](O)(CNC(=O)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1)c1cccc(Cl)c1 ZINC001447460522 1066812050 /nfs/dbraw/zinc/81/20/50/1066812050.db2.gz ZGISECWSYHBVMH-AOYPEHQESA-N 1 1 454.973 4.704 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[C@@H](C(C)C)C3)n2CC[N@@H+](C)Cc2ccc(F)cc2)cs1 ZINC001492676469 1066813629 /nfs/dbraw/zinc/81/36/29/1066813629.db2.gz GKKXESXAOQVXOD-OAQYLSRUSA-N 1 1 470.662 4.777 20 0 JJADMO CC[C@H](Cn1c(CC(C)C)nnc1N1CCO[C@](C)(C(C)(C)C)C1)[N@H+]1CCc2ccccc2C1 ZINC001545997990 1066825989 /nfs/dbraw/zinc/82/59/89/1066825989.db2.gz ZSYFBBNMMRBMNT-YWEHKCAJSA-N 1 1 467.702 4.955 20 0 JJADMO Cc1ccc(O[C@@H](C)C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)c(Br)c1 ZINC001457460790 1066835714 /nfs/dbraw/zinc/83/57/14/1066835714.db2.gz QNRSKFVZGMTZDG-HNNXBMFYSA-N 1 1 452.418 4.996 20 0 JJADMO Cc1nc([C@H]2CCCN2c2nnc(CCc3ccccc3)n2CCC[N@H+](C)C(C)C)cs1 ZINC001492694712 1066840450 /nfs/dbraw/zinc/84/04/50/1066840450.db2.gz QZJHNVADNQERFJ-HSZRJFAPSA-N 1 1 452.672 4.900 20 0 JJADMO CC[C@H](Cn1c(Cc2ccccn2)nnc1N(CC(C)C)C(C)C)[N@H+]1CCc2ccccc2C1 ZINC001545998882 1066840444 /nfs/dbraw/zinc/84/04/44/1066840444.db2.gz DIQHQJKAVDWBKW-AREMUKBSSA-N 1 1 460.670 4.972 20 0 JJADMO C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)C(C)(C)c3ccc(-c4ccccc4)cc3)c2)CC1 ZINC001457490686 1066841911 /nfs/dbraw/zinc/84/19/11/1066841911.db2.gz PJSCPBFRXMAXCR-UHFFFAOYSA-N 1 1 455.602 4.586 20 0 JJADMO Cc1ncc(CN(C)c2nnc(-c3ccc(F)cc3Br)n2CC[N@@H+]2CC=CCC2)s1 ZINC001492695431 1066842139 /nfs/dbraw/zinc/84/21/39/1066842139.db2.gz BENGEFNWSTUEDU-UHFFFAOYSA-N 1 1 491.434 4.510 20 0 JJADMO Cc1ncc(CN(C)c2nnc(Cc3ccccc3C)n2C[C@H]2[N@@H+](C)CCCC2(C)C)s1 ZINC001492698419 1066851635 /nfs/dbraw/zinc/85/16/35/1066851635.db2.gz WTKDZEJZZCXUAN-JOCHJYFZSA-N 1 1 452.672 4.699 20 0 JJADMO CC[C@@H](NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001457545111 1066857127 /nfs/dbraw/zinc/85/71/27/1066857127.db2.gz QWFKZLIAQXLUFY-XDAJTCOGSA-N 1 1 458.602 4.917 20 0 JJADMO CC[C@@H](NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001457545111 1066857136 /nfs/dbraw/zinc/85/71/36/1066857136.db2.gz QWFKZLIAQXLUFY-XDAJTCOGSA-N 1 1 458.602 4.917 20 0 JJADMO Cc1ncc(CN2CCN(c3nnc(C(C)(C)C)n3CC[C@H](C)[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC001492701816 1066859149 /nfs/dbraw/zinc/85/91/49/1066859149.db2.gz IANJJCJVJHRFLD-NRFANRHFSA-N 1 1 495.741 4.573 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001492704383 1066863158 /nfs/dbraw/zinc/86/31/58/1066863158.db2.gz AMTCQJMYSNLEDL-PKTZIBPZSA-N 1 1 499.704 4.860 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001492704381 1066863353 /nfs/dbraw/zinc/86/33/53/1066863353.db2.gz AMTCQJMYSNLEDL-DHIUTWEWSA-N 1 1 499.704 4.860 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2ccccc2Br)nnc1N(C)CC1CCC1 ZINC001492705247 1066864895 /nfs/dbraw/zinc/86/48/95/1066864895.db2.gz ZXBHNZDKMPCQHW-UHFFFAOYSA-N 1 1 457.420 4.929 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2ccc(Br)s2)nnc1N(C)C[C@H]1CCCOC1 ZINC001492705390 1066864986 /nfs/dbraw/zinc/86/49/86/1066864986.db2.gz DTEYXFXZEYFYOP-QGZVFWFLSA-N 1 1 493.475 4.617 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCc1cccs1 ZINC001492705457 1066865455 /nfs/dbraw/zinc/86/54/55/1066865455.db2.gz GNYHQCGIHQJUFD-UHFFFAOYSA-N 1 1 488.459 4.761 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)c1cccc(O)c1 ZINC001492705558 1066865473 /nfs/dbraw/zinc/86/54/73/1066865473.db2.gz JWLDRKFPMVIKNT-MRXNPFEDSA-N 1 1 498.429 4.924 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001492705615 1066865507 /nfs/dbraw/zinc/86/55/07/1066865507.db2.gz LUQNHOJFCJOHKM-MOPGFXCFSA-N 1 1 470.593 4.546 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001492705618 1066866119 /nfs/dbraw/zinc/86/61/19/1066866119.db2.gz LUQNHOJFCJOHKM-RTBURBONSA-N 1 1 470.593 4.546 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(C(C)C)nnc1N1CCC(OCc2ccccc2F)CC1 ZINC001492705705 1066866186 /nfs/dbraw/zinc/86/61/86/1066866186.db2.gz OUCOMNPBZGGVNN-UHFFFAOYSA-N 1 1 454.594 4.712 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c(N(C)[C@H](C)c3cc(F)ccc3F)nnc2C(C)(C)C)cn1 ZINC001492705813 1066866219 /nfs/dbraw/zinc/86/62/19/1066866219.db2.gz RTHRTCCZPZVKEN-MRXNPFEDSA-N 1 1 465.552 4.989 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001492705959 1066867016 /nfs/dbraw/zinc/86/70/16/1066867016.db2.gz YASOCMIEFOBJQG-CEXWTWQISA-N 1 1 472.634 4.873 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(COc2ccccc2F)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001492706447 1066868304 /nfs/dbraw/zinc/86/83/04/1066868304.db2.gz NIJPJHRGQURKBQ-UHFFFAOYSA-N 1 1 484.620 4.765 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(C)C)C1 ZINC001492706724 1066869063 /nfs/dbraw/zinc/86/90/63/1066869063.db2.gz YCUBFOOAEMNUQN-FDFHNCONSA-N 1 1 485.677 4.516 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(C(C)C)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001492706974 1066869981 /nfs/dbraw/zinc/86/99/81/1066869981.db2.gz GTOUMMYBBHLCJF-MRXNPFEDSA-N 1 1 467.565 4.856 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001492707194 1066870166 /nfs/dbraw/zinc/87/01/66/1066870166.db2.gz NTTSWYAEZRYKDK-FQEVSTJZSA-N 1 1 487.446 4.554 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2cccc(Br)c2)nnc1N(C)OC1CCCC1 ZINC001492707498 1066870801 /nfs/dbraw/zinc/87/08/01/1066870801.db2.gz XUMJRUOWUGLJLR-UHFFFAOYSA-N 1 1 459.392 4.613 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H](C(F)F)C1 ZINC001492707244 1066870971 /nfs/dbraw/zinc/87/09/71/1066870971.db2.gz PFEMWFXMIMYDAY-HNNXBMFYSA-N 1 1 497.363 4.923 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001492708296 1066872414 /nfs/dbraw/zinc/87/24/14/1066872414.db2.gz WANXCHVUKRVBND-TUNNFDKTSA-N 1 1 485.677 4.613 20 0 JJADMO Cc1nc(CCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)sc1C ZINC001457586682 1066872332 /nfs/dbraw/zinc/87/23/32/1066872332.db2.gz XTLGIZCYOIAUJX-XZOQPEGZSA-N 1 1 454.039 4.988 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)[C@H]1CCSC1 ZINC001492709040 1066873149 /nfs/dbraw/zinc/87/31/49/1066873149.db2.gz UZMHXILKRNISFG-KRWDZBQOSA-N 1 1 481.453 4.701 20 0 JJADMO Cc1[nH+]ccn1CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCSC(C)(C)C1 ZINC001492709573 1066873735 /nfs/dbraw/zinc/87/37/35/1066873735.db2.gz MVIURWCWYRAWBR-INIZCTEOSA-N 1 1 461.035 4.608 20 0 JJADMO Cc1nccn1CCCn1c(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nnc1C(C)(C)C ZINC001492709893 1066874358 /nfs/dbraw/zinc/87/43/58/1066874358.db2.gz XBLWLXBFGARIGJ-XUZZJYLKSA-N 1 1 463.674 4.660 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001492710197 1066875043 /nfs/dbraw/zinc/87/50/43/1066875043.db2.gz HGTOPHVMVXGOHB-JOCHJYFZSA-N 1 1 493.656 4.551 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@H](C)c1nccs1 ZINC001492710346 1066875296 /nfs/dbraw/zinc/87/52/96/1066875296.db2.gz LXQYJDKCFSVADF-AWEZNQCLSA-N 1 1 459.982 4.639 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC001492710710 1066875956 /nfs/dbraw/zinc/87/59/56/1066875956.db2.gz ZIAUOFJCOFITBO-CQSZACIVSA-N 1 1 457.916 4.674 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(F)c(Cl)c1 ZINC001492710673 1066876046 /nfs/dbraw/zinc/87/60/46/1066876046.db2.gz XYYNBRVXTYGKBP-UHFFFAOYSA-N 1 1 492.784 4.670 20 0 JJADMO Cc1[nH+]ccn1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C)CC1 ZINC001492712292 1066877557 /nfs/dbraw/zinc/87/75/57/1066877557.db2.gz YIELTIMTXLGHJS-FQEVSTJZSA-N 1 1 450.631 4.986 20 0 JJADMO Cc1[nH+]ccn1CCn1c(COc2ccc(Br)cc2)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001492711990 1066877718 /nfs/dbraw/zinc/87/77/18/1066877718.db2.gz OLNQAEPIVTZSPN-LJQANCHMSA-N 1 1 485.430 4.617 20 0 JJADMO C[C@H](C(=O)Nc1cc(-c2ccc(Br)o2)no1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001457704974 1066900415 /nfs/dbraw/zinc/90/04/15/1066900415.db2.gz VDVRYRPQGJQFCO-OAHLLOKOSA-N 1 1 458.356 4.979 20 0 JJADMO Cc1cc(C)n([C@@H]2CCCN(c3nnc(Cc4ccc(Cl)cc4)n3CCC[N@H+](C)C(C)C)C2)n1 ZINC001492730782 1066901111 /nfs/dbraw/zinc/90/11/11/1066901111.db2.gz DCCTVBCXRQDFEU-XMMPIXPASA-N 1 1 484.092 4.907 20 0 JJADMO Cc1cc(C)n([C@H]2CCCN(c3nnc(Cc4ccccc4C)n3CCC[N@H+](C)C(C)C)C2)n1 ZINC001492731193 1066902001 /nfs/dbraw/zinc/90/20/01/1066902001.db2.gz NPAABUALBCSOKI-VWLOTQADSA-N 1 1 463.674 4.562 20 0 JJADMO COc1cc(/C=C(/C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c2ccccc2)ccc1O ZINC001448128596 1066903169 /nfs/dbraw/zinc/90/31/69/1066903169.db2.gz UYWUFWORCOJART-SIYKBWGXSA-N 1 1 456.586 4.968 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CCC[N@@H+](C)C2CCCCC2)n1 ZINC001492733723 1066907501 /nfs/dbraw/zinc/90/75/01/1066907501.db2.gz RKFFNFYQKXVPGJ-GBXCKJPGSA-N 1 1 455.695 4.809 20 0 JJADMO COc1cc(C(=O)Nc2ccc(Cl)c(C[N@H+](C)CCO)c2)ccc1OCc1ccccc1 ZINC001448224923 1066910716 /nfs/dbraw/zinc/91/07/16/1066910716.db2.gz GGQBNNISSKRUEF-UHFFFAOYSA-N 1 1 454.954 4.604 20 0 JJADMO COc1cc(C(=O)Nc2ccc(Cl)c(C[N@@H+](C)CCO)c2)ccc1OCc1ccccc1 ZINC001448224923 1066910727 /nfs/dbraw/zinc/91/07/27/1066910727.db2.gz GGQBNNISSKRUEF-UHFFFAOYSA-N 1 1 454.954 4.604 20 0 JJADMO C[N@H+](CCO)Cc1cc(NC(=O)C(C)(C)Cc2ccc(Br)cc2)ccc1Cl ZINC001448227192 1066911290 /nfs/dbraw/zinc/91/12/90/1066911290.db2.gz NKUGYQFYELSFIT-UHFFFAOYSA-N 1 1 453.808 4.734 20 0 JJADMO C[N@@H+](CCO)Cc1cc(NC(=O)C(C)(C)Cc2ccc(Br)cc2)ccc1Cl ZINC001448227192 1066911299 /nfs/dbraw/zinc/91/12/99/1066911299.db2.gz NKUGYQFYELSFIT-UHFFFAOYSA-N 1 1 453.808 4.734 20 0 JJADMO Cc1ccc(Oc2ccc(OCC(=O)Nc3ccc(Cl)c(C[N@H+](C)CCO)c3)cc2)cc1 ZINC001448231117 1066912248 /nfs/dbraw/zinc/91/22/48/1066912248.db2.gz YNQNSTOJUXPKGB-UHFFFAOYSA-N 1 1 454.954 4.882 20 0 JJADMO Cc1ccc(Oc2ccc(OCC(=O)Nc3ccc(Cl)c(C[N@@H+](C)CCO)c3)cc2)cc1 ZINC001448231117 1066912255 /nfs/dbraw/zinc/91/22/55/1066912255.db2.gz YNQNSTOJUXPKGB-UHFFFAOYSA-N 1 1 454.954 4.882 20 0 JJADMO O=C(Nc1cc(I)ccc1Cl)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001457754076 1066912324 /nfs/dbraw/zinc/91/23/24/1066912324.db2.gz VUTQQFYMRNPOAR-HNNXBMFYSA-N 1 1 454.739 4.795 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)C[C@H]3CC=CCC3)n2Cc2ccccc2C[N@H+](C)C(C)C)n1 ZINC001492737800 1066913169 /nfs/dbraw/zinc/91/31/69/1066913169.db2.gz DIPGLYJMQYGUNU-DEOSSOPVSA-N 1 1 475.685 4.821 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)CCCCc3ccccc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC001492739389 1066914139 /nfs/dbraw/zinc/91/41/39/1066914139.db2.gz HMCMJOAFZQNZDK-VWLOTQADSA-N 1 1 477.701 4.719 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CC[C@H](CC(C)C)C3)n2CCC[N@@H+](C)C2CCCCC2)n1 ZINC001492745470 1066921437 /nfs/dbraw/zinc/92/14/37/1066921437.db2.gz POGDXHSCIZEBIY-HSZRJFAPSA-N 1 1 455.695 4.667 20 0 JJADMO CC[C@H](Cn1c(CC2CCCC2)nnc1N1CCC[N@H+](C2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC001546005609 1066924163 /nfs/dbraw/zinc/92/41/63/1066924163.db2.gz GAFOGFVCIXWVQU-JOCHJYFZSA-N 1 1 488.721 4.769 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492749356 1066924231 /nfs/dbraw/zinc/92/42/31/1066924231.db2.gz ZAWALXISRCLUPI-JQVVWYNYSA-N 1 1 495.638 4.677 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCCC[C@@H](C)C3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492751371 1066926286 /nfs/dbraw/zinc/92/62/86/1066926286.db2.gz ZJKMHCFQCQNWDJ-NJYVYQBISA-N 1 1 455.695 4.523 20 0 JJADMO CC[C@H](Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)OC ZINC001546005938 1066926285 /nfs/dbraw/zinc/92/62/85/1066926285.db2.gz MBVAREGNIRWBNP-PZUNEJSGSA-N 1 1 453.675 4.579 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CC[N@H+](Cc4ccccc4)C[C@H]3C)n2CCCC(C)(C)C)n1 ZINC001492753135 1066926876 /nfs/dbraw/zinc/92/68/76/1066926876.db2.gz NGGJPYPWGDKHCP-HSZRJFAPSA-N 1 1 463.674 4.677 20 0 JJADMO CC(C)[C@H](NC(=O)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001448437196 1066927178 /nfs/dbraw/zinc/92/71/78/1066927178.db2.gz JUCGNRLTJRFRDB-PKTZIBPZSA-N 1 1 457.590 4.664 20 0 JJADMO O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)c1cnc(-c2ccccc2)s1 ZINC001457830075 1066929861 /nfs/dbraw/zinc/92/98/61/1066929861.db2.gz FBMLYJXEMNEOFW-UHFFFAOYSA-N 1 1 456.409 4.967 20 0 JJADMO Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC001448465235 1066930188 /nfs/dbraw/zinc/93/01/88/1066930188.db2.gz LORWCKCBNHSEKQ-XUZZJYLKSA-N 1 1 451.517 4.568 20 0 JJADMO Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC001448465234 1066930271 /nfs/dbraw/zinc/93/02/71/1066930271.db2.gz LORWCKCBNHSEKQ-URXFXBBRSA-N 1 1 451.517 4.568 20 0 JJADMO Cc1c[nH+]ccc1OC1CCN(C(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001448533194 1066936517 /nfs/dbraw/zinc/93/65/17/1066936517.db2.gz DOEZHXSQXVMOMF-AUSIDOKSSA-N 1 1 453.583 4.662 20 0 JJADMO Cc1nnc(CCCn2c(CC(C)(C)C)nnc2N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC001492766087 1066938566 /nfs/dbraw/zinc/93/85/66/1066938566.db2.gz AULZJXDBGYPGRQ-QFIPXVFZSA-N 1 1 481.714 4.618 20 0 JJADMO Cc1nnc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492799565 1066952644 /nfs/dbraw/zinc/95/26/44/1066952644.db2.gz IDHXCURUXWMFTN-GLDPYIMESA-N 1 1 460.066 4.558 20 0 JJADMO Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001492804963 1066953997 /nfs/dbraw/zinc/95/39/97/1066953997.db2.gz VHKRLIRZJNKIFZ-SFHVURJKSA-N 1 1 480.579 4.560 20 0 JJADMO Cc1nnc(N2CCC(OCCC(C)C)CC2)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001492820848 1066954958 /nfs/dbraw/zinc/95/49/58/1066954958.db2.gz MRBNAWDFWQYJRU-RDGATRHJSA-N 1 1 453.675 4.919 20 0 JJADMO Cc1nnc(N2CCc3cc(NC(=O)OC(C)(C)C)ccc3C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001492830400 1066955414 /nfs/dbraw/zinc/95/54/14/1066955414.db2.gz JHUAJXFKOSYILP-LJQANCHMSA-N 1 1 468.646 4.761 20 0 JJADMO C[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1)c1ccc(Br)cn1 ZINC001448758541 1066955910 /nfs/dbraw/zinc/95/59/10/1066955910.db2.gz UWSIOQPVBIUURB-NSISKUIASA-N 1 1 470.436 4.999 20 0 JJADMO CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)c1ccccc1 ZINC001546009892 1066960371 /nfs/dbraw/zinc/96/03/71/1066960371.db2.gz AZDJNVJGEOQKIR-OAQYLSRUSA-N 1 1 494.709 4.774 20 0 JJADMO Cc1nnc(N2CCO[C@@H](c3ccc(Br)cc3)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492940820 1066960800 /nfs/dbraw/zinc/96/08/00/1066960800.db2.gz DDCRILPDQIGVTQ-KGVIQGDOSA-N 1 1 490.490 4.683 20 0 JJADMO C[C@H]1C[C@@H](CCNC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC001458055937 1066963025 /nfs/dbraw/zinc/96/30/25/1066963025.db2.gz DGHWVWCWTZMFIF-AZUAARDMSA-N 1 1 456.512 4.922 20 0 JJADMO CO[C@H](C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(Br)s1 ZINC001458059872 1066964557 /nfs/dbraw/zinc/96/45/57/1066964557.db2.gz QCYHSWNYZHFLBN-VPWXQRGCSA-N 1 1 451.430 4.615 20 0 JJADMO CCOC(=O)Nc1ccc(Br)cc1NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001458068880 1066966053 /nfs/dbraw/zinc/96/60/53/1066966053.db2.gz KTJCWCPNKJOQBL-KRWDZBQOSA-N 1 1 454.752 4.912 20 0 JJADMO CC[C@@H](c1nnc(N(C)[C@@H](C)c2ccco2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545717877 1066972215 /nfs/dbraw/zinc/97/22/15/1066972215.db2.gz SXJFTCSWPPAHFX-OEMFJLHTSA-N 1 1 465.642 4.967 20 0 JJADMO CC[C@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC001545719119 1066973229 /nfs/dbraw/zinc/97/32/29/1066973229.db2.gz BEZOLXSBROGNJJ-SDMRFKEVSA-N 1 1 494.728 4.968 20 0 JJADMO Cc1ccc(NC(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)cc1Oc1ncccc1Br ZINC001448962732 1066973725 /nfs/dbraw/zinc/97/37/25/1066973725.db2.gz HKSBLWZNIGLLMH-GOSISDBHSA-N 1 1 456.344 4.687 20 0 JJADMO Cc1ccc(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)cc1Oc1ncccc1Br ZINC001448962732 1066973737 /nfs/dbraw/zinc/97/37/37/1066973737.db2.gz HKSBLWZNIGLLMH-GOSISDBHSA-N 1 1 456.344 4.687 20 0 JJADMO CC[C@@H](c1nnc(N(C)Cc2cc(Cl)ccn2)n1C[C@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC001545721439 1066975673 /nfs/dbraw/zinc/97/56/73/1066975673.db2.gz ACCSVRIYPSDFFS-WMZHIEFXSA-N 1 1 453.034 4.847 20 0 JJADMO CC[C@H](c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1C[C@@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC001545722551 1066978195 /nfs/dbraw/zinc/97/81/95/1066978195.db2.gz WIWGVQOCZIEVJM-UTKZUKDTSA-N 1 1 489.590 4.691 20 0 JJADMO COC(=O)c1cc(C)nc(NC[C@@H](c2ccc(C(C)C)cc2)[N@@H+]2CCc3sccc3C2)n1 ZINC001458110928 1066979005 /nfs/dbraw/zinc/97/90/05/1066979005.db2.gz BWGWECVFIINWOB-QFIPXVFZSA-N 1 1 450.608 4.968 20 0 JJADMO COC(=O)c1cc(C)nc(NC[C@@H](c2ccc(C(C)C)cc2)[N@H+]2CCc3sccc3C2)n1 ZINC001458110928 1066979017 /nfs/dbraw/zinc/97/90/17/1066979017.db2.gz BWGWECVFIINWOB-QFIPXVFZSA-N 1 1 450.608 4.968 20 0 JJADMO CC[C@H](c1nnc(N(C)CC2CCCCC2)n1C[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC001545724217 1066980398 /nfs/dbraw/zinc/98/03/98/1066980398.db2.gz NMONFAMXWFATFI-RDGATRHJSA-N 1 1 453.675 4.805 20 0 JJADMO CC[C@H](c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1c(C)coc1C)c1ccccc1 ZINC001545725952 1066982896 /nfs/dbraw/zinc/98/28/96/1066982896.db2.gz GVWIQUMJUXVEKO-IMSXRSKXSA-N 1 1 465.642 4.624 20 0 JJADMO CC[C@H](c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1c(C)coc1C)c1ccccc1 ZINC001545725952 1066982905 /nfs/dbraw/zinc/98/29/05/1066982905.db2.gz GVWIQUMJUXVEKO-IMSXRSKXSA-N 1 1 465.642 4.624 20 0 JJADMO Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001449155039 1066985945 /nfs/dbraw/zinc/98/59/45/1066985945.db2.gz UEMHESXYKVBJAE-FQEVSTJZSA-N 1 1 450.465 4.806 20 0 JJADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)CCc3nnc(-c4ccc(Cl)cc4)o3)C2)s1 ZINC001449179763 1066988084 /nfs/dbraw/zinc/98/80/84/1066988084.db2.gz YHUORMIRMHIOTO-KRWDZBQOSA-N 1 1 459.015 4.673 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)OCc1cn(-c2ccccc2Cl)nn1 ZINC001458149062 1066988300 /nfs/dbraw/zinc/98/83/00/1066988300.db2.gz BCLHCXRLGUFIGQ-IFMALSPDSA-N 1 1 452.986 4.758 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)n1Cc1ccnc(OC(F)F)c1)c1ccccc1 ZINC001545730570 1066988360 /nfs/dbraw/zinc/98/83/60/1066988360.db2.gz BQIXXGSWKNPKGO-XQBPLPMBSA-N 1 1 484.595 4.784 20 0 JJADMO C[N@@H+]1CCN(C(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)C[C@@H]1Cc1ccccc1 ZINC001449182680 1066988579 /nfs/dbraw/zinc/98/85/79/1066988579.db2.gz YGINBPLLRDARNE-FQEVSTJZSA-N 1 1 451.014 4.957 20 0 JJADMO C[N@H+]1CCN(C(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)C[C@@H]1Cc1ccccc1 ZINC001449182680 1066988587 /nfs/dbraw/zinc/98/85/87/1066988587.db2.gz YGINBPLLRDARNE-FQEVSTJZSA-N 1 1 451.014 4.957 20 0 JJADMO O=C(NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC001449232363 1066991716 /nfs/dbraw/zinc/99/17/16/1066991716.db2.gz WOORMGBXORKMNA-HXUWFJFHSA-N 1 1 454.452 4.745 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1C[C@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001545731896 1066991940 /nfs/dbraw/zinc/99/19/40/1066991940.db2.gz UUSWAGQKGGTGGE-BFLUCZKCSA-N 1 1 480.745 4.966 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)n1CCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545732006 1066992574 /nfs/dbraw/zinc/99/25/74/1066992574.db2.gz WESHESPCHZGVSS-FUPPJEDESA-N 1 1 484.689 4.606 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1CCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545732009 1066993125 /nfs/dbraw/zinc/99/31/25/1066993125.db2.gz WESHESPCHZGVSS-QZNHQXDQSA-N 1 1 484.689 4.606 20 0 JJADMO C/C(=C/C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1C(F)(F)F ZINC001449285803 1066995757 /nfs/dbraw/zinc/99/57/57/1066995757.db2.gz OSVDADIUZWWPKK-XPUAKXTGSA-N 1 1 457.540 4.527 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC001449321749 1066999173 /nfs/dbraw/zinc/99/91/73/1066999173.db2.gz GDKZXQUJVQJHED-JCYYIGJDSA-N 1 1 475.677 4.665 20 0 JJADMO CC[C@]1(C)CN(c2nnc(Cc3ccsc3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CCO1 ZINC001546097991 1067002878 /nfs/dbraw/zinc/00/28/78/1067002878.db2.gz USVMHBUZYDISBF-XUZZJYLKSA-N 1 1 474.074 4.892 20 0 JJADMO CC[C@H](c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1Cc1cccnc1OC)c1ccccc1 ZINC001545738580 1067002913 /nfs/dbraw/zinc/00/29/13/1067002913.db2.gz KKWDDJLXVIJERB-VWLOTQADSA-N 1 1 476.669 4.829 20 0 JJADMO CC[C@H](c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CCNC(=O)C(C)(C)C)c1ccccc1 ZINC001545738559 1067003069 /nfs/dbraw/zinc/00/30/69/1067003069.db2.gz KAXZUDIKDPCCMO-DEOSSOPVSA-N 1 1 482.717 4.539 20 0 JJADMO CC[C@@H](c1nnc(N2CC[C@H](C3CCOCC3)C2)n1CCC[N@@H+](C)C(C)C)c1ccccc1 ZINC001545738701 1067003704 /nfs/dbraw/zinc/00/37/04/1067003704.db2.gz NESIUEBOJWGYQE-LOSJGSFVSA-N 1 1 453.675 4.803 20 0 JJADMO CC[C@H](c1nnc(N2CCC(CO)CC2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545738854 1067003869 /nfs/dbraw/zinc/00/38/69/1067003869.db2.gz PGTHTMOEYCBDAL-ZEVJAHDQSA-N 1 1 467.702 4.787 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC001545739056 1067004412 /nfs/dbraw/zinc/00/44/12/1067004412.db2.gz SDQGSZYFTYCJCZ-NZQKXSOJSA-N 1 1 493.618 4.957 20 0 JJADMO CC[C@H](c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CC(=O)NC1CCCCC1)c1ccccc1 ZINC001545739376 1067005045 /nfs/dbraw/zinc/00/50/45/1067005045.db2.gz YYSKPMCJJBPYQN-SANMLTNESA-N 1 1 494.728 4.826 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC001545740638 1067005739 /nfs/dbraw/zinc/00/57/39/1067005739.db2.gz BBBPJPKMBWSHRV-HYBUGGRVSA-N 1 1 496.700 4.796 20 0 JJADMO CC[C@H](c1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC001545740639 1067005995 /nfs/dbraw/zinc/00/59/95/1067005995.db2.gz BBBPJPKMBWSHRV-RDPSFJRHSA-N 1 1 496.700 4.796 20 0 JJADMO CN(C)c1cc(Br)cc(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001458230955 1067008502 /nfs/dbraw/zinc/00/85/02/1067008502.db2.gz OVWCKXRHZJZQPP-YFXJRYMSSA-N 1 1 456.428 4.546 20 0 JJADMO CC[C@H](c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CC[N@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001545743330 1067009832 /nfs/dbraw/zinc/00/98/32/1067009832.db2.gz HVSMSXXCHIXVCW-NRFANRHFSA-N 1 1 493.618 4.836 20 0 JJADMO CC(C)n1nnnc1-c1ccc(NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)cc1F ZINC001458242787 1067010362 /nfs/dbraw/zinc/01/03/62/1067010362.db2.gz JEZLREBQSLOJQH-UHFFFAOYSA-N 1 1 458.541 4.944 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)C(C)C)c1ccccc1 ZINC001545749340 1067019731 /nfs/dbraw/zinc/01/97/31/1067019731.db2.gz MZHRYJBXIPJRQH-DNQXCXABSA-N 1 1 498.716 4.996 20 0 JJADMO COC(=O)c1ccccc1CCC(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC001458279969 1067019851 /nfs/dbraw/zinc/01/98/51/1067019851.db2.gz MOBROCIRYRIHGD-DEOSSOPVSA-N 1 1 452.595 4.824 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1C[C@@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC001545749384 1067019912 /nfs/dbraw/zinc/01/99/12/1067019912.db2.gz NHHMIWAYDCKPRU-YFNKSVMNSA-N 1 1 453.675 4.946 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@@H](n3nc(C)nc3C)C2)n1CC[N@H+](C)[C@@H](C)CC)c1ccccc1 ZINC001545749555 1067020512 /nfs/dbraw/zinc/02/05/12/1067020512.db2.gz PPNBXOFKPYTTSB-BUUDZMLXSA-N 1 1 478.689 4.600 20 0 JJADMO COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC001458285008 1067021511 /nfs/dbraw/zinc/02/15/11/1067021511.db2.gz VBVBSIBWQCTBGW-XUZZJYLKSA-N 1 1 452.595 4.980 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001449742471 1067024699 /nfs/dbraw/zinc/02/46/99/1067024699.db2.gz LBKIEANMFCVKCC-NHCUHLMSSA-N 1 1 450.023 4.600 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001449742471 1067024716 /nfs/dbraw/zinc/02/47/16/1067024716.db2.gz LBKIEANMFCVKCC-NHCUHLMSSA-N 1 1 450.023 4.600 20 0 JJADMO CC[C@H](c1nnc(N2CCCN(C(C)=O)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC001545751699 1067024920 /nfs/dbraw/zinc/02/49/20/1067024920.db2.gz KBIDFTSRBYYGJY-OZXSUGGESA-N 1 1 480.701 4.533 20 0 JJADMO CC[C@@H](c1nnc(N2CCCCCCC2)n1CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC001545751709 1067025403 /nfs/dbraw/zinc/02/54/03/1067025403.db2.gz KEYGWIYMXXFZJX-LOSJGSFVSA-N 1 1 453.675 4.827 20 0 JJADMO CC[C@H](c1nnc(N2CCCC[C@H](SC)C2)n1CC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC001545752422 1067028017 /nfs/dbraw/zinc/02/80/17/1067028017.db2.gz XHZCBSVKLXYUBA-GOTSBHOMSA-N 1 1 471.715 4.653 20 0 JJADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC001545757492 1067035893 /nfs/dbraw/zinc/03/58/93/1067035893.db2.gz ZWHIRUVLRJSYPK-URXFXBBRSA-N 1 1 496.103 4.925 20 0 JJADMO CC[C@@H](c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1C[C@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC001545758158 1067036429 /nfs/dbraw/zinc/03/64/29/1067036429.db2.gz ASPNJLXQBPKILA-MDNUFGMLSA-N 1 1 492.634 4.767 20 0 JJADMO CC[C@@H](c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC001545758176 1067036704 /nfs/dbraw/zinc/03/67/04/1067036704.db2.gz BAJALHKXWMLQRH-FYYLOGMGSA-N 1 1 492.634 4.625 20 0 JJADMO C[C@@H](NC(=O)CCc1ccccc1NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001458345958 1067037301 /nfs/dbraw/zinc/03/73/01/1067037301.db2.gz DEIDIOSVLLKNQG-OFNKIYASSA-N 1 1 451.611 4.993 20 0 JJADMO CC[C@@H](c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCC(C)(F)F)c1ccccc1 ZINC001545758476 1067037378 /nfs/dbraw/zinc/03/73/78/1067037378.db2.gz HNHVYCUPWYPLQK-AOHZBQACSA-N 1 1 488.671 4.860 20 0 JJADMO CC[C@H](c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCC(C)(F)F)c1ccccc1 ZINC001545758479 1067038150 /nfs/dbraw/zinc/03/81/50/1067038150.db2.gz HNHVYCUPWYPLQK-ZDXQCDESSA-N 1 1 488.671 4.860 20 0 JJADMO CC[C@@H](c1nnc(N2CC[N@@H+](CCOC)[C@@H](CC)C2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545758498 1067038569 /nfs/dbraw/zinc/03/85/69/1067038569.db2.gz IEYYSQXJUABSBW-RPEQPCMISA-N 1 1 483.701 4.571 20 0 JJADMO CC[C@H](c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CCC[N@@H+](C)C(C)C)c1ccccc1 ZINC001545759233 1067041699 /nfs/dbraw/zinc/04/16/99/1067041699.db2.gz VAMDOTSGVREXRF-VWLOTQADSA-N 1 1 480.701 4.532 20 0 JJADMO CC[C@H](c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CC[N@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001545760566 1067043574 /nfs/dbraw/zinc/04/35/74/1067043574.db2.gz FUZQGIDWRXIHLZ-SFTDATJTSA-N 1 1 479.591 4.710 20 0 JJADMO CC[C@@H](c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545761195 1067044903 /nfs/dbraw/zinc/04/49/03/1067044903.db2.gz OFGNRDNUJCGORB-OUMDNPPYSA-N 1 1 497.728 4.959 20 0 JJADMO CC[C@@H](c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1C[C@@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC001545761794 1067045750 /nfs/dbraw/zinc/04/57/50/1067045750.db2.gz XGDRGLPIZXAQFY-SZEHJLNQSA-N 1 1 453.675 4.944 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001450114027 1067050387 /nfs/dbraw/zinc/05/03/87/1067050387.db2.gz KCTRZBKLUAEELJ-LADGPHEKSA-N 1 1 459.675 4.681 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)c1noc(-c2ccc(F)cc2)n1 ZINC001450123311 1067050918 /nfs/dbraw/zinc/05/09/18/1067050918.db2.gz YUVAASYPNPFGOU-HSZRJFAPSA-N 1 1 450.558 4.681 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001450120377 1067050989 /nfs/dbraw/zinc/05/09/89/1067050989.db2.gz RHBJPDGFILQPCO-XPGKHFPBSA-N 1 1 483.697 4.966 20 0 JJADMO O=C(NCCc1cccc(C(F)(F)F)n1)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001450122874 1067051422 /nfs/dbraw/zinc/05/14/22/1067051422.db2.gz ULOUQQZCXLPHQA-JOCHJYFZSA-N 1 1 459.487 4.800 20 0 JJADMO COc1ccc(OCCC(=O)N(Cc2ccncc2)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001450154051 1067055132 /nfs/dbraw/zinc/05/51/32/1067055132.db2.gz TWCXFTNTRHNRHQ-VWLOTQADSA-N 1 1 459.590 4.553 20 0 JJADMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)C[C@@H]1C ZINC001458431121 1067058800 /nfs/dbraw/zinc/05/88/00/1067058800.db2.gz PDDNFNCYIUNFIL-IRXDYDNUSA-N 1 1 458.400 4.565 20 0 JJADMO CCC(CC)(Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)SC ZINC001545771582 1067059374 /nfs/dbraw/zinc/05/93/74/1067059374.db2.gz TYDAGBIQOPPJME-RDJZCZTQSA-N 1 1 481.508 4.630 20 0 JJADMO CCC(CC)(Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)SC ZINC001545771695 1067059687 /nfs/dbraw/zinc/05/96/87/1067059687.db2.gz XECPCJVXVJHXAX-ICSRJNTNSA-N 1 1 494.105 4.514 20 0 JJADMO CCC(CC)(Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)SC ZINC001545771695 1067059703 /nfs/dbraw/zinc/05/97/03/1067059703.db2.gz XECPCJVXVJHXAX-ICSRJNTNSA-N 1 1 494.105 4.514 20 0 JJADMO CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[N@H+](C(C)(C)C)CC1)c1ccccc1 ZINC001546020533 1067060520 /nfs/dbraw/zinc/06/05/20/1067060520.db2.gz INUWDPNJWHOQGR-NHTMILBNSA-N 1 1 469.674 4.507 20 0 JJADMO CCC(CC)(Cn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](Cc2cccs2)CC1)OC ZINC001545772556 1067061133 /nfs/dbraw/zinc/06/11/33/1067061133.db2.gz CZWYFGNONTXBPF-UHFFFAOYSA-N 1 1 469.655 4.543 20 0 JJADMO COC(=O)Nc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c(Cl)c1 ZINC001458444994 1067061668 /nfs/dbraw/zinc/06/16/68/1067061668.db2.gz ASYZFOCOYHVRMM-DJJJIMSYSA-N 1 1 454.329 4.734 20 0 JJADMO COC(=O)Nc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(Cl)c1 ZINC001458444996 1067062016 /nfs/dbraw/zinc/06/20/16/1067062016.db2.gz ASYZFOCOYHVRMM-ORAYPTAESA-N 1 1 454.329 4.734 20 0 JJADMO Cc1cc(Br)ccc1CC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458444622 1067062067 /nfs/dbraw/zinc/06/20/67/1067062067.db2.gz AJDFYQDMWPNBDW-IERDGZPVSA-N 1 1 453.783 4.902 20 0 JJADMO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Cl)nc2C(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458445844 1067062652 /nfs/dbraw/zinc/06/26/52/1067062652.db2.gz FEFADERTNZNQNX-ZBEGNZNMSA-N 1 1 450.263 4.969 20 0 JJADMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(Cl)nc2C(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458445844 1067062665 /nfs/dbraw/zinc/06/26/65/1067062665.db2.gz FEFADERTNZNQNX-ZBEGNZNMSA-N 1 1 450.263 4.969 20 0 JJADMO CCC(CC)(Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)OC ZINC001545774016 1067064315 /nfs/dbraw/zinc/06/43/15/1067064315.db2.gz BFGIMWAREFNRIS-DYESRHJHSA-N 1 1 496.483 4.614 20 0 JJADMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(OCc3ccccc3)nc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458450731 1067065445 /nfs/dbraw/zinc/06/54/45/1067065445.db2.gz WBBPYORGLVESAE-NTKDMRAZSA-N 1 1 453.945 4.876 20 0 JJADMO CCC(CC)(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1)OC ZINC001545774295 1067065927 /nfs/dbraw/zinc/06/59/27/1067065927.db2.gz KHEBMCSKFPCBJV-UHFFFAOYSA-N 1 1 483.060 4.911 20 0 JJADMO CCC(CC)(Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)OC ZINC001545774561 1067067540 /nfs/dbraw/zinc/06/75/40/1067067540.db2.gz TVSHTLPTPMKYNF-JOCHJYFZSA-N 1 1 485.673 4.621 20 0 JJADMO CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)SC ZINC001545778101 1067073341 /nfs/dbraw/zinc/07/33/41/1067073341.db2.gz XAJKRLLQLBEOGV-OYRHEFFESA-N 1 1 488.746 4.531 20 0 JJADMO COc1ccccc1[C@H]1[C@@H](C(=O)Nc2cc[nH+]c(N(C)C)c2)CCC(=O)N1c1ccc(C)cc1 ZINC001458493071 1067074339 /nfs/dbraw/zinc/07/43/39/1067074339.db2.gz UWANLVMLCDPDQB-NVQXNPDNSA-N 1 1 458.562 4.588 20 0 JJADMO CCC(O)(CC)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001546022540 1067077430 /nfs/dbraw/zinc/07/74/30/1067077430.db2.gz HOUWMTBLQYDOCK-IRLDBZIGSA-N 1 1 490.092 4.914 20 0 JJADMO CCOc1ccc([C@H](O)C2CCN(C(=O)[C@H]3CCCC[N@@H+]3Cc3cccc(F)c3)CC2)cc1 ZINC001450418035 1067079473 /nfs/dbraw/zinc/07/94/73/1067079473.db2.gz VCNBWKOKUBJXRT-FTJBHMTQSA-N 1 1 454.586 4.551 20 0 JJADMO CCOc1ccc([C@H](O)C2CCN(C(=O)[C@H]3CCCC[N@H+]3Cc3cccc(F)c3)CC2)cc1 ZINC001450418035 1067079491 /nfs/dbraw/zinc/07/94/91/1067079491.db2.gz VCNBWKOKUBJXRT-FTJBHMTQSA-N 1 1 454.586 4.551 20 0 JJADMO O=C(NCCc1ccc(Br)cc1Cl)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001450471623 1067083438 /nfs/dbraw/zinc/08/34/38/1067083438.db2.gz PJMWARRRPMYWQE-HXUWFJFHSA-N 1 1 453.783 4.955 20 0 JJADMO O=C(NCCc1ccc(Br)cc1Cl)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001450471623 1067083448 /nfs/dbraw/zinc/08/34/48/1067083448.db2.gz PJMWARRRPMYWQE-HXUWFJFHSA-N 1 1 453.783 4.955 20 0 JJADMO O=C(NCc1ccc(Br)cc1C(F)(F)F)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001458612538 1067095320 /nfs/dbraw/zinc/09/53/20/1067095320.db2.gz DOMYEESZWGFBLH-KRWDZBQOSA-N 1 1 455.318 4.996 20 0 JJADMO CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)CC[N@@H+](C)C3CCCCC3)c2)c1 ZINC001450630281 1067097823 /nfs/dbraw/zinc/09/78/23/1067097823.db2.gz RNSHBBMUSLBVIE-UHFFFAOYSA-N 1 1 451.567 4.709 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)COc1ccc2ccccc2c1Br ZINC001458628491 1067098455 /nfs/dbraw/zinc/09/84/55/1067098455.db2.gz JLHVBMHWLRMOMY-UTKZUKDTSA-N 1 1 453.380 4.618 20 0 JJADMO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 ZINC001450697243 1067105313 /nfs/dbraw/zinc/10/53/13/1067105313.db2.gz WAJDGPALXCKAIN-UHFFFAOYSA-N 1 1 453.384 4.576 20 0 JJADMO COc1ccc(CN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[C@@H](C)C2CC2)c(OC)c1 ZINC001450710031 1067108959 /nfs/dbraw/zinc/10/89/59/1067108959.db2.gz ILNJFFCQZPOIQD-WMZHIEFXSA-N 1 1 454.586 4.882 20 0 JJADMO CCC(CC)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCN2CCCC[C@H]2C1)[NH+](C)C ZINC001545805776 1067121585 /nfs/dbraw/zinc/12/15/85/1067121585.db2.gz RWSXWSPKZCDTNC-XZOQPEGZSA-N 1 1 459.082 4.639 20 0 JJADMO Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC001450809996 1067125196 /nfs/dbraw/zinc/12/51/96/1067125196.db2.gz YTQNGRLJWCUYJB-DYESRHJHSA-N 1 1 451.567 4.841 20 0 JJADMO CCC1(CC)CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001546103293 1067133519 /nfs/dbraw/zinc/13/35/19/1067133519.db2.gz FVKLFHUTCRAZCX-ZJSXRUAMSA-N 1 1 487.664 4.931 20 0 JJADMO Cc1cccc(-n2c(=O)c3ccccc3nc2SCCC[NH+]2CCN(C(C)C)CC2)c1C ZINC001458784067 1067145103 /nfs/dbraw/zinc/14/51/03/1067145103.db2.gz YJMITSAPIZDVCZ-UHFFFAOYSA-N 1 1 450.652 4.511 20 0 JJADMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1cc(O)ccc1C(F)(F)F ZINC001451109025 1067146693 /nfs/dbraw/zinc/14/66/93/1067146693.db2.gz JOPJSUVNOYXTGS-JTHBVZDNSA-N 1 1 458.455 4.948 20 0 JJADMO C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001451110402 1067147594 /nfs/dbraw/zinc/14/75/94/1067147594.db2.gz NVGSRLZLNRBBEG-VFHOHQAYSA-N 1 1 462.540 4.958 20 0 JJADMO C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001451110402 1067147599 /nfs/dbraw/zinc/14/75/99/1067147599.db2.gz NVGSRLZLNRBBEG-VFHOHQAYSA-N 1 1 462.540 4.958 20 0 JJADMO CCOc1ccc(-c2nnc(SC[C@H](C)C[NH+]3CCOCC3)n2-c2ccccc2F)cc1 ZINC001458851356 1067172576 /nfs/dbraw/zinc/17/25/76/1067172576.db2.gz GQIKXCMMIGEPQR-GOSISDBHSA-N 1 1 456.587 4.533 20 0 JJADMO CCC(CC)c1cc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)on1 ZINC001545826523 1067174550 /nfs/dbraw/zinc/17/45/50/1067174550.db2.gz OWNAUTKKHRDNTK-SFHVURJKSA-N 1 1 487.048 4.981 20 0 JJADMO C/C(=C\C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1)c1ccccc1C(F)(F)F ZINC001458871760 1067180840 /nfs/dbraw/zinc/18/08/40/1067180840.db2.gz CZNOOQQNHWYZPU-GERLKTCDSA-N 1 1 451.577 4.904 20 0 JJADMO CCc1nnc(N2CCC[C@H]2c2ccc(OC)cc2OC)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001546510657 1067200445 /nfs/dbraw/zinc/20/04/45/1067200445.db2.gz KAFWTEHXBDBJLC-IMSXRSKXSA-N 1 1 469.674 4.957 20 0 JJADMO CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1(C)C ZINC001451950602 1067200643 /nfs/dbraw/zinc/20/06/43/1067200643.db2.gz MHQXZKOWAFRIHZ-KIHHCIJBSA-N 1 1 469.670 4.733 20 0 JJADMO CCC1(CC)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001546105000 1067203807 /nfs/dbraw/zinc/20/38/07/1067203807.db2.gz QOLVLDBVKXHENO-UHFFFAOYSA-N 1 1 477.600 4.674 20 0 JJADMO CCC1(CC)CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001546105059 1067205920 /nfs/dbraw/zinc/20/59/20/1067205920.db2.gz SMGTZNILYJYYNM-UHFFFAOYSA-N 1 1 455.647 4.853 20 0 JJADMO CCC1(CC)CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001546105084 1067207506 /nfs/dbraw/zinc/20/75/06/1067207506.db2.gz UHKURCQOEUYVQX-UHFFFAOYSA-N 1 1 458.448 4.986 20 0 JJADMO O=C(CCc1cccc(OCc2ccccc2)c1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001458970748 1067213261 /nfs/dbraw/zinc/21/32/61/1067213261.db2.gz DKELNQQHXAPCMA-NDEPHWFRSA-N 1 1 458.602 4.606 20 0 JJADMO Cc1cc2cc(C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)oc2c(Br)c1 ZINC001458972864 1067213664 /nfs/dbraw/zinc/21/36/64/1067213664.db2.gz JILIUFDIUVRTMB-LJQANCHMSA-N 1 1 457.368 4.525 20 0 JJADMO CCC(O)(CC)Cn1c(Cc2csc(C)n2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001546038697 1067224890 /nfs/dbraw/zinc/22/48/90/1067224890.db2.gz WHAYKVYWUMSWHT-HXUWFJFHSA-N 1 1 488.746 4.666 20 0 JJADMO O=c1c2c(ncn1CC/C=C\c1ccc(Br)cc1)C[N@@H+](Cc1ccccc1)CC2 ZINC001459024692 1067231254 /nfs/dbraw/zinc/23/12/54/1067231254.db2.gz AFMYKZHQQVHZTI-XQRVVYSFSA-N 1 1 450.380 4.668 20 0 JJADMO O=c1c2c(ncn1CC/C=C\c1ccc(Br)cc1)C[N@H+](Cc1ccccc1)CC2 ZINC001459024692 1067231260 /nfs/dbraw/zinc/23/12/60/1067231260.db2.gz AFMYKZHQQVHZTI-XQRVVYSFSA-N 1 1 450.380 4.668 20 0 JJADMO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N[C@H](CO)c2csc(C(C)C)n2)c1 ZINC001452568847 1067235204 /nfs/dbraw/zinc/23/52/04/1067235204.db2.gz SWUFWAILWOLUBT-RBZQAINGSA-N 1 1 463.647 4.640 20 0 JJADMO CC(C)N1CC[NH+](CCCSc2nc3cc(F)ccc3n2CCOc2ccccc2)CC1 ZINC001459033907 1067235361 /nfs/dbraw/zinc/23/53/61/1067235361.db2.gz BJJTYUBJWJDUHF-UHFFFAOYSA-N 1 1 456.631 4.763 20 0 JJADMO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 ZINC001452714109 1067245960 /nfs/dbraw/zinc/24/59/60/1067245960.db2.gz MXLFDRFAMUCPFD-LEWJYISDSA-N 1 1 450.476 4.741 20 0 JJADMO CC(C)(C)c1ccc(OCc2ccc(C(=O)N[C@@H]3C[C@@H]([NH+]4CCOCC4)C3(C)C)cc2)cc1 ZINC001452714137 1067246095 /nfs/dbraw/zinc/24/60/95/1067246095.db2.gz NDRRCOXCZXTWIX-JWQCQUIFSA-N 1 1 450.623 4.792 20 0 JJADMO CCC(O)(CC)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001546043666 1067249633 /nfs/dbraw/zinc/24/96/33/1067249633.db2.gz ZUKJVXYZGJZBQU-OLKYXYMISA-N 1 1 489.749 4.839 20 0 JJADMO C[C@@H]1Cc2c([nH+]cn2CC(=O)Nc2ccc(Oc3ccc(Br)cc3)nc2)C[C@@H]1C ZINC001459102276 1067251152 /nfs/dbraw/zinc/25/11/52/1067251152.db2.gz CNPZFOWQZIYPQQ-LSDHHAIUSA-N 1 1 455.356 4.842 20 0 JJADMO Cc1cc(Br)c2c(c1)CN(C(=O)c1ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc1)CC2 ZINC001459238849 1067276344 /nfs/dbraw/zinc/27/63/44/1067276344.db2.gz AJRHEIMAWOJLOK-ROUUACIJSA-N 1 1 457.412 4.565 20 0 JJADMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3nnc(Cc4ccc(Cl)cc4)s3)cc2)C[C@H](C)O1 ZINC001459283100 1067282657 /nfs/dbraw/zinc/28/26/57/1067282657.db2.gz WNOXAAIVVSDJFX-HOTGVXAUSA-N 1 1 456.999 4.644 20 0 JJADMO CCN(C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1)[C@@H]1CC[N@@H+](CC)C1 ZINC001453177688 1067286951 /nfs/dbraw/zinc/28/69/51/1067286951.db2.gz MKWFVBQHQIKRKC-HXUWFJFHSA-N 1 1 458.400 4.566 20 0 JJADMO Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(C(=O)NCc4ccc(C)c(F)c4)CC3)o2)cc1C ZINC001459309215 1067290025 /nfs/dbraw/zinc/29/00/25/1067290025.db2.gz KCUNMPNVKMFQFF-IBGZPJMESA-N 1 1 450.558 4.890 20 0 JJADMO CCOC(=O)c1c(NC(=O)C[N@H+](C)CCCOc2ccccc2C)sc2c1CC[C@@H](C)C2 ZINC001459331899 1067296904 /nfs/dbraw/zinc/29/69/04/1067296904.db2.gz HWJDXQYPKKSIPZ-QGZVFWFLSA-N 1 1 458.624 4.697 20 0 JJADMO CCOC(=O)c1c(NC(=O)C[N@@H+](C)CCCOc2ccccc2C)sc2c1CC[C@@H](C)C2 ZINC001459331899 1067296911 /nfs/dbraw/zinc/29/69/11/1067296911.db2.gz HWJDXQYPKKSIPZ-QGZVFWFLSA-N 1 1 458.624 4.697 20 0 JJADMO COc1ccc([C@H]2CCCN2C(=O)C[NH+]2CCC(Oc3cc(C)ccc3C)CC2)c(OC)c1 ZINC001459344539 1067298732 /nfs/dbraw/zinc/29/87/32/1067298732.db2.gz MEMJMTIOGYVVBY-XMMPIXPASA-N 1 1 452.595 4.528 20 0 JJADMO CC[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[C@@H](C)c1ccc(F)cc1 ZINC001459343482 1067298775 /nfs/dbraw/zinc/29/87/75/1067298775.db2.gz BEJZDLOSODPKJM-INIZCTEOSA-N 1 1 453.480 4.703 20 0 JJADMO CC[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[C@@H](C)c1ccc(F)cc1 ZINC001459343482 1067298782 /nfs/dbraw/zinc/29/87/82/1067298782.db2.gz BEJZDLOSODPKJM-INIZCTEOSA-N 1 1 453.480 4.703 20 0 JJADMO Cc1ccc(NC(=O)NC(=O)C[N@@H+](C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)cc1C ZINC001459350391 1067301061 /nfs/dbraw/zinc/30/10/61/1067301061.db2.gz NVMDCSIKFTZYCX-UHFFFAOYSA-N 1 1 451.489 4.641 20 0 JJADMO Cc1ccc(NC(=O)NC(=O)C[N@H+](C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)cc1C ZINC001459350391 1067301070 /nfs/dbraw/zinc/30/10/70/1067301070.db2.gz NVMDCSIKFTZYCX-UHFFFAOYSA-N 1 1 451.489 4.641 20 0 JJADMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2nc(-c3ccc(CCC)cc3)cs2)C1 ZINC001459361013 1067302769 /nfs/dbraw/zinc/30/27/69/1067302769.db2.gz BWWIZKNWQMNEBH-GHTZIAJQSA-N 1 1 456.656 4.718 20 0 JJADMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2nc(-c3ccc(CCC)cc3)cs2)C1 ZINC001459361013 1067302780 /nfs/dbraw/zinc/30/27/80/1067302780.db2.gz BWWIZKNWQMNEBH-GHTZIAJQSA-N 1 1 456.656 4.718 20 0 JJADMO CC[N@H+](CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)Cc1cccc(Br)c1 ZINC001459377318 1067307617 /nfs/dbraw/zinc/30/76/17/1067307617.db2.gz YVZZDTZTDGIQJZ-UHFFFAOYSA-N 1 1 455.278 4.805 20 0 JJADMO CC[N@@H+](CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)Cc1cccc(Br)c1 ZINC001459377318 1067307632 /nfs/dbraw/zinc/30/76/32/1067307632.db2.gz YVZZDTZTDGIQJZ-UHFFFAOYSA-N 1 1 455.278 4.805 20 0 JJADMO CC[N@@H+](Cc1cc(I)cc(I)c1)[C@@H](C)C(C)C ZINC001459383616 1067309563 /nfs/dbraw/zinc/30/95/63/1067309563.db2.gz UGLOXJYFCVMQIX-NSHDSACASA-N 1 1 457.137 4.762 20 0 JJADMO CC[N@@H+](Cc1cc(I)cc(I)c1)[C@H](C)C(C)C ZINC001459383613 1067309666 /nfs/dbraw/zinc/30/96/66/1067309666.db2.gz UGLOXJYFCVMQIX-LLVKDONJSA-N 1 1 457.137 4.762 20 0 JJADMO COc1cccc(S(=O)(=O)CC[N@@H+](Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC001459388300 1067310987 /nfs/dbraw/zinc/31/09/87/1067310987.db2.gz AWLMZMQYLQIKED-SELNLUPBSA-N 1 1 459.608 4.525 20 0 JJADMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC001459407587 1067314939 /nfs/dbraw/zinc/31/49/39/1067314939.db2.gz URBQICOXKXHQGC-QPPBQGQZSA-N 1 1 451.611 4.988 20 0 JJADMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC001459407587 1067314947 /nfs/dbraw/zinc/31/49/47/1067314947.db2.gz URBQICOXKXHQGC-QPPBQGQZSA-N 1 1 451.611 4.988 20 0 JJADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(F)(F)c1cccc(Br)c1 ZINC001459416742 1067318873 /nfs/dbraw/zinc/31/88/73/1067318873.db2.gz NTOQOKHUUZHXHG-IBGZPJMESA-N 1 1 451.355 4.958 20 0 JJADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC001459419443 1067319902 /nfs/dbraw/zinc/31/99/02/1067319902.db2.gz ULYOFTCQLDRKQO-QHCPKHFHSA-N 1 1 451.611 4.832 20 0 JJADMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC001459431891 1067324502 /nfs/dbraw/zinc/32/45/02/1067324502.db2.gz HQFNVFDNMPLGBI-QFIPXVFZSA-N 1 1 453.384 4.509 20 0 JJADMO CCOC(=O)C1C(C[NH2+]C(C)(C)CCc2ccccc2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001459441004 1067325715 /nfs/dbraw/zinc/32/57/15/1067325715.db2.gz UMXZPGHQHWNPKB-QFIPXVFZSA-N 1 1 455.986 4.512 20 0 JJADMO C[C@H](O)C[N@H+](CC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2)C1CCCCC1 ZINC001459452990 1067326950 /nfs/dbraw/zinc/32/69/50/1067326950.db2.gz SYXICGMNTTZJCV-SFHVURJKSA-N 1 1 454.636 4.812 20 0 JJADMO C[C@H](O)C[N@@H+](CC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2)C1CCCCC1 ZINC001459452990 1067326962 /nfs/dbraw/zinc/32/69/62/1067326962.db2.gz SYXICGMNTTZJCV-SFHVURJKSA-N 1 1 454.636 4.812 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H]([N@H+](CC(=O)Nc2ccc(Cl)nc2)Cc2ccccc2)C1 ZINC001459458502 1067328479 /nfs/dbraw/zinc/32/84/79/1067328479.db2.gz PMCDKWXCUUDNLD-FQEVSTJZSA-N 1 1 458.990 4.575 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H]([N@@H+](CC(=O)Nc2ccc(Cl)nc2)Cc2ccccc2)C1 ZINC001459458502 1067328492 /nfs/dbraw/zinc/32/84/92/1067328492.db2.gz PMCDKWXCUUDNLD-FQEVSTJZSA-N 1 1 458.990 4.575 20 0 JJADMO CCS[C@H]1CCCC[N@@H+](CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(OC)cc2)C1 ZINC001459461422 1067330035 /nfs/dbraw/zinc/33/00/35/1067330035.db2.gz DDUVHAHMTLFVDB-UKILVPOCSA-N 1 1 451.636 4.981 20 0 JJADMO CCOc1ccc(Br)cc1C[N@H+](C[C@@H]1CN(C2CCCCC2)C(=O)O1)C1CC1 ZINC001459463312 1067330378 /nfs/dbraw/zinc/33/03/78/1067330378.db2.gz IBDYALSZWFKATH-HXUWFJFHSA-N 1 1 451.405 4.966 20 0 JJADMO CCOc1ccc(Br)cc1C[N@@H+](C[C@@H]1CN(C2CCCCC2)C(=O)O1)C1CC1 ZINC001459463312 1067330390 /nfs/dbraw/zinc/33/03/90/1067330390.db2.gz IBDYALSZWFKATH-HXUWFJFHSA-N 1 1 451.405 4.966 20 0 JJADMO C[N@@H+](Cc1cc(Br)cc(F)c1F)C[C@H](O)COc1ccccc1C(F)(F)F ZINC001459473123 1067334229 /nfs/dbraw/zinc/33/42/29/1067334229.db2.gz DITIQOMURSJTIG-ZDUSSCGKSA-N 1 1 454.233 4.618 20 0 JJADMO C[N@H+](Cc1cc(Br)cc(F)c1F)C[C@H](O)COc1ccccc1C(F)(F)F ZINC001459473123 1067334241 /nfs/dbraw/zinc/33/42/41/1067334241.db2.gz DITIQOMURSJTIG-ZDUSSCGKSA-N 1 1 454.233 4.618 20 0 JJADMO COc1ccc(C[NH+]2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)c(Br)c1OC ZINC001459473355 1067334309 /nfs/dbraw/zinc/33/43/09/1067334309.db2.gz CFDZTYWZCQXXQK-CQSZACIVSA-N 1 1 457.409 4.592 20 0 JJADMO O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001453892543 1067334666 /nfs/dbraw/zinc/33/46/66/1067334666.db2.gz RJCLMSRDGIZJLG-DBXWQHBBSA-N 1 1 476.429 4.515 20 0 JJADMO O=C(C[N@H+](Cc1ccccc1)CC1CCOCC1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC001459477399 1067334703 /nfs/dbraw/zinc/33/47/03/1067334703.db2.gz HGXBMTHIHYBNDC-UHFFFAOYSA-N 1 1 453.583 4.740 20 0 JJADMO CCOc1cc(C[N@@H+](CCc2ccc(Cl)cc2)CC2CC2)nc2nc(C(F)(F)F)nn21 ZINC001459493030 1067338050 /nfs/dbraw/zinc/33/80/50/1067338050.db2.gz SASPBTGXAUXBFI-UHFFFAOYSA-N 1 1 453.896 4.650 20 0 JJADMO Cc1ccc(CN2CCCN(C(=O)C[N@H+](CCc3ccc(Cl)cc3)CC3CC3)CC2)cc1 ZINC001459495616 1067338320 /nfs/dbraw/zinc/33/83/20/1067338320.db2.gz XQHXTJOJIOHAAH-UHFFFAOYSA-N 1 1 454.058 4.637 20 0 JJADMO Cc1ccc(CN2CCCN(C(=O)C[N@@H+](CCc3ccc(Cl)cc3)CC3CC3)CC2)cc1 ZINC001459495616 1067338335 /nfs/dbraw/zinc/33/83/35/1067338335.db2.gz XQHXTJOJIOHAAH-UHFFFAOYSA-N 1 1 454.058 4.637 20 0 JJADMO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001459496215 1067339269 /nfs/dbraw/zinc/33/92/69/1067339269.db2.gz ZSJBZPIOGFZYEX-DYVFJYSZSA-N 1 1 455.864 4.842 20 0 JJADMO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001459496215 1067339281 /nfs/dbraw/zinc/33/92/81/1067339281.db2.gz ZSJBZPIOGFZYEX-DYVFJYSZSA-N 1 1 455.864 4.842 20 0 JJADMO Cc1ccc(CNC(=O)c2ccccc2NC(=O)C[N@H+](Cc2ccc(F)cc2)CC2CC2)cc1 ZINC001459500387 1067339529 /nfs/dbraw/zinc/33/95/29/1067339529.db2.gz FUBQQNMUKDLVRH-UHFFFAOYSA-N 1 1 459.565 4.915 20 0 JJADMO CS(=O)(=O)c1cccc(OCC[NH+]2CCC(COc3cc(Cl)cc(Cl)c3)CC2)c1 ZINC001459510198 1067341677 /nfs/dbraw/zinc/34/16/77/1067341677.db2.gz BXAXFJXXXAVOAT-UHFFFAOYSA-N 1 1 458.407 4.567 20 0 JJADMO COc1ccc(CN2CCN(C(=O)C[N@@H+](C)[C@H](C)c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC001459558611 1067350968 /nfs/dbraw/zinc/35/09/68/1067350968.db2.gz WYJVVBKLEXLHSB-HSZRJFAPSA-N 1 1 457.618 4.699 20 0 JJADMO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC001459561073 1067352006 /nfs/dbraw/zinc/35/20/06/1067352006.db2.gz CEYSZFLXEUSPCS-GMAHTHKFSA-N 1 1 456.428 4.507 20 0 JJADMO O=C(c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001459562465 1067352145 /nfs/dbraw/zinc/35/21/45/1067352145.db2.gz VQBHSCVJWDWWRN-QGZVFWFLSA-N 1 1 450.476 4.696 20 0 JJADMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]([C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC001459582211 1067356311 /nfs/dbraw/zinc/35/63/11/1067356311.db2.gz MPJCRVJWIWUVOX-RDJZCZTQSA-N 1 1 456.484 4.758 20 0 JJADMO C[N@@H+](C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@H]1CCSc2ccc(Br)cc21 ZINC001459580508 1067356523 /nfs/dbraw/zinc/35/65/23/1067356523.db2.gz DMBJAIZLIJIKAV-RDJZCZTQSA-N 1 1 457.434 4.554 20 0 JJADMO O=C(C[N@H+](CCCO)[C@@H]1CCCc2ccccc21)Nc1ccc(Br)cc1Cl ZINC001459584278 1067357542 /nfs/dbraw/zinc/35/75/42/1067357542.db2.gz RIGCGZPUFSHRMX-HXUWFJFHSA-N 1 1 451.792 4.803 20 0 JJADMO CCO[C@@H](C)c1nc(CN2CC[NH+](Cc3ccc(OCc4ccncc4)cc3)CC2)cs1 ZINC001459590146 1067358821 /nfs/dbraw/zinc/35/88/21/1067358821.db2.gz FNFMRFJUZUQLQX-FQEVSTJZSA-N 1 1 452.624 4.532 20 0 JJADMO O=C(C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1)NCc1ccc(OC(F)(F)F)cc1 ZINC001459604569 1067361019 /nfs/dbraw/zinc/36/10/19/1067361019.db2.gz AJWBHFHNGVZOQO-MJGOQNOKSA-N 1 1 456.530 4.631 20 0 JJADMO CC[N@H+](C)C[C@@H]1CCN(C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001459609469 1067362822 /nfs/dbraw/zinc/36/28/22/1067362822.db2.gz MPQQSNBQSWICFK-FDDCHVKYSA-N 1 1 451.438 4.734 20 0 JJADMO CC[N@@H+](C)C[C@@H]1CCN(C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001459609469 1067362836 /nfs/dbraw/zinc/36/28/36/1067362836.db2.gz MPQQSNBQSWICFK-FDDCHVKYSA-N 1 1 451.438 4.734 20 0 JJADMO C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC001459615923 1067365320 /nfs/dbraw/zinc/36/53/20/1067365320.db2.gz PBYGSTVYZWFAEI-TWXAQOBRSA-N 1 1 451.611 4.879 20 0 JJADMO C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC001459615923 1067365329 /nfs/dbraw/zinc/36/53/29/1067365329.db2.gz PBYGSTVYZWFAEI-TWXAQOBRSA-N 1 1 451.611 4.879 20 0 JJADMO CC[N@@H+](CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)C[C@@H](O)c1ccc(C)cc1 ZINC001459633828 1067368805 /nfs/dbraw/zinc/36/88/05/1067368805.db2.gz COLICXKTTWTQLQ-LBNVMWSVSA-N 1 1 455.602 4.780 20 0 JJADMO CC[N@H+](CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)C[C@@H](O)c1ccc(C)cc1 ZINC001459633828 1067368817 /nfs/dbraw/zinc/36/88/17/1067368817.db2.gz COLICXKTTWTQLQ-LBNVMWSVSA-N 1 1 455.602 4.780 20 0 JJADMO CCN(C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2nc(-c3ccc(C)cc3)cs2)C1)CC(F)(F)F ZINC001459631160 1067368870 /nfs/dbraw/zinc/36/88/70/1067368870.db2.gz KSFIVNGDKSIZQT-SJORKVTESA-N 1 1 454.562 4.652 20 0 JJADMO CCN(C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2nc(-c3ccc(C)cc3)cs2)C1)CC(F)(F)F ZINC001459631160 1067368882 /nfs/dbraw/zinc/36/88/82/1067368882.db2.gz KSFIVNGDKSIZQT-SJORKVTESA-N 1 1 454.562 4.652 20 0 JJADMO C[N@H+](Cc1nc(-c2cc(Br)cs2)no1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC001459635659 1067369224 /nfs/dbraw/zinc/36/92/24/1067369224.db2.gz ORUPICMGIHWIGL-UHFFFAOYSA-N 1 1 459.410 4.543 20 0 JJADMO C[N@@H+](Cc1nc(-c2cc(Br)cs2)no1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC001459635659 1067369234 /nfs/dbraw/zinc/36/92/34/1067369234.db2.gz ORUPICMGIHWIGL-UHFFFAOYSA-N 1 1 459.410 4.543 20 0 JJADMO COc1ccc(NC(=O)c2c(NC(=O)C[N@@H+]3CCC[C@H](C)[C@H]3C)sc3c2CCCC3)cc1 ZINC001459643798 1067370583 /nfs/dbraw/zinc/37/05/83/1067370583.db2.gz UNNPWGOLZHSGHK-DLBZAZTESA-N 1 1 455.624 4.947 20 0 JJADMO COc1ccc(NC(=O)c2c(NC(=O)C[N@H+]3CCC[C@H](C)[C@H]3C)sc3c2CCCC3)cc1 ZINC001459643798 1067370591 /nfs/dbraw/zinc/37/05/91/1067370591.db2.gz UNNPWGOLZHSGHK-DLBZAZTESA-N 1 1 455.624 4.947 20 0 JJADMO CN(C[C@@H]1CCC[N@@H+]1Cc1ncc(-c2ccc(Br)cc2)o1)C(=O)OC(C)(C)C ZINC001459652606 1067372243 /nfs/dbraw/zinc/37/22/43/1067372243.db2.gz MSPBPRVVAWIVRB-KRWDZBQOSA-N 1 1 450.377 4.935 20 0 JJADMO CN(C[C@@H]1CCC[N@H+]1Cc1ncc(-c2ccc(Br)cc2)o1)C(=O)OC(C)(C)C ZINC001459652606 1067372253 /nfs/dbraw/zinc/37/22/53/1067372253.db2.gz MSPBPRVVAWIVRB-KRWDZBQOSA-N 1 1 450.377 4.935 20 0 JJADMO CN(C[C@H]1CCC[N@@H+]1Cc1ncc(-c2ccc(Br)cc2)o1)C(=O)OC(C)(C)C ZINC001459652610 1067372356 /nfs/dbraw/zinc/37/23/56/1067372356.db2.gz MSPBPRVVAWIVRB-QGZVFWFLSA-N 1 1 450.377 4.935 20 0 JJADMO CN(C[C@H]1CCC[N@H+]1Cc1ncc(-c2ccc(Br)cc2)o1)C(=O)OC(C)(C)C ZINC001459652610 1067372366 /nfs/dbraw/zinc/37/23/66/1067372366.db2.gz MSPBPRVVAWIVRB-QGZVFWFLSA-N 1 1 450.377 4.935 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(C(=O)N(C)Cc2ccccc2)cn1 ZINC001459661881 1067375124 /nfs/dbraw/zinc/37/51/24/1067375124.db2.gz GEBLTRBGGHBORC-CLJLJLNGSA-N 1 1 470.617 4.841 20 0 JJADMO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc(C(=O)N(C)Cc3ccccc3)cn2)c1 ZINC001459664290 1067375694 /nfs/dbraw/zinc/37/56/94/1067375694.db2.gz PPIYBOYQZJPEGP-VWLOTQADSA-N 1 1 456.590 4.655 20 0 JJADMO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(C(=O)N(C)Cc3ccccc3)cn2)c1 ZINC001459664290 1067375705 /nfs/dbraw/zinc/37/57/05/1067375705.db2.gz PPIYBOYQZJPEGP-VWLOTQADSA-N 1 1 456.590 4.655 20 0 JJADMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2coc(-c3ccc(I)cc3)n2)C12CCC2 ZINC001459664825 1067376094 /nfs/dbraw/zinc/37/60/94/1067376094.db2.gz BYFXCWWXEPROHU-MSOLQXFVSA-N 1 1 452.336 4.726 20 0 JJADMO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[N@@H+](C)[C@H]1C[C@@H](OCC)C12CCC2 ZINC001459664654 1067376379 /nfs/dbraw/zinc/37/63/79/1067376379.db2.gz AWTRDRYPKURBLS-LEWJYISDSA-N 1 1 456.608 4.810 20 0 JJADMO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[N@H+](C)[C@H]1C[C@@H](OCC)C12CCC2 ZINC001459664654 1067376387 /nfs/dbraw/zinc/37/63/87/1067376387.db2.gz AWTRDRYPKURBLS-LEWJYISDSA-N 1 1 456.608 4.810 20 0 JJADMO CSc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC001459666073 1067376887 /nfs/dbraw/zinc/37/68/87/1067376887.db2.gz YJMWYATULWASHF-PKOBYXMFSA-N 1 1 459.999 4.731 20 0 JJADMO CC[C@@](C)([NH2+]CC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1nccs1 ZINC001459668881 1067378129 /nfs/dbraw/zinc/37/81/29/1067378129.db2.gz DXCACNDTBOZYPR-AREMUKBSSA-N 1 1 459.619 4.586 20 0 JJADMO COc1cccc([C@H](O)C[N@H+](Cc2ccccc2)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC001459669852 1067378359 /nfs/dbraw/zinc/37/83/59/1067378359.db2.gz KOUAQYMUCLFDCO-QFZRFWILSA-N 1 1 454.611 4.734 20 0 JJADMO COc1cccc([C@@H](O)C[N@H+](Cc2ccccc2)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC001459669857 1067378526 /nfs/dbraw/zinc/37/85/26/1067378526.db2.gz KOUAQYMUCLFDCO-XRODADMRSA-N 1 1 454.611 4.734 20 0 JJADMO CS(=O)(=O)c1ccc(-c2nc(C[N@@H+]3CCCCC[C@H]3C[C@H](O)c3ccccc3)co2)cc1 ZINC001459669556 1067378562 /nfs/dbraw/zinc/37/85/62/1067378562.db2.gz IXQPMQDDFUUMRH-UPVQGACJSA-N 1 1 454.592 4.613 20 0 JJADMO CS(=O)(=O)c1ccc(-c2nc(C[N@H+]3CCCCC[C@H]3C[C@H](O)c3ccccc3)co2)cc1 ZINC001459669556 1067378576 /nfs/dbraw/zinc/37/85/76/1067378576.db2.gz IXQPMQDDFUUMRH-UPVQGACJSA-N 1 1 454.592 4.613 20 0 JJADMO Cc1ccc(CN(C(=O)C[N@H+]2CCCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)cc1 ZINC001459687405 1067383821 /nfs/dbraw/zinc/38/38/21/1067383821.db2.gz PUQMHQVPYDKXRA-BJKOFHAPSA-N 1 1 455.643 4.740 20 0 JJADMO CCCc1ccc(-c2csc(NC(=O)C[NH2+][C@H](c3ccccc3)[C@H](C)C(=O)OC)n2)cc1 ZINC001459703530 1067388531 /nfs/dbraw/zinc/38/85/31/1067388531.db2.gz FDNZTDPRZFCARR-SBUREZEXSA-N 1 1 451.592 4.841 20 0 JJADMO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C ZINC001459705979 1067389366 /nfs/dbraw/zinc/38/93/66/1067389366.db2.gz GOVPVTXJBIUNIR-MRXNPFEDSA-N 1 1 456.425 4.630 20 0 JJADMO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)cs2)cc1 ZINC001459716593 1067394299 /nfs/dbraw/zinc/39/42/99/1067394299.db2.gz CSUXSIVFPWTHLU-LPHOPBHVSA-N 1 1 459.612 4.722 20 0 JJADMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)cs2)cc1 ZINC001459716593 1067394312 /nfs/dbraw/zinc/39/43/12/1067394312.db2.gz CSUXSIVFPWTHLU-LPHOPBHVSA-N 1 1 459.612 4.722 20 0 JJADMO C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)c1ccc2c(c1)CCCC2 ZINC001459724853 1067396853 /nfs/dbraw/zinc/39/68/53/1067396853.db2.gz ZBOIRNSUQKUVPT-XHOYROJHSA-N 1 1 457.659 4.756 20 0 JJADMO COc1cc2c(c(OC)c1OC)CC[N@@H+]([C@H](C)c1nc(Cc3ccc(Cl)cc3)no1)CC2 ZINC001459748257 1067404472 /nfs/dbraw/zinc/40/44/72/1067404472.db2.gz PTKDSQSZXXSYAV-OAHLLOKOSA-N 1 1 457.958 4.501 20 0 JJADMO COc1cc2c(c(OC)c1OC)CC[N@H+]([C@H](C)c1nc(Cc3ccc(Cl)cc3)no1)CC2 ZINC001459748257 1067404474 /nfs/dbraw/zinc/40/44/74/1067404474.db2.gz PTKDSQSZXXSYAV-OAHLLOKOSA-N 1 1 457.958 4.501 20 0 JJADMO CC(C)(C)OC(=O)N1CCC2(CO[C@H](C[N@@H+](Cc3ccccc3)CC3(O)CCCC3)C2)CC1 ZINC001459757873 1067409841 /nfs/dbraw/zinc/40/98/41/1067409841.db2.gz ANLSKMMQYVLXKD-QHCPKHFHSA-N 1 1 458.643 4.600 20 0 JJADMO Cc1cccc([C@H](O)C[N@H+](Cc2ccccc2)C[C@@H](O)COc2cccc(C(F)(F)F)c2)c1 ZINC001459762311 1067412539 /nfs/dbraw/zinc/41/25/39/1067412539.db2.gz IEJJBUTUONQTAJ-ILBGXUMGSA-N 1 1 459.508 4.989 20 0 JJADMO O=C(CC[NH+]1CCN(c2ccc(F)cc2Cl)CC1)Nc1ccc(Br)cc1F ZINC001459779674 1067417724 /nfs/dbraw/zinc/41/77/24/1067417724.db2.gz PILUTGUAHHCHLO-UHFFFAOYSA-N 1 1 458.734 4.532 20 0 JJADMO CC(C)NC(=O)c1ccccc1NC(=O)C[N@H+]1CCc2ccccc2[C@H](c2ccccc2)[C@@H]1C ZINC001459784835 1067420921 /nfs/dbraw/zinc/42/09/21/1067420921.db2.gz GNZKBFIBXFRYAO-KMRXNPHXSA-N 1 1 455.602 4.842 20 0 JJADMO O[C@@H](COc1ccccc1C(F)(F)F)C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001459790046 1067423325 /nfs/dbraw/zinc/42/33/25/1067423325.db2.gz ZKKJHUSHDZXZJE-QWHCGFSZSA-N 1 1 454.436 4.800 20 0 JJADMO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CC(=O)N(CC)[C@H](C)c1ccc(F)cc1 ZINC001459792850 1067425652 /nfs/dbraw/zinc/42/56/52/1067425652.db2.gz WDKWFECZMOBFBV-HXAGEGRHSA-N 1 1 454.634 4.671 20 0 JJADMO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3cccc(SC(F)(F)F)c3)C2)cc1 ZINC001459795090 1067427168 /nfs/dbraw/zinc/42/71/68/1067427168.db2.gz JFUSJMRMWYEQEW-GOSISDBHSA-N 1 1 458.571 4.797 20 0 JJADMO CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001459797029 1067427553 /nfs/dbraw/zinc/42/75/53/1067427553.db2.gz NHFINHHGBRYAPL-CZJMCEMMSA-N 1 1 459.631 4.515 20 0 JJADMO Cn1ccc(C[N@H+](Cc2ccccc2)C[C@H](O)c2cccc(OCc3ccccc3)c2)cc1=O ZINC001459795824 1067427647 /nfs/dbraw/zinc/42/76/47/1067427647.db2.gz AKVBOZZVSKUIGU-NDEPHWFRSA-N 1 1 454.570 4.700 20 0 JJADMO COc1cccc(OCC[NH+]2CCN(Cc3ccc(OCc4ccc(F)cc4)cc3)CC2)c1 ZINC001459798380 1067428686 /nfs/dbraw/zinc/42/86/86/1067428686.db2.gz QZLHHWSZHSETPK-UHFFFAOYSA-N 1 1 450.554 4.610 20 0 JJADMO COc1cccc(OCCN2CC[NH+](Cc3ccc(OCc4ccc(F)cc4)cc3)CC2)c1 ZINC001459798380 1067428690 /nfs/dbraw/zinc/42/86/90/1067428690.db2.gz QZLHHWSZHSETPK-UHFFFAOYSA-N 1 1 450.554 4.610 20 0 JJADMO C[N@@H+](CC(=O)Nc1ccc(SC(F)F)cc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001459798678 1067428698 /nfs/dbraw/zinc/42/86/98/1067428698.db2.gz UBRDTJBJZASMDX-SJPCQFCGSA-N 1 1 455.571 4.802 20 0 JJADMO CC[N@@H+](CCC1CCN(Cc2nc(-c3ccc(Br)s3)no2)CC1)CC1CC1 ZINC001459816845 1067436565 /nfs/dbraw/zinc/43/65/65/1067436565.db2.gz GBPQMVGSVUILPL-UHFFFAOYSA-N 1 1 453.450 4.895 20 0 JJADMO CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CC[N@H+]1C[C@H](O)c1cc(OC)ccc1OC ZINC001459819664 1067437759 /nfs/dbraw/zinc/43/77/59/1067437759.db2.gz IMZBUSQOPPUMEZ-UGKGYDQZSA-N 1 1 452.517 4.747 20 0 JJADMO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 ZINC001459820614 1067438356 /nfs/dbraw/zinc/43/83/56/1067438356.db2.gz SVOFXPBJHVGOEW-RXFWQSSRSA-N 1 1 457.574 4.647 20 0 JJADMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 ZINC001459820614 1067438361 /nfs/dbraw/zinc/43/83/61/1067438361.db2.gz SVOFXPBJHVGOEW-RXFWQSSRSA-N 1 1 457.574 4.647 20 0 JJADMO C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1OC(F)F)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC001459823951 1067440210 /nfs/dbraw/zinc/44/02/10/1067440210.db2.gz FPGYNQNIZZFWFU-ZIAGYGMSSA-N 1 1 451.901 4.746 20 0 JJADMO Cc1ccc(-c2cc(NC(=O)C[N@@H+](C)Cc3cccc(N(C)C)c3)n(-c3ccccc3)n2)cc1 ZINC001459826265 1067441327 /nfs/dbraw/zinc/44/13/27/1067441327.db2.gz ATADFYGWRYGJQX-UHFFFAOYSA-N 1 1 453.590 4.984 20 0 JJADMO Cc1ccc(-c2cc(NC(=O)C[N@H+](C)Cc3cccc(N(C)C)c3)n(-c3ccccc3)n2)cc1 ZINC001459826265 1067441333 /nfs/dbraw/zinc/44/13/33/1067441333.db2.gz ATADFYGWRYGJQX-UHFFFAOYSA-N 1 1 453.590 4.984 20 0 JJADMO Cc1cc(Br)cc2cc([C@H](C(C)C)[N@H+](C)Cc3nc4c(cnn4C)c(=O)[nH]3)oc21 ZINC001459831182 1067443722 /nfs/dbraw/zinc/44/37/22/1067443722.db2.gz BAEHHOXCJMNHIT-SFHVURJKSA-N 1 1 458.360 4.715 20 0 JJADMO Cc1cc(Br)cc2cc([C@H](C(C)C)[N@@H+](C)Cc3nc4c(cnn4C)c(=O)[nH]3)oc21 ZINC001459831182 1067443725 /nfs/dbraw/zinc/44/37/25/1067443725.db2.gz BAEHHOXCJMNHIT-SFHVURJKSA-N 1 1 458.360 4.715 20 0 JJADMO COc1ccc(C[N@@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC001459832135 1067444382 /nfs/dbraw/zinc/44/43/82/1067444382.db2.gz FAAFBHWHRUAIPZ-LAUBAEHRSA-N 1 1 455.986 4.946 20 0 JJADMO COC[C@H]([NH2+]CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1cccc(C(F)(F)F)c1 ZINC001459833697 1067445329 /nfs/dbraw/zinc/44/53/29/1067445329.db2.gz CULTXEGDWVTDIA-KRWDZBQOSA-N 1 1 453.461 4.884 20 0 JJADMO COc1ccc(-c2csc(NC(=O)C[NH2+][C@H](c3ccc(F)cc3F)C3CC3)n2)c(OC)c1 ZINC001459837263 1067446522 /nfs/dbraw/zinc/44/65/22/1067446522.db2.gz OHAOBXPCRPNXCN-QFIPXVFZSA-N 1 1 459.518 4.785 20 0 JJADMO Cc1ccc2sc(N(Cc3ccccc3)C(=O)C[N@H+](C)C[C@H]3CCCC[C@@H]3O)nc2c1C ZINC001459842648 1067449574 /nfs/dbraw/zinc/44/95/74/1067449574.db2.gz UMZCAYZUARZHNA-YADHBBJMSA-N 1 1 451.636 4.929 20 0 JJADMO Cc1ccc2sc(N(Cc3ccccc3)C(=O)C[N@@H+](C)C[C@H]3CCCC[C@@H]3O)nc2c1C ZINC001459842648 1067449578 /nfs/dbraw/zinc/44/95/78/1067449578.db2.gz UMZCAYZUARZHNA-YADHBBJMSA-N 1 1 451.636 4.929 20 0 JJADMO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1Cl)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC001459847385 1067452503 /nfs/dbraw/zinc/45/25/03/1067452503.db2.gz BNJVCOHLZOUWMV-MJBXVCDLSA-N 1 1 457.785 4.984 20 0 JJADMO O[C@@H](C[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1)c1ccc(F)c(Br)c1 ZINC001459851033 1067456252 /nfs/dbraw/zinc/45/62/52/1067456252.db2.gz GFBJYITZJDCSGL-LPHOPBHVSA-N 1 1 451.384 4.667 20 0 JJADMO O[C@@H](C[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1)c1ccc(F)c(Br)c1 ZINC001459851033 1067456254 /nfs/dbraw/zinc/45/62/54/1067456254.db2.gz GFBJYITZJDCSGL-LPHOPBHVSA-N 1 1 451.384 4.667 20 0 JJADMO COc1cc(F)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1OC ZINC001459860495 1067461345 /nfs/dbraw/zinc/46/13/45/1067461345.db2.gz XYDJFORYSDEKIY-IAGOWNOFSA-N 1 1 450.510 4.752 20 0 JJADMO Cc1cc(C[N@@H+]2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(C)cc1I ZINC001459864751 1067463042 /nfs/dbraw/zinc/46/30/42/1067463042.db2.gz USPGISHZTMQUMX-CVEARBPZSA-N 1 1 458.384 4.643 20 0 JJADMO Cc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(C)cc1I ZINC001459864755 1067463686 /nfs/dbraw/zinc/46/36/86/1067463686.db2.gz USPGISHZTMQUMX-HZPDHXFCSA-N 1 1 458.384 4.643 20 0 JJADMO COC(=O)c1ccc2c(c1)nc(C[N@@H+](C)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)[nH]c2=O ZINC001459869830 1067466256 /nfs/dbraw/zinc/46/62/56/1067466256.db2.gz MQSVYGILOLWFOH-PXNSSMCTSA-N 1 1 459.468 4.909 20 0 JJADMO COC(=O)c1ccc2c(c1)nc(C[N@@H+](C)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)[nH]c2=O ZINC001459869833 1067466287 /nfs/dbraw/zinc/46/62/87/1067466287.db2.gz MQSVYGILOLWFOH-XLIONFOSSA-N 1 1 459.468 4.909 20 0 JJADMO Cc1ccc(NC(=O)N2CC[NH+](CCCN(C(=O)OC(C)(C)C)C3CC3)CC2)cc1Cl ZINC001459875553 1067469438 /nfs/dbraw/zinc/46/94/38/1067469438.db2.gz LRGHKCFRUSHFJB-UHFFFAOYSA-N 1 1 451.011 4.588 20 0 JJADMO Cc1sc(NC(=O)C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)nc1-c1ccc(Cl)cc1 ZINC001459890869 1067475354 /nfs/dbraw/zinc/47/53/54/1067475354.db2.gz MIGCVQMMVDDRND-NRFANRHFSA-N 1 1 456.011 4.984 20 0 JJADMO Cc1sc(NC(=O)C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)nc1-c1ccc(Cl)cc1 ZINC001459890869 1067475358 /nfs/dbraw/zinc/47/53/58/1067475358.db2.gz MIGCVQMMVDDRND-NRFANRHFSA-N 1 1 456.011 4.984 20 0 JJADMO CCOC(=O)c1cc(C[NH2+][C@@H](C)c2sc(-c3ccc(Br)cc3)nc2C)on1 ZINC001459896030 1067477744 /nfs/dbraw/zinc/47/77/44/1067477744.db2.gz BKALWILKMQFGEU-NSHDSACASA-N 1 1 450.358 4.897 20 0 JJADMO Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001459907941 1067484094 /nfs/dbraw/zinc/48/40/94/1067484094.db2.gz FJXVJYYPNWXTPP-LLVKDONJSA-N 1 1 455.399 4.728 20 0 JJADMO CCOC(=O)c1cc(C[NH2+][C@H](C)c2sc(-c3ccccc3Br)nc2C)on1 ZINC001459910728 1067485880 /nfs/dbraw/zinc/48/58/80/1067485880.db2.gz NYEGKLLRAIGGGW-LLVKDONJSA-N 1 1 450.358 4.897 20 0 JJADMO CC[C@H]1CN(CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC001459916558 1067489477 /nfs/dbraw/zinc/48/94/77/1067489477.db2.gz MWSFDZGMZMPVNP-YTMVLYRLSA-N 1 1 459.609 4.970 20 0 JJADMO CC[C@@H]1CN([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC[N@H+]1Cc1ccccc1 ZINC001459918238 1067490482 /nfs/dbraw/zinc/49/04/82/1067490482.db2.gz XJLAEZCFRCIOFO-DNQXCXABSA-N 1 1 459.556 4.793 20 0 JJADMO CC[C@@H]1C[N@@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CCN1Cc1ccccc1 ZINC001459918238 1067490491 /nfs/dbraw/zinc/49/04/91/1067490491.db2.gz XJLAEZCFRCIOFO-DNQXCXABSA-N 1 1 459.556 4.793 20 0 JJADMO CC[C@@H]1C[N@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CCN1Cc1ccccc1 ZINC001459918238 1067490494 /nfs/dbraw/zinc/49/04/94/1067490494.db2.gz XJLAEZCFRCIOFO-DNQXCXABSA-N 1 1 459.556 4.793 20 0 JJADMO CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC001459933213 1067497338 /nfs/dbraw/zinc/49/73/38/1067497338.db2.gz JSLJOQAYYWPJHH-OAQYLSRUSA-N 1 1 452.599 4.873 20 0 JJADMO C[N@H+](Cc1ccccc1)C[C@@H](CN[C@H](CO)c1cccc(Br)c1)c1ccccc1 ZINC001459934879 1067498035 /nfs/dbraw/zinc/49/80/35/1067498035.db2.gz UYKJRROYSQYHQF-ILBGXUMGSA-N 1 1 453.424 4.988 20 0 JJADMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cc(Br)c(C(F)(F)F)cc1F ZINC001459940254 1067500063 /nfs/dbraw/zinc/50/00/63/1067500063.db2.gz KSFKKDHAFJPIRQ-UHFFFAOYSA-N 1 1 451.258 4.794 20 0 JJADMO CCC[N@@H+](C)[C@H](CNC(=O)c1cnn(-c2ccccc2OC)c1CC)c1ccc(Cl)cc1 ZINC001459944981 1067501800 /nfs/dbraw/zinc/50/18/00/1067501800.db2.gz IWRXDLHNTUDAHN-HSZRJFAPSA-N 1 1 455.002 4.910 20 0 JJADMO COc1ccccc1-c1nc(C[NH2+][C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)co1 ZINC001459951364 1067504339 /nfs/dbraw/zinc/50/43/39/1067504339.db2.gz QCHZMQHZUGEYPF-NZQKXSOJSA-N 1 1 457.933 4.983 20 0 JJADMO COc1cccc(-c2nnc(C[N@H+](Cc3cccc(Br)c3)C3CCOCC3)o2)c1 ZINC001459952792 1067504938 /nfs/dbraw/zinc/50/49/38/1067504938.db2.gz LKXZMBCYHDEQAH-UHFFFAOYSA-N 1 1 458.356 4.689 20 0 JJADMO COc1cccc(-c2nnc(C[N@@H+](Cc3cccc(Br)c3)C3CCOCC3)o2)c1 ZINC001459952792 1067504943 /nfs/dbraw/zinc/50/49/43/1067504943.db2.gz LKXZMBCYHDEQAH-UHFFFAOYSA-N 1 1 458.356 4.689 20 0 JJADMO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3ccncc3)CC2)cc1 ZINC001459952888 1067505164 /nfs/dbraw/zinc/50/51/64/1067505164.db2.gz QOKFXFZVSOSNQD-LJQANCHMSA-N 1 1 458.562 4.549 20 0 JJADMO Cc1ccc(F)c(N2CCC[C@@H]([N@H+]3CCCC4(CCN(C(=O)OC(C)(C)C)CC4)C3)C2=O)c1 ZINC001459953032 1067505489 /nfs/dbraw/zinc/50/54/89/1067505489.db2.gz NZCWMWVWDDWROH-OAQYLSRUSA-N 1 1 459.606 4.743 20 0 JJADMO FC1(F)Oc2cccc(CC[N@@H+](Cc3cccc(Br)c3)C3CCOCC3)c2O1 ZINC001459954439 1067505761 /nfs/dbraw/zinc/50/57/61/1067505761.db2.gz YMVCBPSCXUTCDL-UHFFFAOYSA-N 1 1 454.311 4.994 20 0 JJADMO CCOC(=O)c1sc(NC(=O)C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)c(C(=O)OC(C)(C)C)c1C ZINC001459955775 1067506298 /nfs/dbraw/zinc/50/62/98/1067506298.db2.gz VGMBASDGXRCQEL-GOEBONIOSA-N 1 1 452.617 4.638 20 0 JJADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH2+][C@H](C)c1nc2ccccc2n1C(F)F ZINC001459955794 1067506326 /nfs/dbraw/zinc/50/63/26/1067506326.db2.gz VNXIFLLXABFBLX-CVEARBPZSA-N 1 1 452.509 4.912 20 0 JJADMO Cn1nc(C(C)(C)C)cc1NC(=O)C[NH2+][C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001459964271 1067509518 /nfs/dbraw/zinc/50/95/18/1067509518.db2.gz YCLOSMQHMWTKNJ-CQSZACIVSA-N 1 1 450.427 4.958 20 0 JJADMO Cn1nc(C(C)(C)C)cc1NC(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001459964269 1067509577 /nfs/dbraw/zinc/50/95/77/1067509577.db2.gz YCLOSMQHMWTKNJ-AWEZNQCLSA-N 1 1 450.427 4.958 20 0 JJADMO CC[C@@H](Cc1ccccc1Br)[N@@H+](C)CC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1 ZINC001459978261 1067513589 /nfs/dbraw/zinc/51/35/89/1067513589.db2.gz CVTZFERDLZWLPB-GBXCKJPGSA-N 1 1 459.428 4.978 20 0 JJADMO COc1ccc2c(c1)C[C@@H](C[N@H+](Cc1ccccc1)C[C@H](O)c1cccc(OC(F)F)c1)O2 ZINC001459978982 1067513969 /nfs/dbraw/zinc/51/39/69/1067513969.db2.gz CPSYWIXCDOHHTO-ZEQRLZLVSA-N 1 1 455.501 4.836 20 0 JJADMO CC[C@@H](Cc1ccccc1Br)[N@@H+](C)CCCS(=O)(=O)c1ccccc1OC ZINC001459979417 1067514426 /nfs/dbraw/zinc/51/44/26/1067514426.db2.gz IFZQHMRCJKROLW-SFHVURJKSA-N 1 1 454.430 4.575 20 0 JJADMO Cn1c2ccccc2nc1[C@@H]([NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC001459987691 1067516343 /nfs/dbraw/zinc/51/63/43/1067516343.db2.gz UBNSLKOAYAVJOX-XXBNENTESA-N 1 1 456.373 4.999 20 0 JJADMO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC001459990479 1067517655 /nfs/dbraw/zinc/51/76/55/1067517655.db2.gz MCPFOMACKFBPRR-OAHLLOKOSA-N 1 1 456.892 4.858 20 0 JJADMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccc(Br)cc1Cl ZINC001460001348 1067521909 /nfs/dbraw/zinc/52/19/09/1067521909.db2.gz VRXOJMPKWKLRKB-CQSZACIVSA-N 1 1 457.821 4.835 20 0 JJADMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccc(Br)cc1Cl ZINC001460001348 1067521917 /nfs/dbraw/zinc/52/19/17/1067521917.db2.gz VRXOJMPKWKLRKB-CQSZACIVSA-N 1 1 457.821 4.835 20 0 JJADMO CC(C)(C)OC(=O)C1(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C(C)(C)C1(C)C ZINC001546113179 1067522036 /nfs/dbraw/zinc/52/20/36/1067522036.db2.gz RHTMCHZALKUYEF-YPAWHYETSA-N 1 1 454.655 4.797 20 0 JJADMO Cc1c(Cl)cccc1N1CCCN(C(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC001460014806 1067527874 /nfs/dbraw/zinc/52/78/74/1067527874.db2.gz NQYJACNDCBLJLS-BGYRXZFFSA-N 1 1 456.030 4.610 20 0 JJADMO Cc1c(Cl)cccc1N1CCCN(C(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC001460014806 1067527881 /nfs/dbraw/zinc/52/78/81/1067527881.db2.gz NQYJACNDCBLJLS-BGYRXZFFSA-N 1 1 456.030 4.610 20 0 JJADMO COc1c(F)ccc(F)c1C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC001460015258 1067528273 /nfs/dbraw/zinc/52/82/73/1067528273.db2.gz PRVGHFZTUGXQHU-MRXNPFEDSA-N 1 1 450.835 4.982 20 0 JJADMO COc1c(F)ccc(F)c1C(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC001460015258 1067528282 /nfs/dbraw/zinc/52/82/82/1067528282.db2.gz PRVGHFZTUGXQHU-MRXNPFEDSA-N 1 1 450.835 4.982 20 0 JJADMO C[N@H+](CCC(F)(F)F)[C@H](CNC(=O)c1ccncc1N1CCCC1)c1ccc(Cl)cc1 ZINC001460017371 1067529147 /nfs/dbraw/zinc/52/91/47/1067529147.db2.gz WUXYXSONPUIAFD-LJQANCHMSA-N 1 1 454.924 4.691 20 0 JJADMO C[N@@H+](CCC(F)(F)F)[C@H](CNC(=O)c1ccncc1N1CCCC1)c1ccc(Cl)cc1 ZINC001460017371 1067529159 /nfs/dbraw/zinc/52/91/59/1067529159.db2.gz WUXYXSONPUIAFD-LJQANCHMSA-N 1 1 454.924 4.691 20 0 JJADMO Cc1ccc(NC(=O)NC(=O)C[NH+]2CCC(F)(c3ccccc3C(F)(F)F)CC2)cc1C ZINC001460020649 1067531117 /nfs/dbraw/zinc/53/11/17/1067531117.db2.gz SCHQIHYQFOBNBU-UHFFFAOYSA-N 1 1 451.464 4.931 20 0 JJADMO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)c1nc(C(F)(F)F)cs1 ZINC001460021941 1067531545 /nfs/dbraw/zinc/53/15/45/1067531545.db2.gz XMUHHUCJRVPRQX-WCBMZHEXSA-N 1 1 459.715 4.668 20 0 JJADMO C[C@H]1CN(c2cccc(C[N@@H+](C)Cc3cc(Cl)cc(Br)c3)c2)S(=O)(=O)C1 ZINC001460027442 1067533062 /nfs/dbraw/zinc/53/30/62/1067533062.db2.gz YJPYSARYYPIZOO-AWEZNQCLSA-N 1 1 457.821 4.520 20 0 JJADMO C[C@@H]1CN(c2cccc(C[N@@H+](C)Cc3cc(Cl)cc(Br)c3)c2)S(=O)(=O)C1 ZINC001460027445 1067533092 /nfs/dbraw/zinc/53/30/92/1067533092.db2.gz YJPYSARYYPIZOO-CQSZACIVSA-N 1 1 457.821 4.520 20 0 JJADMO C[C@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(Cl)cc1Cl ZINC001460033494 1067535030 /nfs/dbraw/zinc/53/50/30/1067535030.db2.gz JGDYSCRSQHNVEW-NSHDSACASA-N 1 1 458.271 4.882 20 0 JJADMO Cc1ccc(C)c(NC(=O)Cc2nc(C[NH2+]C3(c4ccc(F)cc4)CCOCC3)cs2)c1 ZINC001460047374 1067538810 /nfs/dbraw/zinc/53/88/10/1067538810.db2.gz RLXXFBRQFCMBNB-UHFFFAOYSA-N 1 1 453.583 4.876 20 0 JJADMO CC[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC001460053880 1067540078 /nfs/dbraw/zinc/54/00/78/1067540078.db2.gz JAELPRDWZWKNIO-KRWDZBQOSA-N 1 1 450.377 4.799 20 0 JJADMO COc1ccc(-c2csc(NC(=O)C[N@@H+]3CC[C@H](c4ccc(C)cc4C)C3)n2)c(OC)c1 ZINC001460056987 1067541009 /nfs/dbraw/zinc/54/10/09/1067541009.db2.gz SYOJTYJBRZXDJJ-SFHVURJKSA-N 1 1 451.592 4.872 20 0 JJADMO COc1ccc(-c2csc(NC(=O)C[N@H+]3CC[C@H](c4ccc(C)cc4C)C3)n2)c(OC)c1 ZINC001460056987 1067541019 /nfs/dbraw/zinc/54/10/19/1067541019.db2.gz SYOJTYJBRZXDJJ-SFHVURJKSA-N 1 1 451.592 4.872 20 0 JJADMO CCN(CC)C(=O)OC[C@H]1CCCC[N@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC001460066496 1067544126 /nfs/dbraw/zinc/54/41/26/1067544126.db2.gz HZJHNXOVYQQYMD-XMMPIXPASA-N 1 1 451.611 4.615 20 0 JJADMO CCN(CC)C(=O)OC[C@@H]1CCCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001460069438 1067545647 /nfs/dbraw/zinc/54/56/47/1067545647.db2.gz ZKKMJJDNPSJHJU-KBRMVUAJSA-N 1 1 451.652 4.888 20 0 JJADMO CC1CCN(C(=O)OC[C@@H]2CCCC[N@H+]2CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC001460076156 1067547708 /nfs/dbraw/zinc/54/77/08/1067547708.db2.gz SDORRIUSBWVRKU-SFHVURJKSA-N 1 1 455.521 4.757 20 0 JJADMO COc1ccc([C@H](CNC(=O)OC(C)(C)C)C[N@H+](C)Cc2nc(-c3cccs3)no2)cc1 ZINC001460078665 1067548026 /nfs/dbraw/zinc/54/80/26/1067548026.db2.gz HQMXOKHKRDNMHX-QGZVFWFLSA-N 1 1 458.584 4.547 20 0 JJADMO COc1ccc([C@H](CNC(=O)OC(C)(C)C)C[N@@H+](C)Cc2nc(-c3cccs3)no2)cc1 ZINC001460078665 1067548030 /nfs/dbraw/zinc/54/80/30/1067548030.db2.gz HQMXOKHKRDNMHX-QGZVFWFLSA-N 1 1 458.584 4.547 20 0 JJADMO COc1ccc([C@@H](CNC(=O)OC(C)(C)C)C[N@H+](C)Cc2nc(-c3cccs3)no2)cc1 ZINC001460078662 1067548151 /nfs/dbraw/zinc/54/81/51/1067548151.db2.gz HQMXOKHKRDNMHX-KRWDZBQOSA-N 1 1 458.584 4.547 20 0 JJADMO COc1ccc([C@@H](CNC(=O)OC(C)(C)C)C[N@@H+](C)Cc2nc(-c3cccs3)no2)cc1 ZINC001460078662 1067548159 /nfs/dbraw/zinc/54/81/59/1067548159.db2.gz HQMXOKHKRDNMHX-KRWDZBQOSA-N 1 1 458.584 4.547 20 0 JJADMO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC001460084781 1067550352 /nfs/dbraw/zinc/55/03/52/1067550352.db2.gz OCRWPQGOBAQIAM-MRXNPFEDSA-N 1 1 459.395 4.500 20 0 JJADMO COc1ccc(CN2CCCN(C(=O)C[N@@H+](CC(C)C)[C@@H](C)c3ccccc3C)CC2)cc1 ZINC001460087702 1067550632 /nfs/dbraw/zinc/55/06/32/1067550632.db2.gz BTSKNOPPBJLJJQ-DEOSSOPVSA-N 1 1 451.655 4.757 20 0 JJADMO COc1ccc(C(=O)Nc2cc(Br)ccc2N2CC[N@@H+](C)C[C@H]2C)c(Cl)c1 ZINC001460092693 1067552794 /nfs/dbraw/zinc/55/27/94/1067552794.db2.gz JEMDSPWTHQNVQR-CYBMUJFWSA-N 1 1 452.780 4.504 20 0 JJADMO CCCc1nc(C)c(C(=O)Nc2cc(Br)ccc2N2CC[N@@H+](C)C[C@H]2C)s1 ZINC001460095419 1067553045 /nfs/dbraw/zinc/55/30/45/1067553045.db2.gz VBFHWSALDIUVIN-CYBMUJFWSA-N 1 1 451.434 4.559 20 0 JJADMO C[C@@H]1CN(C(=O)c2cc(-c3cccc(Br)c3)no2)CC[N@@H+](Cc2ccccc2)C1 ZINC001460116471 1067558621 /nfs/dbraw/zinc/55/86/21/1067558621.db2.gz CGUFRWDMJQDWAD-KRWDZBQOSA-N 1 1 454.368 4.698 20 0 JJADMO COc1cccc(SCC[N@H+]2CC[C@H](Cc3cccc(I)c3)C2)c1 ZINC001460135382 1067562133 /nfs/dbraw/zinc/56/21/33/1067562133.db2.gz NGBFVMOPMVZIRM-QGZVFWFLSA-N 1 1 453.389 4.957 20 0 JJADMO CCOC(=O)c1c(NC(=O)[C@@H](c2ccccc2)[N@H+](CC)C[C@@H](C)OC)sc2c1CCCC2 ZINC001460137200 1067562343 /nfs/dbraw/zinc/56/23/43/1067562343.db2.gz GFLCURKXHBFSKJ-VGOFRKELSA-N 1 1 458.624 4.840 20 0 JJADMO CCOC(=O)c1c(NC(=O)[C@@H](c2ccccc2)[N@@H+](CC)C[C@@H](C)OC)sc2c1CCCC2 ZINC001460137200 1067562348 /nfs/dbraw/zinc/56/23/48/1067562348.db2.gz GFLCURKXHBFSKJ-VGOFRKELSA-N 1 1 458.624 4.840 20 0 JJADMO COc1cc(NC(=O)CC[N@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)cc(OC)c1OC ZINC001460145586 1067564414 /nfs/dbraw/zinc/56/44/14/1067564414.db2.gz OYTAONLEDZNEQF-SFHVURJKSA-N 1 1 450.988 4.561 20 0 JJADMO Cc1ccc(CN2CCCN(C(=O)C[NH2+][C@@](C)(Cc3ccc(Cl)cc3)C(C)C)CC2)cc1 ZINC001460149309 1067565352 /nfs/dbraw/zinc/56/53/52/1067565352.db2.gz IKLDTNPFSLSZNP-MHZLTWQESA-N 1 1 456.074 4.930 20 0 JJADMO OC[C@]1(c2ccccc2)CC[N@@H+](C[C@H](O)c2ccc(-c3ccc(Br)cc3)cc2)C1 ZINC001460154618 1067566499 /nfs/dbraw/zinc/56/64/99/1067566499.db2.gz XDTQFGVPFDMJQV-DQEYMECFSA-N 1 1 452.392 4.786 20 0 JJADMO CN(C(=O)C[N@@H+]1CCC[C@H]1COc1ccccc1)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC001460169752 1067569153 /nfs/dbraw/zinc/56/91/53/1067569153.db2.gz CZUOGYPQLAEJPX-FNZWTVRRSA-N 1 1 454.998 4.680 20 0 JJADMO CN(C(=O)C[N@H+]1CCC[C@H]1COc1ccccc1)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC001460169752 1067569161 /nfs/dbraw/zinc/56/91/61/1067569161.db2.gz CZUOGYPQLAEJPX-FNZWTVRRSA-N 1 1 454.998 4.680 20 0 JJADMO Cc1ccc(S(=O)(=O)N[C@@H](C[N@H+]2Cc3ccccc3OC(C)(C)C2)c2ccccc2)cc1 ZINC001460174413 1067570585 /nfs/dbraw/zinc/57/05/85/1067570585.db2.gz IXSNOTVKVNNRIB-DEOSSOPVSA-N 1 1 450.604 4.688 20 0 JJADMO CCC[C@@]1(CO)CC[N@H+](CC(=O)N(Cc2ccccc2)c2nc3c(ccc(C)c3C)s2)C1 ZINC001460185747 1067574316 /nfs/dbraw/zinc/57/43/16/1067574316.db2.gz OQFKUYCNDUHECX-AREMUKBSSA-N 1 1 451.636 4.931 20 0 JJADMO CCC[C@@]1(CO)CC[N@@H+](CC(=O)N(Cc2ccccc2)c2nc3c(ccc(C)c3C)s2)C1 ZINC001460185747 1067574321 /nfs/dbraw/zinc/57/43/21/1067574321.db2.gz OQFKUYCNDUHECX-AREMUKBSSA-N 1 1 451.636 4.931 20 0 JJADMO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC001460191936 1067575774 /nfs/dbraw/zinc/57/57/74/1067575774.db2.gz BDZUYZKGMIWCCK-CQSZACIVSA-N 1 1 454.771 4.781 20 0 JJADMO CC(C)C[N@@H+](CCCOc1c(Br)cccc1Br)Cc1cnn(C)c1 ZINC001460200762 1067577992 /nfs/dbraw/zinc/57/79/92/1067577992.db2.gz CGHHIBYMHUWPRL-UHFFFAOYSA-N 1 1 459.226 4.872 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)C1 ZINC001460207310 1067579331 /nfs/dbraw/zinc/57/93/31/1067579331.db2.gz DRTXLNFPAFVLNI-RBBKRZOGSA-N 1 1 459.631 4.928 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H](C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)C1 ZINC001460207310 1067579337 /nfs/dbraw/zinc/57/93/37/1067579337.db2.gz DRTXLNFPAFVLNI-RBBKRZOGSA-N 1 1 459.631 4.928 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCC[N@H+]2CC(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC001460215865 1067581382 /nfs/dbraw/zinc/58/13/82/1067581382.db2.gz RKOGKNGTNCMZNI-JXFKEZNVSA-N 1 1 453.986 4.919 20 0 JJADMO CN(C)c1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001460217157 1067581701 /nfs/dbraw/zinc/58/17/01/1067581701.db2.gz XPKPXNFCKAXOGO-NZQKXSOJSA-N 1 1 458.647 4.583 20 0 JJADMO COc1cccc(-c2nnc(C[N@H+]3CCCC[C@@H]3[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)o2)c1 ZINC001460217072 1067581769 /nfs/dbraw/zinc/58/17/69/1067581769.db2.gz WYFFXUTWSBSHNO-TZIWHRDSSA-N 1 1 456.587 4.747 20 0 JJADMO COC(=O)[C@H](N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccccc1Cl ZINC001460220737 1067583100 /nfs/dbraw/zinc/58/31/00/1067583100.db2.gz AEMABEDAORDGFH-ICDZXHCJSA-N 1 1 452.957 4.951 20 0 JJADMO CCCCCCc1ccc(-c2csc(NC(=O)[C@H](C)[N@@H+]3CC[C@@H](C(=O)N(C)C)C3)n2)cc1 ZINC001460237349 1067587426 /nfs/dbraw/zinc/58/74/26/1067587426.db2.gz LPGKDERWDZGESI-GHTZIAJQSA-N 1 1 456.656 4.670 20 0 JJADMO CCCCCCc1ccc(-c2csc(NC(=O)[C@H](C)[N@H+]3CC[C@@H](C(=O)N(C)C)C3)n2)cc1 ZINC001460237349 1067587430 /nfs/dbraw/zinc/58/74/30/1067587430.db2.gz LPGKDERWDZGESI-GHTZIAJQSA-N 1 1 456.656 4.670 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@H]1c1ccccc1F ZINC001460239098 1067588186 /nfs/dbraw/zinc/58/81/86/1067588186.db2.gz HKOBYQDRKGYFAS-PZJWPPBQSA-N 1 1 461.965 4.800 20 0 JJADMO C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460269813 1067594196 /nfs/dbraw/zinc/59/41/96/1067594196.db2.gz HBQPFRUQHKDEFF-KAQDMCDHSA-N 1 1 457.659 4.905 20 0 JJADMO C[C@@H]1C[C@@H](C)[N@@H+](CCc2cc(Cl)c3c(c2)OCCCO3)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460269625 1067594400 /nfs/dbraw/zinc/59/44/00/1067594400.db2.gz GJBMPBXBYPYULM-ZHALLVOQSA-N 1 1 453.023 4.915 20 0 JJADMO Brc1ccccc1C[C@@H]1CCC[N@H+]1CCCCCn1nnc(-c2ccccc2)n1 ZINC001460271269 1067595048 /nfs/dbraw/zinc/59/50/48/1067595048.db2.gz SDVXJNZHIASXHA-NRFANRHFSA-N 1 1 454.416 4.980 20 0 JJADMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[N@H+]1CCSC[C@@H]1C1CCC1 ZINC001460273447 1067595375 /nfs/dbraw/zinc/59/53/75/1067595375.db2.gz URSMUTJABWCBJH-YADARESESA-N 1 1 451.636 4.676 20 0 JJADMO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC001460273585 1067595411 /nfs/dbraw/zinc/59/54/11/1067595411.db2.gz YESHYSLEWOFJHS-MAUKXSAKSA-N 1 1 451.355 4.954 20 0 JJADMO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC001460273585 1067595417 /nfs/dbraw/zinc/59/54/17/1067595417.db2.gz YESHYSLEWOFJHS-MAUKXSAKSA-N 1 1 451.355 4.954 20 0 JJADMO COC(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C[C@H]1c1ccc(F)cc1F ZINC001460273430 1067595468 /nfs/dbraw/zinc/59/54/68/1067595468.db2.gz FAPYYZWQRXMGIR-BJKOFHAPSA-N 1 1 480.511 4.974 20 0 JJADMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[N@H+]1CCSC[C@@H]1C1CCC1 ZINC001460273445 1067595482 /nfs/dbraw/zinc/59/54/82/1067595482.db2.gz URSMUTJABWCBJH-NTKDMRAZSA-N 1 1 451.636 4.676 20 0 JJADMO COc1cc2ccccc2cc1-c1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)o1 ZINC001460279102 1067596680 /nfs/dbraw/zinc/59/66/80/1067596680.db2.gz HACZFRMVGMBHSN-WOJBJXKFSA-N 1 1 452.555 4.824 20 0 JJADMO O=C(C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1)NCc1ccc(F)cc1 ZINC001460301000 1067601809 /nfs/dbraw/zinc/60/18/09/1067601809.db2.gz KCHVBGWTLRCUAE-QHCPKHFHSA-N 1 1 459.565 4.997 20 0 JJADMO Cc1ccc(S(=O)(=O)N[C@@H](CC[N@H+]2CC[C@H](Oc3ccccc3)C2)c2ccccc2)cc1 ZINC001460300735 1067601872 /nfs/dbraw/zinc/60/18/72/1067601872.db2.gz YONVYCDMCWZGEG-AHWVRZQESA-N 1 1 450.604 4.558 20 0 JJADMO CC(C)N(C)c1ccc(NC(=O)CC[N@@H+](C(C)C)[C@H]2CCN(Cc3ccccc3)C2)cc1F ZINC001460302039 1067602434 /nfs/dbraw/zinc/60/24/34/1067602434.db2.gz WVFILKMRTMSREU-DEOSSOPVSA-N 1 1 454.634 4.984 20 0 JJADMO COc1cncc(/C=C\CC[N@@H+](Cc2ccccn2)C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001460303687 1067602706 /nfs/dbraw/zinc/60/27/06/1067602706.db2.gz GBCFBVHFLSISEL-TWGQIWQCSA-N 1 1 452.599 4.790 20 0 JJADMO CC(C)(C)[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1)c1cccs1 ZINC001460302933 1067602865 /nfs/dbraw/zinc/60/28/65/1067602865.db2.gz UNOPBZNRVYAJAZ-CYFREDJKSA-N 1 1 459.631 4.509 20 0 JJADMO CC(C)(C)[C@@H](NC(=O)C[N@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1)c1cccs1 ZINC001460302933 1067602869 /nfs/dbraw/zinc/60/28/69/1067602869.db2.gz UNOPBZNRVYAJAZ-CYFREDJKSA-N 1 1 459.631 4.509 20 0 JJADMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3F)C2=O)C[C@H]1c1ccccc1 ZINC001460302981 1067602918 /nfs/dbraw/zinc/60/29/18/1067602918.db2.gz VLGUFDOEAMZTNQ-JQVVWYNYSA-N 1 1 458.961 4.642 20 0 JJADMO CC(C)(C)OC(=O)[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(Cl)cc3F)C2=O)C[C@H]1c1ccccc1 ZINC001460302981 1067602922 /nfs/dbraw/zinc/60/29/22/1067602922.db2.gz VLGUFDOEAMZTNQ-JQVVWYNYSA-N 1 1 458.961 4.642 20 0 JJADMO CC[C@H]1[C@@H](C(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)CCN1C(=O)OC(C)(C)C ZINC001460309274 1067604592 /nfs/dbraw/zinc/60/45/92/1067604592.db2.gz WLXGAJKPIYQAIA-VXKWHMMOSA-N 1 1 450.583 4.618 20 0 JJADMO COC(=O)[C@@H]1C[N@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C[C@H]1c1ccc(Cl)cc1 ZINC001460311616 1067605137 /nfs/dbraw/zinc/60/51/37/1067605137.db2.gz AAFQEVHUMYTVTH-JBRSBNLGSA-N 1 1 454.998 4.576 20 0 JJADMO COC(=O)[C@@H]1C[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C[C@H]1c1ccc(Cl)cc1 ZINC001460311616 1067605141 /nfs/dbraw/zinc/60/51/41/1067605141.db2.gz AAFQEVHUMYTVTH-JBRSBNLGSA-N 1 1 454.998 4.576 20 0 JJADMO CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](CC(=O)Nc1cccc(Oc3ccccc3)c1)CC2 ZINC001460315358 1067605871 /nfs/dbraw/zinc/60/58/71/1067605871.db2.gz QTKPZSIQZKGRLF-UHFFFAOYSA-N 1 1 451.567 4.750 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCOc2ccc(F)cc2Cl)C1 ZINC001460317096 1067606457 /nfs/dbraw/zinc/60/64/57/1067606457.db2.gz JIPJYCDCNULWTC-SLYNCCJLSA-N 1 1 456.986 4.785 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCSc2ccc(F)cc2F)C1 ZINC001460319344 1067607365 /nfs/dbraw/zinc/60/73/65/1067607365.db2.gz VSUPHYVFYDPHCA-MISYRCLQSA-N 1 1 456.599 4.984 20 0 JJADMO Cc1ccc(C)c(-c2cc(NC(=O)CN3CC[N@H+](C)[C@@H](C(C)(C)C)C3)n(-c3ccccc3)n2)c1 ZINC001460326728 1067608737 /nfs/dbraw/zinc/60/87/37/1067608737.db2.gz CITSLGUVLKNUKB-RUZDIDTESA-N 1 1 459.638 4.757 20 0 JJADMO CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@@H]1CCN(c2ccccc2F)C1 ZINC001460327865 1067609485 /nfs/dbraw/zinc/60/94/85/1067609485.db2.gz YVWXQIXKLUKATP-RPBOFIJWSA-N 1 1 451.630 4.844 20 0 JJADMO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)NCCc2cccc(C(F)(F)F)n2)c1 ZINC001460333179 1067610446 /nfs/dbraw/zinc/61/04/46/1067610446.db2.gz OPYXWKQVSXSOBL-BJKOFHAPSA-N 1 1 467.535 4.983 20 0 JJADMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCC[C@@]2(C)Cc2cccc(Cl)c2)CC1 ZINC001460341961 1067612491 /nfs/dbraw/zinc/61/24/91/1067612491.db2.gz SXRCZOFUUFKPFZ-MHZLTWQESA-N 1 1 454.058 4.780 20 0 JJADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCC[C@@]2(C)Cc2cccc(Cl)c2)CC1 ZINC001460341961 1067612494 /nfs/dbraw/zinc/61/24/94/1067612494.db2.gz SXRCZOFUUFKPFZ-MHZLTWQESA-N 1 1 454.058 4.780 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCSc3ccc(F)cc3F)C2)C1 ZINC001460366878 1067619482 /nfs/dbraw/zinc/61/94/82/1067619482.db2.gz MPAJIZHOILJCKR-POAQFYNOSA-N 1 1 456.599 4.841 20 0 JJADMO O=C(N[C@H]1C[N@H+](CC2(O)CCC(c3ccccc3)CC2)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC001460391536 1067624921 /nfs/dbraw/zinc/62/49/21/1067624921.db2.gz OEWIQCMCPLGATB-MTNWZPEHSA-N 1 1 478.530 4.751 20 0 JJADMO O=C(N[C@H]1C[N@@H+](CC2(O)CCC(c3ccccc3)CC2)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC001460391536 1067624924 /nfs/dbraw/zinc/62/49/24/1067624924.db2.gz OEWIQCMCPLGATB-MTNWZPEHSA-N 1 1 478.530 4.751 20 0 JJADMO C[C@@H]1CN(c2ccc(NC(=O)C[N@H+]3CCC[C@@]3(C)Cc3ccccc3Cl)cc2)C[C@H](C)O1 ZINC001460404162 1067627696 /nfs/dbraw/zinc/62/76/96/1067627696.db2.gz NEGRECBEWPAIFM-UNVFRBQDSA-N 1 1 456.030 4.989 20 0 JJADMO CC(C)(C)OC(=O)N1CCC([C@H]2CCC[N@@H+](Cc3nc(CCc4ccccc4)no3)C2)CC1 ZINC001460406033 1067628174 /nfs/dbraw/zinc/62/81/74/1067628174.db2.gz BBCDHOWXUYSKBS-QFIPXVFZSA-N 1 1 454.615 4.714 20 0 JJADMO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC001460408793 1067629162 /nfs/dbraw/zinc/62/91/62/1067629162.db2.gz XDCQOVMBWOKVOW-RBBKRZOGSA-N 1 1 459.428 4.883 20 0 JJADMO CC[C@@]1(Cc2ccccc2)CCC[N@H+]1CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC001460413813 1067630728 /nfs/dbraw/zinc/63/07/28/1067630728.db2.gz XUEUCYGIYROPEX-QPPBQGQZSA-N 1 1 459.512 4.780 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H](CC[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)C1 ZINC001460421239 1067632273 /nfs/dbraw/zinc/63/22/73/1067632273.db2.gz WKMCHPMYJYZNDJ-DAYGRLMNSA-N 1 1 480.285 4.852 20 0 JJADMO CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001460439939 1067635371 /nfs/dbraw/zinc/63/53/71/1067635371.db2.gz IUQZUJDNAXUQAE-HSZRJFAPSA-N 1 1 459.631 4.613 20 0 JJADMO O=C(N1CCC[C@@H](C2CC[NH+](Cc3ccn(-c4ccc(Cl)cc4)n3)CC2)C1)C(F)(F)F ZINC001460444943 1067636150 /nfs/dbraw/zinc/63/61/50/1067636150.db2.gz JCKWEKGNSCBZAU-QGZVFWFLSA-N 1 1 454.924 4.539 20 0 JJADMO O=C(C[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC001460455916 1067637573 /nfs/dbraw/zinc/63/75/73/1067637573.db2.gz NYYJGRXSQUVOBU-DNVCBOLYSA-N 1 1 469.435 4.551 20 0 JJADMO C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccccc2Br)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001460454286 1067637604 /nfs/dbraw/zinc/63/76/04/1067637604.db2.gz MBBMYEPWBHTMPZ-AHRSYUTCSA-N 1 1 455.437 4.888 20 0 JJADMO Cc1ccc(-c2csc(NC(=O)C[NH2+][C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)n2)cc1C ZINC001460461523 1067638548 /nfs/dbraw/zinc/63/85/48/1067638548.db2.gz XPUCWOONISETOP-DYESRHJHSA-N 1 1 461.509 4.890 20 0 JJADMO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(Cc3ccc(Cl)c(Br)c3)C2)ccn1 ZINC001460512680 1067647128 /nfs/dbraw/zinc/64/71/28/1067647128.db2.gz VOJIZTAJIHLXBH-LJQANCHMSA-N 1 1 452.824 4.991 20 0 JJADMO CC[N@H+](CC(=O)Nc1nc(-c2ccccc2)c(C(C)C)s1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001460532604 1067652175 /nfs/dbraw/zinc/65/21/75/1067652175.db2.gz DQFKZGLIMIMQAS-QGZVFWFLSA-N 1 1 454.562 4.831 20 0 JJADMO CC[N@@H+](CC(=O)Nc1nc(-c2ccccc2)c(C(C)C)s1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001460532604 1067652182 /nfs/dbraw/zinc/65/21/82/1067652182.db2.gz DQFKZGLIMIMQAS-QGZVFWFLSA-N 1 1 454.562 4.831 20 0 JJADMO CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)[C@H]1CCN(CC(F)(F)F)C1 ZINC001460538517 1067653132 /nfs/dbraw/zinc/65/31/32/1067653132.db2.gz NIXSDIVLIZXMDG-YJBOKZPZSA-N 1 1 452.348 4.615 20 0 JJADMO Cc1cccc(C[C@]2(C)CCC[N@H+]2CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)c1 ZINC001460563721 1067656383 /nfs/dbraw/zinc/65/63/83/1067656383.db2.gz ZHQSTQHKTUIJCX-QPPBQGQZSA-N 1 1 459.512 4.698 20 0 JJADMO O=C(C[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1)Nc1ccccc1C(=O)c1ccccc1 ZINC001460570736 1067658100 /nfs/dbraw/zinc/65/81/00/1067658100.db2.gz OADMRVRJWDEGKX-OAQYLSRUSA-N 1 1 457.357 4.876 20 0 JJADMO C[N@@H+](CCCN1c2ccccc2Sc2ccccc21)CC(=O)NC(=O)NC1CCCCC1 ZINC001460574301 1067659188 /nfs/dbraw/zinc/65/91/88/1067659188.db2.gz VWKOLDRNAYRYGR-UHFFFAOYSA-N 1 1 452.624 4.770 20 0 JJADMO Brc1scnc1CN1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001460599119 1067666428 /nfs/dbraw/zinc/66/64/28/1067666428.db2.gz BRRBZWBSUMBECH-UHFFFAOYSA-N 1 1 458.425 4.802 20 0 JJADMO O=C(C[NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC001460626455 1067676759 /nfs/dbraw/zinc/67/67/59/1067676759.db2.gz MYCGZJNPUFPPDY-SFHVURJKSA-N 1 1 458.946 4.736 20 0 JJADMO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC001460651648 1067687096 /nfs/dbraw/zinc/68/70/96/1067687096.db2.gz JJVXVSWHKWAPRQ-QZTJIDSGSA-N 1 1 458.649 4.832 20 0 JJADMO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC001460651648 1067687107 /nfs/dbraw/zinc/68/71/07/1067687107.db2.gz JJVXVSWHKWAPRQ-QZTJIDSGSA-N 1 1 458.649 4.832 20 0 JJADMO O=C(C[N@@H+]1CCC[C@H](OC2CCC2)CC1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC001460650968 1067687121 /nfs/dbraw/zinc/68/71/21/1067687121.db2.gz NSALAWFAHGWLML-NRFANRHFSA-N 1 1 455.986 4.954 20 0 JJADMO O=C(C[N@H+]1CCC[C@H](OC2CCC2)CC1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC001460650968 1067687129 /nfs/dbraw/zinc/68/71/29/1067687129.db2.gz NSALAWFAHGWLML-NRFANRHFSA-N 1 1 455.986 4.954 20 0 JJADMO O=C(C[N@@H+]1CCC[C@@H](OC2CCC2)CC1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC001460650971 1067687306 /nfs/dbraw/zinc/68/73/06/1067687306.db2.gz NSALAWFAHGWLML-OAQYLSRUSA-N 1 1 455.986 4.954 20 0 JJADMO O=C(C[N@H+]1CCC[C@@H](OC2CCC2)CC1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC001460650971 1067687314 /nfs/dbraw/zinc/68/73/14/1067687314.db2.gz NSALAWFAHGWLML-OAQYLSRUSA-N 1 1 455.986 4.954 20 0 JJADMO Cc1ccc(S(=O)(=O)N[C@H](CC[N@H+]2CCC[C@@H](OC3CCC3)CC2)c2ccccc2)cc1 ZINC001460654458 1067688877 /nfs/dbraw/zinc/68/88/77/1067688877.db2.gz VXOSNNRQKNUDDV-AOYPEHQESA-N 1 1 456.652 4.828 20 0 JJADMO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[NH2+][C@@H](CF)c2ccc(F)cc2)cc1 ZINC001460660774 1067691844 /nfs/dbraw/zinc/69/18/44/1067691844.db2.gz ZMSXTRBJTQLKBZ-QFIPXVFZSA-N 1 1 453.489 4.716 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H](CC[N@H+]2CCC[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)C1 ZINC001460663915 1067692583 /nfs/dbraw/zinc/69/25/83/1067692583.db2.gz GQYSEZGLZQAOII-NJDAHSKKSA-N 1 1 451.652 4.745 20 0 JJADMO CCn1nc(C(F)(F)F)c(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1C(F)F ZINC001460680009 1067699213 /nfs/dbraw/zinc/69/92/13/1067699213.db2.gz ITFWYYNVSHPARH-INIZCTEOSA-N 1 1 458.475 4.892 20 0 JJADMO O=S(=O)(c1ccc(C[NH2+]C2(c3cc(Cl)cc(Br)c3)CC2)cc1)C(F)F ZINC001460700862 1067704361 /nfs/dbraw/zinc/70/43/61/1067704361.db2.gz GMMRGISUCIXQDM-UHFFFAOYSA-N 1 1 450.732 4.878 20 0 JJADMO CCc1ccc(C[NH+]2CCN(C[C@@](C)(O)c3ccc(Br)cc3Cl)CC2)cc1 ZINC001460703219 1067704782 /nfs/dbraw/zinc/70/47/82/1067704782.db2.gz WXJKJAYVHXXNHU-JOCHJYFZSA-N 1 1 451.836 4.690 20 0 JJADMO COC(=O)c1scc(C)c1NC(=O)[C@@H](C)[N@@H+](Cc1ccc(SC)c(OC)c1)C(C)C ZINC001460713443 1067706804 /nfs/dbraw/zinc/70/68/04/1067706804.db2.gz OSHGDCAAPCYEME-OAHLLOKOSA-N 1 1 450.626 4.811 20 0 JJADMO CC1(C)[C@H](c2ccc(F)c(F)c2)CC[N@@H+]1CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC001460715196 1067707760 /nfs/dbraw/zinc/70/77/60/1067707760.db2.gz AYBIPXBDLAMJFL-FQEVSTJZSA-N 1 1 455.549 4.844 20 0 JJADMO CC1(C)[C@H](c2ccc(F)c(F)c2)CC[N@H+]1CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC001460715196 1067707769 /nfs/dbraw/zinc/70/77/69/1067707769.db2.gz AYBIPXBDLAMJFL-FQEVSTJZSA-N 1 1 455.549 4.844 20 0 JJADMO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001460719440 1067708728 /nfs/dbraw/zinc/70/87/28/1067708728.db2.gz OGUHHLWQVOORJF-SANMLTNESA-N 1 1 459.638 4.723 20 0 JJADMO C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001460740207 1067712936 /nfs/dbraw/zinc/71/29/36/1067712936.db2.gz YYDRJVGYAOLNJH-KKSFZXQISA-N 1 1 453.539 4.620 20 0 JJADMO C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001460740207 1067712944 /nfs/dbraw/zinc/71/29/44/1067712944.db2.gz YYDRJVGYAOLNJH-KKSFZXQISA-N 1 1 453.539 4.620 20 0 JJADMO CCOC(=O)c1c2c(sc1NC(=O)CN(C)C[C@H](C)C(C)(C)C)C(C)(C)[NH2+]C(C)(C)C2 ZINC001460742183 1067713464 /nfs/dbraw/zinc/71/34/64/1067713464.db2.gz BNIBFNDUFDVIAC-HNNXBMFYSA-N 1 1 451.677 4.637 20 0 JJADMO Cc1cc2oc(=O)cc(C[N@H+]3C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C3)c2cc1C ZINC001460750874 1067715985 /nfs/dbraw/zinc/71/59/85/1067715985.db2.gz XNBLIIBUTMSTPN-AEFFLSMTSA-N 1 1 454.489 4.545 20 0 JJADMO Cc1cc2oc(=O)cc(C[N@H+]3C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C3)c2cc1C ZINC001460750881 1067716171 /nfs/dbraw/zinc/71/61/71/1067716171.db2.gz XNBLIIBUTMSTPN-SJLPKXTDSA-N 1 1 454.489 4.545 20 0 JJADMO CC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001460752417 1067716560 /nfs/dbraw/zinc/71/65/60/1067716560.db2.gz DKWMODVKYLIEPV-OTYNDTSQSA-N 1 1 451.652 4.886 20 0 JJADMO CC(C)(C)C[C@H](NC(=O)C[N@@H+]1Cc2ccccc2OC2(CCOCC2)C1)c1ccc(F)cc1 ZINC001460757369 1067717741 /nfs/dbraw/zinc/71/77/41/1067717741.db2.gz FGBSMSQHAKYBDI-QHCPKHFHSA-N 1 1 454.586 4.863 20 0 JJADMO CC(C)(C)C[C@H](NC(=O)C[N@H+]1Cc2ccccc2OC2(CCOCC2)C1)c1ccc(F)cc1 ZINC001460757369 1067717749 /nfs/dbraw/zinc/71/77/49/1067717749.db2.gz FGBSMSQHAKYBDI-QHCPKHFHSA-N 1 1 454.586 4.863 20 0 JJADMO Cc1cc(Cl)c(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1Br ZINC001460780644 1067722485 /nfs/dbraw/zinc/72/24/85/1067722485.db2.gz DZICGSISHGPRER-CVEARBPZSA-N 1 1 453.812 4.597 20 0 JJADMO COCC[N@H+](CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)Cc1ccc(C)c(C)c1 ZINC001460793821 1067724393 /nfs/dbraw/zinc/72/43/93/1067724393.db2.gz WNUKUENIRXIEDY-UHFFFAOYSA-N 1 1 451.592 4.704 20 0 JJADMO COCC[N@@H+](CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)Cc1ccc(C)c(C)c1 ZINC001460793821 1067724402 /nfs/dbraw/zinc/72/44/02/1067724402.db2.gz WNUKUENIRXIEDY-UHFFFAOYSA-N 1 1 451.592 4.704 20 0 JJADMO CC(C)(C)OC(=O)N1C[C@H](C[C@@H]2COCC[N@@H+]2CCSc2ccncc2)c2ccccc21 ZINC001460836054 1067731894 /nfs/dbraw/zinc/73/18/94/1067731894.db2.gz VEFMASRQHVIACL-VQTJNVASSA-N 1 1 455.624 4.804 20 0 JJADMO CC(C)(C)OC(=O)N1C[C@H](C[C@@H]2COCC[N@H+]2CCSc2ccncc2)c2ccccc21 ZINC001460836054 1067731903 /nfs/dbraw/zinc/73/19/03/1067731903.db2.gz VEFMASRQHVIACL-VQTJNVASSA-N 1 1 455.624 4.804 20 0 JJADMO CC(C)(C)OC(=O)N1C[C@@H](C[C@@H]2COCC[N@@H+]2CCSc2ccncc2)c2ccccc21 ZINC001460836063 1067732048 /nfs/dbraw/zinc/73/20/48/1067732048.db2.gz VEFMASRQHVIACL-WOJBJXKFSA-N 1 1 455.624 4.804 20 0 JJADMO CC(C)(C)OC(=O)N1C[C@@H](C[C@@H]2COCC[N@H+]2CCSc2ccncc2)c2ccccc21 ZINC001460836063 1067732056 /nfs/dbraw/zinc/73/20/56/1067732056.db2.gz VEFMASRQHVIACL-WOJBJXKFSA-N 1 1 455.624 4.804 20 0 JJADMO Cc1cc2oc(=O)cc(C[N@@H+](C)C3(CNC(=O)OC(C)(C)C)CCOCC3)c2cc1C(C)C ZINC001460853106 1067734651 /nfs/dbraw/zinc/73/46/51/1067734651.db2.gz MVFNWPJKTPPZOA-UHFFFAOYSA-N 1 1 458.599 4.731 20 0 JJADMO CC(C)(C)OC(=O)NCC1([C@H]2CCCC[N@H+]2Cc2cccc(CN3CCOCC3)c2)CCC1 ZINC001460851435 1067734787 /nfs/dbraw/zinc/73/47/87/1067734787.db2.gz VEAZFDXEWCTNPT-XMMPIXPASA-N 1 1 457.659 4.568 20 0 JJADMO Cc1noc(C[C@@H]2CCC[N@@H+](C[C@H](O)c3ccc(-c4ccc(Br)cc4)cc3)C2)n1 ZINC001460857082 1067735587 /nfs/dbraw/zinc/73/55/87/1067735587.db2.gz MBVZJRNNSAKGNY-JTSKRJEESA-N 1 1 456.384 4.796 20 0 JJADMO COC(=O)c1csc(C[N@H+]2CCC[C@]2(C)Cc2ccc(I)cc2)c1 ZINC001460869677 1067738751 /nfs/dbraw/zinc/73/87/51/1067738751.db2.gz IINFYKNREQNHOC-LJQANCHMSA-N 1 1 455.361 4.737 20 0 JJADMO CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@@H+](CC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC001460871516 1067739460 /nfs/dbraw/zinc/73/94/60/1067739460.db2.gz PEXXLDXAUULOTN-OPAMFIHVSA-N 1 1 458.521 4.596 20 0 JJADMO O=C(NC1CC[NH+](Cc2cccc(Br)c2)CC1)C(F)(F)c1ccc(Cl)cc1 ZINC001460873596 1067739498 /nfs/dbraw/zinc/73/94/98/1067739498.db2.gz RLXYBVLXYXVZHW-UHFFFAOYSA-N 1 1 457.746 4.975 20 0 JJADMO CC(C)(C)OC(=O)N1CC(OC2CC[NH+](Cc3cc(F)c(C(F)(F)F)cc3F)CC2)C1 ZINC001460874264 1067740157 /nfs/dbraw/zinc/74/01/57/1067740157.db2.gz FWMGMMBVLXSLRF-UHFFFAOYSA-N 1 1 450.448 4.584 20 0 JJADMO Cc1nc(C(C)(C)C)sc1C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC001460873635 1067740185 /nfs/dbraw/zinc/74/01/85/1067740185.db2.gz RUZVGHVGMDWXIX-UHFFFAOYSA-N 1 1 450.446 4.906 20 0 JJADMO Cc1ccc(S(=O)(=O)c2ccc(C[N@@H+]3CC[C@H](CCNC(=O)OC(C)(C)C)C3)cc2)cc1 ZINC001460881994 1067741922 /nfs/dbraw/zinc/74/19/22/1067741922.db2.gz OQUCIKIFSXAPKQ-NRFANRHFSA-N 1 1 458.624 4.565 20 0 JJADMO Cc1ccc(S(=O)(=O)c2ccc(C[N@H+]3CC[C@H](CCNC(=O)OC(C)(C)C)C3)cc2)cc1 ZINC001460881994 1067741929 /nfs/dbraw/zinc/74/19/29/1067741929.db2.gz OQUCIKIFSXAPKQ-NRFANRHFSA-N 1 1 458.624 4.565 20 0 JJADMO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001460889362 1067743768 /nfs/dbraw/zinc/74/37/68/1067743768.db2.gz KXUOFTWDUTXFJN-HZPDHXFCSA-N 1 1 451.792 4.603 20 0 JJADMO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001460889362 1067743774 /nfs/dbraw/zinc/74/37/74/1067743774.db2.gz KXUOFTWDUTXFJN-HZPDHXFCSA-N 1 1 451.792 4.603 20 0 JJADMO C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1)c1ccc2ccccc2c1 ZINC001460889572 1067743813 /nfs/dbraw/zinc/74/38/13/1067743813.db2.gz SZTUEISYUOOTHT-TWXAQOBRSA-N 1 1 451.611 4.594 20 0 JJADMO Cc1ccc(-c2csc(NC(=O)[C@@H](C)[N@@H+]3C[C@H]4CCN(C(=O)OC(C)(C)C)C[C@H]4C3)n2)cc1 ZINC001460890760 1067744444 /nfs/dbraw/zinc/74/44/44/1067744444.db2.gz XZQZHMYOLYFIED-RLLQIKCJSA-N 1 1 470.639 4.634 20 0 JJADMO Cc1ccc(-c2csc(NC(=O)[C@@H](C)[N@H+]3C[C@H]4CCN(C(=O)OC(C)(C)C)C[C@H]4C3)n2)cc1 ZINC001460890760 1067744450 /nfs/dbraw/zinc/74/44/50/1067744450.db2.gz XZQZHMYOLYFIED-RLLQIKCJSA-N 1 1 470.639 4.634 20 0 JJADMO CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001460892413 1067744713 /nfs/dbraw/zinc/74/47/13/1067744713.db2.gz XGHDLISIJOQMHP-QGZVFWFLSA-N 1 1 450.583 4.660 20 0 JJADMO CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001460892413 1067744718 /nfs/dbraw/zinc/74/47/18/1067744718.db2.gz XGHDLISIJOQMHP-QGZVFWFLSA-N 1 1 450.583 4.660 20 0 JJADMO C[C@H]1CN(C(=O)COc2ccc3ccccc3c2Br)CC[N@@H+]1Cc1ccccc1 ZINC001460891884 1067744856 /nfs/dbraw/zinc/74/48/56/1067744856.db2.gz SOYZEVPSYNCCAK-SFHVURJKSA-N 1 1 453.380 4.714 20 0 JJADMO C[C@H]1CN(C(=O)COc2ccc3ccccc3c2Br)CC[N@H+]1Cc1ccccc1 ZINC001460891884 1067744862 /nfs/dbraw/zinc/74/48/62/1067744862.db2.gz SOYZEVPSYNCCAK-SFHVURJKSA-N 1 1 453.380 4.714 20 0 JJADMO CCN(CC)S(=O)(=O)c1ccc2[nH]c(C[NH+]3CCC(c4cc(C)ccc4C)CC3)nc2c1 ZINC001460899834 1067745472 /nfs/dbraw/zinc/74/54/72/1067745472.db2.gz WDCPEBOPAQTRDC-UHFFFAOYSA-N 1 1 454.640 4.590 20 0 JJADMO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@@H+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)[C@H]1C ZINC001460936878 1067750967 /nfs/dbraw/zinc/75/09/67/1067750967.db2.gz HTWIYIBXTSPYQT-FDUPRNSESA-N 1 1 454.636 4.520 20 0 JJADMO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@H+](CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)[C@H]1C ZINC001460939737 1067751126 /nfs/dbraw/zinc/75/11/26/1067751126.db2.gz OAVHCKGJHTXVEQ-CROMWVBPSA-N 1 1 457.640 4.972 20 0 JJADMO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@@H+](CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)[C@H]1C ZINC001460939737 1067751131 /nfs/dbraw/zinc/75/11/31/1067751131.db2.gz OAVHCKGJHTXVEQ-CROMWVBPSA-N 1 1 457.640 4.972 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001460948325 1067752429 /nfs/dbraw/zinc/75/24/29/1067752429.db2.gz NFUARTIUZCWJPO-CJFMBICVSA-N 1 1 451.652 4.889 20 0 JJADMO Cn1ccnc1COc1ccc(C[N@H+]2CCCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001460952264 1067752717 /nfs/dbraw/zinc/75/27/17/1067752717.db2.gz UIMVQDSBVTUMPP-AREMUKBSSA-N 1 1 454.615 4.755 20 0 JJADMO CC[N@@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460953657 1067753166 /nfs/dbraw/zinc/75/31/66/1067753166.db2.gz ZDJVEWAWKIADHP-OAHLLOKOSA-N 1 1 458.430 4.892 20 0 JJADMO C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@H+](C)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001460967804 1067754261 /nfs/dbraw/zinc/75/42/61/1067754261.db2.gz ZPYSNQLOQALGKK-LCSDZXHASA-N 1 1 453.370 4.902 20 0 JJADMO C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@@H+](C)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001460967804 1067754267 /nfs/dbraw/zinc/75/42/67/1067754267.db2.gz ZPYSNQLOQALGKK-LCSDZXHASA-N 1 1 453.370 4.902 20 0 JJADMO CC(C)(C)OC(=O)NC[C@]12C[N@@H+](CCOc3ccccc3Br)C[C@@H]1CCCC2 ZINC001460969501 1067754547 /nfs/dbraw/zinc/75/45/47/1067754547.db2.gz CYWXAMMFCIAHPN-HTAPYJJXSA-N 1 1 453.421 4.845 20 0 JJADMO CC(C)(C)OC(=O)NC[C@]12C[N@@H+](CC(=O)Nc3ccc(Cl)c(Cl)c3)C[C@H]1CCCC2 ZINC001460970049 1067754581 /nfs/dbraw/zinc/75/45/81/1067754581.db2.gz GOKZMVCGFOAKRL-IVZQSRNASA-N 1 1 456.414 4.949 20 0 JJADMO C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@H+](C)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001460978961 1067756035 /nfs/dbraw/zinc/75/60/35/1067756035.db2.gz YOADOSYAFPTWTI-HVOFVXBASA-N 1 1 453.370 4.902 20 0 JJADMO C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@@H+](C)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001460978961 1067756039 /nfs/dbraw/zinc/75/60/39/1067756039.db2.gz YOADOSYAFPTWTI-HVOFVXBASA-N 1 1 453.370 4.902 20 0 JJADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(Br)c2cc(C)oc21 ZINC001460982389 1067756474 /nfs/dbraw/zinc/75/64/74/1067756474.db2.gz LCINRUAAWBBOOK-XMSQKQJNSA-N 1 1 471.395 4.771 20 0 JJADMO CCN(C(=O)OC(C)(C)C)C1CC[NH+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001460984905 1067757239 /nfs/dbraw/zinc/75/72/39/1067757239.db2.gz IYGBMJJINFOODL-UHFFFAOYSA-N 1 1 458.430 4.673 20 0 JJADMO CC[N@@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460989525 1067758349 /nfs/dbraw/zinc/75/83/49/1067758349.db2.gz WWIDBGXIGHBQJW-WBVHZDCISA-N 1 1 458.430 4.892 20 0 JJADMO CC[NH+](CC)Cc1cccc(CNCc2cc(Br)cc(Br)c2N)c1 ZINC001461054098 1067771031 /nfs/dbraw/zinc/77/10/31/1067771031.db2.gz UOBAAEXKIWBJPM-UHFFFAOYSA-N 1 1 455.238 4.925 20 0 JJADMO CCC1(CC)CN(c2nnc(COc3ccc(F)cc3)n2CC[N@@H+](C)C2CCCC2)CCS1 ZINC001546121330 1067775714 /nfs/dbraw/zinc/77/57/14/1067775714.db2.gz UASLKFVGZHINSB-UHFFFAOYSA-N 1 1 475.678 4.983 20 0 JJADMO COc1ccc(Cn2cc(C[NH2+][C@H](C)c3ccc(NC(=O)c4ccc(F)cc4)cc3)nn2)cc1 ZINC001461087251 1067779191 /nfs/dbraw/zinc/77/91/91/1067779191.db2.gz QWOSNOPFRPICDC-GOSISDBHSA-N 1 1 459.525 4.577 20 0 JJADMO C[C@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)c1ccc(OCC(F)(F)F)cc1 ZINC001461092726 1067780524 /nfs/dbraw/zinc/78/05/24/1067780524.db2.gz LGKRJTKFTDOEIW-ZDUSSCGKSA-N 1 1 455.278 4.822 20 0 JJADMO Cc1nn(-c2ccccc2Br)cc1CNC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001461122693 1067785636 /nfs/dbraw/zinc/78/56/36/1067785636.db2.gz ULMVIBSSBICBFS-OAQYLSRUSA-N 1 1 453.428 4.945 20 0 JJADMO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC001461122693 1067785659 /nfs/dbraw/zinc/78/56/59/1067785659.db2.gz ULMVIBSSBICBFS-OAQYLSRUSA-N 1 1 453.428 4.945 20 0 JJADMO Cc1ccc(-c2ncc(C[NH2+]Cc3ccccc3S(=O)(=O)N3CCCCC3)s2)cc1C ZINC001461177963 1067793492 /nfs/dbraw/zinc/79/34/92/1067793492.db2.gz AGVOPQFJAVOSSL-UHFFFAOYSA-N 1 1 455.649 4.891 20 0 JJADMO COc1ccc([C@H]([NH2+]Cc2c3c(nn2C)CCSC3)c2ccccc2)cc1Br ZINC001461190369 1067795975 /nfs/dbraw/zinc/79/59/75/1067795975.db2.gz QENCFDHICQBEDK-JOCHJYFZSA-N 1 1 458.425 4.860 20 0 JJADMO C[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001461194838 1067797128 /nfs/dbraw/zinc/79/71/28/1067797128.db2.gz WIWRBIVNCDCZRM-FUBOCBINSA-N 1 1 497.705 4.867 20 0 JJADMO CC(=O)N(c1nc(C[NH2+]CCc2ccn(-c3ccc(F)cc3)n2)cs1)c1ccc(F)cc1 ZINC001461243224 1067807811 /nfs/dbraw/zinc/80/78/11/1067807811.db2.gz AMPYRXMCDCEUAQ-UHFFFAOYSA-N 1 1 453.518 4.624 20 0 JJADMO COCCOc1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461256646 1067811499 /nfs/dbraw/zinc/81/14/99/1067811499.db2.gz METYRIPVISNEJU-XMMPIXPASA-N 1 1 459.995 4.648 20 0 JJADMO C[C@@H]1C[C@@H](NCc2c(F)ccc(I)c2F)CC[N@H+]1Cc1ccccc1 ZINC001461262417 1067813534 /nfs/dbraw/zinc/81/35/34/1067813534.db2.gz GZUUZYHNIHAHJJ-ZBFHGGJFSA-N 1 1 456.318 4.712 20 0 JJADMO CC(=O)N(c1nc(CNc2cccc([C@@H](C)[NH+]3CCOCC3)c2)cs1)c1ccc(F)cc1 ZINC001461292287 1067820305 /nfs/dbraw/zinc/82/03/05/1067820305.db2.gz ZAWOEFUUCJUADM-QGZVFWFLSA-N 1 1 454.571 4.972 20 0 JJADMO CSc1nc(-c2ccco2)nc(C)c1C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC001461298902 1067821986 /nfs/dbraw/zinc/82/19/86/1067821986.db2.gz GPOZPWLIIMTOLS-UHOSZYNNSA-N 1 1 450.608 4.890 20 0 JJADMO COC(=O)[C@@]1(NC(=O)[C@@H](CC(C)C)c2ccc(Cl)cc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001461308348 1067825110 /nfs/dbraw/zinc/82/51/10/1067825110.db2.gz XFKJWNIJKSKHET-JYFHCDHNSA-N 1 1 457.014 4.794 20 0 JJADMO O=C(N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21)C(F)(F)c1cc(Cl)ccc1Cl ZINC001461326400 1067829068 /nfs/dbraw/zinc/82/90/68/1067829068.db2.gz AGVFAPBRFLQQTN-UXHICEINSA-N 1 1 455.332 4.587 20 0 JJADMO CCC(CC)(COCc1ccccc1)C(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001461327302 1067829726 /nfs/dbraw/zinc/82/97/26/1067829726.db2.gz DUZPZKKMSIDFRY-FTJBHMTQSA-N 1 1 450.623 4.512 20 0 JJADMO Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2CNCc2ccnc(OCC[NH+](C)C)c2)c1 ZINC001461408107 1067848576 /nfs/dbraw/zinc/84/85/76/1067848576.db2.gz QKKZJVYBSXAOGK-UHFFFAOYSA-N 1 1 459.569 4.612 20 0 JJADMO O=S(=O)(CC[NH2+]Cc1sc(Sc2ccccc2)nc1Cl)CCc1ccccc1 ZINC001461457713 1067860695 /nfs/dbraw/zinc/86/06/95/1067860695.db2.gz GEXGSDNPGAXTDR-UHFFFAOYSA-N 1 1 453.054 4.695 20 0 JJADMO CCSc1cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)ccn1 ZINC001461457522 1067861235 /nfs/dbraw/zinc/86/12/35/1067861235.db2.gz QVGPJKHNAHWNDT-UHFFFAOYSA-N 1 1 456.439 4.501 20 0 JJADMO COc1ccc(C[NH2+]Cc2ccc(Cl)cc2I)c(OC(F)F)c1 ZINC001461463383 1067862614 /nfs/dbraw/zinc/86/26/14/1067862614.db2.gz RBAZPHPHFUTTLD-UHFFFAOYSA-N 1 1 453.654 4.844 20 0 JJADMO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC001461464682 1067863351 /nfs/dbraw/zinc/86/33/51/1067863351.db2.gz YMVJQAUEMLZKGP-UHFFFAOYSA-N 1 1 457.905 4.546 20 0 JJADMO Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC001461488200 1067873709 /nfs/dbraw/zinc/87/37/09/1067873709.db2.gz QHNMMFYYPUIOCM-UHFFFAOYSA-N 1 1 451.514 4.510 20 0 JJADMO CC[N@@H+](CCC1CCN(C(=O)CSc2nncn2-c2ccc(C)c(C)c2)CC1)CC(C)C ZINC001546124837 1067873927 /nfs/dbraw/zinc/87/39/27/1067873927.db2.gz LROUXGYHXBIXRP-UHFFFAOYSA-N 1 1 457.688 4.583 20 0 JJADMO CC(C)[C@@H]1CN(C(=O)CCCOc2ccccc2Br)CC[N@H+]1Cc1ccccc1 ZINC001461597295 1067897544 /nfs/dbraw/zinc/89/75/44/1067897544.db2.gz JBEJHVSWQKAFBT-QFIPXVFZSA-N 1 1 459.428 4.977 20 0 JJADMO Fc1ccc(OCc2ccc(C[NH2+]Cc3ncc(I)s3)cc2)cc1 ZINC001461610049 1067901279 /nfs/dbraw/zinc/90/12/79/1067901279.db2.gz RUSXLMLTPAJZTL-UHFFFAOYSA-N 1 1 454.308 4.756 20 0 JJADMO C[NH+]1CCN(CCCOc2ccc(NCc3ccc(NC(=O)OC(C)(C)C)cc3)cc2)CC1 ZINC001461623378 1067903626 /nfs/dbraw/zinc/90/36/26/1067903626.db2.gz MPWWJCHOYIXTPN-UHFFFAOYSA-N 1 1 454.615 4.662 20 0 JJADMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)cc1 ZINC001461675360 1067916044 /nfs/dbraw/zinc/91/60/44/1067916044.db2.gz AHNTYFGJRGPHPW-NRFANRHFSA-N 1 1 452.986 4.662 20 0 JJADMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)cc1 ZINC001461675360 1067916051 /nfs/dbraw/zinc/91/60/51/1067916051.db2.gz AHNTYFGJRGPHPW-NRFANRHFSA-N 1 1 452.986 4.662 20 0 JJADMO CCCOc1ccc(-c2nc(C(=O)NC[C@H]3CC[N@@H+]3Cc3ccc(OC)cc3)cs2)cc1 ZINC001461676582 1067916542 /nfs/dbraw/zinc/91/65/42/1067916542.db2.gz GGILWSLTORYIPA-HXUWFJFHSA-N 1 1 451.592 4.612 20 0 JJADMO CCCOc1ccc(-c2nc(C(=O)NC[C@H]3CC[N@H+]3Cc3ccc(OC)cc3)cs2)cc1 ZINC001461676582 1067916552 /nfs/dbraw/zinc/91/65/52/1067916552.db2.gz GGILWSLTORYIPA-HXUWFJFHSA-N 1 1 451.592 4.612 20 0 JJADMO O=C1[C@@H]([NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CCN1c1ccc(Cl)cc1F ZINC001461688308 1067918744 /nfs/dbraw/zinc/91/87/44/1067918744.db2.gz VPEUJMDWQOQWEZ-SFHVURJKSA-N 1 1 452.839 4.579 20 0 JJADMO CC(C)(C)OC(=O)N1CC(C)(C)CC[C@@H]1C[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC001461694627 1067920093 /nfs/dbraw/zinc/92/00/93/1067920093.db2.gz ZUVNGEKZCRSDPE-QGZVFWFLSA-N 1 1 451.974 4.575 20 0 JJADMO COCO[C@@H](C)c1cc(F)c(C[NH2+]Cc2cc3c([nH]c2=O)CCCC3)cc1Br ZINC001461699835 1067921271 /nfs/dbraw/zinc/92/12/71/1067921271.db2.gz OFECTDVPXRFLKX-ZDUSSCGKSA-N 1 1 453.352 4.539 20 0 JJADMO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001461704197 1067921852 /nfs/dbraw/zinc/92/18/52/1067921852.db2.gz WZBPYHJIVYBXAU-BKKFENPESA-N 1 1 495.639 4.674 20 0 JJADMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CN(C(=O)c1ccccc1)c1ccccc1 ZINC001461709716 1067923184 /nfs/dbraw/zinc/92/31/84/1067923184.db2.gz AMLLDBGOVAZTGO-HHHXNRCGSA-N 1 1 455.602 4.702 20 0 JJADMO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC001461711971 1067923252 /nfs/dbraw/zinc/92/32/52/1067923252.db2.gz IXPJIWSPZXRFLT-DYESRHJHSA-N 1 1 450.549 4.535 20 0 JJADMO COc1ccc(CCC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(C)C)cc1Br ZINC001461713357 1067923702 /nfs/dbraw/zinc/92/37/02/1067923702.db2.gz LXOPWTJTMBAOMB-JOCHJYFZSA-N 1 1 459.428 4.759 20 0 JJADMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC001461851555 1067947182 /nfs/dbraw/zinc/94/71/82/1067947182.db2.gz MJRXXOKHCSGPNZ-GOSISDBHSA-N 1 1 456.940 4.598 20 0 JJADMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC001461851555 1067947186 /nfs/dbraw/zinc/94/71/86/1067947186.db2.gz MJRXXOKHCSGPNZ-GOSISDBHSA-N 1 1 456.940 4.598 20 0 JJADMO C[C@@H](Oc1ccccc1Br)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001461852986 1067947395 /nfs/dbraw/zinc/94/73/95/1067947395.db2.gz CSRMSFJORGOGDE-QUCCMNQESA-N 1 1 457.412 4.635 20 0 JJADMO C[C@H](Oc1ccccc1Br)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001461852956 1067947475 /nfs/dbraw/zinc/94/74/75/1067947475.db2.gz CSRMSFJORGOGDE-AZUAARDMSA-N 1 1 457.412 4.635 20 0 JJADMO CC(=O)Nc1cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc(C(F)(F)F)c1 ZINC001461857456 1067948616 /nfs/dbraw/zinc/94/86/16/1067948616.db2.gz WLZGLCJVFLRZTD-NRFANRHFSA-N 1 1 459.512 4.696 20 0 JJADMO CC(C)(C)OC(=O)c1ccccc1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001461894581 1067956577 /nfs/dbraw/zinc/95/65/77/1067956577.db2.gz VZXYQIXGBGBELR-IZZNHLLZSA-N 1 1 471.601 4.569 20 0 JJADMO COCc1ccccc1/C=C(/C)C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC001461899205 1067957525 /nfs/dbraw/zinc/95/75/25/1067957525.db2.gz ODOGUCOIWHQIPF-LYPXWFNGSA-N 1 1 458.400 4.745 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H]([N@H+](Cc2cnc(C3OCCO3)s2)Cc2ccccc2)C1 ZINC001461899700 1067957591 /nfs/dbraw/zinc/95/75/91/1067957591.db2.gz ISYOEDCPGCGJGI-LJQANCHMSA-N 1 1 459.612 4.590 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H]([N@@H+](Cc2cnc(C3OCCO3)s2)Cc2ccccc2)C1 ZINC001461899700 1067957598 /nfs/dbraw/zinc/95/75/98/1067957598.db2.gz ISYOEDCPGCGJGI-LJQANCHMSA-N 1 1 459.612 4.590 20 0 JJADMO CC(C)COC(=O)N1CCC[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC001461909464 1067959586 /nfs/dbraw/zinc/95/95/86/1067959586.db2.gz MFEMYDXTBGLGFJ-UHFFFAOYSA-N 1 1 452.418 4.873 20 0 JJADMO CC(C)COC(=O)N1CCC[N@@H+](Cc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC001461909464 1067959591 /nfs/dbraw/zinc/95/95/91/1067959591.db2.gz MFEMYDXTBGLGFJ-UHFFFAOYSA-N 1 1 452.418 4.873 20 0 JJADMO CC(C)(C)OC(=O)N1[C@H](CN2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)COC1(C)C ZINC001461910991 1067959711 /nfs/dbraw/zinc/95/97/11/1067959711.db2.gz CSISRTPYTXFKKQ-HSZRJFAPSA-N 1 1 457.659 4.879 20 0 JJADMO CC(C)(C)OC(=O)N1[C@H](C[N@@H+]2CCN(Cc3ccccc3)C3(CCCCC3)C2)COC1(C)C ZINC001461910991 1067959716 /nfs/dbraw/zinc/95/97/16/1067959716.db2.gz CSISRTPYTXFKKQ-HSZRJFAPSA-N 1 1 457.659 4.879 20 0 JJADMO CC(C)(C)OC(=O)N1[C@H](C[N@H+]2CCN(Cc3ccccc3)C3(CCCCC3)C2)COC1(C)C ZINC001461910991 1067959721 /nfs/dbraw/zinc/95/97/21/1067959721.db2.gz CSISRTPYTXFKKQ-HSZRJFAPSA-N 1 1 457.659 4.879 20 0 JJADMO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2CCCc2ccccc2)C1 ZINC001461928369 1067962936 /nfs/dbraw/zinc/96/29/36/1067962936.db2.gz RPOLSAQDBFGFDM-ZEQRLZLVSA-N 1 1 457.659 4.627 20 0 JJADMO CCC[N@@H+](C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001461958852 1067969324 /nfs/dbraw/zinc/96/93/24/1067969324.db2.gz MWQBAKVEZZGZII-IBGZPJMESA-N 1 1 453.574 4.552 20 0 JJADMO COc1sc(C[N@@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)cc1Br ZINC001461958795 1067969442 /nfs/dbraw/zinc/96/94/42/1067969442.db2.gz LMPCLLQCDUPFBD-CYBMUJFWSA-N 1 1 456.381 4.692 20 0 JJADMO COc1sc(C[N@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)cc1Br ZINC001461958795 1067969452 /nfs/dbraw/zinc/96/94/52/1067969452.db2.gz LMPCLLQCDUPFBD-CYBMUJFWSA-N 1 1 456.381 4.692 20 0 JJADMO FC(F)(F)Oc1ccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)cc1Br ZINC001461963962 1067969955 /nfs/dbraw/zinc/96/99/55/1067969955.db2.gz BSJKZRWBTALMCN-INIZCTEOSA-N 1 1 452.311 4.898 20 0 JJADMO CCOc1cc(F)cc(C[NH+]2CCC(Oc3ccccc3I)CC2)c1 ZINC001461965122 1067970484 /nfs/dbraw/zinc/97/04/84/1067970484.db2.gz DVBYYRWMYRQTTG-UHFFFAOYSA-N 1 1 455.311 4.872 20 0 JJADMO Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC001461971990 1067972537 /nfs/dbraw/zinc/97/25/37/1067972537.db2.gz SZIKDRXYCZYSLQ-UHFFFAOYSA-N 1 1 454.368 4.744 20 0 JJADMO Cc1cccc(C(=O)N2CCC[N@H+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)CC2)c1 ZINC001462015856 1067981443 /nfs/dbraw/zinc/98/14/43/1067981443.db2.gz YKUASGZEQMAYEN-UHFFFAOYSA-N 1 1 456.512 4.607 20 0 JJADMO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)CC2)c1 ZINC001462015856 1067981451 /nfs/dbraw/zinc/98/14/51/1067981451.db2.gz YKUASGZEQMAYEN-UHFFFAOYSA-N 1 1 456.512 4.607 20 0 JJADMO C[C@H](C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)C1CCCCC1 ZINC001462021559 1067982894 /nfs/dbraw/zinc/98/28/94/1067982894.db2.gz YVFDZJKRTRBROK-OAHLLOKOSA-N 1 1 452.970 4.882 20 0 JJADMO C[C@@H]1CCC[C@H]([N@@H+](Cc2cc(C(=O)OC(C)(C)C)nn2C)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC001462033303 1067985041 /nfs/dbraw/zinc/98/50/41/1067985041.db2.gz MEVCQDZGHRXABV-FGSXEWAUSA-N 1 1 455.599 4.931 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)c2cc(F)c(F)c(F)c2F)cc1 ZINC001462106100 1068004141 /nfs/dbraw/zinc/00/41/41/1068004141.db2.gz IKPYQQSHABVBRF-PZJWPPBQSA-N 1 1 458.455 4.650 20 0 JJADMO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)Cc1ccc(N(C)c2ccccc2)nc1 ZINC001462109290 1068005859 /nfs/dbraw/zinc/00/58/59/1068005859.db2.gz HCCPYIWJIWUVRM-FQEVSTJZSA-N 1 1 450.608 4.582 20 0 JJADMO COc1cc(Cl)c(Br)cc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001462121611 1068008790 /nfs/dbraw/zinc/00/87/90/1068008790.db2.gz KSIANXOXUNLRCF-GDBMZVCRSA-N 1 1 451.792 4.609 20 0 JJADMO COc1cc(Cl)c(Br)cc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001462121614 1068009500 /nfs/dbraw/zinc/00/95/00/1068009500.db2.gz KSIANXOXUNLRCF-HOCLYGCPSA-N 1 1 451.792 4.609 20 0 JJADMO Cc1nc(COc2ccc(F)cc2)sc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001462124723 1068010487 /nfs/dbraw/zinc/01/04/87/1068010487.db2.gz PNPWRJFWRFJLHT-XLIONFOSSA-N 1 1 453.583 4.668 20 0 JJADMO Cc1ccccc1-n1ncc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1C(F)(F)F ZINC001462132926 1068012639 /nfs/dbraw/zinc/01/26/39/1068012639.db2.gz ZASLLQHCBZHDQL-AZUAARDMSA-N 1 1 456.512 4.697 20 0 JJADMO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)cnn1C ZINC001462150974 1068016449 /nfs/dbraw/zinc/01/64/49/1068016449.db2.gz QRVYBMVVAQVHLB-INWJIATQSA-N 1 1 452.643 4.823 20 0 JJADMO Cc1nn(-c2cccc(Br)c2)cc1C[N@H+](C[C@@H](O)COc1ccccc1)C(C)C ZINC001462154572 1068017819 /nfs/dbraw/zinc/01/78/19/1068017819.db2.gz IZXZIADUXQMOEH-JOCHJYFZSA-N 1 1 458.400 4.594 20 0 JJADMO Cc1cc(Br)cn2c(C[N@@H+]3CCC[C@@H](CCNC(=O)OC(C)(C)C)C3)cnc12 ZINC001462155392 1068018070 /nfs/dbraw/zinc/01/80/70/1068018070.db2.gz ZZZMPJIRXNBNND-INIZCTEOSA-N 1 1 451.409 4.532 20 0 JJADMO Cc1cc(Br)cn2c(C[N@H+]3CCC[C@@H](CCNC(=O)OC(C)(C)C)C3)cnc12 ZINC001462155392 1068018085 /nfs/dbraw/zinc/01/80/85/1068018085.db2.gz ZZZMPJIRXNBNND-INIZCTEOSA-N 1 1 451.409 4.532 20 0 JJADMO O=C(NC[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1)OCc1ccccc1 ZINC001462178373 1068022883 /nfs/dbraw/zinc/02/28/83/1068022883.db2.gz PLPSAJUWEJKBIN-JOCHJYFZSA-N 1 1 452.986 4.723 20 0 JJADMO O=C(NC[C@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1)OCc1ccccc1 ZINC001462178373 1068022896 /nfs/dbraw/zinc/02/28/96/1068022896.db2.gz PLPSAJUWEJKBIN-JOCHJYFZSA-N 1 1 452.986 4.723 20 0 JJADMO OC1(Cc2ccc(OC(F)(F)F)cc2)CC[NH+](Cc2ccsc2Br)CC1 ZINC001462207086 1068028909 /nfs/dbraw/zinc/02/89/09/1068028909.db2.gz XBXYGDOZJABEHX-UHFFFAOYSA-N 1 1 450.320 4.979 20 0 JJADMO Cc1c(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001462232600 1068034233 /nfs/dbraw/zinc/03/42/33/1068034233.db2.gz UBMDXJRUQXDKTH-JOCHJYFZSA-N 1 1 456.512 4.984 20 0 JJADMO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001462234202 1068034962 /nfs/dbraw/zinc/03/49/62/1068034962.db2.gz YYJXHUXJYLMTES-XMMPIXPASA-N 1 1 451.014 4.986 20 0 JJADMO Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)C1 ZINC001462256663 1068039640 /nfs/dbraw/zinc/03/96/40/1068039640.db2.gz CYLPCJKNEBWDPG-ZGBFETHSSA-N 1 1 452.904 4.698 20 0 JJADMO Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)C1 ZINC001462256663 1068039645 /nfs/dbraw/zinc/03/96/45/1068039645.db2.gz CYLPCJKNEBWDPG-ZGBFETHSSA-N 1 1 452.904 4.698 20 0 JJADMO Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(F)c(Oc3ccccc3)c(F)c2)C1 ZINC001462258798 1068040263 /nfs/dbraw/zinc/04/02/63/1068040263.db2.gz KNYPKKUGKPBVGN-QFIPXVFZSA-N 1 1 452.501 4.696 20 0 JJADMO Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)c2cc(F)c(Oc3ccccc3)c(F)c2)C1 ZINC001462258798 1068040267 /nfs/dbraw/zinc/04/02/67/1068040267.db2.gz KNYPKKUGKPBVGN-QFIPXVFZSA-N 1 1 452.501 4.696 20 0 JJADMO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC001462261128 1068040823 /nfs/dbraw/zinc/04/08/23/1068040823.db2.gz RKHNOWQAQWMNNC-UHFFFAOYSA-N 1 1 458.379 4.615 20 0 JJADMO COC(=O)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001462272511 1068041778 /nfs/dbraw/zinc/04/17/78/1068041778.db2.gz CMEZJEMDYJXNST-OALUTQOASA-N 1 1 455.599 4.814 20 0 JJADMO C[C@@H](C[N@@H+](Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1)[C@@H](C)CO)c1ccccc1 ZINC001462293886 1068045651 /nfs/dbraw/zinc/04/56/51/1068045651.db2.gz VOPJEJFNQDPTOW-SFTDATJTSA-N 1 1 456.627 4.824 20 0 JJADMO CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC001462294929 1068045932 /nfs/dbraw/zinc/04/59/32/1068045932.db2.gz XLQILOSOWNOGLA-INIZCTEOSA-N 1 1 458.546 4.847 20 0 JJADMO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2Oc2cccc(Cl)c2)C1)C1CC1 ZINC001462316421 1068050326 /nfs/dbraw/zinc/05/03/26/1068050326.db2.gz IMFMUGWRINTFNW-MRXNPFEDSA-N 1 1 452.979 4.565 20 0 JJADMO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2cc(F)ccc2Oc2cccc(Cl)c2)C1)C1CC1 ZINC001462316421 1068050339 /nfs/dbraw/zinc/05/03/39/1068050339.db2.gz IMFMUGWRINTFNW-MRXNPFEDSA-N 1 1 452.979 4.565 20 0 JJADMO C[C@H]1CN(c2ccccc2C[N@@H+]2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)CCO1 ZINC001462340895 1068054383 /nfs/dbraw/zinc/05/43/83/1068054383.db2.gz SYDLGQMLEKKGFX-NGYIFUPDSA-N 1 1 469.601 4.544 20 0 JJADMO C[C@@H]1CN(c2ccccc2C[N@@H+]2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)CCO1 ZINC001462340903 1068054712 /nfs/dbraw/zinc/05/47/12/1068054712.db2.gz SYDLGQMLEKKGFX-WNOPAQSVSA-N 1 1 469.601 4.544 20 0 JJADMO COC(=O)[C@@H]1C[N@@H+](Cc2ccnc3c(Br)cccc23)C[C@H]1c1ccc(F)cc1F ZINC001462362024 1068060112 /nfs/dbraw/zinc/06/01/12/1068060112.db2.gz PPDSGUNJOZWHFD-ZWKOTPCHSA-N 1 1 461.306 4.664 20 0 JJADMO CC(C)(C)OC(=O)C1CCN(c2ccc(C[N@@H+]3CC[C@@H](O)[C@H]3c3ccc(Cl)cc3)o2)CC1 ZINC001462362140 1068060237 /nfs/dbraw/zinc/06/02/37/1068060237.db2.gz CPLYHZFFOQFMFO-FYYLOGMGSA-N 1 1 461.002 4.799 20 0 JJADMO CC(C)(C)OC(=O)C1CCN(c2ccc(C[N@H+]3CC[C@@H](O)[C@H]3c3ccc(Cl)cc3)o2)CC1 ZINC001462362140 1068060246 /nfs/dbraw/zinc/06/02/46/1068060246.db2.gz CPLYHZFFOQFMFO-FYYLOGMGSA-N 1 1 461.002 4.799 20 0 JJADMO COCC[N@@H+](Cc1cc2cc(OC)ccc2o1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001462397452 1068065427 /nfs/dbraw/zinc/06/54/27/1068065427.db2.gz VZWLWQYDOLVVRB-UHFFFAOYSA-N 1 1 452.551 4.691 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)CC[C@H]1C(=O)OC(C)(C)C ZINC001462442339 1068074959 /nfs/dbraw/zinc/07/49/59/1068074959.db2.gz QROFWFJITDBHMD-VQIMIIECSA-N 1 1 450.645 4.841 20 0 JJADMO C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CC[C@@]2(C1)C[N@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC001462447235 1068076479 /nfs/dbraw/zinc/07/64/79/1068076479.db2.gz SCNIZKHKHAKHGO-XJGOYTCSSA-N 1 1 450.623 4.643 20 0 JJADMO C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC001462447235 1068076493 /nfs/dbraw/zinc/07/64/93/1068076493.db2.gz SCNIZKHKHAKHGO-XJGOYTCSSA-N 1 1 450.623 4.643 20 0 JJADMO C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CC[C@@]2(C1)C[N@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC001462447233 1068076606 /nfs/dbraw/zinc/07/66/06/1068076606.db2.gz SCNIZKHKHAKHGO-WENCSYSZSA-N 1 1 450.623 4.643 20 0 JJADMO C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC001462447233 1068076623 /nfs/dbraw/zinc/07/66/23/1068076623.db2.gz SCNIZKHKHAKHGO-WENCSYSZSA-N 1 1 450.623 4.643 20 0 JJADMO CCc1ccc(C[NH+]2CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)CC2)cc1 ZINC001462473850 1068081279 /nfs/dbraw/zinc/08/12/79/1068081279.db2.gz WTLIMEZGNXFCEG-XMMPIXPASA-N 1 1 451.611 4.549 20 0 JJADMO COC(=O)[C@@H]1C[N@@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C[C@H]1c1ccc(O)cc1 ZINC001462483921 1068083123 /nfs/dbraw/zinc/08/31/23/1068083123.db2.gz WRUAPCUCSQOOLT-VQTJNVASSA-N 1 1 473.392 4.667 20 0 JJADMO COc1ccc([C@@H]2C[N@H+](Cc3nc4ccc(F)cc4s3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001462518917 1068090043 /nfs/dbraw/zinc/09/00/43/1068090043.db2.gz MLSHLTKUBABFNM-AZUAARDMSA-N 1 1 457.571 4.937 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3nc4ccc(F)cc4s3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001462518917 1068090061 /nfs/dbraw/zinc/09/00/61/1068090061.db2.gz MLSHLTKUBABFNM-AZUAARDMSA-N 1 1 457.571 4.937 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(Cc3c(F)cc(Br)cc3F)C2)O1 ZINC001462538849 1068094508 /nfs/dbraw/zinc/09/45/08/1068094508.db2.gz ZQHQCHNENIWWKR-OPAMFIHVSA-N 1 1 451.355 4.593 20 0 JJADMO CCOC(=O)c1sc(CC2CC[NH+](Cc3ccnn3CCc3ccccc3)CC2)nc1C ZINC001462549043 1068095814 /nfs/dbraw/zinc/09/58/14/1068095814.db2.gz KCHHVDHBIDBYIB-UHFFFAOYSA-N 1 1 452.624 4.522 20 0 JJADMO CCOc1cc(C[NH+]2CCC(CC)(NC(=O)OC(C)(C)C)CC2)cc(Br)c1O ZINC001462548686 1068095847 /nfs/dbraw/zinc/09/58/47/1068095847.db2.gz WKTBJUBHHGSCOI-UHFFFAOYSA-N 1 1 457.409 4.823 20 0 JJADMO CCOc1cc(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)cc(Cl)c1O ZINC001462579519 1068103231 /nfs/dbraw/zinc/10/32/31/1068103231.db2.gz VUZGPONEJIERBY-UONOGXRCSA-N 1 1 452.901 4.579 20 0 JJADMO CCOc1cc(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)cc(Cl)c1O ZINC001462579519 1068103235 /nfs/dbraw/zinc/10/32/35/1068103235.db2.gz VUZGPONEJIERBY-UONOGXRCSA-N 1 1 452.901 4.579 20 0 JJADMO CC(=O)N(c1nc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)cs1)c1cccc(Cl)c1 ZINC001462589822 1068105753 /nfs/dbraw/zinc/10/57/53/1068105753.db2.gz KRXMKODNUJVTFQ-GDZMOAKWSA-N 1 1 450.004 4.543 20 0 JJADMO Cn1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)c(-c2ccc(F)cc2)n1 ZINC001462592329 1068107025 /nfs/dbraw/zinc/10/70/25/1068107025.db2.gz OGFHDJGTGPPRKJ-ZWKOTPCHSA-N 1 1 456.484 4.504 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)c(-c2ccc(F)cc2)n1 ZINC001462592329 1068107028 /nfs/dbraw/zinc/10/70/28/1068107028.db2.gz OGFHDJGTGPPRKJ-ZWKOTPCHSA-N 1 1 456.484 4.504 20 0 JJADMO CC(C)Cn1nccc1C[N@@H+]1Cc2ccccc2OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001462611935 1068112358 /nfs/dbraw/zinc/11/23/58/1068112358.db2.gz KTIWFIRHZPXKBT-UHFFFAOYSA-N 1 1 454.615 4.703 20 0 JJADMO CC(C)Cn1nccc1C[N@H+]1Cc2ccccc2OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001462611935 1068112364 /nfs/dbraw/zinc/11/23/64/1068112364.db2.gz KTIWFIRHZPXKBT-UHFFFAOYSA-N 1 1 454.615 4.703 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(Br)cc3)C[C@@H]2C1 ZINC001462625126 1068116188 /nfs/dbraw/zinc/11/61/88/1068116188.db2.gz XHSXUVYLUHYYOY-SJLPKXTDSA-N 1 1 461.404 4.528 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cc(Br)ccc3Br)C[C@@H]2C1 ZINC001462629780 1068117518 /nfs/dbraw/zinc/11/75/18/1068117518.db2.gz PPIIUUJFNBUBFD-UKRRQHHQSA-N 1 1 474.237 4.900 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cc(Br)ccc3Br)C[C@@H]2C1 ZINC001462629780 1068117523 /nfs/dbraw/zinc/11/75/23/1068117523.db2.gz PPIIUUJFNBUBFD-UKRRQHHQSA-N 1 1 474.237 4.900 20 0 JJADMO C[C@H]1C[N@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001462631150 1068118273 /nfs/dbraw/zinc/11/82/73/1068118273.db2.gz UFOJBAKTOIISLX-LSDHHAIUSA-N 1 1 454.402 4.557 20 0 JJADMO C[C@H]1C[N@@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001462631150 1068118280 /nfs/dbraw/zinc/11/82/80/1068118280.db2.gz UFOJBAKTOIISLX-LSDHHAIUSA-N 1 1 454.402 4.557 20 0 JJADMO COc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC001462634849 1068119522 /nfs/dbraw/zinc/11/95/22/1068119522.db2.gz TXNAHHRZHWUKIW-KRWDZBQOSA-N 1 1 454.368 4.857 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@H](OCC2CCCC2)c2ccccc2)CCOCC1 ZINC001462646933 1068122948 /nfs/dbraw/zinc/12/29/48/1068122948.db2.gz ZQEDJROSCKACLV-AREMUKBSSA-N 1 1 450.623 4.732 20 0 JJADMO CC(C)[C@@H]1CCC[C@](NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)(C(F)(F)F)CC1 ZINC001462648473 1068123980 /nfs/dbraw/zinc/12/39/80/1068123980.db2.gz RHZQGMDOPWFWMF-WRHDZBKDSA-N 1 1 456.597 4.888 20 0 JJADMO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cc3c(Br)cc(F)c(F)c3N3CCCCC3)C[C@@H]2C1 ZINC001462655429 1068125794 /nfs/dbraw/zinc/12/57/94/1068125794.db2.gz QZZAKZDROCYQFS-IXDOHACOSA-N 1 1 456.419 4.880 20 0 JJADMO COc1ccc(-c2ccccc2C)cc1C[N@H+]1CCC[C@H](N(CCO)C(=O)OC(C)(C)C)C1 ZINC001462671122 1068127828 /nfs/dbraw/zinc/12/78/28/1068127828.db2.gz DUXSNRJYDQDNTN-QHCPKHFHSA-N 1 1 454.611 4.864 20 0 JJADMO COc1ccc(Oc2ccc(C[N@H+]3CCC[C@H](N(CCO)C(=O)OC(C)(C)C)C3)cc2)cc1 ZINC001462676107 1068128535 /nfs/dbraw/zinc/12/85/35/1068128535.db2.gz VVSJVLAMXMZPQF-NRFANRHFSA-N 1 1 456.583 4.681 20 0 JJADMO CN(C)[C@@H](CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)C(F)(F)F ZINC001462690581 1068132129 /nfs/dbraw/zinc/13/21/29/1068132129.db2.gz RFGNQHLPBATCEH-BDTNDASRSA-N 1 1 467.963 4.554 20 0 JJADMO COc1cccc([C@H](CNS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)[NH+]2CCCC2)c1 ZINC001462727077 1068144619 /nfs/dbraw/zinc/14/46/19/1068144619.db2.gz DJZSDUUNDJXJCJ-IBGZPJMESA-N 1 1 457.423 4.734 20 0 JJADMO CC1CC[NH+]([C@@H](CNS(=O)(=O)c2ccc(F)cc2C(F)(F)F)c2cccs2)CC1 ZINC001462735253 1068148285 /nfs/dbraw/zinc/14/82/85/1068148285.db2.gz UWSZJPHRIMYQJL-INIZCTEOSA-N 1 1 450.523 4.658 20 0 JJADMO CC1CC[NH+]([C@H](CNS(=O)(=O)c2ccc(F)cc2C(F)(F)F)c2cccs2)CC1 ZINC001462735262 1068148323 /nfs/dbraw/zinc/14/83/23/1068148323.db2.gz UWSZJPHRIMYQJL-MRXNPFEDSA-N 1 1 450.523 4.658 20 0 JJADMO Cc1ccc(C2(C(=O)N[C@H]3CCC[N@H+]4CCSC[C@H]34)CCCCC2)c(Br)c1 ZINC001462749612 1068154476 /nfs/dbraw/zinc/15/44/76/1068154476.db2.gz QFWDDFFPAKRQJD-VQTJNVASSA-N 1 1 451.474 4.655 20 0 JJADMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(Oc2cccc(F)c2)cn1 ZINC001462769732 1068161909 /nfs/dbraw/zinc/16/19/09/1068161909.db2.gz MDVSKVITOVZSAN-IFMALSPDSA-N 1 1 459.443 4.806 20 0 JJADMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(Oc2cccc(F)c2)cn1 ZINC001462769732 1068161912 /nfs/dbraw/zinc/16/19/12/1068161912.db2.gz MDVSKVITOVZSAN-IFMALSPDSA-N 1 1 459.443 4.806 20 0 JJADMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1cc(F)c(F)cc1Br ZINC001462770975 1068162353 /nfs/dbraw/zinc/16/23/53/1068162353.db2.gz VBFNBIGQQPUIBC-CXAGYDPISA-N 1 1 463.244 4.520 20 0 JJADMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1cc(F)c(F)cc1Br ZINC001462770975 1068162356 /nfs/dbraw/zinc/16/23/56/1068162356.db2.gz VBFNBIGQQPUIBC-CXAGYDPISA-N 1 1 463.244 4.520 20 0 JJADMO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)nn1-c1cccc(Cl)c1 ZINC001462770100 1068162521 /nfs/dbraw/zinc/16/25/21/1068162521.db2.gz OMZYAFMRMVSHEH-TZIWHRDSSA-N 1 1 462.903 4.627 20 0 JJADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)nn1-c1cccc(Cl)c1 ZINC001462770100 1068162524 /nfs/dbraw/zinc/16/25/24/1068162524.db2.gz OMZYAFMRMVSHEH-TZIWHRDSSA-N 1 1 462.903 4.627 20 0 JJADMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1cccc(OCc2cscn2)c1 ZINC001462771048 1068162957 /nfs/dbraw/zinc/16/29/57/1068162957.db2.gz YOPUWTYVPUAWPB-NHCUHLMSSA-N 1 1 461.509 4.515 20 0 JJADMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1cccc(OCc2cscn2)c1 ZINC001462771048 1068162963 /nfs/dbraw/zinc/16/29/63/1068162963.db2.gz YOPUWTYVPUAWPB-NHCUHLMSSA-N 1 1 461.509 4.515 20 0 JJADMO C[C@H](Sc1nc2ccccc2s1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001462771035 1068163085 /nfs/dbraw/zinc/16/30/85/1068163085.db2.gz XXQRTPWXQWDBNP-YXJHDRRASA-N 1 1 465.566 4.956 20 0 JJADMO C[C@H](Sc1nc2ccccc2s1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001462771035 1068163090 /nfs/dbraw/zinc/16/30/90/1068163090.db2.gz XXQRTPWXQWDBNP-YXJHDRRASA-N 1 1 465.566 4.956 20 0 JJADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNS(=O)(=O)c3c4ncsc4ccc3Cl)cc2)C1 ZINC001462827589 1068179651 /nfs/dbraw/zinc/17/96/51/1068179651.db2.gz BWGSKDFBRYFTCD-OAHLLOKOSA-N 1 1 450.029 4.660 20 0 JJADMO O=C(c1ccc(I)cc1Cl)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001462835261 1068184479 /nfs/dbraw/zinc/18/44/79/1068184479.db2.gz HWYCMYWIWBNHFW-SJORKVTESA-N 1 1 480.777 4.539 20 0 JJADMO COc1ccccc1[C@@H](CNS(=O)(=O)c1ccc(OC2CCCC2)cc1)[NH+]1CCCCC1 ZINC001462866454 1068196286 /nfs/dbraw/zinc/19/62/86/1068196286.db2.gz AOXLTHAFRMMPIC-XMMPIXPASA-N 1 1 458.624 4.522 20 0 JJADMO COc1ccc(Oc2ccc(S(=O)(=O)NC[C@H](c3ccc(C)o3)[NH+]3CCCC3)cc2)cc1 ZINC001462976788 1068235633 /nfs/dbraw/zinc/23/56/33/1068235633.db2.gz AQHLOZIUJWGYHT-HSZRJFAPSA-N 1 1 456.564 4.504 20 0 JJADMO COc1ccc(Oc2ccc(S(=O)(=O)NC[C@@H](c3ccc(C)o3)[NH+]3CCCC3)cc2)cc1 ZINC001462976789 1068235724 /nfs/dbraw/zinc/23/57/24/1068235724.db2.gz AQHLOZIUJWGYHT-QHCPKHFHSA-N 1 1 456.564 4.504 20 0 JJADMO CCCN([C@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC001462981200 1068237404 /nfs/dbraw/zinc/23/74/04/1068237404.db2.gz HIRUUWZCHBPYNS-QFIPXVFZSA-N 1 1 455.649 4.875 20 0 JJADMO CCCN([C@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC001462981200 1068237408 /nfs/dbraw/zinc/23/74/08/1068237408.db2.gz HIRUUWZCHBPYNS-QFIPXVFZSA-N 1 1 455.649 4.875 20 0 JJADMO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NC[C@H](C)Oc2cccc(C)c2)cc1 ZINC001463126385 1068296238 /nfs/dbraw/zinc/29/62/38/1068296238.db2.gz DXZDPYKURVQNJG-MXSCXNJPSA-N 1 1 478.658 4.658 20 0 JJADMO C[C@H](C(=O)N[C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)n1ccc(C(F)(F)F)n1 ZINC001463145787 1068302264 /nfs/dbraw/zinc/30/22/64/1068302264.db2.gz DWDLWECUWVYWIJ-UTSGNWPNSA-N 1 1 456.512 4.637 20 0 JJADMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)[C@@H]1c1cccs1 ZINC001463152162 1068304650 /nfs/dbraw/zinc/30/46/50/1068304650.db2.gz BPFAXPNNIZHSIA-SJKOYZFVSA-N 1 1 452.951 4.782 20 0 JJADMO CC(=O)CCc1ccc(O[C@@H](C)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC001463175881 1068310479 /nfs/dbraw/zinc/31/04/79/1068310479.db2.gz NDTNZVUPYDIFPD-WTWMYVDVSA-N 1 1 470.613 4.760 20 0 JJADMO CCCCCOc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC001463226637 1068327262 /nfs/dbraw/zinc/32/72/62/1068327262.db2.gz SSNYDHIYTBWPSJ-AREMUKBSSA-N 1 1 456.652 4.932 20 0 JJADMO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(OCc3ccccc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001463229738 1068328355 /nfs/dbraw/zinc/32/83/55/1068328355.db2.gz IVAZLPXSTIURKT-XUZZJYLKSA-N 1 1 450.604 4.597 20 0 JJADMO Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1C(F)(F)F ZINC001463276605 1068341572 /nfs/dbraw/zinc/34/15/72/1068341572.db2.gz AGFXBMJSQGSNJF-UGKGYDQZSA-N 1 1 452.542 4.689 20 0 JJADMO Cc1cc(Br)ccc1CS(=O)(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001463295995 1068348097 /nfs/dbraw/zinc/34/80/97/1068348097.db2.gz KPUDFUVQXKNAPN-GOSISDBHSA-N 1 1 457.478 4.564 20 0 JJADMO CS[C@H]1CCCCN(S(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(C)cc2)C1 ZINC001463375541 1068376820 /nfs/dbraw/zinc/37/68/20/1068376820.db2.gz INNNZQGGOYBWPK-CCDWMCETSA-N 1 1 458.693 4.510 20 0 JJADMO CCC[C@@H]1CN(S(=O)(=O)c2nc(C)sc2-c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001463409130 1068387078 /nfs/dbraw/zinc/38/70/78/1068387078.db2.gz GRHQTZHMJBVTME-JOCHJYFZSA-N 1 1 455.649 4.794 20 0 JJADMO CCC[C@@H]1CN(S(=O)(=O)c2nc(C)sc2-c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001463409130 1068387092 /nfs/dbraw/zinc/38/70/92/1068387092.db2.gz GRHQTZHMJBVTME-JOCHJYFZSA-N 1 1 455.649 4.794 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001463564929 1068446558 /nfs/dbraw/zinc/44/65/58/1068446558.db2.gz PKHNDBDFUKGEDY-HXUWFJFHSA-N 1 1 450.004 4.652 20 0 JJADMO CSc1ccc(S(=O)(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cc1Cl ZINC001463569911 1068449783 /nfs/dbraw/zinc/44/97/83/1068449783.db2.gz IAFMWHQZZVKNBS-MRXNPFEDSA-N 1 1 452.951 4.662 20 0 JJADMO C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1)c1ccc(Cl)cc1 ZINC001463600307 1068460928 /nfs/dbraw/zinc/46/09/28/1068460928.db2.gz ULTVALAUSLPOSC-GOSISDBHSA-N 1 1 452.045 4.828 20 0 JJADMO CC[N@H+](C)[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccccc1 ZINC001463670988 1068489656 /nfs/dbraw/zinc/48/96/56/1068489656.db2.gz CGPJDSHWBXEPEM-XMMPIXPASA-N 1 1 451.592 4.736 20 0 JJADMO CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccccc1 ZINC001463670988 1068489667 /nfs/dbraw/zinc/48/96/67/1068489667.db2.gz CGPJDSHWBXEPEM-XMMPIXPASA-N 1 1 451.592 4.736 20 0 JJADMO CC[C@]1(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CCN(C(=O)OC(C)(C)C)C1 ZINC001463725946 1068505829 /nfs/dbraw/zinc/50/58/29/1068505829.db2.gz PWENHZRZMRDBPC-MHZLTWQESA-N 1 1 451.611 4.521 20 0 JJADMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(Oc4cccc(Cl)c4Cl)nn3)sc2C1 ZINC001463752170 1068512969 /nfs/dbraw/zinc/51/29/69/1068512969.db2.gz VDUSNNSMTPUYQN-UHFFFAOYSA-N 1 1 450.351 4.663 20 0 JJADMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(Oc4cccc(Cl)c4Cl)nn3)sc2C1 ZINC001463752170 1068512983 /nfs/dbraw/zinc/51/29/83/1068512983.db2.gz VDUSNNSMTPUYQN-UHFFFAOYSA-N 1 1 450.351 4.663 20 0 JJADMO CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1S(=O)(=O)C1=Cc2ccccc2CC1 ZINC001463754508 1068513679 /nfs/dbraw/zinc/51/36/79/1068513679.db2.gz FVBVRBKMNBIEMI-SANMLTNESA-N 1 1 452.664 4.969 20 0 JJADMO COc1cccc([C@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)N(C)C)c1 ZINC001463771833 1068519798 /nfs/dbraw/zinc/51/97/98/1068519798.db2.gz VSNBXCIVSCPQLD-NHKHRBQYSA-N 1 1 471.645 4.638 20 0 JJADMO COc1cccc([C@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)N(C)C)c1 ZINC001463771833 1068519811 /nfs/dbraw/zinc/51/98/11/1068519811.db2.gz VSNBXCIVSCPQLD-NHKHRBQYSA-N 1 1 471.645 4.638 20 0 JJADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2OCc2ccccc2)C1 ZINC001463773259 1068520436 /nfs/dbraw/zinc/52/04/36/1068520436.db2.gz BGVIAZAESCSQQY-LJQANCHMSA-N 1 1 451.394 4.659 20 0 JJADMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC001463792630 1068525816 /nfs/dbraw/zinc/52/58/16/1068525816.db2.gz AHAGRRNLCUGLPZ-IBGZPJMESA-N 1 1 452.549 4.609 20 0 JJADMO COc1cc(C(=O)NN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1OC(C)C ZINC001463794331 1068527116 /nfs/dbraw/zinc/52/71/16/1068527116.db2.gz HSFAOAFRSURNFO-UHFFFAOYSA-N 1 1 459.590 4.534 20 0 JJADMO CC(C)(C)OC(=O)N=c1[nH]cc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)s1 ZINC001463836517 1068541801 /nfs/dbraw/zinc/54/18/01/1068541801.db2.gz JUGIMVIZWGKIFV-INIZCTEOSA-N 1 1 450.992 4.710 20 0 JJADMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1c(Cl)cc(C)cc1Br ZINC001464008539 1068587782 /nfs/dbraw/zinc/58/77/82/1068587782.db2.gz AIJFCJIYJBLKOT-BEFAXECRSA-N 1 1 469.832 4.716 20 0 JJADMO Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC001464015961 1068589310 /nfs/dbraw/zinc/58/93/10/1068589310.db2.gz NSNDAFLZLIAUGJ-UHFFFAOYSA-N 1 1 457.405 4.513 20 0 JJADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCc3c(NC(=O)OC(C)(C)C)cnn3C)cc2)C1 ZINC001464016790 1068589888 /nfs/dbraw/zinc/58/98/88/1068589888.db2.gz FDJXEZADFBGDQB-GOSISDBHSA-N 1 1 455.603 4.570 20 0 JJADMO CC(C)c1cccc(O[C@H](C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)c2ccccc2)c1 ZINC001464040549 1068596843 /nfs/dbraw/zinc/59/68/43/1068596843.db2.gz CNTHCBPMSAVBTL-NDEPHWFRSA-N 1 1 457.618 4.869 20 0 JJADMO CCC1(Cn2c(CC(C)(C)C)nnc2N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)CCOCC1 ZINC001546144077 1068607011 /nfs/dbraw/zinc/60/70/11/1068607011.db2.gz CQBKVTAIKSRTBO-JOCHJYFZSA-N 1 1 483.701 4.965 20 0 JJADMO CC[C@@H](CNC(=O)c1ccc(Sc2ccccc2Cl)nn1)[N@H+]1CCc2ccccc2C1 ZINC001464100034 1068615276 /nfs/dbraw/zinc/61/52/76/1068615276.db2.gz LYFAXPZQDJURON-IBGZPJMESA-N 1 1 453.011 4.848 20 0 JJADMO CCN1CC[NH+](Cc2ccc(NC(=O)c3ccccc3-c3ccccc3C(=O)OC)cc2)CC1 ZINC001464125991 1068624315 /nfs/dbraw/zinc/62/43/15/1068624315.db2.gz QUWIMHCDAIISGU-UHFFFAOYSA-N 1 1 457.574 4.530 20 0 JJADMO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001464136489 1068629945 /nfs/dbraw/zinc/62/99/45/1068629945.db2.gz KSBDTGKFGVVZJN-PMACEKPBSA-N 1 1 450.341 4.579 20 0 JJADMO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001464152638 1068634845 /nfs/dbraw/zinc/63/48/45/1068634845.db2.gz HUAIZHCIWGRRDL-SJORKVTESA-N 1 1 450.549 4.714 20 0 JJADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CC(C)(C)NC(=O)OCc3ccccc3)cc2)C1 ZINC001464154046 1068635050 /nfs/dbraw/zinc/63/50/50/1068635050.db2.gz MGWHULCHNPDBQT-NRFANRHFSA-N 1 1 451.611 4.630 20 0 JJADMO C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001464160014 1068637430 /nfs/dbraw/zinc/63/74/30/1068637430.db2.gz ONPSMEFPDWANTN-NBGIEHNGSA-N 1 1 457.578 4.958 20 0 JJADMO C[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001464160014 1068637440 /nfs/dbraw/zinc/63/74/40/1068637440.db2.gz ONPSMEFPDWANTN-NBGIEHNGSA-N 1 1 457.578 4.958 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 ZINC001464198231 1068652755 /nfs/dbraw/zinc/65/27/55/1068652755.db2.gz HHODVHROEGEZOV-UHFFFAOYSA-N 1 1 451.611 4.683 20 0 JJADMO CC(C)CCC(=O)NCC(=O)NC[C@H](c1ccc(C(C)C)cc1)[N@@H+]1CCc2sccc2C1 ZINC001464202796 1068655010 /nfs/dbraw/zinc/65/50/10/1068655010.db2.gz AQJWQQMMQWRERG-HSZRJFAPSA-N 1 1 455.668 4.640 20 0 JJADMO CC(C)CCC(=O)NCC(=O)NC[C@H](c1ccc(C(C)C)cc1)[N@H+]1CCc2sccc2C1 ZINC001464202796 1068655013 /nfs/dbraw/zinc/65/50/13/1068655013.db2.gz AQJWQQMMQWRERG-HSZRJFAPSA-N 1 1 455.668 4.640 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@@H]3CCCCCN3C(=O)OC(C)(C)C)cc2)C1 ZINC001464209108 1068658775 /nfs/dbraw/zinc/65/87/75/1068658775.db2.gz FAYCPXIZAQBBIC-IMSXRSKXSA-N 1 1 457.659 4.960 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)C1 ZINC001464215110 1068660403 /nfs/dbraw/zinc/66/04/03/1068660403.db2.gz IOKZTALGCDQBGX-LVCYWYKZSA-N 1 1 452.039 4.780 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3ccc(NC(=O)N(C)C)cc3Cl)cc2)C1 ZINC001464215996 1068660444 /nfs/dbraw/zinc/66/04/44/1068660444.db2.gz XUHQOCGOFPGFKH-HDICACEKSA-N 1 1 457.018 4.841 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2scc(Br)c2Br)C1 ZINC001464218116 1068661791 /nfs/dbraw/zinc/66/17/91/1068661791.db2.gz OHWFEFPTESCLLR-TXEJJXNPSA-N 1 1 452.256 4.761 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc3c(c2)[C@@H](CNC(=O)OC(C)(C)C)CCC3)C1 ZINC001464221709 1068663670 /nfs/dbraw/zinc/66/36/70/1068663670.db2.gz XMMWQNXLMFZLKC-ZRCGQRJVSA-N 1 1 457.659 4.729 20 0 JJADMO O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC001464281080 1068689324 /nfs/dbraw/zinc/68/93/24/1068689324.db2.gz KWNGEBBKMDATRZ-ISKFKSNPSA-N 1 1 458.021 4.687 20 0 JJADMO Cc1ccc(C[N@@H+]2CC[C@H](NS(=O)(=O)c3ccc(Oc4ccc(Cl)cc4)cc3)C2)cc1 ZINC001464325739 1068706361 /nfs/dbraw/zinc/70/63/61/1068706361.db2.gz FDCXCURPESBUIF-NRFANRHFSA-N 1 1 456.995 4.994 20 0 JJADMO Cc1ccc(C[N@H+]2CC[C@H](NS(=O)(=O)c3ccc(Oc4ccc(Cl)cc4)cc3)C2)cc1 ZINC001464325739 1068706376 /nfs/dbraw/zinc/70/63/76/1068706376.db2.gz FDCXCURPESBUIF-NRFANRHFSA-N 1 1 456.995 4.994 20 0 JJADMO COc1cc([C@H](C)NC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1OCc1ccccc1 ZINC001464329894 1068708446 /nfs/dbraw/zinc/70/84/46/1068708446.db2.gz ICTOOMDWJMCPIB-YRKFHGTDSA-N 1 1 454.611 4.585 20 0 JJADMO Cc1cccc(NC(=O)Nc2cccc(CNC(=O)[C@H]3CCCC[N@@H+]3Cc3ccncc3)c2)c1 ZINC001464331043 1068708647 /nfs/dbraw/zinc/70/86/47/1068708647.db2.gz PWOIHCYLGZQUKE-RUZDIDTESA-N 1 1 457.578 4.705 20 0 JJADMO Cc1cccc(NC(=O)Nc2cccc(CNC(=O)[C@H]3CCCC[N@H+]3Cc3ccncc3)c2)c1 ZINC001464331043 1068708659 /nfs/dbraw/zinc/70/86/59/1068708659.db2.gz PWOIHCYLGZQUKE-RUZDIDTESA-N 1 1 457.578 4.705 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](Cc2cccc(Br)c2)CC(C)C)cn1 ZINC001464342902 1068713306 /nfs/dbraw/zinc/71/33/06/1068713306.db2.gz NCIBJPCQVQNMIV-FQEVSTJZSA-N 1 1 455.400 4.859 20 0 JJADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)c3ccc(Oc4ccc(Cl)cc4)cn3)c2)CCO1 ZINC001464426802 1068741563 /nfs/dbraw/zinc/74/15/63/1068741563.db2.gz XLYCCPKDPOPIJY-GOSISDBHSA-N 1 1 451.954 4.678 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ccc(Oc4ccc(Cl)cc4)cn3)c2)CCO1 ZINC001464426802 1068741567 /nfs/dbraw/zinc/74/15/67/1068741567.db2.gz XLYCCPKDPOPIJY-GOSISDBHSA-N 1 1 451.954 4.678 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNS(=O)(=O)c2ccc(CC(F)(F)F)cc2)CCCCC1 ZINC001464442164 1068747284 /nfs/dbraw/zinc/74/72/84/1068747284.db2.gz VLYFJNWGHCKRHO-UHFFFAOYSA-N 1 1 454.558 4.905 20 0 JJADMO O=C(Cc1cnccc1Cl)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC001464452130 1068751157 /nfs/dbraw/zinc/75/11/57/1068751157.db2.gz NLDZMRQYPGWTDP-UHFFFAOYSA-N 1 1 455.389 4.892 20 0 JJADMO CC[C@@H](C)n1c(SCC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)nnc1-c1ccccc1 ZINC001464458290 1068753773 /nfs/dbraw/zinc/75/37/73/1068753773.db2.gz AYYBKZSUGAYBQM-HSALFYBXSA-N 1 1 457.688 4.881 20 0 JJADMO Cc1nc(-c2ccc(C(=O)NCCC[NH+]3CCN(c4ccccc4Cl)CC3)cc2)cs1 ZINC001464482288 1068762516 /nfs/dbraw/zinc/76/25/16/1068762516.db2.gz GKSLICSSKQNCPV-UHFFFAOYSA-N 1 1 455.027 4.714 20 0 JJADMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cc(I)c(Cl)cc2Cl)CC1 ZINC001464537325 1068775564 /nfs/dbraw/zinc/77/55/64/1068775564.db2.gz OMZLYJPTSQYLEE-UHFFFAOYSA-N 1 1 455.167 4.544 20 0 JJADMO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C)[NH+](C)C ZINC001464537961 1068775616 /nfs/dbraw/zinc/77/56/16/1068775616.db2.gz HRFQLAJXDKWRNO-RXYZOABWSA-N 1 1 451.442 4.997 20 0 JJADMO CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001464555869 1068780452 /nfs/dbraw/zinc/78/04/52/1068780452.db2.gz XVGRXDKXFPKTOX-LJQANCHMSA-N 1 1 457.018 4.902 20 0 JJADMO Cc1ccnc(Nc2cccc(C(=O)Nc3ccc(C)c(NC(=O)C[NH+]4CCCCC4)c3)c2)n1 ZINC001464557508 1068780736 /nfs/dbraw/zinc/78/07/36/1068780736.db2.gz URWALLTUKGSQCW-UHFFFAOYSA-N 1 1 458.566 4.514 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC001464670552 1068818969 /nfs/dbraw/zinc/81/89/69/1068818969.db2.gz PPRCKWHPVWEOKZ-PPJWLVRDSA-N 1 1 480.628 4.734 20 0 JJADMO C[C@@]1(NS(=O)(=O)c2c(Cl)ccnc2Cl)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001464683481 1068823877 /nfs/dbraw/zinc/82/38/77/1068823877.db2.gz BRWYRIMTTSXWGQ-WMZHIEFXSA-N 1 1 476.429 4.725 20 0 JJADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCC5(C[C@@H]5CCO)CC4)c23)C1 ZINC001164390641 718811691 /nfs/dbraw/zinc/81/16/91/718811691.db2.gz BAQOJHOVPKKHAH-MOPGFXCFSA-N 1 1 454.684 4.791 20 0 JJADMO CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CCCc4ccccc43)CC2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164386819 718813652 /nfs/dbraw/zinc/81/36/52/718813652.db2.gz AQNXJPKFLCUZBJ-JOCHJYFZSA-N 1 1 490.692 4.755 20 0 JJADMO CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CCCc4ccccc43)CC2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164386820 718813775 /nfs/dbraw/zinc/81/37/75/718813775.db2.gz AQNXJPKFLCUZBJ-QFIPXVFZSA-N 1 1 490.692 4.755 20 0 JJADMO O=C1Nc2ccccc2[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@H]12 ZINC001164402677 718858374 /nfs/dbraw/zinc/85/83/74/718858374.db2.gz LAYSQQLZJRMYEG-UXHICEINSA-N 1 1 473.646 4.728 20 0 JJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3C(=O)Nc4ccccc4[C@@H]3C2)n1 ZINC001164403331 718858848 /nfs/dbraw/zinc/85/88/48/718858848.db2.gz MHNXHJBSBNAXEE-OALUTQOASA-N 1 1 455.587 4.592 20 0 JJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)OCC(=O)N(Cc2cccc(C)n2)[C@H]3C)nc1 ZINC001164427558 718952102 /nfs/dbraw/zinc/95/21/02/718952102.db2.gz FIFKWXCVQMVONM-OZXSUGGESA-N 1 1 491.680 4.509 20 0 JJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)CC2 ZINC001164648753 719311716 /nfs/dbraw/zinc/31/17/16/719311716.db2.gz LDHMSXJPGWXJFJ-UHFFFAOYSA-N 1 1 469.367 4.883 20 0 JJADMO COc1cccc(-c2nc3ccccc3c(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)n2)c1 ZINC001164650971 719316572 /nfs/dbraw/zinc/31/65/72/719316572.db2.gz GKEWDSWCBAWCTK-UHFFFAOYSA-N 1 1 456.594 4.707 20 0 JJADMO COCc1nc2scc(-c3ccccc3)c2c(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)n1 ZINC001164652002 719316600 /nfs/dbraw/zinc/31/66/00/719316600.db2.gz LGUFKNUAOLIYQP-UHFFFAOYSA-N 1 1 476.650 4.906 20 0 JJADMO CC(C)CN1CCN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3)CC1 ZINC001164657196 719336684 /nfs/dbraw/zinc/33/66/84/719336684.db2.gz BCNOQRMULBUUQY-UHFFFAOYSA-N 1 1 455.046 4.535 20 0 JJADMO CCOC[C@@H]1CN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)Cc2nn(CC3CC3)cc21 ZINC001164664785 719363691 /nfs/dbraw/zinc/36/36/91/719363691.db2.gz RMYOLERIRCIGRY-FQEVSTJZSA-N 1 1 480.682 4.651 20 0 JJADMO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(C(F)F)nc4ccc(F)cc42)CC3)cc1 ZINC001164677401 719529365 /nfs/dbraw/zinc/52/93/65/719529365.db2.gz DPCNOUMDQMYWLC-UHFFFAOYSA-N 1 1 460.475 4.717 20 0 JJADMO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(C(F)F)nc4ccc(F)cc42)CC3)cc1 ZINC001164677401 719529378 /nfs/dbraw/zinc/52/93/78/719529378.db2.gz DPCNOUMDQMYWLC-UHFFFAOYSA-N 1 1 460.475 4.717 20 0 JJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc(NC(=O)OC(C)(C)C)c4nc[nH]c42)CC3)cs1 ZINC001164692213 719812638 /nfs/dbraw/zinc/81/26/38/719812638.db2.gz OHFDTRHEJNQULG-UHFFFAOYSA-N 1 1 483.642 4.705 20 0 JJADMO CCc1nc2sc3c(c2c(N2CCC4(CC2)C[N@@H+](Cc2cccs2)CCO4)n1)CCC3 ZINC001164698366 719897803 /nfs/dbraw/zinc/89/78/03/719897803.db2.gz SATIMHYZONDJAT-UHFFFAOYSA-N 1 1 454.665 4.675 20 0 JJADMO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)nc1 ZINC001164706955 719902821 /nfs/dbraw/zinc/90/28/21/719902821.db2.gz MCXQEYICEADRNL-XMMPIXPASA-N 1 1 454.684 4.952 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)nc1 ZINC001164706955 719902828 /nfs/dbraw/zinc/90/28/28/719902828.db2.gz MCXQEYICEADRNL-XMMPIXPASA-N 1 1 454.684 4.952 20 0 JJADMO Clc1ncc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(Oc2ccccc2)n1 ZINC001164705876 719906166 /nfs/dbraw/zinc/90/61/66/719906166.db2.gz DYZOWRWFKVIZBW-UHFFFAOYSA-N 1 1 456.999 4.855 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccc3F)nc3ccc(F)cc31)C2 ZINC001164808469 720092324 /nfs/dbraw/zinc/09/23/24/720092324.db2.gz HQTRRLIAGYESDY-PPHZAIPVSA-N 1 1 464.560 4.760 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccc3F)nc3ccc(F)cc31)C2 ZINC001164808472 720092961 /nfs/dbraw/zinc/09/29/61/720092961.db2.gz HQTRRLIAGYESDY-UZTOHYMASA-N 1 1 464.560 4.760 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)C2 ZINC001164815833 720094178 /nfs/dbraw/zinc/09/41/78/720094178.db2.gz ZZOPADVQWHJJQG-NFBKMPQASA-N 1 1 462.972 4.527 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccnc(Cl)c1Cl)CC2 ZINC001164710706 720099652 /nfs/dbraw/zinc/09/96/52/720099652.db2.gz LFYFBPFDUFTVOD-QGZVFWFLSA-N 1 1 471.379 4.836 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)C2 ZINC001164806714 720100809 /nfs/dbraw/zinc/10/08/09/720100809.db2.gz DAZPDCKURDNZPT-IIBYNOLFSA-N 1 1 471.379 4.666 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)Oc1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164808179 720112676 /nfs/dbraw/zinc/11/26/76/720112676.db2.gz DVWDMKSUOGJMHP-BTYIYWSLSA-N 1 1 487.378 4.546 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc(Cc3ccccc3)n1)CC2 ZINC001164715591 720112991 /nfs/dbraw/zinc/11/29/91/720112991.db2.gz IFXCOIQWPFEISU-QHCPKHFHSA-N 1 1 478.040 4.623 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3cccc(Cl)c31)CC2 ZINC001164718053 720117871 /nfs/dbraw/zinc/11/78/71/720117871.db2.gz RCSDBAPCWSNCDQ-SFHVURJKSA-N 1 1 472.420 4.839 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nnc1-c1ccccc1)CC2 ZINC001164715475 720119182 /nfs/dbraw/zinc/11/91/82/720119182.db2.gz FZXQWOZPEOUCPY-QFIPXVFZSA-N 1 1 464.013 4.700 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)CC2 ZINC001164714936 720125164 /nfs/dbraw/zinc/12/51/64/720125164.db2.gz FRVLQRRCCWMFHG-HXUWFJFHSA-N 1 1 487.044 4.593 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)C2 ZINC001164809719 720126439 /nfs/dbraw/zinc/12/64/39/720126439.db2.gz IMTXQHHBRXLCIC-IIBYNOLFSA-N 1 1 471.379 4.666 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C)nc3c4ccccc4oc31)CC2 ZINC001164718041 720129086 /nfs/dbraw/zinc/12/90/86/720129086.db2.gz QQMBUKOQDRAGSG-OAQYLSRUSA-N 1 1 457.578 4.587 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Oc3ccc(SC)cc3)ncn1)CC2 ZINC001164714784 720134815 /nfs/dbraw/zinc/13/48/15/720134815.db2.gz ZAQKHDMRBRAFPB-QFIPXVFZSA-N 1 1 491.661 4.893 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C)nc3sc4c(c31)CCCC4)CC2 ZINC001164712097 720139001 /nfs/dbraw/zinc/13/90/01/720139001.db2.gz KNDSBXXGUMVGQK-NRFANRHFSA-N 1 1 477.678 4.781 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C)nc3sc4c(c31)CCCC4)CC2 ZINC001164712103 720139011 /nfs/dbraw/zinc/13/90/11/720139011.db2.gz KNDSBXXGUMVGQK-OAQYLSRUSA-N 1 1 477.678 4.781 20 0 JJADMO CCc1nc2sc3c(c2c(N2CCC4(C[C@@H](COC)[N@@H+](Cc5ccccn5)C4)CC2)n1)CCC3 ZINC001164711710 720140458 /nfs/dbraw/zinc/14/04/58/720140458.db2.gz IGUPFICHEPGVGY-FQEVSTJZSA-N 1 1 477.678 4.645 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(F)ccc1Oc1ccc(Cl)nn1)CC2 ZINC001164712503 720141032 /nfs/dbraw/zinc/14/10/32/720141032.db2.gz MXOKSRDSBCVTDQ-NRFANRHFSA-N 1 1 498.002 4.964 20 0 JJADMO CCc1ccc(-c2ccc(N3CCC4(C[C@H](COC)[N@@H+](Cc5ccccn5)C4)CC3)nn2)cc1 ZINC001164711337 720149239 /nfs/dbraw/zinc/14/92/39/720149239.db2.gz HIYUIPNARWPJCR-RUZDIDTESA-N 1 1 457.622 4.609 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C(F)F)nc3ccc(F)cc31)CC2 ZINC001164710447 720151277 /nfs/dbraw/zinc/15/12/77/720151277.db2.gz BMXZCNVUBGARAN-LJQANCHMSA-N 1 1 471.527 4.609 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3c(Cl)ccc(F)c3n1)CC2 ZINC001164710430 720152807 /nfs/dbraw/zinc/15/28/07/720152807.db2.gz BLAXFDOAPLWNIK-IBGZPJMESA-N 1 1 454.977 4.930 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3c(F)cccc13)CC2 ZINC001164714485 720154730 /nfs/dbraw/zinc/15/47/30/720154730.db2.gz PSLDNKSZIGGZPP-IBGZPJMESA-N 1 1 454.977 4.930 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cncc(OCc3cccc(Cl)c3)n1)CC2 ZINC001164713127 720155155 /nfs/dbraw/zinc/15/51/55/720155155.db2.gz REABULPFKPBVDA-XMMPIXPASA-N 1 1 494.039 4.612 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)Sc1ccc(Cl)nc1)CC2 ZINC001164713994 720155794 /nfs/dbraw/zinc/15/57/94/720155794.db2.gz NHGOJPBBSULGHM-GOSISDBHSA-N 1 1 469.001 4.776 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)CC2 ZINC001164711226 720158108 /nfs/dbraw/zinc/15/81/08/720158108.db2.gz ABXGHPXHSKLDPO-OAQYLSRUSA-N 1 1 476.999 4.758 20 0 JJADMO COCc1nc2scc(-c3ccccc3)c2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)n1 ZINC001164812425 720183069 /nfs/dbraw/zinc/18/30/69/720183069.db2.gz ANYPVHXUQYAJHE-IDISGSTGSA-N 1 1 478.662 4.689 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1ccc(Cl)cc1)C2 ZINC001164810173 720197550 /nfs/dbraw/zinc/19/75/50/720197550.db2.gz ABGXMEYLQQXBBO-GAJHUEQPSA-N 1 1 463.409 4.760 20 0 JJADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(-c3ccccc3)nc3ccc(Cl)cc31)CCC2 ZINC001164812598 720226846 /nfs/dbraw/zinc/22/68/46/720226846.db2.gz GZUJULQTOCHPKC-UHFFFAOYSA-N 1 1 489.023 4.757 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@@H]2CCC(=O)N3Cc2csc(C)n2)n1 ZINC001164817949 720258503 /nfs/dbraw/zinc/25/85/03/720258503.db2.gz VFSSYZZWGGQAPN-PMACEKPBSA-N 1 1 498.722 4.685 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC[C@]4(CCN(CC5CC5)C4=O)C3)c2c1C ZINC001164821212 720281520 /nfs/dbraw/zinc/28/15/20/720281520.db2.gz ZDFJCYCDEFXGTP-SANMLTNESA-N 1 1 467.683 4.523 20 0 JJADMO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721352 720353027 /nfs/dbraw/zinc/35/30/27/720353027.db2.gz BTQIMFQHDCQPDX-ROUUACIJSA-N 1 1 450.320 4.730 20 0 JJADMO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164721352 720353034 /nfs/dbraw/zinc/35/30/34/720353034.db2.gz BTQIMFQHDCQPDX-ROUUACIJSA-N 1 1 450.320 4.730 20 0 JJADMO Cc1nc2c(cc(-c3nc(N4CC[C@@H]5[C@H]4CC[N@H+]5Cc4cccnc4)ncc3F)cc2F)n1C(C)C ZINC001164730995 720384869 /nfs/dbraw/zinc/38/48/69/720384869.db2.gz XSHDXGOUZCBFCT-DHIUTWEWSA-N 1 1 489.574 4.909 20 0 JJADMO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723783 720391171 /nfs/dbraw/zinc/39/11/71/720391171.db2.gz HIHIYLPVDINWIL-QZTJIDSGSA-N 1 1 450.320 4.730 20 0 JJADMO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164723783 720391175 /nfs/dbraw/zinc/39/11/75/720391175.db2.gz HIHIYLPVDINWIL-QZTJIDSGSA-N 1 1 450.320 4.730 20 0 JJADMO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730894 720409186 /nfs/dbraw/zinc/40/91/86/720409186.db2.gz JNSBFXXWLAAXPI-YADHBBJMSA-N 1 1 480.971 4.966 20 0 JJADMO c1cncc(C[N@H+]2CC[C@@H]3[C@H]2CCN3c2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)c1 ZINC001164730924 720434842 /nfs/dbraw/zinc/43/48/42/720434842.db2.gz JUBFXCZRUVUPTN-FGZHOGPDSA-N 1 1 468.630 4.880 20 0 JJADMO CSCc1nc2sc3c(c2c(N2CC[C@H]4[C@H]2CC[N@H+]4Cc2cccnc2)n1)CCCC3 ZINC001164734815 720440407 /nfs/dbraw/zinc/44/04/07/720440407.db2.gz UWDROGNGWYYASM-RBUKOAKNSA-N 1 1 451.665 4.681 20 0 JJADMO COc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164727529 720484503 /nfs/dbraw/zinc/48/45/03/720484503.db2.gz NIXZLEGETJOLTG-FGZHOGPDSA-N 1 1 471.939 4.599 20 0 JJADMO COc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164727529 720484517 /nfs/dbraw/zinc/48/45/17/720484517.db2.gz NIXZLEGETJOLTG-FGZHOGPDSA-N 1 1 471.939 4.599 20 0 JJADMO COc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164725797 720485687 /nfs/dbraw/zinc/48/56/87/720485687.db2.gz KLCKGIIHTIDOAG-YADHBBJMSA-N 1 1 471.939 4.599 20 0 JJADMO COc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164725797 720485690 /nfs/dbraw/zinc/48/56/90/720485690.db2.gz KLCKGIIHTIDOAG-YADHBBJMSA-N 1 1 471.939 4.599 20 0 JJADMO Fc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164725270 720486516 /nfs/dbraw/zinc/48/65/16/720486516.db2.gz JCRKUNUDLWOTGG-NHCUHLMSSA-N 1 1 459.903 4.729 20 0 JJADMO Fc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164725270 720486525 /nfs/dbraw/zinc/48/65/25/720486525.db2.gz JCRKUNUDLWOTGG-NHCUHLMSSA-N 1 1 459.903 4.729 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164832393 720523857 /nfs/dbraw/zinc/52/38/57/720523857.db2.gz ANUBNUWFASSRLL-UNWVZKJWSA-N 1 1 486.998 4.916 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)CC[C@@H]21 ZINC001164842034 720538452 /nfs/dbraw/zinc/53/84/52/720538452.db2.gz WEOHCJJCKQGOSY-KNBMTAEXSA-N 1 1 478.950 4.542 20 0 JJADMO CSc1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1Cl ZINC001164837395 720558062 /nfs/dbraw/zinc/55/80/62/720558062.db2.gz MFSQJVHOWIFWGD-IXDOHACOSA-N 1 1 456.006 4.576 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(-c4ccc(C5OCCCO5)cc4)cn3)CC[C@@H]21 ZINC001164842185 720582627 /nfs/dbraw/zinc/58/26/27/720582627.db2.gz UIIKYVRKWNMANW-QKDODKLFSA-N 1 1 487.648 4.758 20 0 JJADMO CSc1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164836782 720591294 /nfs/dbraw/zinc/59/12/94/720591294.db2.gz GWLBNKDVELBPSU-JTDSTZFVSA-N 1 1 456.006 4.576 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(-c4ccsc4)nc4ccccc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839756 720607365 /nfs/dbraw/zinc/60/73/65/720607365.db2.gz OLZPEDDAERCCLI-AWRGLXIESA-N 1 1 458.635 4.933 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)CC[C@@H]21 ZINC001164844188 720610041 /nfs/dbraw/zinc/61/00/41/720610041.db2.gz ZTBOZWMEOZJPOM-JTAQYXEDSA-N 1 1 486.998 4.916 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(Cl)nc(-c4ccc(F)cc4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842195 720619294 /nfs/dbraw/zinc/61/92/94/720619294.db2.gz UJLLDCAPRFTSLK-HLAWJBBLSA-N 1 1 454.981 4.510 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(-c4ccc(Cl)nn4)ccc3F)CC[C@@H]21 ZINC001164837733 720621217 /nfs/dbraw/zinc/62/12/17/720621217.db2.gz ISKUOSITHKREGK-IPJJNNNSSA-N 1 1 454.981 4.510 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)CC[C@@H]21 ZINC001164838322 720630446 /nfs/dbraw/zinc/63/04/46/720630446.db2.gz KTLYANVWOBVAGG-RRPUWOKSSA-N 1 1 486.998 4.916 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)CC[C@@H]21 ZINC001164836594 720630775 /nfs/dbraw/zinc/63/07/75/720630775.db2.gz FXYJXJNDPLRIQR-NWSQWKLXSA-N 1 1 486.998 4.916 20 0 JJADMO COc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc1 ZINC001164840460 720644343 /nfs/dbraw/zinc/64/43/43/720644343.db2.gz MPUNEOIEVQIQDJ-XQBPLPMBSA-N 1 1 483.016 4.505 20 0 JJADMO COCc1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(-c2ccccc2)n1 ZINC001164836948 720664488 /nfs/dbraw/zinc/66/44/88/720664488.db2.gz AIAUOZTVZLXFKD-VWLOTQADSA-N 1 1 458.606 4.550 20 0 JJADMO COc1cc2nc(Cl)nc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2cc1OC ZINC001164845354 720681640 /nfs/dbraw/zinc/68/16/40/720681640.db2.gz YQCSTSMSBLKRKS-IBGZPJMESA-N 1 1 483.012 4.560 20 0 JJADMO Clc1nc(-c2ccccc2)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1-c1ccccc1 ZINC001164742582 720693665 /nfs/dbraw/zinc/69/36/65/720693665.db2.gz VUJGFMLUNJLSOZ-FCHUYYIVSA-N 1 1 484.991 4.596 20 0 JJADMO COc1cccc(Oc2cncc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)n2)c1 ZINC001164841784 720702671 /nfs/dbraw/zinc/70/26/71/720702671.db2.gz XAENUMNTWVNLCW-JOCHJYFZSA-N 1 1 460.578 4.537 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(-c3nc(C(C)(C)C)no3)ccn1)CC2 ZINC001164838207 720707150 /nfs/dbraw/zinc/70/71/50/720707150.db2.gz HMTVSIHMZHJNGZ-JOCHJYFZSA-N 1 1 461.610 4.689 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc3ccn(C(=O)c4ccccc4)c3n1)CC2 ZINC001164842343 720708357 /nfs/dbraw/zinc/70/83/57/720708357.db2.gz YNJAISORADPWSZ-SANMLTNESA-N 1 1 480.612 4.985 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc3c(Cl)nccc31)CC2 ZINC001164842894 720710440 /nfs/dbraw/zinc/71/04/40/720710440.db2.gz ZXQAPKLUCPPWJP-KRWDZBQOSA-N 1 1 458.393 4.592 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(C(=O)NC3CCCC3)cc1Cl)CC2 ZINC001164839733 720715067 /nfs/dbraw/zinc/71/50/67/720715067.db2.gz MRGWBIKCCVUUAC-QHCPKHFHSA-N 1 1 483.056 4.667 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cncc(OCc3cccc(Cl)c3)n1)CC2 ZINC001164837657 720726382 /nfs/dbraw/zinc/72/63/82/720726382.db2.gz FWZZPSPWTIGSQZ-DEOSSOPVSA-N 1 1 479.024 4.969 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)COC(=O)Nc1cccnc1Cl)CC2 ZINC001164837036 720726785 /nfs/dbraw/zinc/72/67/85/720726785.db2.gz CZUZSFRSLQOFBW-IBGZPJMESA-N 1 1 494.970 4.632 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@H]32)n1 ZINC001164848949 720776861 /nfs/dbraw/zinc/77/68/61/720776861.db2.gz RIGCCCSSLFTIDT-ZRBLBEILSA-N 1 1 495.693 4.888 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)n1 ZINC001164848948 720777550 /nfs/dbraw/zinc/77/75/50/720777550.db2.gz RIGCCCSSLFTIDT-ZLNRFVROSA-N 1 1 495.693 4.888 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@]4(CCN(Cc5cccc(C)c5)C4=O)C3)c2c1C ZINC001164848521 720807988 /nfs/dbraw/zinc/80/79/88/720807988.db2.gz CVPCFLSXMCOYCK-MUUNZHRXSA-N 1 1 489.689 4.841 20 0 JJADMO c1ncn(C[C@@H]2C[C@H]3CN(c4nc(-c5ccccc5)cc(-c5ccccc5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164741474 720820436 /nfs/dbraw/zinc/82/04/36/720820436.db2.gz NVUWWCXQDRCFGQ-QXTIUPHPSA-N 1 1 491.643 4.782 20 0 JJADMO c1ncn(C[C@@H]2C[C@H]3CN(c4cnc(-c5ccccc5)c(-c5ccccc5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164737702 720826613 /nfs/dbraw/zinc/82/66/13/720826613.db2.gz CDRAZVYFMXSGIM-GMQQYTKMSA-N 1 1 491.643 4.782 20 0 JJADMO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)cc1 ZINC001164745158 720836918 /nfs/dbraw/zinc/83/69/18/720836918.db2.gz MAELMRLXHVLCPK-CLCZQPDDSA-N 1 1 479.632 4.576 20 0 JJADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748300 720837371 /nfs/dbraw/zinc/83/73/71/720837371.db2.gz SXCUKBITBKPMLH-FUHIMQAGSA-N 1 1 487.435 4.521 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c3ccccc32)cc1 ZINC001164750276 720845673 /nfs/dbraw/zinc/84/56/73/720845673.db2.gz WYSCEFBHGBUKPJ-FKCDAAJZSA-N 1 1 479.632 4.576 20 0 JJADMO Clc1ccc(Cl)c2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ccc12 ZINC001164747149 720856701 /nfs/dbraw/zinc/85/67/01/720856701.db2.gz HZPWCMYHWILWHL-XGHQBKJUSA-N 1 1 457.409 4.513 20 0 JJADMO Clc1ccc2ccc(Cl)c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2n1 ZINC001164751135 720857074 /nfs/dbraw/zinc/85/70/74/720857074.db2.gz QHMGHXUVKQLJGW-WSTZPKSXSA-N 1 1 457.409 4.513 20 0 JJADMO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164753057 720862034 /nfs/dbraw/zinc/86/20/34/720862034.db2.gz VSUICSNHJFEIMZ-SELNLUPBSA-N 1 1 491.030 4.520 20 0 JJADMO Cc1nc([C@@H]2COCCN2c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)cs1 ZINC001164753017 720864752 /nfs/dbraw/zinc/86/47/52/720864752.db2.gz VBIDZXXHOXGBKA-SFHVURJKSA-N 1 1 455.653 4.509 20 0 JJADMO COc1ccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c(C)cc2c1 ZINC001164754913 720869608 /nfs/dbraw/zinc/86/96/08/720869608.db2.gz UMUYZZUZKYUCQF-SVEHJYQDSA-N 1 1 472.633 4.702 20 0 JJADMO Clc1cc(-c2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2)ccn1 ZINC001164752463 720880285 /nfs/dbraw/zinc/88/02/85/720880285.db2.gz NBDZKCMYWDOFOY-LEAFIULHSA-N 1 1 490.051 4.947 20 0 JJADMO COCC[N@H+]1CCO[C@@H]2CN(c3nnc(-c4ccc(Cl)c(Cl)c4)c4ccccc43)CC[C@@H]2C1 ZINC001164863937 720882878 /nfs/dbraw/zinc/88/28/78/720882878.db2.gz UYOFKQAVFUDSKM-WZONZLPQSA-N 1 1 487.431 4.777 20 0 JJADMO CSc1nc2ccsc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164758149 720886250 /nfs/dbraw/zinc/88/62/50/720886250.db2.gz XDMYLYJVHCEAPU-NBGIEHNGSA-N 1 1 481.691 4.563 20 0 JJADMO CSc1nc2ccsc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164758150 720886305 /nfs/dbraw/zinc/88/63/05/720886305.db2.gz XDMYLYJVHCEAPU-NLFFAJNJSA-N 1 1 481.691 4.563 20 0 JJADMO Cc1ccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c(Cl)nc2c1 ZINC001164758417 720886812 /nfs/dbraw/zinc/88/68/12/720886812.db2.gz XVTHCEVSVUCPDX-CUNXSJBXSA-N 1 1 478.040 4.742 20 0 JJADMO Cc1ccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c(Cl)nc2c1 ZINC001164758418 720887142 /nfs/dbraw/zinc/88/71/42/720887142.db2.gz XVTHCEVSVUCPDX-WXVAWEFUSA-N 1 1 478.040 4.742 20 0 JJADMO Clc1nc2c(c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)CCCCC2 ZINC001164752509 720887782 /nfs/dbraw/zinc/88/77/82/720887782.db2.gz DVYLKYPPRROLML-AJTFRIOCSA-N 1 1 482.072 4.549 20 0 JJADMO Fc1cnc(Cl)cc1C(F)(F)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756056 720889296 /nfs/dbraw/zinc/88/92/96/720889296.db2.gz OHBVJNUNSFAEQJ-XXBNENTESA-N 1 1 480.962 4.569 20 0 JJADMO Clc1cccc(-c2cccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)n1 ZINC001164749847 720890301 /nfs/dbraw/zinc/89/03/01/720890301.db2.gz ASXZXZNKQRHKQZ-FIPFOOKPSA-N 1 1 490.051 4.947 20 0 JJADMO CSc1ccnc(Cl)c1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757819 720896336 /nfs/dbraw/zinc/89/63/36/720896336.db2.gz VSVHVPASZHKSSM-YKSBVNFPSA-N 1 1 459.059 4.607 20 0 JJADMO COc1ccc2c(C)cc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2c1 ZINC001164757856 720896352 /nfs/dbraw/zinc/89/63/52/720896352.db2.gz VXSYVWXJFSFVSD-FUFSCUOVSA-N 1 1 472.633 4.702 20 0 JJADMO COc1ccc2c(C)cc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2c1 ZINC001164757857 720896725 /nfs/dbraw/zinc/89/67/25/720896725.db2.gz VXSYVWXJFSFVSD-GIGWZHCTSA-N 1 1 472.633 4.702 20 0 JJADMO Cc1nc2c3ccccc3oc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753450 720897122 /nfs/dbraw/zinc/89/71/22/720897122.db2.gz GVSHKLPTBIRZNV-MUAVYFROSA-N 1 1 483.616 4.835 20 0 JJADMO c1ccc(COc2cccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)cc1 ZINC001164753885 720900537 /nfs/dbraw/zinc/90/05/37/720900537.db2.gz HOTQATZODNNQST-OFSOJUDTSA-N 1 1 484.644 4.811 20 0 JJADMO CSc1cc(Cl)cnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754238 720905918 /nfs/dbraw/zinc/90/59/18/720905918.db2.gz VBCSCGVSQSSGGY-RDPSFJRHSA-N 1 1 459.059 4.607 20 0 JJADMO Clc1cccc(-c2cc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncn2)c1 ZINC001164746490 720916176 /nfs/dbraw/zinc/91/61/76/720916176.db2.gz AYSUBMWCHBNGFT-RBJSKKJNSA-N 1 1 490.051 4.947 20 0 JJADMO FC(F)c1nc2ccccc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755184 720919452 /nfs/dbraw/zinc/91/94/52/720919452.db2.gz ZJGVTNCFWDPXGC-ZBLYBZFDSA-N 1 1 479.575 4.718 20 0 JJADMO CCN(c1ccccc1)c1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164749094 720925765 /nfs/dbraw/zinc/92/57/65/720925765.db2.gz HSGAXAWGICVWQU-FREGXXQWSA-N 1 1 498.675 4.785 20 0 JJADMO Cc1cc(OCc2ccccc2)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754295 720929618 /nfs/dbraw/zinc/92/96/18/720929618.db2.gz WAUIJMXFZWSHEN-OFSOJUDTSA-N 1 1 499.659 4.514 20 0 JJADMO CSc1ccc2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164751320 720932558 /nfs/dbraw/zinc/93/25/58/720932558.db2.gz LIHPBWSWCQRLDF-AMGIVPHBSA-N 1 1 475.662 4.502 20 0 JJADMO CSc1ccc2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164751318 720932573 /nfs/dbraw/zinc/93/25/73/720932573.db2.gz LIHPBWSWCQRLDF-AJTFRIOCSA-N 1 1 475.662 4.502 20 0 JJADMO Cc1c(Cl)nc(C2CCC2)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747406 720935337 /nfs/dbraw/zinc/93/53/37/720935337.db2.gz CZEAOYVPIPANSK-KCWPFWIISA-N 1 1 482.072 4.856 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)[C@@H]2C ZINC001164864220 721004394 /nfs/dbraw/zinc/00/43/94/721004394.db2.gz ZVBHCCXEXOOUEN-MRXNPFEDSA-N 1 1 460.960 4.960 20 0 JJADMO COc1ccc(-c2cc(C(F)(F)N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)c(Cl)nn2)cc1 ZINC001164861723 721022946 /nfs/dbraw/zinc/02/29/46/721022946.db2.gz PHJORZOFHMHDMY-INIZCTEOSA-N 1 1 490.986 4.968 20 0 JJADMO CCn1nnc2c1CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)[C@H]2COCc1ccccc1 ZINC001164774595 721047969 /nfs/dbraw/zinc/04/79/69/721047969.db2.gz XACFQMWYGQTBKF-NDEPHWFRSA-N 1 1 494.643 4.572 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(-c5ccc(F)cc5)nc5ccc(Cl)cc54)C[C@@H]3C2)cn1 ZINC001164772189 721098581 /nfs/dbraw/zinc/09/85/81/721098581.db2.gz USJGUILZEMCVQF-PMACEKPBSA-N 1 1 476.987 4.781 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5ccc(F)cc5)nc5ccc(Cl)cc54)C[C@H]3C2)cn1 ZINC001164772193 721100829 /nfs/dbraw/zinc/10/08/29/721100829.db2.gz USJGUILZEMCVQF-WOJBJXKFSA-N 1 1 476.987 4.781 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccc5nc(Cl)cc(Cl)c5c4)C[C@H]3C2)cn1 ZINC001164770599 721116243 /nfs/dbraw/zinc/11/62/43/721116243.db2.gz RELBOINYQSDZQA-JKSUJKDBSA-N 1 1 466.363 4.778 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccc5nc(Cl)cc(Cl)c5c4)C[C@@H]3C2)cn1 ZINC001164770597 721117053 /nfs/dbraw/zinc/11/70/53/721117053.db2.gz RELBOINYQSDZQA-HOTGVXAUSA-N 1 1 466.363 4.778 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)nc(-c5ccc(-c6ccccc6)cc5)n4)C[C@@H]3C2)cn1 ZINC001164772789 721133894 /nfs/dbraw/zinc/13/38/94/721133894.db2.gz WXWGCZJSDGVWNQ-ZEQRLZLVSA-N 1 1 486.023 4.551 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c3ccccc32)cc1C ZINC001164878875 721141684 /nfs/dbraw/zinc/14/16/84/721141684.db2.gz QTYGHDNZUXZVBZ-DQEYMECFSA-N 1 1 465.601 4.788 20 0 JJADMO c1csc(-c2nc3sc4c(c3c(N3CC[N@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C3)n2)CCC4)c1 ZINC001164872675 721143863 /nfs/dbraw/zinc/14/38/63/721143863.db2.gz IBYMHIVHNSPSIN-RTBURBONSA-N 1 1 489.670 4.783 20 0 JJADMO Cc1sc2nc(-c3cccs3)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1C ZINC001164874471 721144337 /nfs/dbraw/zinc/14/43/37/721144337.db2.gz KBYKZAPHSNBSKZ-UXHICEINSA-N 1 1 477.659 4.911 20 0 JJADMO c1csc(-c2nc3sc4c(c3c(N3CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@H]5C3)n2)CCC4)c1 ZINC001164872667 721145318 /nfs/dbraw/zinc/14/53/18/721145318.db2.gz IBYMHIVHNSPSIN-OALUTQOASA-N 1 1 489.670 4.783 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(-c5ccc(F)cc5)nc5cc(Cl)ccc54)C[C@@H]3C2)cn1 ZINC001164763379 721153155 /nfs/dbraw/zinc/15/31/55/721153155.db2.gz FJEJLZFHFIZNQR-PMACEKPBSA-N 1 1 476.987 4.781 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)nc5sc(-c6ccccc6)cc54)C[C@@H]3C2)cn1 ZINC001164767652 721172221 /nfs/dbraw/zinc/17/22/21/721172221.db2.gz KHMGGSPMTIGESS-OALUTQOASA-N 1 1 465.026 4.704 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(-c5ccccc5)nc(-c5cccs5)n4)C[C@@H]3C2)cn1 ZINC001164764236 721215734 /nfs/dbraw/zinc/21/57/34/721215734.db2.gz GPBDANDZMMXRAY-VXKWHMMOSA-N 1 1 456.619 4.564 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(F)c5)c4)C[C@H]3C2)cn1 ZINC001164773849 721224452 /nfs/dbraw/zinc/22/44/52/721224452.db2.gz XJUQZDLGACZVMD-RTBURBONSA-N 1 1 475.946 4.778 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3O[C@H](COc4cccnc4)CC[C@@H]32)n1 ZINC001164880145 721251194 /nfs/dbraw/zinc/25/11/94/721251194.db2.gz ZXVZQETXVUEKQU-FKBYEOEOSA-N 1 1 481.666 4.750 20 0 JJADMO Cc1nc2c(cc(-c3nc(N4CC5(C4)CC[N@@H+](CC4CC4)C5)ncc3F)cc2F)n1C(C)C ZINC001164774163 721288257 /nfs/dbraw/zinc/28/82/57/721288257.db2.gz XTDNXHMJAMEDSG-UHFFFAOYSA-N 1 1 452.553 4.583 20 0 JJADMO COc1cccc(-c2cc(C(F)(F)N3CCC4(CC(N(C)C)=[NH+]O4)CC3)cnc2Cl)c1 ZINC001164877354 721327816 /nfs/dbraw/zinc/32/78/16/721327816.db2.gz SXUCCHQPQXENGI-UHFFFAOYSA-N 1 1 450.917 4.590 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)nc1 ZINC001164777699 721327817 /nfs/dbraw/zinc/32/78/17/721327817.db2.gz PJHAURXSJIDONU-FYYLOGMGSA-N 1 1 454.590 4.760 20 0 JJADMO O=C(CC1CCC2(CC1)CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2)N1CC=CC1 ZINC001164778885 721328153 /nfs/dbraw/zinc/32/81/53/721328153.db2.gz ZZNZFRDJBLIQPQ-UHFFFAOYSA-N 1 1 457.062 4.896 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4sc(C(C)C)cc43)C2)C1 ZINC001164778674 721331757 /nfs/dbraw/zinc/33/17/57/721331757.db2.gz YBJFDZMBZAQHDM-DEOSSOPVSA-N 1 1 455.628 4.539 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)ncc3Cl)C2)C1 ZINC001164777404 721336176 /nfs/dbraw/zinc/33/61/76/721336176.db2.gz MZARKFMMIDTXRD-FQEVSTJZSA-N 1 1 475.367 4.657 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)ncc3Cl)C2)C1 ZINC001164777404 721336183 /nfs/dbraw/zinc/33/61/83/721336183.db2.gz MZARKFMMIDTXRD-FQEVSTJZSA-N 1 1 475.367 4.657 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4ccc(Cl)cc4nc3Cl)C2)C1 ZINC001164778772 721344998 /nfs/dbraw/zinc/34/49/98/721344998.db2.gz OLNUEAKEPWKUQZ-QHCPKHFHSA-N 1 1 476.408 4.660 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc4ccc(Cl)cc4nc3Cl)C2)C1 ZINC001164778772 721345001 /nfs/dbraw/zinc/34/50/01/721345001.db2.gz OLNUEAKEPWKUQZ-QHCPKHFHSA-N 1 1 476.408 4.660 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4nc(Cl)cnc4c3)C2)C1 ZINC001164777279 721347829 /nfs/dbraw/zinc/34/78/29/721347829.db2.gz FGKYUTLUGDWEBR-QHCPKHFHSA-N 1 1 491.970 4.552 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4nc(Cl)cnc4c3)C2)C1 ZINC001164777279 721347834 /nfs/dbraw/zinc/34/78/34/721347834.db2.gz FGKYUTLUGDWEBR-QHCPKHFHSA-N 1 1 491.970 4.552 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3c(Cl)ncc(Cl)c3Cl)C2)C1 ZINC001164776855 721352590 /nfs/dbraw/zinc/35/25/90/721352590.db2.gz DMHLTXKZGVNOKA-HXUWFJFHSA-N 1 1 459.805 4.766 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3c(Cl)ncc(Cl)c3Cl)C2)C1 ZINC001164776855 721352592 /nfs/dbraw/zinc/35/25/92/721352592.db2.gz DMHLTXKZGVNOKA-HXUWFJFHSA-N 1 1 459.805 4.766 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cncc(Sc4cccc(C)c4)n3)C2)C1 ZINC001164782295 721362296 /nfs/dbraw/zinc/36/22/96/721362296.db2.gz MPJURRNFIMTQMD-AREMUKBSSA-N 1 1 479.650 4.660 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cncc(Sc4cccc(C)c4)n3)C2)C1 ZINC001164782295 721362297 /nfs/dbraw/zinc/36/22/97/721362297.db2.gz MPJURRNFIMTQMD-AREMUKBSSA-N 1 1 479.650 4.660 20 0 JJADMO CSc1ccc(Oc2cc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)ncn2)cc1 ZINC001164783927 721362406 /nfs/dbraw/zinc/36/24/06/721362406.db2.gz PZCBSBLKSLAKTA-SANMLTNESA-N 1 1 495.649 4.715 20 0 JJADMO CSc1ccc(Oc2cc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)ncn2)cc1 ZINC001164783927 721362411 /nfs/dbraw/zinc/36/24/11/721362411.db2.gz PZCBSBLKSLAKTA-SANMLTNESA-N 1 1 495.649 4.715 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(C(C)(C)C)nc(C(C)(C)C)n3)C2)C1 ZINC001164786089 721365796 /nfs/dbraw/zinc/36/57/96/721365796.db2.gz WDFRHOSHNVKBJT-HHHXNRCGSA-N 1 1 469.674 4.795 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cccc4c(Cl)ncnc43)C2)C1 ZINC001164780006 721367644 /nfs/dbraw/zinc/36/76/44/721367644.db2.gz BWECLERJGQNHOC-QHCPKHFHSA-N 1 1 491.970 4.552 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cccc4c(Cl)ncnc43)C2)C1 ZINC001164780006 721367647 /nfs/dbraw/zinc/36/76/47/721367647.db2.gz BWECLERJGQNHOC-QHCPKHFHSA-N 1 1 491.970 4.552 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C(C)C)nc(C(C)(C)C)n3)C2)C1 ZINC001164786169 721369801 /nfs/dbraw/zinc/36/98/01/721369801.db2.gz WRXAVIIOIONADU-AREMUKBSSA-N 1 1 455.647 4.621 20 0 JJADMO CC[C@H](C)c1nc(Cl)c(C)c(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164786963 721373081 /nfs/dbraw/zinc/37/30/81/721373081.db2.gz VYBQKKWOKAUZIW-FYSMJZIKSA-N 1 1 462.038 4.676 20 0 JJADMO CC[C@H](C)c1nc(Cl)c(C)c(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164786963 721373085 /nfs/dbraw/zinc/37/30/85/721373085.db2.gz VYBQKKWOKAUZIW-FYSMJZIKSA-N 1 1 462.038 4.676 20 0 JJADMO CC[C@H](C)c1nc(Cl)c(C)c(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164786965 721373805 /nfs/dbraw/zinc/37/38/05/721373805.db2.gz VYBQKKWOKAUZIW-UPCLLVRISA-N 1 1 462.038 4.676 20 0 JJADMO CC[C@H](C)c1nc(Cl)c(C)c(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164786965 721373812 /nfs/dbraw/zinc/37/38/12/721373812.db2.gz VYBQKKWOKAUZIW-UPCLLVRISA-N 1 1 462.038 4.676 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3cccc(C)c3)C2)C1 ZINC001164782473 721374667 /nfs/dbraw/zinc/37/46/67/721374667.db2.gz LYRSKRXPZPMSBT-AREMUKBSSA-N 1 1 498.027 4.955 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3cccc(C)c3)C2)C1 ZINC001164782473 721374676 /nfs/dbraw/zinc/37/46/76/721374676.db2.gz LYRSKRXPZPMSBT-AREMUKBSSA-N 1 1 498.027 4.955 20 0 JJADMO COc1cc2cnc(Cl)cc2cc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164786179 721377113 /nfs/dbraw/zinc/37/71/13/721377113.db2.gz UFIJEKJPCAANQM-VWLOTQADSA-N 1 1 471.001 4.621 20 0 JJADMO c1ccc(C[N@H+]2CCc3nc(N4CCO[C@@]5(CCC[C@H]5COCc5ccncc5)C4)ccc3C2)cc1 ZINC001164780356 721383764 /nfs/dbraw/zinc/38/37/64/721383764.db2.gz GKNHROBAIZHETE-FIBWVYCGSA-N 1 1 484.644 4.627 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5ccccc5)cc(-c5ccccc5)n4)C3)O2)CC1 ZINC001164886793 721398198 /nfs/dbraw/zinc/39/81/98/721398198.db2.gz GIBPXZDIGQBJBJ-YZNIXAGQSA-N 1 1 483.660 4.576 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc5nc(Cl)cc(Cl)c5c4)C3)O2)CC1 ZINC001164887685 721404664 /nfs/dbraw/zinc/40/46/64/721404664.db2.gz MEYSSLWXWJUMNR-WZONZLPQSA-N 1 1 499.433 4.852 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5ccccc5)nc5ccc(Cl)cc54)C3)O2)CC1 ZINC001164887238 721419861 /nfs/dbraw/zinc/41/98/61/721419861.db2.gz LPYPIHVUCSJMCO-FIPFOOKPSA-N 1 1 492.067 4.716 20 0 JJADMO FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164783360 721431239 /nfs/dbraw/zinc/43/12/39/721431239.db2.gz IKNQVLQDJOLTFK-ROUUACIJSA-N 1 1 476.980 4.884 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc5ccc(Cl)cc5c(-c5ccccc5)n4)C3)O2)CC1 ZINC001164898359 721433457 /nfs/dbraw/zinc/43/34/57/721433457.db2.gz VUHVOYDOSRINJE-FIPFOOKPSA-N 1 1 492.067 4.716 20 0 JJADMO COc1ccc2c(c1)nc(N1CC[C@@]3(C1)CCC[C@H](CN1CC[NH+](C)CC1)O3)cc2-c1ccccc1 ZINC001164898348 721434578 /nfs/dbraw/zinc/43/45/78/721434578.db2.gz VTJKIZXKHANZFB-FYBSXPHGSA-N 1 1 486.660 4.676 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncnc5cc(-c6ccc(Cl)cc6)sc54)C3)O2)CC1 ZINC001164896850 721434632 /nfs/dbraw/zinc/43/46/32/721434632.db2.gz SFYZLHSYWGXBAA-QFQXNSOFSA-N 1 1 498.096 4.777 20 0 JJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@]3(CCC[C@@H]3COCc3csc(C)n3)C2)nc1 ZINC001164787512 721445538 /nfs/dbraw/zinc/44/55/38/721445538.db2.gz XHJJPQDSKHWYCZ-NOOIUNMQSA-N 1 1 470.683 4.986 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3c(Cl)cccc31)CC2 ZINC001164789854 721458331 /nfs/dbraw/zinc/45/83/31/721458331.db2.gz XSLXOVOFVUTWLQ-GOSISDBHSA-N 1 1 479.452 4.671 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3cc(Cl)c(Cl)cc31)CC2 ZINC001164783588 721463492 /nfs/dbraw/zinc/46/34/92/721463492.db2.gz DODSTLPZTIKUIL-GOSISDBHSA-N 1 1 479.452 4.671 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(F)ccc1-c1ccc(Cl)nn1)CC2 ZINC001164787376 721469044 /nfs/dbraw/zinc/46/90/44/721469044.db2.gz FDFVNJNTZASXCC-OAQYLSRUSA-N 1 1 489.035 4.670 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)CC2 ZINC001164787957 721473778 /nfs/dbraw/zinc/47/37/78/721473778.db2.gz GSFFSIQAPGWNGU-NRFANRHFSA-N 1 1 484.031 4.891 20 0 JJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)CC2 ZINC001164792004 721492559 /nfs/dbraw/zinc/49/25/59/721492559.db2.gz JDILQGIYKGOJBJ-UHFFFAOYSA-N 1 1 489.067 4.922 20 0 JJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3c1ccn3Cc1ccc(F)cc1)CC2 ZINC001164791957 721496803 /nfs/dbraw/zinc/49/68/03/721496803.db2.gz GSIQYXQLXPLBNN-UHFFFAOYSA-N 1 1 470.596 4.895 20 0 JJADMO CCOC(=O)c1cc2c(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)[nH]c(C)c(C)c-2n1 ZINC001164791926 721497518 /nfs/dbraw/zinc/49/75/18/721497518.db2.gz FCEARTROELBMMK-UHFFFAOYSA-N 1 1 461.610 4.632 20 0 JJADMO Cc1ccc(-c2nc3c(ncnc3N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)o2)cc1 ZINC001164795438 721501038 /nfs/dbraw/zinc/50/10/38/721501038.db2.gz HAEFLQHRNJJVBW-UHFFFAOYSA-N 1 1 454.578 4.869 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)[C@H]2CCCO[C@H]12 ZINC001164806108 721545779 /nfs/dbraw/zinc/54/57/79/721545779.db2.gz NUTKJHMNXMLVJP-ZCNNSNEGSA-N 1 1 494.373 4.745 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)[C@H]2CCCO[C@H]12 ZINC001164806108 721545781 /nfs/dbraw/zinc/54/57/81/721545781.db2.gz NUTKJHMNXMLVJP-ZCNNSNEGSA-N 1 1 494.373 4.745 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)[C@H]2CCCO[C@@H]12 ZINC001164809417 721559073 /nfs/dbraw/zinc/55/90/73/721559073.db2.gz XEBBSJNUUZFLAR-NLWGTHIKSA-N 1 1 494.373 4.745 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)[C@H]2CCCO[C@@H]12 ZINC001164809417 721559078 /nfs/dbraw/zinc/55/90/78/721559078.db2.gz XEBBSJNUUZFLAR-NLWGTHIKSA-N 1 1 494.373 4.745 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)[C@@H]2CCCO[C@H]12 ZINC001164802324 721560087 /nfs/dbraw/zinc/56/00/87/721560087.db2.gz IBYMPASVKCAJHH-AQNXPRMDSA-N 1 1 494.373 4.745 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)[C@@H]2CCCO[C@H]12 ZINC001164802324 721560089 /nfs/dbraw/zinc/56/00/89/721560089.db2.gz IBYMPASVKCAJHH-AQNXPRMDSA-N 1 1 494.373 4.745 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)[C@H]2CCCO[C@@H]12 ZINC001164802329 721560095 /nfs/dbraw/zinc/56/00/95/721560095.db2.gz IBYMPASVKCAJHH-XUVXKRRUSA-N 1 1 494.373 4.745 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)[C@H]2CCCO[C@@H]12 ZINC001164802329 721560099 /nfs/dbraw/zinc/56/00/99/721560099.db2.gz IBYMPASVKCAJHH-XUVXKRRUSA-N 1 1 494.373 4.745 20 0 JJADMO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccnc5)c4)CC[N@H+]3C2)c1 ZINC001164910226 721562043 /nfs/dbraw/zinc/56/20/43/721562043.db2.gz WBHRVMZMWQTPHQ-FPOVZHCZSA-N 1 1 474.914 4.823 20 0 JJADMO Cc1nc2sc3c(c2c(N2C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]42)n1)CCCCC3 ZINC001164809621 721578357 /nfs/dbraw/zinc/57/83/57/721578357.db2.gz UGLQPNVLWQLLBD-AWRGLXIESA-N 1 1 463.651 4.532 20 0 JJADMO Cc1nc2sc3c(c2c(N2C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]42)n1)CCCCC3 ZINC001164809621 721578360 /nfs/dbraw/zinc/57/83/60/721578360.db2.gz UGLQPNVLWQLLBD-AWRGLXIESA-N 1 1 463.651 4.532 20 0 JJADMO Cc1ccc(-c2nc3ccccc3c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)n2)s1 ZINC001164810862 721582506 /nfs/dbraw/zinc/58/25/06/721582506.db2.gz WNFJITMEJMAMBJ-CUYJMHBOSA-N 1 1 471.630 4.930 20 0 JJADMO Cc1ccc(-c2nc3ccccc3c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)n2)s1 ZINC001164810862 721582507 /nfs/dbraw/zinc/58/25/07/721582507.db2.gz WNFJITMEJMAMBJ-CUYJMHBOSA-N 1 1 471.630 4.930 20 0 JJADMO Cc1nc(-c2ccccc2Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1C ZINC001164811500 721585058 /nfs/dbraw/zinc/58/50/58/721585058.db2.gz XUBIPKIWRIHLOX-TZRRMPRUSA-N 1 1 464.013 4.677 20 0 JJADMO CSc1nc(Cl)cc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908010 721586059 /nfs/dbraw/zinc/58/60/59/721586059.db2.gz XZFGYFFIBCRTGL-SFHVURJKSA-N 1 1 475.943 4.530 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)nc2C(F)(F)F)[C@@H]2CCCO[C@H]12 ZINC001164810962 721587837 /nfs/dbraw/zinc/58/78/37/721587837.db2.gz WTIYVUMVUGWAMY-NUJGCVRESA-N 1 1 476.877 4.562 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)nc2C(F)(F)F)[C@@H]2CCCO[C@H]12 ZINC001164810962 721587839 /nfs/dbraw/zinc/58/78/39/721587839.db2.gz WTIYVUMVUGWAMY-NUJGCVRESA-N 1 1 476.877 4.562 20 0 JJADMO CCc1cccc(Oc2nc(Cl)ncc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC001164810828 721589591 /nfs/dbraw/zinc/58/95/91/721589591.db2.gz WIRWEWRHHMCWKG-NHTMILBNSA-N 1 1 480.012 4.748 20 0 JJADMO CCc1cccc(Oc2nc(Cl)ncc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC001164810828 721589594 /nfs/dbraw/zinc/58/95/94/721589594.db2.gz WIRWEWRHHMCWKG-NHTMILBNSA-N 1 1 480.012 4.748 20 0 JJADMO CCc1cccc(Oc2nc(Cl)ncc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164810833 721589979 /nfs/dbraw/zinc/58/99/79/721589979.db2.gz WIRWEWRHHMCWKG-XWGVYQGASA-N 1 1 480.012 4.748 20 0 JJADMO CCc1cccc(Oc2nc(Cl)ncc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164810833 721589981 /nfs/dbraw/zinc/58/99/81/721589981.db2.gz WIRWEWRHHMCWKG-XWGVYQGASA-N 1 1 480.012 4.748 20 0 JJADMO CCc1ccc(Oc2nc(Cl)ncc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)cc1 ZINC001164804088 721590470 /nfs/dbraw/zinc/59/04/70/721590470.db2.gz IHIHUWSFOHCISZ-XWGVYQGASA-N 1 1 480.012 4.748 20 0 JJADMO CCc1ccc(Oc2nc(Cl)ncc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)cc1 ZINC001164804088 721590472 /nfs/dbraw/zinc/59/04/72/721590472.db2.gz IHIHUWSFOHCISZ-XWGVYQGASA-N 1 1 480.012 4.748 20 0 JJADMO Cc1cncc(COC[C@@]23CCC[C@@H]2CN(c2ncnc4c2CC[N@H+](Cc2ccccc2)C4)C3)c1 ZINC001164802942 721600852 /nfs/dbraw/zinc/60/08/52/721600852.db2.gz UGELBDNCZZIMPX-IRPSRAIASA-N 1 1 469.633 4.562 20 0 JJADMO Cc1cncc(COC[C@@]23CCC[C@@H]2CN(c2ncnc4c2CC[N@@H+](Cc2ccccc2)C4)C3)c1 ZINC001164802942 721600854 /nfs/dbraw/zinc/60/08/54/721600854.db2.gz UGELBDNCZZIMPX-IRPSRAIASA-N 1 1 469.633 4.562 20 0 JJADMO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164905519 721691690 /nfs/dbraw/zinc/69/16/90/721691690.db2.gz JQUGVMJGIUNNCQ-OAQYLSRUSA-N 1 1 479.909 4.961 20 0 JJADMO FC1(F)CCN(c2cc(-c3ccnc(Cl)c3)ccn2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907489 721694670 /nfs/dbraw/zinc/69/46/70/721694670.db2.gz UKMIDLXVMSDGNG-HSZRJFAPSA-N 1 1 455.940 4.930 20 0 JJADMO FC1(F)CCN(c2ccc3c(n2)CCN(Cc2ccccc2)C3)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906130 721696644 /nfs/dbraw/zinc/69/66/44/721696644.db2.gz LQOJYUVBRSIVHS-NDEPHWFRSA-N 1 1 489.614 4.773 20 0 JJADMO FC1(F)CCN(c2ccc3c(n2)CCN(Cc2ccccc2)C3)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906130 721696649 /nfs/dbraw/zinc/69/66/49/721696649.db2.gz LQOJYUVBRSIVHS-NDEPHWFRSA-N 1 1 489.614 4.773 20 0 JJADMO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908691 721704968 /nfs/dbraw/zinc/70/49/68/721704968.db2.gz YNZGWWRQWQLQCG-HXUWFJFHSA-N 1 1 467.898 4.894 20 0 JJADMO FC1(F)CCN(c2nc(Cl)ncc2-c2ccccc2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904807 721705420 /nfs/dbraw/zinc/70/54/20/721705420.db2.gz DFBDNTSJNXHAQM-HSZRJFAPSA-N 1 1 455.940 4.930 20 0 JJADMO Fc1cccc(Cn2ccc3c2ncnc3N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164908226 721708857 /nfs/dbraw/zinc/70/88/57/721708857.db2.gz WMRHWFYKGSGCQX-AREMUKBSSA-N 1 1 492.549 4.751 20 0 JJADMO Fc1ccc(Oc2nc(Cl)nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)cc1 ZINC001164908731 721713082 /nfs/dbraw/zinc/71/30/82/721713082.db2.gz YUVNSYJWGVSDOM-JOCHJYFZSA-N 1 1 490.917 4.589 20 0 JJADMO FC1(F)CCN(c2ccc(-c3ccccc3Cl)nn2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904369 721714431 /nfs/dbraw/zinc/71/44/31/721714431.db2.gz CKHYXSVJGOPIAY-QHCPKHFHSA-N 1 1 455.940 4.930 20 0 JJADMO CCOC(=O)c1cc2ccccc2nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906771 721714958 /nfs/dbraw/zinc/71/49/58/721714958.db2.gz OAHMKWOWKQTIIM-RUZDIDTESA-N 1 1 466.532 4.544 20 0 JJADMO Fc1cccc(Oc2cncc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)c1 ZINC001164904910 721716304 /nfs/dbraw/zinc/71/63/04/721716304.db2.gz FLDJYOSHOGOLKX-QHCPKHFHSA-N 1 1 455.484 4.541 20 0 JJADMO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164905627 721721058 /nfs/dbraw/zinc/72/10/58/721721058.db2.gz IBXYNJYIKHWXPI-SFHVURJKSA-N 1 1 478.321 4.547 20 0 JJADMO FC1(F)CCN(c2nc(-c3ccccn3)nc3ccccc32)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904281 721724139 /nfs/dbraw/zinc/72/41/39/721724139.db2.gz BFTLIAOSJJWYLP-AREMUKBSSA-N 1 1 472.543 4.825 20 0 JJADMO CC(C)C(=O)N1CCC[C@@]12CCN(c1nc(C[NH+](C)C)nc3scc(-c4ccccc4)c31)C2 ZINC001165009508 721727192 /nfs/dbraw/zinc/72/71/92/721727192.db2.gz YDCRXOHJWIOZME-SANMLTNESA-N 1 1 463.651 4.647 20 0 JJADMO COc1ccc(Oc2cc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc(C)n2)cc1 ZINC001164913382 721733492 /nfs/dbraw/zinc/73/34/92/721733492.db2.gz UWTQYULBHYYTLC-RUZDIDTESA-N 1 1 481.547 4.719 20 0 JJADMO FC(F)(Oc1ccc(Cl)nc1Cl)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164913541 721735378 /nfs/dbraw/zinc/73/53/78/721735378.db2.gz WXJAIDBMRRLGIP-GOSISDBHSA-N 1 1 479.305 4.946 20 0 JJADMO FC(F)(N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164913724 721738170 /nfs/dbraw/zinc/73/81/70/721738170.db2.gz XBDXNTGSXQEZMH-HXUWFJFHSA-N 1 1 468.926 4.988 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cnc(Cl)nc1Cl)C2 ZINC001164909980 721744915 /nfs/dbraw/zinc/74/49/15/721744915.db2.gz WCCUMIZICMBUBN-UHFFFAOYSA-N 1 1 454.308 4.511 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cnc(Cl)nc1Cl)C2 ZINC001164909980 721744917 /nfs/dbraw/zinc/74/49/17/721744917.db2.gz WCCUMIZICMBUBN-UHFFFAOYSA-N 1 1 454.308 4.511 20 0 JJADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cnc(Cl)c(-c3ccc(F)cc3)c2)CC1 ZINC001165013050 721747880 /nfs/dbraw/zinc/74/78/80/721747880.db2.gz SKCCAPOFJYUACK-UHFFFAOYSA-N 1 1 480.962 4.609 20 0 JJADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164907913 721751852 /nfs/dbraw/zinc/75/18/52/721751852.db2.gz DDIGKCGMQMXYJZ-UHFFFAOYSA-N 1 1 489.601 4.565 20 0 JJADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164907913 721751857 /nfs/dbraw/zinc/75/18/57/721751857.db2.gz DDIGKCGMQMXYJZ-UHFFFAOYSA-N 1 1 489.601 4.565 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(C(=O)Nc3ccccc3)ccn1)C2 ZINC001164909514 721755320 /nfs/dbraw/zinc/75/53/20/721755320.db2.gz GFKKWTDRUIUVMD-UHFFFAOYSA-N 1 1 453.546 4.517 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(C(=O)Nc3ccccc3)ccn1)C2 ZINC001164909514 721755322 /nfs/dbraw/zinc/75/53/22/721755322.db2.gz GFKKWTDRUIUVMD-UHFFFAOYSA-N 1 1 453.546 4.517 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)C2 ZINC001164910782 721759377 /nfs/dbraw/zinc/75/93/77/721759377.db2.gz ROFBCBGFLRFRFJ-UHFFFAOYSA-N 1 1 468.335 4.597 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)C2 ZINC001164910782 721759378 /nfs/dbraw/zinc/75/93/78/721759378.db2.gz ROFBCBGFLRFRFJ-UHFFFAOYSA-N 1 1 468.335 4.597 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncccc1OCc1ccc(F)cc1)C2 ZINC001164910577 721762626 /nfs/dbraw/zinc/76/26/26/721762626.db2.gz IRDCLFVJPNERSB-UHFFFAOYSA-N 1 1 458.537 4.982 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncccc1OCc1ccc(F)cc1)C2 ZINC001164910577 721762631 /nfs/dbraw/zinc/76/26/31/721762631.db2.gz IRDCLFVJPNERSB-UHFFFAOYSA-N 1 1 458.537 4.982 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(SCc3ccccc3)ncn1)C2 ZINC001164909652 721764046 /nfs/dbraw/zinc/76/40/46/721764046.db2.gz FCDHQTMVMMYWPX-UHFFFAOYSA-N 1 1 457.603 4.952 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(SCc3ccccc3)ncn1)C2 ZINC001164909652 721764052 /nfs/dbraw/zinc/76/40/52/721764052.db2.gz FCDHQTMVMMYWPX-UHFFFAOYSA-N 1 1 457.603 4.952 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(C(F)F)nc3ccc(F)cc31)C2 ZINC001164909458 721765000 /nfs/dbraw/zinc/76/50/00/721765000.db2.gz AEHAKMLPVZCUDV-UHFFFAOYSA-N 1 1 453.468 4.889 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(C(F)F)nc3ccc(F)cc31)C2 ZINC001164909458 721765005 /nfs/dbraw/zinc/76/50/05/721765005.db2.gz AEHAKMLPVZCUDV-UHFFFAOYSA-N 1 1 453.468 4.889 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc(Cl)c4ccccc4n3)C[C@@H]21 ZINC001165019538 721802192 /nfs/dbraw/zinc/80/21/92/721802192.db2.gz CWPRSWNJBGATQC-LKUPVBHCSA-N 1 1 457.956 4.960 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccc4c(Cl)ncnc4c3)C[C@@H]21 ZINC001165017812 721804297 /nfs/dbraw/zinc/80/42/97/721804297.db2.gz ATBCJQUXQBKMSV-QGCDCVKKSA-N 1 1 457.956 4.960 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc4ccccc4nc3Cl)C[C@@H]21 ZINC001165022713 721817111 /nfs/dbraw/zinc/81/71/11/721817111.db2.gz GVRJTDGRGMYRQR-PLMTUMEDSA-N 1 1 457.956 4.960 20 0 JJADMO CCOC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(Cl)n1 ZINC001165026293 721821657 /nfs/dbraw/zinc/82/16/57/721821657.db2.gz OQJYEBNRMIHPMZ-DJPFJPOOSA-N 1 1 478.971 4.589 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(-c4ccccn4)nc4ccccc43)C[C@H]21 ZINC001165027785 721823982 /nfs/dbraw/zinc/82/39/82/721823982.db2.gz UCKWUHLCYOMPOL-ROSOWXQZSA-N 1 1 450.590 4.824 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c(-c5ccccc5)nsc43)C[C@@H]21 ZINC001165029064 721824551 /nfs/dbraw/zinc/82/45/51/721824551.db2.gz WURDTMLGZGSHNG-ILWGZMRPSA-N 1 1 456.619 4.885 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cncc(OCc4cccc(Cl)c4)n3)C[C@@H]21 ZINC001165028851 721829991 /nfs/dbraw/zinc/82/99/91/721829991.db2.gz VTDARJAEOLRYCU-FGCOXFRFSA-N 1 1 464.013 4.841 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cncc(OCc4cccc(Cl)c4)n3)C[C@H]21 ZINC001165028841 721830074 /nfs/dbraw/zinc/83/00/74/721830074.db2.gz VTDARJAEOLRYCU-AGILITTLSA-N 1 1 464.013 4.841 20 0 JJADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c21 ZINC001164930932 721879536 /nfs/dbraw/zinc/87/95/36/721879536.db2.gz DLCXIWCEPPKEJL-PKTZIBPZSA-N 1 1 470.646 4.635 20 0 JJADMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c21 ZINC001164930932 721879537 /nfs/dbraw/zinc/87/95/37/721879537.db2.gz DLCXIWCEPPKEJL-PKTZIBPZSA-N 1 1 470.646 4.635 20 0 JJADMO Fc1ccc(OC2CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC2)c(Cl)c1 ZINC001165032881 721879979 /nfs/dbraw/zinc/87/99/79/721879979.db2.gz GWYWUFVQJODFGE-UHFFFAOYSA-N 1 1 452.961 4.875 20 0 JJADMO Fc1ccc(OC2CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC2)c(Cl)c1 ZINC001165032881 721879981 /nfs/dbraw/zinc/87/99/81/721879981.db2.gz GWYWUFVQJODFGE-UHFFFAOYSA-N 1 1 452.961 4.875 20 0 JJADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001165045336 721939804 /nfs/dbraw/zinc/93/98/04/721939804.db2.gz ZCVZLTARNPZOKJ-UHFFFAOYSA-N 1 1 467.303 4.595 20 0 JJADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nnc(-c3ccc(F)c(F)c3)c3ccccc31)CC2 ZINC001164947306 721978058 /nfs/dbraw/zinc/97/80/58/721978058.db2.gz OSZIJXIJUDFPOD-UHFFFAOYSA-N 1 1 499.565 4.546 20 0 JJADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nnc(-c3ccc(F)c(F)c3)c3ccccc31)CC2 ZINC001164947306 721978062 /nfs/dbraw/zinc/97/80/62/721978062.db2.gz OSZIJXIJUDFPOD-UHFFFAOYSA-N 1 1 499.565 4.546 20 0 JJADMO CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3CCC4(C3)OCCO4)n2)CC1 ZINC001165046775 721985702 /nfs/dbraw/zinc/98/57/02/721985702.db2.gz CGAOSWFPSWDXTP-UHFFFAOYSA-N 1 1 456.637 4.605 20 0 JJADMO Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001164954376 722003939 /nfs/dbraw/zinc/00/39/39/722003939.db2.gz WVDUHVHOBWLPQE-LOSJGSFVSA-N 1 1 461.613 4.817 20 0 JJADMO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164962720 722023069 /nfs/dbraw/zinc/02/30/69/722023069.db2.gz RNHKAKVRQQEEOA-DEOSSOPVSA-N 1 1 467.976 4.812 20 0 JJADMO Cc1cccc(COC[C@]23CCCO[C@H]2CCN(c2ccc4c(n2)CC[N@H+](Cc2ccccc2)C4)C3)n1 ZINC001164959054 722026322 /nfs/dbraw/zinc/02/63/22/722026322.db2.gz HQFXISUUOSVPDQ-IGYGKHONSA-N 1 1 498.671 4.936 20 0 JJADMO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164962935 722057969 /nfs/dbraw/zinc/05/79/69/722057969.db2.gz FZAUZCIDXINCNU-UHFFFAOYSA-N 1 1 499.993 4.856 20 0 JJADMO Clc1cc(C2CCCCC2)nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164966347 722061870 /nfs/dbraw/zinc/06/18/70/722061870.db2.gz RHLOOQYNRJDFKG-UHFFFAOYSA-N 1 1 456.034 4.692 20 0 JJADMO FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c(Cl)nn1 ZINC001164967417 722077912 /nfs/dbraw/zinc/07/79/12/722077912.db2.gz FJYJYERDMLACFE-GASCZTMLSA-N 1 1 488.888 4.660 20 0 JJADMO FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c(Cl)nn1 ZINC001164967417 722077913 /nfs/dbraw/zinc/07/79/13/722077913.db2.gz FJYJYERDMLACFE-GASCZTMLSA-N 1 1 488.888 4.660 20 0 JJADMO O=C(NC1CCC1)[C@@H]1C[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@H]2C1 ZINC001164970702 722085620 /nfs/dbraw/zinc/08/56/20/722085620.db2.gz FZGPOABPGNXSAE-ACDBMABISA-N 1 1 493.721 4.687 20 0 JJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3C[C@@H](C(=O)NC4CCC4)C[C@@H]3C2)n1 ZINC001164977637 722085755 /nfs/dbraw/zinc/08/57/55/722085755.db2.gz XKGWPACTGWVQMA-ACDBMABISA-N 1 1 475.662 4.551 20 0 JJADMO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984711 722106789 /nfs/dbraw/zinc/10/67/89/722106789.db2.gz UDGMJYSBFYJBHA-OXJNMPFZSA-N 1 1 494.373 4.604 20 0 JJADMO c1ccc(-c2cc(-c3ccccc3)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164971370 722108199 /nfs/dbraw/zinc/10/81/99/722108199.db2.gz BMKOARPYFJUVBA-GGXMVOPNSA-N 1 1 477.612 4.933 20 0 JJADMO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164982860 722108209 /nfs/dbraw/zinc/10/82/09/722108209.db2.gz PNKVMCYRRVTBTD-AJTFRIOCSA-N 1 1 499.590 4.567 20 0 JJADMO Fc1ccc(-c2csc3ncnc(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@H]5C4)c23)cc1 ZINC001164985051 722138764 /nfs/dbraw/zinc/13/87/64/722138764.db2.gz YXZZDVIVEQDSBA-REWPJTCUSA-N 1 1 475.593 4.620 20 0 JJADMO Fc1ccc(-c2csc3ncnc(N4CC[C@@H]5C[N@@H+](Cc6cccnc6)CCO[C@H]5C4)c23)cc1 ZINC001164985049 722139208 /nfs/dbraw/zinc/13/92/08/722139208.db2.gz YXZZDVIVEQDSBA-OFNKIYASSA-N 1 1 475.593 4.620 20 0 JJADMO Cc1nc2scc(-c3cccs3)c2c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164973234 722141444 /nfs/dbraw/zinc/14/14/44/722141444.db2.gz BNVAKLATDQXLAJ-TZIWHRDSSA-N 1 1 477.659 4.851 20 0 JJADMO Cc1sc2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1-c1ccccc1 ZINC001164983319 722141796 /nfs/dbraw/zinc/14/17/96/722141796.db2.gz UCNXKVHZNLULPX-DHIUTWEWSA-N 1 1 471.630 4.789 20 0 JJADMO Cc1nc(-c2ccccc2Cl)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C ZINC001164980919 722148727 /nfs/dbraw/zinc/14/87/27/722148727.db2.gz NTQXWRVMVLDZLT-XUZZJYLKSA-N 1 1 464.013 4.536 20 0 JJADMO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976259 722153718 /nfs/dbraw/zinc/15/37/18/722153718.db2.gz WJWJSARZHBIQEH-LAUBAEHRSA-N 1 1 458.940 4.597 20 0 JJADMO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976260 722154023 /nfs/dbraw/zinc/15/40/23/722154023.db2.gz WJWJSARZHBIQEH-UTKZUKDTSA-N 1 1 458.940 4.597 20 0 JJADMO Clc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164971673 722154449 /nfs/dbraw/zinc/15/44/49/722154449.db2.gz CXKCKCIYXQRMSN-GCJKJVERSA-N 1 1 486.403 4.698 20 0 JJADMO Clc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164971678 722154644 /nfs/dbraw/zinc/15/46/44/722154644.db2.gz CXKCKCIYXQRMSN-XMSQKQJNSA-N 1 1 486.403 4.698 20 0 JJADMO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973992 722155321 /nfs/dbraw/zinc/15/53/21/722155321.db2.gz NUYBPVHSNNGFMV-ZJSXRUAMSA-N 1 1 480.012 4.607 20 0 JJADMO CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164973006 722155371 /nfs/dbraw/zinc/15/53/71/722155371.db2.gz JRXNCSQAYWFLEC-ZJSXRUAMSA-N 1 1 480.012 4.607 20 0 JJADMO Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c(Cl)nn2)c1 ZINC001164972466 722158007 /nfs/dbraw/zinc/15/80/07/722158007.db2.gz HXNYTNOBIHAFRX-XUZZJYLKSA-N 1 1 499.993 4.773 20 0 JJADMO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971570 722158693 /nfs/dbraw/zinc/15/86/93/722158693.db2.gz BSTRDMCODGEIMK-CVDCTZTESA-N 1 1 476.999 4.671 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)c2cc(C(=O)NC(C)C)ccc2NC3=O)nc1 ZINC001164990768 722187919 /nfs/dbraw/zinc/18/79/19/722187919.db2.gz NTIBLWMQMOHVIY-RUZDIDTESA-N 1 1 489.664 4.647 20 0 JJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc(Cl)nc4c2ncn4[C@@H]2CCCCO2)C3)c1 ZINC001164993933 722199310 /nfs/dbraw/zinc/19/93/10/722199310.db2.gz JMHDHNNXUOJGKE-CYFREDJKSA-N 1 1 470.980 4.563 20 0 JJADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nc(Cl)nc(Oc4cccc(F)c4)n2)C3)c1 ZINC001164993783 722204087 /nfs/dbraw/zinc/20/40/87/722204087.db2.gz BHQATISWSJQSAM-HSZRJFAPSA-N 1 1 457.912 4.840 20 0 JJADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(C(F)(F)c2nc(-c4ccc(Cl)nc4)no2)C3)c1 ZINC001164998297 722211362 /nfs/dbraw/zinc/21/13/62/722211362.db2.gz VMDOVIXXDDKGQP-OAQYLSRUSA-N 1 1 463.891 4.714 20 0 JJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C(F)(F)c2nc(-c4ccc(Cl)nc4)no2)C3)c1 ZINC001164998297 722211363 /nfs/dbraw/zinc/21/13/63/722211363.db2.gz VMDOVIXXDDKGQP-OAQYLSRUSA-N 1 1 463.891 4.714 20 0 JJADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(C(F)(F)Cc2nc4c(ncnc4Cl)s2)C3)c1 ZINC001164995284 722213910 /nfs/dbraw/zinc/21/39/10/722213910.db2.gz HYGONVFSXIMYLN-HXUWFJFHSA-N 1 1 467.948 4.755 20 0 JJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C(F)(F)Cc2nc4c(ncnc4Cl)s2)C3)c1 ZINC001164995284 722213912 /nfs/dbraw/zinc/21/39/12/722213912.db2.gz HYGONVFSXIMYLN-HXUWFJFHSA-N 1 1 467.948 4.755 20 0 JJADMO Cc1nc(CO[C@H]2COC3(C2)CCN(c2ccc4c(n2)CC[N@H+](Cc2ccccc2)C4)CC3)cs1 ZINC001165006797 722272466 /nfs/dbraw/zinc/27/24/66/722272466.db2.gz QWPLEHRVAHPZMC-RUZDIDTESA-N 1 1 490.673 4.750 20 0 JJADMO CC(C)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1Cc1ccsc1Br ZINC001359712532 1064261573 /nfs/dbraw/zinc/26/15/73/1064261573.db2.gz XJGPYQAFASDCRN-UHFFFAOYSA-N 1 1 474.472 4.986 20 0 JJADMO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC001545850852 1064261882 /nfs/dbraw/zinc/26/18/82/1064261882.db2.gz SAXUWBMZFTZMMJ-OFVILXPXSA-N 1 1 450.966 4.745 20 0 JJADMO CC(C)c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1C[C@](C)(O)c1ccccc1Cl ZINC001359716213 1064264698 /nfs/dbraw/zinc/26/46/98/1064264698.db2.gz ZCEVZYDBRBHKHL-KOSHJBKYSA-N 1 1 474.074 4.907 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545862861 1064271388 /nfs/dbraw/zinc/27/13/88/1064271388.db2.gz VLXBRBNHEOQMQR-QHAWAJNXSA-N 1 1 474.738 4.825 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(C)=C(C)C2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001545865980 1064275781 /nfs/dbraw/zinc/27/57/81/1064275781.db2.gz RHKHQIIUMQIAFQ-QFIPXVFZSA-N 1 1 468.646 4.563 20 0 JJADMO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001545867040 1064276718 /nfs/dbraw/zinc/27/67/18/1064276718.db2.gz RUJWRRMVXHCGFM-LAUBAEHRSA-N 1 1 459.403 4.938 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccccc3)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545870053 1064282065 /nfs/dbraw/zinc/28/20/65/1064282065.db2.gz FOFYHLWPFGCJOQ-ZRZAMGCNSA-N 1 1 494.728 4.949 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](Cc3ccccc3)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001545874150 1064289972 /nfs/dbraw/zinc/28/99/72/1064289972.db2.gz JUFYASUJXRVGMI-VWNXMTODSA-N 1 1 494.728 4.776 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C[C@H]1CCCC1(C)C ZINC001545875716 1064292183 /nfs/dbraw/zinc/29/21/83/1064292183.db2.gz DXKOTUIWDKNWOY-OAQYLSRUSA-N 1 1 460.711 4.579 20 0 JJADMO CC(C)[C@H]1CCCN1c1nnc(-c2ccc(Br)s2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001359734515 1064293748 /nfs/dbraw/zinc/29/37/48/1064293748.db2.gz VJYBVJSUBWRRMC-ZWKOTPCHSA-N 1 1 496.519 4.631 20 0 JJADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(F)c(F)cc1Br ZINC001545879769 1064295279 /nfs/dbraw/zinc/29/52/79/1064295279.db2.gz FWSUYXUZMVVTHZ-HNNXBMFYSA-N 1 1 453.327 4.560 20 0 JJADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(-c2ccc(Cl)cc2)nn1C ZINC001545879873 1064295409 /nfs/dbraw/zinc/29/54/09/1064295409.db2.gz IPEGTOLUNSHYQC-OAQYLSRUSA-N 1 1 452.986 4.573 20 0 JJADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1c[nH]c2cccc(Br)c21 ZINC001545880114 1064295652 /nfs/dbraw/zinc/29/56/52/1064295652.db2.gz QIBKCWOGAWSAEN-QGZVFWFLSA-N 1 1 456.384 4.763 20 0 JJADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cnc(Cc2ccccc2F)s1 ZINC001545879863 1064295723 /nfs/dbraw/zinc/29/57/23/1064295723.db2.gz IHYICXYBOLBHOV-FQEVSTJZSA-N 1 1 453.583 4.705 20 0 JJADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1csc(N(C)c2ccccc2)n1 ZINC001545880289 1064296185 /nfs/dbraw/zinc/29/61/85/1064296185.db2.gz WIAITDBHWFBPAW-NRFANRHFSA-N 1 1 450.608 4.743 20 0 JJADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC001545880356 1064296601 /nfs/dbraw/zinc/29/66/01/1064296601.db2.gz XYZRNFNMQDMJGU-LPHOPBHVSA-N 1 1 451.394 4.979 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCc3c(Cl)cccc3C2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001545886627 1064303918 /nfs/dbraw/zinc/30/39/18/1064303918.db2.gz GYWDZZGPWAAHHU-OALUTQOASA-N 1 1 487.092 4.533 20 0 JJADMO CC(=O)[C@@H]1C[C@H](C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)c(Cl)c2)C1(C)C ZINC001434873995 1064309249 /nfs/dbraw/zinc/30/92/49/1064309249.db2.gz IJZDAQYFEJPADG-FCHUYYIVSA-N 1 1 454.014 4.852 20 0 JJADMO Cc1cc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)nn1-c1ccc(Br)cc1 ZINC001434883974 1064315870 /nfs/dbraw/zinc/31/58/70/1064315870.db2.gz QCUPZDUPGWFAEG-PXNSSMCTSA-N 1 1 453.384 4.509 20 0 JJADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)C1 ZINC001434885820 1064317544 /nfs/dbraw/zinc/31/75/44/1064317544.db2.gz WWRIMZBPLZBCAW-RVKKMQEKSA-N 1 1 451.792 4.822 20 0 JJADMO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001434885812 1064317833 /nfs/dbraw/zinc/31/78/33/1064317833.db2.gz WWRIMZBPLZBCAW-MPGHIAIKSA-N 1 1 451.792 4.822 20 0 JJADMO COC(=O)COc1cccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)c1 ZINC001434891209 1064321531 /nfs/dbraw/zinc/32/15/31/1064321531.db2.gz MGWXDBRFSWLGEO-LOSJGSFVSA-N 1 1 478.976 4.746 20 0 JJADMO CC(C)[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CCS1 ZINC001359747321 1064327412 /nfs/dbraw/zinc/32/74/12/1064327412.db2.gz YWRQMAWIXPHDKD-BJLQDIEVSA-N 1 1 465.708 4.828 20 0 JJADMO CC(C)[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CCS1 ZINC001359747321 1064327430 /nfs/dbraw/zinc/32/74/30/1064327430.db2.gz YWRQMAWIXPHDKD-BJLQDIEVSA-N 1 1 465.708 4.828 20 0 JJADMO CC(C)[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC[N@@H+](C)C2CCCCC2)CCO1 ZINC001359748006 1064331848 /nfs/dbraw/zinc/33/18/48/1064331848.db2.gz MPGVBICWSNAXBG-QFIPXVFZSA-N 1 1 490.490 4.833 20 0 JJADMO CC(C)[C@H]1CN(c2nnc(-c3cccnc3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CCS1 ZINC001359749452 1064337976 /nfs/dbraw/zinc/33/79/76/1064337976.db2.gz RBBICGTUORKYMZ-ZJSXRUAMSA-N 1 1 464.683 4.829 20 0 JJADMO CC(C)[C@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CCS1 ZINC001359753360 1064342954 /nfs/dbraw/zinc/34/29/54/1064342954.db2.gz IDCHHCBHLBHJEO-XZOQPEGZSA-N 1 1 485.101 4.798 20 0 JJADMO CC(C)[C@H]1OCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001359761554 1064372437 /nfs/dbraw/zinc/37/24/37/1064372437.db2.gz IRZNOYLKWZATET-JYFHCDHNSA-N 1 1 483.701 4.519 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(C(=O)N2CCSCC2)cc1C ZINC001434960145 1064375979 /nfs/dbraw/zinc/37/59/79/1064375979.db2.gz CYGZNCPKVOPMIV-DNQXCXABSA-N 1 1 465.663 4.671 20 0 JJADMO CC(C)[C@H]1OCCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001359763287 1064379796 /nfs/dbraw/zinc/37/97/96/1064379796.db2.gz IDRWZCOLZQBVGY-XNMGPUDCSA-N 1 1 467.702 4.825 20 0 JJADMO CC(C)C[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2CCCC[C@@H]2C1)[NH+](C)C ZINC001359766836 1064394662 /nfs/dbraw/zinc/39/46/62/1064394662.db2.gz VOKXXXPIIBWYBX-UXHICEINSA-N 1 1 479.500 4.903 20 0 JJADMO CC(C)C[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC001359770991 1064403769 /nfs/dbraw/zinc/40/37/69/1064403769.db2.gz OSRMYUAGWZOIJJ-DHLKQENFSA-N 1 1 480.726 4.617 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1CC(F)(F)Br ZINC001359777283 1064420584 /nfs/dbraw/zinc/42/05/84/1064420584.db2.gz FXMCQRSYZMYNSX-HKUYNNGSSA-N 1 1 484.433 4.954 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1C[C@H]1CSCCS1 ZINC001359777494 1064421440 /nfs/dbraw/zinc/42/14/40/1064421440.db2.gz LIVYECBNHCEBLR-MZYLBHOOSA-N 1 1 473.756 4.815 20 0 JJADMO CC(C)Cc1nnc(N(C)Cc2cnn(Cc3ccccc3)c2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001359781632 1064432225 /nfs/dbraw/zinc/43/22/25/1064432225.db2.gz OZKADNFTLOMMOX-HSZRJFAPSA-N 1 1 477.701 4.868 20 0 JJADMO CC(C)Cc1nnc(N(C)Cc2cnc(C(C)C)nc2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001359781586 1064432257 /nfs/dbraw/zinc/43/22/57/1064432257.db2.gz MWZSMGPGETXMGB-XMMPIXPASA-N 1 1 461.658 4.691 20 0 JJADMO CC(C)Cc1nnc(N(C)C[C@@H]2CCCCO2)n1CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001359783441 1064434900 /nfs/dbraw/zinc/43/49/00/1064434900.db2.gz ZAOARQFJDITUIG-CAOCKLPOSA-N 1 1 453.675 4.783 20 0 JJADMO CC(C)Cc1nnc(N(C)CCC2CCOCC2)n1C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001359785021 1064438650 /nfs/dbraw/zinc/43/86/50/1064438650.db2.gz WSRQEXXGSAQVGX-XUZZJYLKSA-N 1 1 459.704 4.874 20 0 JJADMO CC(C)Cc1nnc(N(C)CCc2ccccc2F)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001359784956 1064438899 /nfs/dbraw/zinc/43/88/99/1064438899.db2.gz ULDQKGHWIMBIRQ-SFTDATJTSA-N 1 1 473.637 4.969 20 0 JJADMO CC(C)Cc1nnc(N(C)CCc2ccccc2F)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001359784956 1064438905 /nfs/dbraw/zinc/43/89/05/1064438905.db2.gz ULDQKGHWIMBIRQ-SFTDATJTSA-N 1 1 473.637 4.969 20 0 JJADMO CC(C)Cc1nnc(N2Cc3cc(Br)ccc3[C@H](C)C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001359793089 1064451156 /nfs/dbraw/zinc/45/11/56/1064451156.db2.gz RBNDIZOBYMIUPY-SJORKVTESA-N 1 1 460.464 4.846 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@]1(C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001435046614 1064462955 /nfs/dbraw/zinc/46/29/55/1064462955.db2.gz KCJSGJWTKZLEED-GBXCKJPGSA-N 1 1 450.023 4.600 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@]1(C)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001435046614 1064462965 /nfs/dbraw/zinc/46/29/65/1064462965.db2.gz KCJSGJWTKZLEED-GBXCKJPGSA-N 1 1 450.023 4.600 20 0 JJADMO CC(C)Cc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001359799159 1064465045 /nfs/dbraw/zinc/46/50/45/1064465045.db2.gz YJWWBALCBUCIHC-VXKWHMMOSA-N 1 1 490.737 4.727 20 0 JJADMO CC(C)Cc1nnc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001359800899 1064467900 /nfs/dbraw/zinc/46/79/00/1064467900.db2.gz MQBTVXJXCXFEFD-RLWLMLJZSA-N 1 1 471.665 4.830 20 0 JJADMO CC(C)Cc1nnc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001359800897 1064467930 /nfs/dbraw/zinc/46/79/30/1064467930.db2.gz MQBTVXJXCXFEFD-LVXARBLLSA-N 1 1 471.665 4.830 20 0 JJADMO CC(C)Cc1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359801519 1064468690 /nfs/dbraw/zinc/46/86/90/1064468690.db2.gz WTCUQGIAWKGOGR-SZPZYZBQSA-N 1 1 490.737 4.728 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1C[C@@]1(O)CCCC1(C)C ZINC001359802096 1064469605 /nfs/dbraw/zinc/46/96/05/1064469605.db2.gz HUDAVUDNKLOCMT-AMGIVPHBSA-N 1 1 453.675 4.519 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@H](c3ccccc3)[C@@H]2C)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359802884 1064471371 /nfs/dbraw/zinc/47/13/71/1064471371.db2.gz XLKVKTIIQJZMJM-KHUIQGCPSA-N 1 1 453.675 4.747 20 0 JJADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@]2(C)CC2(Br)Br)c1 ZINC001435054877 1064472973 /nfs/dbraw/zinc/47/29/73/1064472973.db2.gz CGMCLBINAKZFMM-KRWDZBQOSA-N 1 1 455.194 4.889 20 0 JJADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)c1 ZINC001435057317 1064475587 /nfs/dbraw/zinc/47/55/87/1064475587.db2.gz OMOIUCIISFYABL-UHFFFAOYSA-N 1 1 454.456 4.907 20 0 JJADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)c1C ZINC001435057222 1064475631 /nfs/dbraw/zinc/47/56/31/1064475631.db2.gz NKXDBASEAOILBS-UHFFFAOYSA-N 1 1 453.480 4.602 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@H](C3CCOCC3)C2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001359806911 1064477160 /nfs/dbraw/zinc/47/71/60/1064477160.db2.gz XKVGCBDQSVPENG-VWLOTQADSA-N 1 1 453.675 4.618 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001359807745 1064478255 /nfs/dbraw/zinc/47/82/55/1064478255.db2.gz BYDPMUSFFCEKIV-LADGPHEKSA-N 1 1 498.716 4.690 20 0 JJADMO CC(C)Cc1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001359808363 1064479804 /nfs/dbraw/zinc/47/98/04/1064479804.db2.gz NGKPCDRDPGFEII-FYYLOGMGSA-N 1 1 498.682 4.842 20 0 JJADMO CC(C)Cc1nnc(N2CCC(O)(Cc3ccccc3F)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359815629 1064497102 /nfs/dbraw/zinc/49/71/02/1064497102.db2.gz QMVDKULVPONKHC-ZRZAMGCNSA-N 1 1 499.719 4.946 20 0 JJADMO CC(C)Cc1nnc(N2CCC(OCC3CC3)CC2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001359818078 1064501244 /nfs/dbraw/zinc/50/12/44/1064501244.db2.gz RVPWXOJQPBDMLG-QHCPKHFHSA-N 1 1 460.066 4.828 20 0 JJADMO Cc1c(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001435091106 1064508350 /nfs/dbraw/zinc/50/83/50/1064508350.db2.gz OKKMXAYZIUZGMW-INIZCTEOSA-N 1 1 458.484 4.845 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@@H]3CC[N@H+](Cc4ccccc4)[C@H]32)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001359826728 1064508781 /nfs/dbraw/zinc/50/87/81/1064508781.db2.gz UCZDSJMSNBFGKH-RSEQLOHWSA-N 1 1 496.700 4.696 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H]32)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001359826728 1064508795 /nfs/dbraw/zinc/50/87/95/1064508795.db2.gz UCZDSJMSNBFGKH-RSEQLOHWSA-N 1 1 496.700 4.696 20 0 JJADMO Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC001435092262 1064509630 /nfs/dbraw/zinc/50/96/30/1064509630.db2.gz ZXYCPFRKFOBOLD-KRWDZBQOSA-N 1 1 452.580 4.624 20 0 JJADMO C[C@H](CNC(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1)[N@H+]1CCc2ccccc2C1 ZINC001359829191 1064511045 /nfs/dbraw/zinc/51/10/45/1064511045.db2.gz RKFHONQVKOTBND-MRXNPFEDSA-N 1 1 455.574 4.929 20 0 JJADMO Cc1cc(C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)cc(Cl)c1Br ZINC001435105301 1064515970 /nfs/dbraw/zinc/51/59/70/1064515970.db2.gz SUNCDRUEFGKDOL-UHFFFAOYSA-N 1 1 457.840 4.954 20 0 JJADMO Cn1c(C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)cc2cc(C(F)(F)F)ccc21 ZINC001435105229 1064516114 /nfs/dbraw/zinc/51/61/14/1064516114.db2.gz RGHHIORAUNKHAI-UHFFFAOYSA-N 1 1 451.533 4.741 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001359832847 1064517342 /nfs/dbraw/zinc/51/73/42/1064517342.db2.gz POFUBGOJHYHGHJ-DHIUTWEWSA-N 1 1 490.737 4.824 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001359835390 1064522526 /nfs/dbraw/zinc/52/25/26/1064522526.db2.gz WDZBSPCZEHMHPG-FCHUYYIVSA-N 1 1 479.591 4.689 20 0 JJADMO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1nnc(Cc2ccccc2F)s1 ZINC001435115959 1064523770 /nfs/dbraw/zinc/52/37/70/1064523770.db2.gz KPXPDIJSNFWRGM-QGZVFWFLSA-N 1 1 454.571 4.774 20 0 JJADMO CC(C)Cc1nnc(N2CCN([C@H](C)c3ccsc3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001359849302 1064535457 /nfs/dbraw/zinc/53/54/57/1064535457.db2.gz IANQGQQUQFWOHF-OAQYLSRUSA-N 1 1 458.720 4.543 20 0 JJADMO CC(C)Cc1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359849054 1064535524 /nfs/dbraw/zinc/53/55/24/1064535524.db2.gz GXVILWVWWPZVES-SZPZYZBQSA-N 1 1 488.671 4.840 20 0 JJADMO CC(C)Cc1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1Cc1cccc(Br)n1 ZINC001359850630 1064537098 /nfs/dbraw/zinc/53/70/98/1064537098.db2.gz VDZUNLZDIVZJLL-QGZVFWFLSA-N 1 1 489.487 4.627 20 0 JJADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC2)[C@H](C)C1 ZINC001435134455 1064538414 /nfs/dbraw/zinc/53/84/14/1064538414.db2.gz OZSIEDKFLJKZLP-JPYJTQIMSA-N 1 1 459.034 4.578 20 0 JJADMO CC(C)Cc1nnc(N2CCN(c3ccccc3Cl)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001359852852 1064539926 /nfs/dbraw/zinc/53/99/26/1064539926.db2.gz XSMAOZVVNZACOO-NRFANRHFSA-N 1 1 459.082 4.577 20 0 JJADMO CC(C)Cc1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CCCO[C@@H](C)c1ccccc1 ZINC001359855801 1064543454 /nfs/dbraw/zinc/54/34/54/1064543454.db2.gz SFQGOMBVNWSXEY-PKTZIBPZSA-N 1 1 453.675 4.955 20 0 JJADMO CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001359860176 1064548825 /nfs/dbraw/zinc/54/88/25/1064548825.db2.gz FZAYPIOIAOELMB-DHIUTWEWSA-N 1 1 498.716 4.690 20 0 JJADMO CC(C)Cc1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001359861563 1064552227 /nfs/dbraw/zinc/55/22/27/1064552227.db2.gz ZIVSLHQOSOSZBE-UHFFFAOYSA-N 1 1 478.588 4.517 20 0 JJADMO CC(C)Cc1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001359864008 1064554191 /nfs/dbraw/zinc/55/41/91/1064554191.db2.gz CSLMANJWCZWQRN-TZIWHRDSSA-N 1 1 453.528 4.772 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001359865856 1064556368 /nfs/dbraw/zinc/55/63/68/1064556368.db2.gz JVNHZNIULWXKRW-QHCPKHFHSA-N 1 1 460.066 4.972 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001359866812 1064558618 /nfs/dbraw/zinc/55/86/18/1064558618.db2.gz ZZRHNWAMOHJBHI-JTAQYXEDSA-N 1 1 491.627 4.776 20 0 JJADMO C[C@@H]1CN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001435162750 1064558852 /nfs/dbraw/zinc/55/88/52/1064558852.db2.gz HIPZEBCEPXHWJB-OYRHEFFESA-N 1 1 451.611 4.789 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)cc3)C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001359868011 1064559705 /nfs/dbraw/zinc/55/97/05/1064559705.db2.gz HAEHHHTWWMNGOY-DEOSSOPVSA-N 1 1 457.638 4.848 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@H](c3ccccc3F)C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001359868930 1064561106 /nfs/dbraw/zinc/56/11/06/1064561106.db2.gz PHEQVKQATNMPFY-URXFXBBRSA-N 1 1 457.638 4.848 20 0 JJADMO CC(C)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001359880809 1064574418 /nfs/dbraw/zinc/57/44/18/1064574418.db2.gz JLYQEOAPRZQOEA-QZTJIDSGSA-N 1 1 466.457 4.845 20 0 JJADMO CC(C)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001359880809 1064574432 /nfs/dbraw/zinc/57/44/32/1064574432.db2.gz JLYQEOAPRZQOEA-QZTJIDSGSA-N 1 1 466.457 4.845 20 0 JJADMO CN(C(=O)c1ccc(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC001435188769 1064578076 /nfs/dbraw/zinc/57/80/76/1064578076.db2.gz NUMPJVLWQXLZOM-AZGAKELHSA-N 1 1 457.574 4.612 20 0 JJADMO CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001359889329 1064587433 /nfs/dbraw/zinc/58/74/33/1064587433.db2.gz ALGAJOQIFPMUQG-VWLOTQADSA-N 1 1 475.081 4.635 20 0 JJADMO C[C@@H](NC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435250784 1064627653 /nfs/dbraw/zinc/62/76/53/1064627653.db2.gz DAZFSYULOHSQQF-UZUQRXQVSA-N 1 1 458.480 4.985 20 0 JJADMO C[C@@H](NC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435250784 1064627658 /nfs/dbraw/zinc/62/76/58/1064627658.db2.gz DAZFSYULOHSQQF-UZUQRXQVSA-N 1 1 458.480 4.985 20 0 JJADMO COc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OCc1ccc(Cl)cc1Cl ZINC001435253056 1064630233 /nfs/dbraw/zinc/63/02/33/1064630233.db2.gz ACSDUQZLCXIEPQ-YWZLYKJASA-N 1 1 451.394 4.993 20 0 JJADMO CCN(Cc1ccccc1)c1ccc(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC001435254449 1064631047 /nfs/dbraw/zinc/63/10/47/1064631047.db2.gz SRQQRTVTLQVRCY-XMMPIXPASA-N 1 1 456.634 4.654 20 0 JJADMO CC[C@H](C)c1ccccc1N1C[C@H](C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1=O ZINC001435260257 1064636495 /nfs/dbraw/zinc/63/64/95/1064636495.db2.gz HXASZXIGOSJSLL-UVPKRVSESA-N 1 1 453.652 4.814 20 0 JJADMO CC[C@H](C)c1ccccc1N1C[C@H](C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1=O ZINC001435260255 1064636607 /nfs/dbraw/zinc/63/66/07/1064636607.db2.gz HXASZXIGOSJSLL-OZAHESQGSA-N 1 1 453.652 4.814 20 0 JJADMO C[N@H+]1CCC[C@H](CNC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)[C@H]1c1cccs1 ZINC001435261630 1064637610 /nfs/dbraw/zinc/63/76/10/1064637610.db2.gz PLWYUOXGIZPQML-JSXIUCTPSA-N 1 1 459.700 4.893 20 0 JJADMO C[N@H+]1CCC[C@@H](CNC(=O)COc2ccc(Cl)cc2Br)[C@@H]1c1cccs1 ZINC001435263294 1064639881 /nfs/dbraw/zinc/63/98/81/1064639881.db2.gz ZRLSTPOEVJIEIZ-ORAYPTAESA-N 1 1 457.821 4.742 20 0 JJADMO CC(C)CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001359921491 1064647855 /nfs/dbraw/zinc/64/78/55/1064647855.db2.gz JSWHRDODBBZZNF-NRFANRHFSA-N 1 1 476.710 4.954 20 0 JJADMO CC(C)CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)[N@@H+](C)C1CC1)C1CC1 ZINC001359923379 1064652238 /nfs/dbraw/zinc/65/22/38/1064652238.db2.gz IEQAAWUKMZMUGU-INIZCTEOSA-N 1 1 463.468 4.544 20 0 JJADMO CC(C)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001359933408 1064674542 /nfs/dbraw/zinc/67/45/42/1064674542.db2.gz RRMKFNRPVBCHPP-VQTJNVASSA-N 1 1 476.065 4.807 20 0 JJADMO CC(C)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001359934095 1064677058 /nfs/dbraw/zinc/67/70/58/1064677058.db2.gz VWVVKVXJLFXXCY-NRFANRHFSA-N 1 1 453.034 4.998 20 0 JJADMO CCOCc1nc(C)c(C(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)s1 ZINC001435314943 1064686692 /nfs/dbraw/zinc/68/66/92/1064686692.db2.gz CTQWGDTVZNLUCA-GOSISDBHSA-N 1 1 455.546 4.515 20 0 JJADMO COc1cc(C(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)c2ccccc2n1 ZINC001435316119 1064688599 /nfs/dbraw/zinc/68/85/99/1064688599.db2.gz LISDOXLRGMMTEU-LJQANCHMSA-N 1 1 457.496 4.770 20 0 JJADMO CC(C)(C)OC(=O)CCCCC(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001435316450 1064689260 /nfs/dbraw/zinc/68/92/60/1064689260.db2.gz OAMNSDGEZOFTJB-HXUWFJFHSA-N 1 1 456.549 4.802 20 0 JJADMO Cc1c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cnn1-c1cccc(C(F)(F)F)c1 ZINC001435336663 1064707519 /nfs/dbraw/zinc/70/75/19/1064707519.db2.gz BLRKBNUKUJSSPL-HXOBKFHXSA-N 1 1 456.512 4.840 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CCC(F)(F)CC3)n2CC[N@@H+]2CCOCC2(C)C)cc1 ZINC001359952510 1064715691 /nfs/dbraw/zinc/71/56/91/1064715691.db2.gz XHZDDNZHRDIRIR-UHFFFAOYSA-N 1 1 491.627 4.716 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CCC(F)(F)CC3)n2CC[N@H+]2CCOCC2(C)C)cc1 ZINC001359952510 1064715702 /nfs/dbraw/zinc/71/57/02/1064715702.db2.gz XHZDDNZHRDIRIR-UHFFFAOYSA-N 1 1 491.627 4.716 20 0 JJADMO COc1ccccc1-c1noc([C@@H](C)NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)n1 ZINC001435351232 1064717269 /nfs/dbraw/zinc/71/72/69/1064717269.db2.gz YWFBDCFYXAALKJ-LJQANCHMSA-N 1 1 456.546 4.868 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2CC[N@H+]2CCC[C@@H]2C)cc1 ZINC001359954009 1064717970 /nfs/dbraw/zinc/71/79/70/1064717970.db2.gz AGVNCGXHPNKTFN-WIOPSUGQSA-N 1 1 469.674 4.716 20 0 JJADMO Cc1cc(-c2ccccc2)n(-c2ccc(C(=O)Nc3ccc(NC(=O)C[NH+](C)C)cc3)cc2)n1 ZINC001435353154 1064718446 /nfs/dbraw/zinc/71/84/46/1064718446.db2.gz USKOFYUOEOHORH-UHFFFAOYSA-N 1 1 453.546 4.600 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(Nc3ccn(C)n3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001359954767 1064721713 /nfs/dbraw/zinc/72/17/13/1064721713.db2.gz PXVHUMDLKKGJSH-QFIPXVFZSA-N 1 1 465.646 4.968 20 0 JJADMO CC(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)[C@H](C)NC(=O)OC(C)(C)C ZINC001435364832 1064725718 /nfs/dbraw/zinc/72/57/18/1064725718.db2.gz UXCKDZOQPWMABA-JEYPMZLKSA-N 1 1 457.659 4.687 20 0 JJADMO CC(C)CCOCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001359966980 1064742270 /nfs/dbraw/zinc/74/22/70/1064742270.db2.gz IPCREKWZPSMGAF-SGNDLWITSA-N 1 1 461.695 4.673 20 0 JJADMO CC(C)CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359970790 1064747243 /nfs/dbraw/zinc/74/72/43/1064747243.db2.gz DMXWUUUGQDNLLO-ZCNNSNEGSA-N 1 1 464.054 4.663 20 0 JJADMO CC(C)CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001359980561 1064756053 /nfs/dbraw/zinc/75/60/53/1064756053.db2.gz CWYINALHZWLYMD-QFIPXVFZSA-N 1 1 466.033 4.565 20 0 JJADMO CC(C)CN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC001359983701 1064760707 /nfs/dbraw/zinc/76/07/07/1064760707.db2.gz WKUDUBOBNCYCRG-OBTVHEKISA-N 1 1 477.738 4.946 20 0 JJADMO CC(C)CN(c1nnc(-c2cccc(Br)c2)n1CC[N@@H+]1CCOC(C)(C)C1)C(C)C ZINC001359984942 1064763160 /nfs/dbraw/zinc/76/31/60/1064763160.db2.gz FHRWDWUEYMJWFU-UHFFFAOYSA-N 1 1 478.479 4.689 20 0 JJADMO CC(C)CN(c1nnc(-c2cccc(Br)c2)n1CC[N@H+]1CCOC(C)(C)C1)C(C)C ZINC001359984942 1064763164 /nfs/dbraw/zinc/76/31/64/1064763164.db2.gz FHRWDWUEYMJWFU-UHFFFAOYSA-N 1 1 478.479 4.689 20 0 JJADMO CC(C)CN(c1nnc(-c2cccc(Br)c2)n1C[C@@H](C)[NH+]1CCOCC1)C1CCCC1 ZINC001359985136 1064763294 /nfs/dbraw/zinc/76/32/94/1064763294.db2.gz HIARLAVHYJYYFK-LJQANCHMSA-N 1 1 490.490 4.833 20 0 JJADMO CC(C)CN(c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+](C)C1CCCC1)C(C)C ZINC001359985241 1064763906 /nfs/dbraw/zinc/76/39/06/1064763906.db2.gz JPHNGIQUBHQFHJ-UHFFFAOYSA-N 1 1 465.484 4.791 20 0 JJADMO CC[C@@H](NC(=O)C(F)(F)c1cccc(Cl)c1Cl)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435456400 1064767090 /nfs/dbraw/zinc/76/70/90/1064767090.db2.gz NOJMXBMCPMEONN-RTBURBONSA-N 1 1 457.348 4.881 20 0 JJADMO CC[C@@H](NC(=O)C(F)(F)c1cccc(Cl)c1Cl)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435456400 1064767102 /nfs/dbraw/zinc/76/71/02/1064767102.db2.gz NOJMXBMCPMEONN-RTBURBONSA-N 1 1 457.348 4.881 20 0 JJADMO CC[C@H](NC(=O)c1cc2ccccc2n1CC(F)(F)F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435455650 1064767394 /nfs/dbraw/zinc/76/73/94/1064767394.db2.gz KDMJWGUVRDLGSF-NZQKXSOJSA-N 1 1 459.512 4.613 20 0 JJADMO CC[C@H](NC(=O)c1cc2ccccc2n1CC(F)(F)F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435455650 1064767401 /nfs/dbraw/zinc/76/74/01/1064767401.db2.gz KDMJWGUVRDLGSF-NZQKXSOJSA-N 1 1 459.512 4.613 20 0 JJADMO CC[C@H](NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435456689 1064768025 /nfs/dbraw/zinc/76/80/25/1064768025.db2.gz QPNNJJKKERDQAI-XGRCMKMKSA-N 1 1 451.394 4.557 20 0 JJADMO CC[C@H](NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435456689 1064768038 /nfs/dbraw/zinc/76/80/38/1064768038.db2.gz QPNNJJKKERDQAI-XGRCMKMKSA-N 1 1 451.394 4.557 20 0 JJADMO CC(C)CN(c1nnc(Cc2ccccc2F)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC001359991486 1064773293 /nfs/dbraw/zinc/77/32/93/1064773293.db2.gz ZYRAHWATWHBWFR-OYRHEFFESA-N 1 1 459.654 4.767 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@H](C)c2ccccc2)C1 ZINC001360007394 1064794841 /nfs/dbraw/zinc/79/48/41/1064794841.db2.gz BWSVYVBUABOMMK-XZOQPEGZSA-N 1 1 489.668 4.533 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@H](C)C2)C1 ZINC001360007503 1064795102 /nfs/dbraw/zinc/79/51/02/1064795102.db2.gz DGJQMWADZFTCCL-HKBOAZHASA-N 1 1 476.065 4.665 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCOC(C)(C)C2)C1 ZINC001360007539 1064795249 /nfs/dbraw/zinc/79/52/49/1064795249.db2.gz DMMWNWQTQKOSSY-RTWAWAEBSA-N 1 1 473.637 4.540 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)CC(F)(F)F)C1 ZINC001360008215 1064796762 /nfs/dbraw/zinc/79/67/62/1064796762.db2.gz NCVYEAJIQVGUMM-ROUUACIJSA-N 1 1 471.543 4.924 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)C[C@@H]2CCCCO2)C1 ZINC001360008661 1064798277 /nfs/dbraw/zinc/79/82/77/1064798277.db2.gz VFVURUKPEUKLRM-OFNKIYASSA-N 1 1 491.627 4.920 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCCO[C@H](C)C2)C1 ZINC001360008552 1064798331 /nfs/dbraw/zinc/79/83/31/1064798331.db2.gz SXPDOBYWJRCFCP-UXHICEINSA-N 1 1 490.490 4.691 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccc4ccccc4n3)nnc2N(C)CC(F)(F)F)C1 ZINC001360009991 1064799776 /nfs/dbraw/zinc/79/97/76/1064799776.db2.gz IPUXVMLCPGDZBW-SFHVURJKSA-N 1 1 460.548 4.860 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H]3CCCOC3)nnc2N(C)CCOc2ccc(Cl)cc2)C1 ZINC001360010104 1064800807 /nfs/dbraw/zinc/80/08/07/1064800807.db2.gz KNPJVEJJQMXRCJ-VXKWHMMOSA-N 1 1 490.092 4.709 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)C2CCC2)C1 ZINC001360010205 1064801502 /nfs/dbraw/zinc/80/15/02/1064801502.db2.gz MJUXXAPYXRPHQI-OAQYLSRUSA-N 1 1 488.721 4.749 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccc(Br)s2)C1 ZINC001360010575 1064802888 /nfs/dbraw/zinc/80/28/88/1064802888.db2.gz RVZQZUMVRJKUME-ZWKOTPCHSA-N 1 1 496.519 4.610 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@H](C)S[C@@H](C)C2)C1 ZINC001360010857 1064804374 /nfs/dbraw/zinc/80/43/74/1064804374.db2.gz XCAJHUMGXSJQAK-FHWLQOOXSA-N 1 1 463.095 4.692 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C3CCC3)nnc2N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)C1 ZINC001360010737 1064804469 /nfs/dbraw/zinc/80/44/69/1064804469.db2.gz VHIBUDIPORAKAS-FGZHOGPDSA-N 1 1 488.721 4.607 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(C3CCCC3)nnc2N2CCC=C(Br)C2)C1 ZINC001360010729 1064804529 /nfs/dbraw/zinc/80/45/29/1064804529.db2.gz VGJWVMIYYBGEIS-SFHVURJKSA-N 1 1 450.469 4.793 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccccc3Cl)nnc2N2CCO[C@H](COC(C)C)C2)C1 ZINC001360010754 1064804591 /nfs/dbraw/zinc/80/45/91/1064804591.db2.gz VWDSOASSKYROCJ-VXKWHMMOSA-N 1 1 490.092 4.597 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@@H](C)CC(C)(C)C2)C1 ZINC001360012019 1064807409 /nfs/dbraw/zinc/80/74/09/1064807409.db2.gz KQXWNVIIYKAHDV-SFTDATJTSA-N 1 1 486.730 4.510 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(N3CCO[C@H](c4ccc(F)c(F)c4)C3)nnc2C(C)(C)C)C1 ZINC001360011815 1064807494 /nfs/dbraw/zinc/80/74/94/1064807494.db2.gz IVIZOHDULAIXKS-CVDCTZTESA-N 1 1 475.628 4.800 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CCSC[C@@H]2C)C1 ZINC001360012729 1064810165 /nfs/dbraw/zinc/81/01/65/1064810165.db2.gz VGJPXACMKXRNJO-PMACEKPBSA-N 1 1 478.106 4.820 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@H]3CCCO3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)C1 ZINC001360012739 1064811209 /nfs/dbraw/zinc/81/12/09/1064811209.db2.gz VGZBCLRXLZGWNC-IAGOWNOFSA-N 1 1 486.608 4.609 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](C(C)(C)C)C2)C1 ZINC001360012998 1064811323 /nfs/dbraw/zinc/81/13/23/1064811323.db2.gz ZYRQTJVGGYYNHU-MOUTVQLLSA-N 1 1 489.749 4.816 20 0 JJADMO CC(C)(C)OC(=O)Nc1cccc(CC(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)c1 ZINC001360026780 1064828349 /nfs/dbraw/zinc/82/83/49/1064828349.db2.gz GYMFANSJPZDLLR-UHFFFAOYSA-N 1 1 459.631 4.506 20 0 JJADMO CN(Cc1cc(Br)cn1C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001435558289 1064829662 /nfs/dbraw/zinc/82/96/62/1064829662.db2.gz RXPYFKTVGXZAHD-NHCUHLMSSA-N 1 1 472.452 4.723 20 0 JJADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[C@@H](C)CC2)C1 ZINC001360034239 1064838152 /nfs/dbraw/zinc/83/81/52/1064838152.db2.gz CYRJWCOTZLGDSV-UYAOXDASSA-N 1 1 464.029 4.721 20 0 JJADMO 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CC(C)CSCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001360082708 1064942810 /nfs/dbraw/zinc/94/28/10/1064942810.db2.gz KGFFASPBYJBPGO-SFHVURJKSA-N 1 1 496.494 4.910 20 0 JJADMO CC(C)CSCCn1c(-c2cccnc2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001360083099 1064944739 /nfs/dbraw/zinc/94/47/39/1064944739.db2.gz WWOYAMUXOFTBHL-XMMPIXPASA-N 1 1 464.683 4.830 20 0 JJADMO C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001435699442 1064945633 /nfs/dbraw/zinc/94/56/33/1064945633.db2.gz BJEHUPKIEBBXMT-TUACAJSNSA-N 1 1 457.659 4.877 20 0 JJADMO C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001435699435 1064945716 /nfs/dbraw/zinc/94/57/16/1064945716.db2.gz BJEHUPKIEBBXMT-NKKJXINNSA-N 1 1 457.659 4.877 20 0 JJADMO Cc1c(C(=O)NCCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)cccc1-c1ccccn1 ZINC001435722571 1064955200 /nfs/dbraw/zinc/95/52/00/1064955200.db2.gz DGBDINDQJDGOPN-SZPZYZBQSA-N 1 1 457.618 4.996 20 0 JJADMO 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CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCN2CCOCC2)CC1 ZINC001360092554 1064961955 /nfs/dbraw/zinc/96/19/55/1064961955.db2.gz JTSMHZHTZUHPAN-UHFFFAOYSA-N 1 1 496.744 4.522 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(C2CCCC2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001360092596 1064962951 /nfs/dbraw/zinc/96/29/51/1064962951.db2.gz LKXARLZRLCFTEK-UHFFFAOYSA-N 1 1 470.065 4.848 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCCCCCC1 ZINC001360092806 1064963780 /nfs/dbraw/zinc/96/37/80/1064963780.db2.gz UCKPZNTUEOKCMP-UHFFFAOYSA-N 1 1 494.709 4.929 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(C2CC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001360092711 1064963918 /nfs/dbraw/zinc/96/39/18/1064963918.db2.gz PFVAOJCFWPLOSO-XMMPIXPASA-N 1 1 496.700 4.880 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCc2ccccn2)CC1 ZINC001360092800 1064964074 /nfs/dbraw/zinc/96/40/74/1064964074.db2.gz TVVZFRKFHMTBHJ-UHFFFAOYSA-N 1 1 453.034 4.793 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(Cc2cccnc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001360092862 1064964757 /nfs/dbraw/zinc/96/47/57/1064964757.db2.gz VJKJZYWXCDZZFW-LJAQVGFWSA-N 1 1 490.696 4.794 20 0 JJADMO COc1ccc(-c2nnc(NC(=O)c3ccccc3OCC[N@H+]3CCCC[C@@H]3C)s2)cc1 ZINC001435736575 1064964904 /nfs/dbraw/zinc/96/49/04/1064964904.db2.gz KRHHRUHKHXZJDS-KRWDZBQOSA-N 1 1 452.580 4.719 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccccc3F)n2CC2(O)CCCCCC2)CC1 ZINC001360094609 1064966891 /nfs/dbraw/zinc/96/68/91/1064966891.db2.gz GLVAXDCBSURRAJ-UHFFFAOYSA-N 1 1 457.638 4.726 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(C3CCCC3)n2CCOc2cccc(C(F)(F)F)n2)CC1 ZINC001360094938 1064967900 /nfs/dbraw/zinc/96/79/00/1064967900.db2.gz QOCOQYAOATZFHN-UHFFFAOYSA-N 1 1 494.606 4.985 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CSCCS2)CC1 ZINC001360095212 1064968133 /nfs/dbraw/zinc/96/81/33/1064968133.db2.gz AEZHNBNJOUOLRF-XMMPIXPASA-N 1 1 487.783 4.859 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC2CC2)CC1 ZINC001360095038 1064968651 /nfs/dbraw/zinc/96/86/51/1064968651.db2.gz UTLYJOHKEGCCJR-QHCPKHFHSA-N 1 1 488.721 4.749 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC(C)(F)F)CC1 ZINC001360095497 1064969770 /nfs/dbraw/zinc/96/97/70/1064969770.db2.gz KVULITHJYICAFX-BGYRXZFFSA-N 1 1 498.663 4.651 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[C@H]2C[C@H](F)C2)CC1 ZINC001360095874 1064970841 /nfs/dbraw/zinc/97/08/41/1064970841.db2.gz SKWYIRDDABEPHS-SSGKUCQKSA-N 1 1 463.686 4.892 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCc2cccnc2)CC1 ZINC001360096070 1064971789 /nfs/dbraw/zinc/97/17/89/1064971789.db2.gz WDXKGSIWYCMCML-UHFFFAOYSA-N 1 1 467.061 4.717 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 ZINC001360097245 1064973135 /nfs/dbraw/zinc/97/31/35/1064973135.db2.gz AOGZAHMMZGASBD-FQEVSTJZSA-N 1 1 456.997 4.857 20 0 JJADMO 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CC(C)[N@@H+](C)CCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001360100443 1064979847 /nfs/dbraw/zinc/97/98/47/1064979847.db2.gz MSHZBJQTCGLYDO-DEOSSOPVSA-N 1 1 492.590 4.686 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccc(Cl)cc2)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 ZINC001360101693 1064981537 /nfs/dbraw/zinc/98/15/37/1064981537.db2.gz XXDZORKCUKLNGF-LJQANCHMSA-N 1 1 463.964 4.773 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC001360101418 1064981570 /nfs/dbraw/zinc/98/15/70/1064981570.db2.gz OHWVLLSBEMUKJN-HXUWFJFHSA-N 1 1 474.074 4.972 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 ZINC001360103191 1064982455 /nfs/dbraw/zinc/98/24/55/1064982455.db2.gz BPBIMFSLXIJPMG-IBGZPJMESA-N 1 1 488.105 4.682 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001360103557 1064983051 /nfs/dbraw/zinc/98/30/51/1064983051.db2.gz QCODKVNVAKUMKU-RDGATRHJSA-N 1 1 483.701 4.890 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(CC2CC2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001360103483 1064983442 /nfs/dbraw/zinc/98/34/42/1064983442.db2.gz NIVWDIUCURUAGR-QGZVFWFLSA-N 1 1 470.609 4.820 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(N2CCO[C@H](C(C)(C)C)C2)nnc1C1(c2ccccc2)CCC1 ZINC001360103812 1064983904 /nfs/dbraw/zinc/98/39/04/1064983904.db2.gz YTCQSCUPIGOKFN-QHCPKHFHSA-N 1 1 453.675 4.730 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CCc2ccccc2CC1 ZINC001360103993 1064985230 /nfs/dbraw/zinc/98/52/30/1064985230.db2.gz GQKZDBGTMLFWAO-UHFFFAOYSA-N 1 1 474.472 4.715 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CCc2ccccc21 ZINC001360104443 1064985656 /nfs/dbraw/zinc/98/56/56/1064985656.db2.gz RLVNSVILWPZSCG-HXUWFJFHSA-N 1 1 471.447 4.510 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H]2CC[C@@H]21 ZINC001360104734 1064985888 /nfs/dbraw/zinc/98/58/88/1064985888.db2.gz WJJNCRYYMIAXBP-BEFAXECRSA-N 1 1 450.400 4.566 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CC[C@H](c2ccco2)C1 ZINC001360106659 1064987953 /nfs/dbraw/zinc/98/79/53/1064987953.db2.gz MFGIGTYVWQYXMI-KRWDZBQOSA-N 1 1 458.404 4.635 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2cccc3cccnc32)nnc1N(C)Cc1ccc(Br)o1 ZINC001360106562 1064988115 /nfs/dbraw/zinc/98/81/15/1064988115.db2.gz IRIDUZFCDGHZHF-UHFFFAOYSA-N 1 1 483.414 4.825 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001360107118 1064989556 /nfs/dbraw/zinc/98/95/56/1064989556.db2.gz CQKBQPYDBZMUHS-INIZCTEOSA-N 1 1 479.576 4.540 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001360107119 1064989623 /nfs/dbraw/zinc/98/96/23/1064989623.db2.gz CQKBQPYDBZMUHS-MRXNPFEDSA-N 1 1 479.576 4.540 20 0 JJADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)c1cccs1 ZINC001360111147 1064992328 /nfs/dbraw/zinc/99/23/28/1064992328.db2.gz ZSBPSTRCBNGBBL-VQTJNVASSA-N 1 1 490.718 4.992 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(Br)cc2)nnc1N1CCCCCCC1 ZINC001360112471 1064994242 /nfs/dbraw/zinc/99/42/42/1064994242.db2.gz FBVFFCMHRXSICW-UHFFFAOYSA-N 1 1 464.452 4.730 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(Cn2cccn2)CC1 ZINC001360113463 1064995737 /nfs/dbraw/zinc/99/57/37/1064995737.db2.gz CDEDGPXQGMGWOG-UHFFFAOYSA-N 1 1 488.105 4.677 20 0 JJADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC001360113931 1064996281 /nfs/dbraw/zinc/99/62/81/1064996281.db2.gz SZUVEISDICCRNG-XPWALMASSA-N 1 1 490.092 4.768 20 0 JJADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC001360113902 1064996362 /nfs/dbraw/zinc/99/63/62/1064996362.db2.gz SCYXQQDKGQHFHX-ISJGIBHGSA-N 1 1 483.701 4.723 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1cc(F)ccc1Br ZINC001360113811 1064996402 /nfs/dbraw/zinc/99/64/02/1064996402.db2.gz PLDIJPMZLRIATG-UHFFFAOYSA-N 1 1 490.425 4.927 20 0 JJADMO CC(C)N(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001360115655 1064998430 /nfs/dbraw/zinc/99/84/30/1064998430.db2.gz FJIYTDRMQNXSJF-XMMPIXPASA-N 1 1 464.633 4.938 20 0 JJADMO CCN(C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001435810418 1065004256 /nfs/dbraw/zinc/00/42/56/1065004256.db2.gz ZASLCYDWXDVINR-JOCHJYFZSA-N 1 1 456.512 4.936 20 0 JJADMO CC(C)N(Cc1cccs1)c1nnc(Cc2ccccn2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001360123942 1065015852 /nfs/dbraw/zinc/01/58/52/1065015852.db2.gz QCSXEVOJINBTQT-QFIPXVFZSA-N 1 1 452.672 4.861 20 0 JJADMO C[C@@H](NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001435851094 1065023175 /nfs/dbraw/zinc/02/31/75/1065023175.db2.gz FRVTWKFCYZTPMC-CABCVRRESA-N 1 1 452.382 4.943 20 0 JJADMO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCCC2)c1 ZINC001360132878 1065027807 /nfs/dbraw/zinc/02/78/07/1065027807.db2.gz YKLXGWBKLHAMJC-RPWUZVMVSA-N 1 1 457.659 4.939 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)CCC2CCOCC2)C1 ZINC001360138475 1065034060 /nfs/dbraw/zinc/03/40/60/1065034060.db2.gz GUQMGQXZWDVEFK-OAQYLSRUSA-N 1 1 491.627 4.920 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3ccccc3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001360138186 1065034281 /nfs/dbraw/zinc/03/42/81/1065034281.db2.gz BSCFYYMCQVHLMJ-GMAHTHKFSA-N 1 1 482.673 4.559 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3ccc(F)cc3Br)nnc2N(C)CCCCCO)C1 ZINC001360138689 1065034657 /nfs/dbraw/zinc/03/46/57/1065034657.db2.gz JHOFZSJEEUCORU-SFHVURJKSA-N 1 1 496.469 4.566 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)C[C@H]2CC=CCC2)C1 ZINC001360139151 1065035726 /nfs/dbraw/zinc/03/57/26/1065035726.db2.gz NWJJQLHZDFBAHZ-XZOQPEGZSA-N 1 1 499.103 4.774 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)C1 ZINC001360139312 1065035775 /nfs/dbraw/zinc/03/57/75/1065035775.db2.gz PXFOFMFNJYCFDV-MOPGFXCFSA-N 1 1 499.025 4.792 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3ccc[nH]3)nnc2N(C)CCOc2ccccc2Cl)C1 ZINC001360139625 1065036367 /nfs/dbraw/zinc/03/63/67/1065036367.db2.gz RYFRTOGKHRDFIH-LJQANCHMSA-N 1 1 457.022 4.562 20 0 JJADMO O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)c1ccc(Br)c(Cl)c1F ZINC001435875155 1065038275 /nfs/dbraw/zinc/03/82/75/1065038275.db2.gz DEXQWCXMXQWLNJ-CQSZACIVSA-N 1 1 457.796 4.589 20 0 JJADMO O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)c1ccc(Br)c(Cl)c1F ZINC001435875155 1065038290 /nfs/dbraw/zinc/03/82/90/1065038290.db2.gz DEXQWCXMXQWLNJ-CQSZACIVSA-N 1 1 457.796 4.589 20 0 JJADMO CC(C)(C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)c1csc(-c2cccs2)n1 ZINC001435876412 1065039703 /nfs/dbraw/zinc/03/97/03/1065039703.db2.gz WMSXLQOHCVQOEY-SFHVURJKSA-N 1 1 457.690 4.883 20 0 JJADMO CC(C)(C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)c1csc(-c2cccs2)n1 ZINC001435876412 1065039719 /nfs/dbraw/zinc/03/97/19/1065039719.db2.gz WMSXLQOHCVQOEY-SFHVURJKSA-N 1 1 457.690 4.883 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(N3CCN(c4ncc(Cl)cc4Cl)CC3)nnc2C(C)(C)C)C1 ZINC001360141059 1065039693 /nfs/dbraw/zinc/03/96/93/1065039693.db2.gz LQHQAIAOOVBNBE-SFHVURJKSA-N 1 1 494.515 4.724 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3cccnc3)nnc2N(C)[C@H](C)c2cc(F)ccc2F)C1 ZINC001360141909 1065040786 /nfs/dbraw/zinc/04/07/86/1065040786.db2.gz STZZKTHOXIKTNV-CTNGQTDRSA-N 1 1 468.596 4.860 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)C1 ZINC001360141969 1065041946 /nfs/dbraw/zinc/04/19/46/1065041946.db2.gz UDIDEKLSQNKZIF-XXBNENTESA-N 1 1 499.647 4.581 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCOCC(F)F)CC1 ZINC001360143270 1065043678 /nfs/dbraw/zinc/04/36/78/1065043678.db2.gz CRPLJMAFQLOTDM-UHFFFAOYSA-N 1 1 463.617 4.835 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCOc2ccc(Cl)cn2)CC1 ZINC001360143580 1065044561 /nfs/dbraw/zinc/04/45/61/1065044561.db2.gz ISZJHWNXHOWMKH-UHFFFAOYSA-N 1 1 475.424 4.646 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Br)s3)n2CCC(C)(F)F)CC1 ZINC001360143822 1065044586 /nfs/dbraw/zinc/04/45/86/1065044586.db2.gz NNEBKBDTXCLVHL-UHFFFAOYSA-N 1 1 462.408 4.735 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CCC2(F)CCC2)CC1 ZINC001360144044 1065045014 /nfs/dbraw/zinc/04/50/14/1065045014.db2.gz RZYMPUAXVQQMMV-UHFFFAOYSA-N 1 1 464.427 4.910 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cccnc3)n2Cc2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC001360144433 1065045865 /nfs/dbraw/zinc/04/58/65/1065045865.db2.gz INEIHCQWHYMBKU-UHFFFAOYSA-N 1 1 491.640 4.656 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCCC(=O)N(C)C)CC1 ZINC001360144293 1065045927 /nfs/dbraw/zinc/04/59/27/1065045927.db2.gz YMWOLONLLPPBKK-UHFFFAOYSA-N 1 1 489.089 4.602 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(C3CC3)n2C[C@@H](F)c2ccc(Br)cc2)CC1 ZINC001360144275 1065046290 /nfs/dbraw/zinc/04/62/90/1065046290.db2.gz DPLLACZOGNTNCV-LJQANCHMSA-N 1 1 450.400 4.549 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCCCS2)CC1 ZINC001360144599 1065047029 /nfs/dbraw/zinc/04/70/29/1065047029.db2.gz PGOIROVEXSVPAQ-GOSISDBHSA-N 1 1 478.504 4.914 20 0 JJADMO CCN(Cc1ccccc1)c1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC001435890738 1065047731 /nfs/dbraw/zinc/04/77/31/1065047731.db2.gz RZQCAHDSGFLKOP-MUUNZHRXSA-N 1 1 457.618 4.734 20 0 JJADMO CC(=O)c1ccc(Oc2ccc(C(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)cc2)cc1 ZINC001435890766 1065048027 /nfs/dbraw/zinc/04/80/27/1065048027.db2.gz SFJBDWZVPPHHOC-MHZLTWQESA-N 1 1 458.558 4.702 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](F)c2ccc(Br)cc2)CC1 ZINC001360145895 1065048115 /nfs/dbraw/zinc/04/81/15/1065048115.db2.gz AIUIGKRUDCIMMB-CTNGQTDRSA-N 1 1 494.453 4.566 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(C)CCC2)CC1 ZINC001360146308 1065048384 /nfs/dbraw/zinc/04/83/84/1065048384.db2.gz IPOAUYKDCXZVLQ-UHFFFAOYSA-N 1 1 474.694 4.503 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCCCO3)n2Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC001360146724 1065048704 /nfs/dbraw/zinc/04/87/04/1065048704.db2.gz UKFAUMMBHNYCBF-FQEVSTJZSA-N 1 1 483.991 4.743 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCSC2)CC1 ZINC001360147553 1065050200 /nfs/dbraw/zinc/05/02/00/1065050200.db2.gz ZOUSGQDCDZNJJM-OAQYLSRUSA-N 1 1 471.715 4.828 20 0 JJADMO CC(C)N1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001360149428 1065052570 /nfs/dbraw/zinc/05/25/70/1065052570.db2.gz NZKKHOPCQMZUFK-UHFFFAOYSA-N 1 1 472.747 4.925 20 0 JJADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)[C@@H](C)C1 ZINC001360150787 1065055213 /nfs/dbraw/zinc/05/52/13/1065055213.db2.gz LRFNWPYOXFLICR-UWJYYQICSA-N 1 1 452.039 4.582 20 0 JJADMO CC(C)N1CC[NH+](C2CCN(c3nnc(CC(C)(C)C)n3CCC3=CCCCC3)CC2)CC1 ZINC001360156314 1065057798 /nfs/dbraw/zinc/05/77/98/1065057798.db2.gz XFQPFJYGXQFNJJ-UHFFFAOYSA-N 1 1 456.723 4.752 20 0 JJADMO CC(C)NC(=O)c1nnc(N(Cc2ccc(F)cc2)C(C)C)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001360181577 1065068747 /nfs/dbraw/zinc/06/87/47/1065068747.db2.gz KAFMHPSVGHWXBQ-DEOSSOPVSA-N 1 1 484.664 4.768 20 0 JJADMO CC(C)NC(=O)c1nnc(N(Cc2ccco2)C(C)C)n1C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001360183159 1065070178 /nfs/dbraw/zinc/07/01/78/1065070178.db2.gz PQHKMQAIRRDAGK-XMMPIXPASA-N 1 1 492.668 4.727 20 0 JJADMO CC(C)c1cccc(-c2ccc(C(=O)NCc3cccc(C[N@H+]4CCC[C@@H](C(N)=O)C4)c3)o2)c1 ZINC001360210762 1065081484 /nfs/dbraw/zinc/08/14/84/1065081484.db2.gz ONGLLRWLKQPITP-XMMPIXPASA-N 1 1 459.590 4.697 20 0 JJADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001360222552 1065086976 /nfs/dbraw/zinc/08/69/76/1065086976.db2.gz UGFSMKVBSLVYDK-DOIPELPJSA-N 1 1 498.638 4.801 20 0 JJADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001360222551 1065087124 /nfs/dbraw/zinc/08/71/24/1065087124.db2.gz UGFSMKVBSLVYDK-BQJUDKOJSA-N 1 1 498.638 4.801 20 0 JJADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)n1CC(C)(C)c1ccc(F)cc1 ZINC001360222259 1065087156 /nfs/dbraw/zinc/08/71/56/1065087156.db2.gz NFYQIJXOVGIMLA-YADHBBJMSA-N 1 1 498.691 4.624 20 0 JJADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001360222554 1065087259 /nfs/dbraw/zinc/08/72/59/1065087259.db2.gz UGFSMKVBSLVYDK-WOZUAGRISA-N 1 1 498.638 4.801 20 0 JJADMO CC(C)(C)OC(=O)Nc1cccc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC001436017570 1065115896 /nfs/dbraw/zinc/11/58/96/1065115896.db2.gz LXOKBHMUTNGHAC-QHCPKHFHSA-N 1 1 451.611 4.993 20 0 JJADMO C[C@H]1C[NH+](Cc2ccc(C(=O)OCc3c(F)ccc(Br)c3F)cc2)C[C@H](C)O1 ZINC001436033797 1065131418 /nfs/dbraw/zinc/13/14/18/1065131418.db2.gz MMPNAEVGCFBQEY-KBPBESRZSA-N 1 1 454.311 4.694 20 0 JJADMO CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)c3ccccc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CCOC1 ZINC001360320744 1065157144 /nfs/dbraw/zinc/15/71/44/1065157144.db2.gz DXKSUYZKHYMDDB-PRVBGKCFSA-N 1 1 483.701 4.679 20 0 JJADMO CC(C)O[C@]1(c2nnc(N(C)C3CCCCC3)n2CCCC[N@H+]2CCCC[C@H]2C)CCOC1 ZINC001360320870 1065157929 /nfs/dbraw/zinc/15/79/29/1065157929.db2.gz GZCILCYOSYUBEK-ATIYNZHBSA-N 1 1 461.695 4.742 20 0 JJADMO CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(F)c(Cl)c3)n2CC[N@@H+](C)C2CCCC2)CCOC1 ZINC001360325010 1065165750 /nfs/dbraw/zinc/16/57/50/1065165750.db2.gz WHCUSXQLWURVBS-VWLOTQADSA-N 1 1 494.055 4.622 20 0 JJADMO O=C(Oc1cc(Br)cc(F)c1F)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001436080485 1065167092 /nfs/dbraw/zinc/16/70/92/1065167092.db2.gz SULVFOQVNOCELS-RBUKOAKNSA-N 1 1 473.317 4.944 20 0 JJADMO Cc1cccc(CNC(=O)c2ccc(C(=O)NC[C@@]3(C)CC[N@@H+](Cc4ccccc4)C3)cc2)c1 ZINC001436095039 1065176269 /nfs/dbraw/zinc/17/62/69/1065176269.db2.gz HOANTFAYPQGGSP-GDLZYMKVSA-N 1 1 455.602 4.567 20 0 JJADMO CC(C)O[C@]1(c2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCCC[N@H+]2CCCC[C@H]2C)CCOC1 ZINC001360332637 1065177737 /nfs/dbraw/zinc/17/77/37/1065177737.db2.gz BDBBJMBPNZJMEB-QSEAXJEQSA-N 1 1 475.722 4.846 20 0 JJADMO CC(C)O[C@]1(c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C2CC(C(C)(C)C)C2)CCOC1 ZINC001360338770 1065187578 /nfs/dbraw/zinc/18/75/78/1065187578.db2.gz KHPXMZZCJROGBJ-IJQWPOMLSA-N 1 1 475.722 4.873 20 0 JJADMO CC(C)O[C@@]1(c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2Cc2cccc(Cl)c2)CCOC1 ZINC001360339837 1065188179 /nfs/dbraw/zinc/18/81/79/1065188179.db2.gz XWKNVABIXYROIN-SANMLTNESA-N 1 1 490.092 4.577 20 0 JJADMO CC(C)Oc1ccc(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[N@H+](C(C)C)CC2)cn1 ZINC001360354459 1065203358 /nfs/dbraw/zinc/20/33/58/1065203358.db2.gz PPFBTPVEWQJLJK-UHFFFAOYSA-N 1 1 469.033 4.750 20 0 JJADMO CC1CCC(Oc2cc(CNC(=O)c3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)ccn2)CC1 ZINC001360357874 1065209708 /nfs/dbraw/zinc/20/97/08/1065209708.db2.gz ZWJCQKGGZFFGGZ-LXLIEBNMSA-N 1 1 451.611 4.578 20 0 JJADMO CC1CCC(Oc2cc(CNC(=O)c3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)ccn2)CC1 ZINC001360357874 1065209722 /nfs/dbraw/zinc/20/97/22/1065209722.db2.gz ZWJCQKGGZFFGGZ-LXLIEBNMSA-N 1 1 451.611 4.578 20 0 JJADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2oc3c(cc(Br)cc3C)c2C)[C@H](C)C1 ZINC001360358376 1065210473 /nfs/dbraw/zinc/21/04/73/1065210473.db2.gz DVNIQGXFULMPAZ-BEFAXECRSA-N 1 1 451.405 4.679 20 0 JJADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2oc3c(cc(Br)cc3C)c2C)[C@H](C)C1 ZINC001360358377 1065210557 /nfs/dbraw/zinc/21/05/57/1065210557.db2.gz DVNIQGXFULMPAZ-DNVCBOLYSA-N 1 1 451.405 4.679 20 0 JJADMO CC(C)Oc1cccc(CN(C)c2nnc(-c3ccccn3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC001360360003 1065212738 /nfs/dbraw/zinc/21/27/38/1065212738.db2.gz NPYXDIQAISQFEI-XMMPIXPASA-N 1 1 462.642 4.884 20 0 JJADMO CC(C)OC1CCN(c2nnc(CCCc3ccccc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001360366452 1065225112 /nfs/dbraw/zinc/22/51/12/1065225112.db2.gz CBXOGRPKOPTMRJ-PSWAGMNNSA-N 1 1 497.728 4.735 20 0 JJADMO CC(C)OC1CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001360367717 1065226695 /nfs/dbraw/zinc/22/66/95/1065226695.db2.gz ZRZYYGYPUAEPBL-XMMPIXPASA-N 1 1 483.060 4.614 20 0 JJADMO O=C(Nc1nc(-c2ccc(Br)cn2)cs1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001436205740 1065250393 /nfs/dbraw/zinc/25/03/93/1065250393.db2.gz OJAJWVCGYIQWHX-MRXNPFEDSA-N 1 1 457.397 4.818 20 0 JJADMO CC(C)[C@H](SCc1ccccc1)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001360387121 1065251899 /nfs/dbraw/zinc/25/18/99/1065251899.db2.gz AEZFXPNEFPEIAT-RPWUZVMVSA-N 1 1 453.652 4.749 20 0 JJADMO CC(C)OCCn1c(Cc2ccsc2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001360406800 1065269345 /nfs/dbraw/zinc/26/93/45/1065269345.db2.gz XDPXQYPPMDDLTC-URXFXBBRSA-N 1 1 467.683 4.845 20 0 JJADMO CC(C)OCC[NH+]1CCN(c2nnc(COc3ccccc3F)n2C2CC(C(C)(C)C)C2)CC1 ZINC001360413453 1065276428 /nfs/dbraw/zinc/27/64/28/1065276428.db2.gz YXSKMLFUUYFMID-UHFFFAOYSA-N 1 1 473.637 4.540 20 0 JJADMO C[C@@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cc(Cl)cc(Cl)n1 ZINC001436259703 1065278775 /nfs/dbraw/zinc/27/87/75/1065278775.db2.gz WSBOWIMOWCHWGZ-LLVKDONJSA-N 1 1 458.187 4.544 20 0 JJADMO CC(C)SCCn1c(-c2cccnc2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001360417901 1065282688 /nfs/dbraw/zinc/28/26/88/1065282688.db2.gz IXVKPUGWXLXOKN-HSZRJFAPSA-N 1 1 450.656 4.583 20 0 JJADMO CC(C)SCCn1c(Cc2ccccn2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001360421933 1065287889 /nfs/dbraw/zinc/28/78/89/1065287889.db2.gz QBWHRVYVUSRRKZ-QFIPXVFZSA-N 1 1 470.731 4.886 20 0 JJADMO CC(C)SCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001360423553 1065291558 /nfs/dbraw/zinc/29/15/58/1065291558.db2.gz WOTQHYPODXVRIZ-IFMALSPDSA-N 1 1 471.715 4.969 20 0 JJADMO CC(C)[C@@H]1C[C@H]1n1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001360427293 1065297294 /nfs/dbraw/zinc/29/72/94/1065297294.db2.gz AJAOHUXDVLHVDD-AZUAARDMSA-N 1 1 496.483 4.928 20 0 JJADMO CC(C)[C@@H]1C[C@H]1n1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001360427293 1065297306 /nfs/dbraw/zinc/29/73/06/1065297306.db2.gz AJAOHUXDVLHVDD-AZUAARDMSA-N 1 1 496.483 4.928 20 0 JJADMO Cc1c(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001436364605 1065302729 /nfs/dbraw/zinc/30/27/29/1065302729.db2.gz GBIQBGOVHHQWIP-UHFFFAOYSA-N 1 1 456.512 4.984 20 0 JJADMO C[C@H](c1cc(F)ccc1F)N(C)c1nnc(Cc2ccsc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001360429672 1065304991 /nfs/dbraw/zinc/30/49/91/1065304991.db2.gz XFNJLVDYZJOXPY-QGZVFWFLSA-N 1 1 475.609 4.517 20 0 JJADMO CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)N1CC[N@@H+](CCCc2ccccc2)C[C@@H]1CC(C)C ZINC001436432392 1065317996 /nfs/dbraw/zinc/31/79/96/1065317996.db2.gz SCNTUVRAVXKLTR-UPVQGACJSA-N 1 1 459.675 4.824 20 0 JJADMO Cc1c(C(=O)N2CC[N@H+](CCCc3ccccc3)C[C@@H]2CC(C)C)nnn1-c1ccc(C)cc1 ZINC001436432823 1065318222 /nfs/dbraw/zinc/31/82/22/1065318222.db2.gz TVTHMPYVISXFNU-SANMLTNESA-N 1 1 459.638 4.689 20 0 JJADMO CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)N1CC[N@@H+](CCCc2ccccc2)C[C@@H]1CC(C)C ZINC001436432395 1065318271 /nfs/dbraw/zinc/31/82/71/1065318271.db2.gz SCNTUVRAVXKLTR-VWNXMTODSA-N 1 1 459.675 4.824 20 0 JJADMO CC(=O)N[C@H](CC(=O)N1CC[N@H+](CCCc2ccccc2)C[C@H]1CC(C)C)c1cccs1 ZINC001436435749 1065319010 /nfs/dbraw/zinc/31/90/10/1065319010.db2.gz YYEIWUPWKHWJRD-DNQXCXABSA-N 1 1 455.668 4.507 20 0 JJADMO CCOC(=O)c1ccc(C(=O)N(Cc2ccncc2)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001436447590 1065321717 /nfs/dbraw/zinc/32/17/17/1065321717.db2.gz VGRNKLVPRUJJJE-AREMUKBSSA-N 1 1 457.574 4.565 20 0 JJADMO C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001360439379 1065321861 /nfs/dbraw/zinc/32/18/61/1065321861.db2.gz IWASLXCTBVUXRN-AAKBJARWSA-N 1 1 494.709 4.930 20 0 JJADMO COCc1cc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc(C(=O)OC)c1 ZINC001436460343 1065323532 /nfs/dbraw/zinc/32/35/32/1065323532.db2.gz BPSWQYGLRVNLLO-GGXMVOPNSA-N 1 1 472.585 4.648 20 0 JJADMO CCC[C@H]1CN(C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)CC[N@H+]1CCOC ZINC001545898891 1065333262 /nfs/dbraw/zinc/33/32/62/1065333262.db2.gz DDYKFQMWNSDIQF-IBGZPJMESA-N 1 1 451.542 4.721 20 0 JJADMO C[C@H](c1ccccc1F)N(C)c1nnc(C(C)(C)C)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001360452718 1065347335 /nfs/dbraw/zinc/34/73/35/1065347335.db2.gz QQCVJBRYMYOAFF-OAQYLSRUSA-N 1 1 479.648 4.519 20 0 JJADMO C[C@H](c1ccco1)N(C)c1nnc(-c2ccccc2Br)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001360456615 1065356588 /nfs/dbraw/zinc/35/65/88/1065356588.db2.gz RSGDJVYKYCGRBA-JKSUJKDBSA-N 1 1 458.404 4.981 20 0 JJADMO C[C@H]1C[C@H](N(C)C(=O)COCCc2ccc(Br)cc2)CC[N@H+]1Cc1ccccc1 ZINC001360458966 1065359552 /nfs/dbraw/zinc/35/95/52/1065359552.db2.gz CYLFYPVCJLUGRT-WMZHIEFXSA-N 1 1 459.428 4.520 20 0 JJADMO C[C@@H](c1ccco1)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001360461358 1065366672 /nfs/dbraw/zinc/36/66/72/1065366672.db2.gz TULKDGQYAJFUOG-SLFFLAALSA-N 1 1 486.661 4.714 20 0 JJADMO C[C@H](c1ccco1)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001360461357 1065366715 /nfs/dbraw/zinc/36/67/15/1065366715.db2.gz TULKDGQYAJFUOG-AQNXPRMDSA-N 1 1 486.661 4.714 20 0 JJADMO C[C@H](c1cccs1)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[N@@H+](C)C1CCCCC1 ZINC001360466072 1065376039 /nfs/dbraw/zinc/37/60/39/1065376039.db2.gz HKKAEMJXAIVWOO-GOSISDBHSA-N 1 1 486.711 4.793 20 0 JJADMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@](C)(O)C2CCCCC2)CC1 ZINC001360466109 1065376534 /nfs/dbraw/zinc/37/65/34/1065376534.db2.gz IHCPJCJUZQQDRU-DFBJGRDBSA-N 1 1 459.704 4.852 20 0 JJADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCCCO)CC1 ZINC001360467957 1065382970 /nfs/dbraw/zinc/38/29/70/1065382970.db2.gz VDMAZOMYSJSLSE-LJQANCHMSA-N 1 1 474.074 4.630 20 0 JJADMO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC001360470593 1065388994 /nfs/dbraw/zinc/38/89/94/1065388994.db2.gz WYOXJQVJGXFYST-LJQANCHMSA-N 1 1 453.384 4.712 20 0 JJADMO CO[C@@](C)(C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccccc1F ZINC001436630731 1065408293 /nfs/dbraw/zinc/40/82/93/1065408293.db2.gz CNPMPFDSKCTRQA-GEWUYGHSSA-N 1 1 450.529 4.611 20 0 JJADMO C[C@@H](Cc1cccs1)Cn1c(-c2ccccc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001360497980 1065415673 /nfs/dbraw/zinc/41/56/73/1065415673.db2.gz NAOXJHYYLBLWDF-NRFANRHFSA-N 1 1 467.683 4.680 20 0 JJADMO O=C(Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360503718 1065433354 /nfs/dbraw/zinc/43/33/54/1065433354.db2.gz PETAXNXELDTYCV-FQEVSTJZSA-N 1 1 457.452 4.732 20 0 JJADMO O=C(Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360503718 1065433360 /nfs/dbraw/zinc/43/33/60/1065433360.db2.gz PETAXNXELDTYCV-FQEVSTJZSA-N 1 1 457.452 4.732 20 0 JJADMO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001545901385 1065438057 /nfs/dbraw/zinc/43/80/57/1065438057.db2.gz LLTJWIPXTMBNTJ-MRXNPFEDSA-N 1 1 454.373 4.713 20 0 JJADMO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1)[N@@H+](C)C1CC1 ZINC001360505058 1065439009 /nfs/dbraw/zinc/43/90/09/1065439009.db2.gz GWXHPACTRXFUNQ-MFVTWZDWSA-N 1 1 483.701 4.843 20 0 JJADMO C[C@H]1C[NH+](Cc2ccc(C(=O)NCc3cc(Cl)cc(Br)c3)cc2)C[C@H](C)O1 ZINC001436791837 1065441919 /nfs/dbraw/zinc/44/19/19/1065441919.db2.gz SPFJONMJQOOAGU-GJZGRUSLSA-N 1 1 451.792 4.642 20 0 JJADMO C[C@H](CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360508820 1065448113 /nfs/dbraw/zinc/44/81/13/1065448113.db2.gz JGEUIUJELIFKKX-HSALFYBXSA-N 1 1 456.585 4.911 20 0 JJADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)/C(=C\c1ccc(OC)cc1)c1cccs1 ZINC001436843175 1065450383 /nfs/dbraw/zinc/45/03/83/1065450383.db2.gz GTHISDQZRYWNEP-JRCDKVLCSA-N 1 1 476.642 4.951 20 0 JJADMO C[C@@H](CCn1c(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001360510262 1065453538 /nfs/dbraw/zinc/45/35/38/1065453538.db2.gz HCJNWCUOKMRLLD-GMAHTHKFSA-N 1 1 498.716 4.837 20 0 JJADMO C[C@@H](CCn1c(CC(C)(C)C)nnc1N1CCN(CCc2cccs2)CC1)[NH+]1CCCCC1 ZINC001360510947 1065455777 /nfs/dbraw/zinc/45/57/77/1065455777.db2.gz RNLHNBQBWFMLJT-QFIPXVFZSA-N 1 1 472.747 4.557 20 0 JJADMO C[C@H](CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001360511600 1065457422 /nfs/dbraw/zinc/45/74/22/1065457422.db2.gz YUVBVQGHABHETJ-HSZRJFAPSA-N 1 1 494.728 4.616 20 0 JJADMO C[C@@H](CCn1c(CC(C)(C)C)nnc1N1CCC(O)(C(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC001360511780 1065458319 /nfs/dbraw/zinc/45/83/19/1065458319.db2.gz ZVZWCRFTKUDOOB-IBGZPJMESA-N 1 1 481.607 4.671 20 0 JJADMO C[C@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H]1CCCOC1)[N@@H+](C)Cc1ccccc1 ZINC001360513680 1065461583 /nfs/dbraw/zinc/46/15/83/1065461583.db2.gz FOMQYGFZNFULMH-BIGMCNFVSA-N 1 1 497.728 4.970 20 0 JJADMO C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nnc1C(C)(C)C ZINC001360519527 1065487577 /nfs/dbraw/zinc/48/75/77/1065487577.db2.gz OQKZJQJYQZPKNT-KCZVDYSFSA-N 1 1 488.721 4.532 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)C[C@H](C)c1nccs1 ZINC001360520303 1065492322 /nfs/dbraw/zinc/49/23/22/1065492322.db2.gz DKUPQQKKTNQIMM-IBGZPJMESA-N 1 1 465.671 4.864 20 0 JJADMO CCc1nc(C(=O)N(C(C)C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1-c1ccccc1Cl ZINC001437029116 1065498787 /nfs/dbraw/zinc/49/87/87/1065498787.db2.gz LUDMSTFUENWEGN-FQEVSTJZSA-N 1 1 452.002 4.608 20 0 JJADMO C[C@H](CN(C)c1nnc(CC(C)(C)C)n1CC[N@H+]1CCc2ccccc2C1)c1nccs1 ZINC001360526841 1065505928 /nfs/dbraw/zinc/50/59/28/1065505928.db2.gz URTHHURQUKLQFF-LJQANCHMSA-N 1 1 452.672 4.621 20 0 JJADMO O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001545904930 1065510551 /nfs/dbraw/zinc/51/05/51/1065510551.db2.gz KDWMJZWYHJBBEZ-SCLBCKFNSA-N 1 1 450.423 4.578 20 0 JJADMO CCNC(=O)Oc1cccc(OC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)c1 ZINC001437181790 1065517294 /nfs/dbraw/zinc/51/72/94/1065517294.db2.gz MDXFPFGLXLIRIC-FGZHOGPDSA-N 1 1 450.560 4.678 20 0 JJADMO C[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1ccsc1)[NH+]1CCOCC1 ZINC001360540068 1065524360 /nfs/dbraw/zinc/52/43/60/1065524360.db2.gz DEBXEYGCEUKHGO-IBGZPJMESA-N 1 1 453.656 4.661 20 0 JJADMO C[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001360540615 1065525672 /nfs/dbraw/zinc/52/56/72/1065525672.db2.gz HNTDDBUNLQHUBR-REWPJTCUSA-N 1 1 494.728 4.856 20 0 JJADMO C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](C(F)(F)F)C1)[N@@H+](C)C1CC1 ZINC001360541133 1065527302 /nfs/dbraw/zinc/52/73/02/1065527302.db2.gz IFCAAMJUWGUGTO-ZIAGYGMSSA-N 1 1 459.919 4.999 20 0 JJADMO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccsc1)[N@@H+](C)C1CC1 ZINC001360541521 1065528591 /nfs/dbraw/zinc/52/85/91/1065528591.db2.gz QLXPBGSWBNKAGC-CYBMUJFWSA-N 1 1 466.474 4.950 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001437286544 1065531272 /nfs/dbraw/zinc/53/12/72/1065531272.db2.gz GFAGWVQYFMHYEG-KELGSRBJSA-N 1 1 457.659 4.685 20 0 JJADMO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCC(F)F)[N@H+]1CCc2ccccc2C1 ZINC001360542628 1065531909 /nfs/dbraw/zinc/53/19/09/1065531909.db2.gz ZVEJPWJZTLTWDM-MRXNPFEDSA-N 1 1 460.960 4.532 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2Cc2ccccc2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001545906180 1065535846 /nfs/dbraw/zinc/53/58/46/1065535846.db2.gz SOAIQWTXCATKJH-RDGATRHJSA-N 1 1 494.728 4.919 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3CCC[C@H]32)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001545906423 1065540347 /nfs/dbraw/zinc/54/03/47/1065540347.db2.gz YNMWVUYWXSYTKT-CDNPAEQRSA-N 1 1 487.092 4.922 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3CCC[C@H]32)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001545906424 1065540991 /nfs/dbraw/zinc/54/09/91/1065540991.db2.gz YNMWVUYWXSYTKT-NMNUPHIUSA-N 1 1 487.092 4.922 20 0 JJADMO C[C@H](Cn1c(-c2cccnc2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1)[N@@H+](C)C1CC1 ZINC001360549792 1065541724 /nfs/dbraw/zinc/54/17/24/1065541724.db2.gz ZDDHFOHCMBSMEB-IIBYNOLFSA-N 1 1 487.421 4.732 20 0 JJADMO CCCS(=O)(=O)Nc1cccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)c1 ZINC001360551747 1065543565 /nfs/dbraw/zinc/54/35/65/1065543565.db2.gz XXBFFFPXNHCWBF-LOSJGSFVSA-N 1 1 469.651 4.715 20 0 JJADMO C[C@H](Cn1c(C2CCCC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360560275 1065550297 /nfs/dbraw/zinc/55/02/97/1065550297.db2.gz UIPPYTWSDYIXLI-QPPBQGQZSA-N 1 1 496.700 4.902 20 0 JJADMO C[C@H](Cn1c(CC(C)(C)C)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)Oc1ccc(Cl)cc1 ZINC001360568290 1065560076 /nfs/dbraw/zinc/56/00/76/1065560076.db2.gz CDXLDNLOXGTXMB-HXUWFJFHSA-N 1 1 492.108 4.782 20 0 JJADMO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1)N(C)C(=O)OC(C)(C)C ZINC001360568693 1065560736 /nfs/dbraw/zinc/56/07/36/1065560736.db2.gz FLNGOLNALMIZRB-JOCHJYFZSA-N 1 1 498.716 4.834 20 0 JJADMO C[C@H](Cn1c(CC2CCCC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC001360578908 1065574513 /nfs/dbraw/zinc/57/45/13/1065574513.db2.gz OARUJAQAGDUUBC-NHCUHLMSSA-N 1 1 492.634 4.604 20 0 JJADMO C[C@H](Cn1c(Cc2ccsc2)nnc1N(C)Cc1nccs1)[N@@H+](C)Cc1ccccc1 ZINC001360579626 1065576167 /nfs/dbraw/zinc/57/61/67/1065576167.db2.gz TUUHPUIQPOZNEH-GOSISDBHSA-N 1 1 452.653 4.544 20 0 JJADMO C[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H](OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001360582662 1065580116 /nfs/dbraw/zinc/58/01/16/1065580116.db2.gz PYGVDLXRHKWJOL-QPPBQGQZSA-N 1 1 453.675 4.720 20 0 JJADMO C[C@@H](Cn1c(N(C)CCCc2cc(-c3ccccc3)no2)nnc1C(C)(C)C)[N@@H+](C)C1CC1 ZINC001360586058 1065586006 /nfs/dbraw/zinc/58/60/06/1065586006.db2.gz BHQCVAFKWZDEIY-IBGZPJMESA-N 1 1 450.631 4.782 20 0 JJADMO C[C@@H](Cn1c(N2CCC[C@@H](Oc3ncccc3F)C2)nnc1C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001360587484 1065589110 /nfs/dbraw/zinc/58/91/10/1065589110.db2.gz QHJPZIMEMFFGFU-RBBKRZOGSA-N 1 1 480.632 4.678 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H](C)c1cccc(C)c1 ZINC001545909726 1065614266 /nfs/dbraw/zinc/61/42/66/1065614266.db2.gz RAUHJRSSSZCRQT-NRFANRHFSA-N 1 1 468.690 4.619 20 0 JJADMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(C3CC3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001360636880 1065695961 /nfs/dbraw/zinc/69/59/61/1065695961.db2.gz NCFLNJIYUZOLPL-PZJWPPBQSA-N 1 1 474.694 4.550 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(N3CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)C1 ZINC001360637597 1065700981 /nfs/dbraw/zinc/70/09/81/1065700981.db2.gz YXZBDWKALCXJGD-FKBYEOEOSA-N 1 1 490.737 4.826 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)C2(CC(=O)OC(C)(C)C)CCC2)cc1 ZINC001438323516 1065709076 /nfs/dbraw/zinc/70/90/76/1065709076.db2.gz BZAFVLAKJDDBBB-LOSJGSFVSA-N 1 1 478.633 4.682 20 0 JJADMO COc1ccc(OC(C)(C)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)cc1 ZINC001438323244 1065709210 /nfs/dbraw/zinc/70/92/10/1065709210.db2.gz BJQILGMLZSPBJW-RRPNLBNLSA-N 1 1 474.601 4.646 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 ZINC001438337770 1065711371 /nfs/dbraw/zinc/71/13/71/1065711371.db2.gz OUEDQCTYJXHURT-RRWZXMNXSA-N 1 1 464.993 4.900 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)CCCOc2cccc(C)c2)cc1 ZINC001438338074 1065711558 /nfs/dbraw/zinc/71/15/58/1065711558.db2.gz PFBCTCOLLISFPZ-WUFINQPMSA-N 1 1 458.602 4.947 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001438338483 1065712235 /nfs/dbraw/zinc/71/22/35/1065712235.db2.gz WYYBHQFNNSHASY-HUVFLSCGSA-N 1 1 457.659 4.734 20 0 JJADMO C[C@H](Cn1c(C2CCC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360641781 1065714702 /nfs/dbraw/zinc/71/47/02/1065714702.db2.gz NDMWTCLFJAYUJT-ZFGGDYGUSA-N 1 1 496.700 4.806 20 0 JJADMO C[NH+]1CCN(c2ccc(NC(=O)c3ccnc(Oc4ccc(F)cc4F)c3)cc2Cl)CC1 ZINC001360643911 1065718436 /nfs/dbraw/zinc/71/84/36/1065718436.db2.gz GXELCMYHVRZYBI-UHFFFAOYSA-N 1 1 458.896 4.810 20 0 JJADMO CSCc1c2ccccc2oc1C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001360654072 1065725963 /nfs/dbraw/zinc/72/59/63/1065725963.db2.gz BZHKYYPVPKJZPW-IBGZPJMESA-N 1 1 451.592 4.714 20 0 JJADMO Cc1ccc(Oc2ccc(C(=O)Nc3ccc(C(=O)N(C)[C@H]4CCC[N@@H+](C)C4)cc3)cc2)nc1 ZINC001360659396 1065728347 /nfs/dbraw/zinc/72/83/47/1065728347.db2.gz XSQSUPASUDLALF-QHCPKHFHSA-N 1 1 458.562 4.601 20 0 JJADMO COc1ccc(CCCCCC(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@@H+](C)C3)cc2)cc1 ZINC001360658795 1065728569 /nfs/dbraw/zinc/72/85/69/1065728569.db2.gz PTBCVCBSWUBSDP-DEOSSOPVSA-N 1 1 451.611 4.603 20 0 JJADMO CCc1ccc(Br)cc1C(=O)N1CC[C@@]2(C1)C[N@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC001438863516 1065759844 /nfs/dbraw/zinc/75/98/44/1065759844.db2.gz PVQYKQXZXOGZJD-KOSHJBKYSA-N 1 1 457.412 4.517 20 0 JJADMO CCc1ccc(Br)cc1C(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC001438863516 1065759859 /nfs/dbraw/zinc/75/98/59/1065759859.db2.gz PVQYKQXZXOGZJD-KOSHJBKYSA-N 1 1 457.412 4.517 20 0 JJADMO C[C@H]1C[C@H](N(C)C(=O)Cc2noc3ccc(Br)cc32)CC[N@H+]1Cc1ccccc1 ZINC001360735395 1065763964 /nfs/dbraw/zinc/76/39/64/1065763964.db2.gz RDPPSQANBKCLLE-QFBILLFUSA-N 1 1 456.384 4.644 20 0 JJADMO C[C@@H]1C[C@@H](N(C)C(=O)c2cnnn2-c2cccc(Cl)c2Cl)CC[N@H+]1Cc1ccccc1 ZINC001360735908 1065764124 /nfs/dbraw/zinc/76/41/24/1065764124.db2.gz ZMRPDQYEWHDCRL-AEFFLSMTSA-N 1 1 458.393 4.699 20 0 JJADMO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC001360735923 1065764591 /nfs/dbraw/zinc/76/45/91/1065764591.db2.gz ZPWXLENXCVOINC-HYBUGGRVSA-N 1 1 451.611 4.836 20 0 JJADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CCc2cccs2)n1CC[N@@H+]1CC=CCC1 ZINC001360738107 1065767890 /nfs/dbraw/zinc/76/78/90/1065767890.db2.gz KCHYYKYOJSFHNG-IBGZPJMESA-N 1 1 455.603 4.560 20 0 JJADMO Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001360742414 1065777672 /nfs/dbraw/zinc/77/76/72/1065777672.db2.gz XDFIXUPINWIECH-UTKZUKDTSA-N 1 1 456.637 4.853 20 0 JJADMO C[NH+](C)[C@@H](C(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)c2ccccc21)c1cccc(Cl)c1 ZINC001439019619 1065777991 /nfs/dbraw/zinc/77/79/91/1065777991.db2.gz UXRILHMNNWBDQM-PGRDOPGGSA-N 1 1 458.002 4.988 20 0 JJADMO Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001360742416 1065778363 /nfs/dbraw/zinc/77/83/63/1065778363.db2.gz XDFIXUPINWIECH-UWJYYQICSA-N 1 1 456.637 4.853 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@H]2CCC(=O)N(c3cccc(F)c3)C2)CCCCC1 ZINC001439095834 1065784872 /nfs/dbraw/zinc/78/48/72/1065784872.db2.gz FJVBDWVNLRISTF-QFIPXVFZSA-N 1 1 451.586 4.520 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001360747626 1065789577 /nfs/dbraw/zinc/78/95/77/1065789577.db2.gz LINCCAFYGICNQI-JTHBVZDNSA-N 1 1 455.643 4.537 20 0 JJADMO CC[C@H](C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCOCC1)c1ccc(Br)cc1 ZINC001439120438 1065790158 /nfs/dbraw/zinc/79/01/58/1065790158.db2.gz CMNQVBNMXCZUIN-QFIPXVFZSA-N 1 1 459.428 4.740 20 0 JJADMO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC001439122079 1065790562 /nfs/dbraw/zinc/79/05/62/1065790562.db2.gz LSZNHUWUBJTDQX-KRWDZBQOSA-N 1 1 451.394 4.558 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2cc3ccccc3cc2OC(F)F)CCOCC1 ZINC001439122927 1065790753 /nfs/dbraw/zinc/79/07/53/1065790753.db2.gz RHSLWGSCQGXBTR-UHFFFAOYSA-N 1 1 454.517 4.852 20 0 JJADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001360749993 1065793603 /nfs/dbraw/zinc/79/36/03/1065793603.db2.gz RWZSAKZMHVTKEF-BVFVYWQFSA-N 1 1 473.637 4.683 20 0 JJADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2cscn2)n1CC[N@H+]1CCC[C@@H]1C ZINC001360753821 1065801481 /nfs/dbraw/zinc/80/14/81/1065801481.db2.gz JKSPKZXFICVNGE-IRXDYDNUSA-N 1 1 461.035 4.649 20 0 JJADMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)[C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1 ZINC001439243825 1065803802 /nfs/dbraw/zinc/80/38/02/1065803802.db2.gz CUFPGVWPIXLMSK-OPYAIIAOSA-N 1 1 451.419 4.810 20 0 JJADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CC1(C)CCC1 ZINC001360756015 1065812517 /nfs/dbraw/zinc/81/25/17/1065812517.db2.gz MYRJOWBCHYRKJM-IBGZPJMESA-N 1 1 476.065 4.809 20 0 JJADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CC1(C)CCC1 ZINC001360756015 1065812530 /nfs/dbraw/zinc/81/25/30/1065812530.db2.gz MYRJOWBCHYRKJM-IBGZPJMESA-N 1 1 476.065 4.809 20 0 JJADMO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H]1OCC[C@H]1C ZINC001360758646 1065825833 /nfs/dbraw/zinc/82/58/33/1065825833.db2.gz ULCCRHQLLDZZAL-WOIUINJBSA-N 1 1 476.065 4.807 20 0 JJADMO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCCC(C)(C)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001360759211 1065828296 /nfs/dbraw/zinc/82/82/96/1065828296.db2.gz YWYRHSIWHGAKFN-CTNGQTDRSA-N 1 1 476.065 4.545 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)CC2CCOCC2)C1 ZINC001360765018 1065847821 /nfs/dbraw/zinc/84/78/21/1065847821.db2.gz JLQAHLNPLHCJHD-RBBKRZOGSA-N 1 1 473.637 4.540 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)C[C@H]2CCCCO2)C1 ZINC001360765304 1065849000 /nfs/dbraw/zinc/84/90/00/1065849000.db2.gz OYGIJGAJAVVGBK-FDFHNCONSA-N 1 1 473.637 4.683 20 0 JJADMO Cc1c[nH+]cn1CC(=O)N[C@H](Cc1c(F)cccc1Cl)c1ccccc1Br ZINC001360766376 1065852703 /nfs/dbraw/zinc/85/27/03/1065852703.db2.gz QREHRGSKKNPHFU-LJQANCHMSA-N 1 1 450.739 4.847 20 0 JJADMO Cc1c[nH+]cn1CC(=O)N[C@@H](Cc1c(F)cccc1Cl)c1ccccc1Br ZINC001360766375 1065852795 /nfs/dbraw/zinc/85/27/95/1065852795.db2.gz QREHRGSKKNPHFU-IBGZPJMESA-N 1 1 450.739 4.847 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CC(F)(F)CO2)CC1 ZINC001360769009 1065858775 /nfs/dbraw/zinc/85/87/75/1065858775.db2.gz BYNWGXSBGFLQAB-ICSRJNTNSA-N 1 1 495.590 4.538 20 0 JJADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCCC(C)(C)C ZINC001360769029 1065859682 /nfs/dbraw/zinc/85/96/82/1065859682.db2.gz CJRWOMCWERANPC-FQRUVTKNSA-N 1 1 473.637 4.685 20 0 JJADMO CC(=O)N(CCC(=O)N[C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)Cc1ccccc1 ZINC001439759196 1065871536 /nfs/dbraw/zinc/87/15/36/1065871536.db2.gz XUQYUFJZDBVZHV-MFMCTBQISA-N 1 1 469.629 4.600 20 0 JJADMO C[C@@H]1[C@H](C(=O)N[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001439758856 1065871702 /nfs/dbraw/zinc/87/17/02/1065871702.db2.gz VRVXSBSPHOPYTP-XOSJJEKJSA-N 1 1 477.649 4.806 20 0 JJADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCSC[C@H]2C)n1CC[N@@H+](C)C1CCCCC1 ZINC001360778206 1065883845 /nfs/dbraw/zinc/88/38/45/1065883845.db2.gz LTLNWAZMNPQCGL-RTBURBONSA-N 1 1 461.651 4.763 20 0 JJADMO C[C@H](OCCCn1c(Cc2ccccn2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)c1ccccc1 ZINC001360780228 1065888799 /nfs/dbraw/zinc/88/87/99/1065888799.db2.gz FYIKMJONBYOGOU-QHCPKHFHSA-N 1 1 476.669 4.742 20 0 JJADMO CC(=O)Nc1cc(C(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc(C(F)(F)F)c1 ZINC001440048574 1065907063 /nfs/dbraw/zinc/90/70/63/1065907063.db2.gz TYFSZWPBYUQROK-CBQOVEMMSA-N 1 1 459.512 4.694 20 0 JJADMO CC(C)(C)c1nnc(N2CCC(C(=O)Nc3ccccc3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360808116 1065920896 /nfs/dbraw/zinc/92/08/96/1065920896.db2.gz GXJVDTYOXNGGEF-UHFFFAOYSA-N 1 1 466.674 4.553 20 0 JJADMO CC(C)(C)c1nnc(N2CC[C@H](COCc3ccccc3)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360808705 1065922286 /nfs/dbraw/zinc/92/22/86/1065922286.db2.gz RQLUMXIMOVDRKS-QHCPKHFHSA-N 1 1 453.675 4.741 20 0 JJADMO CC1(C)CCC[N@@H+](CCn2c(-c3cc(Br)c[nH]3)nnc2N2CC(C)(C)OC(C)(C)C2)C1 ZINC001360808826 1065922772 /nfs/dbraw/zinc/92/27/72/1065922772.db2.gz VHRWPEOEPTXBKV-UHFFFAOYSA-N 1 1 493.494 4.552 20 0 JJADMO CC(C)(C)C1=CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001360809030 1065923057 /nfs/dbraw/zinc/92/30/57/1065923057.db2.gz ZNPUUINSVBKUJN-UHFFFAOYSA-N 1 1 499.725 4.653 20 0 JJADMO CC(C)(C)c1nnc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001360830232 1065943130 /nfs/dbraw/zinc/94/31/30/1065943130.db2.gz IBZXTQHZEZXRDK-FQEVSTJZSA-N 1 1 496.483 4.571 20 0 JJADMO CC(C)(C)c1nnc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001360830232 1065943146 /nfs/dbraw/zinc/94/31/46/1065943146.db2.gz IBZXTQHZEZXRDK-FQEVSTJZSA-N 1 1 496.483 4.571 20 0 JJADMO CC(C)(C)OC(=O)N1CCc2sc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)cc2C1 ZINC001440548896 1065948528 /nfs/dbraw/zinc/94/85/28/1065948528.db2.gz ZLFNVBOZDVSWSL-SFHVURJKSA-N 1 1 459.612 4.591 20 0 JJADMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001440635088 1065956086 /nfs/dbraw/zinc/95/60/86/1065956086.db2.gz IAIKTTRTPRBWOE-CDMIOBSGSA-N 1 1 452.014 4.548 20 0 JJADMO CC[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001440644875 1065957304 /nfs/dbraw/zinc/95/73/04/1065957304.db2.gz HMHZUIVZSRNPCF-HYBUGGRVSA-N 1 1 453.627 4.814 20 0 JJADMO CC[N@@H+]1CCc2nc(NC(=O)c3csc(-c4ccc(Br)s4)n3)sc2C1 ZINC001440658553 1065959792 /nfs/dbraw/zinc/95/97/92/1065959792.db2.gz ITXRCEMZVFVECJ-UHFFFAOYSA-N 1 1 455.428 4.721 20 0 JJADMO CC[N@H+]1CCc2nc(NC(=O)c3csc(-c4ccc(Br)s4)n3)sc2C1 ZINC001440658553 1065959805 /nfs/dbraw/zinc/95/98/05/1065959805.db2.gz ITXRCEMZVFVECJ-UHFFFAOYSA-N 1 1 455.428 4.721 20 0 JJADMO Cc1sc(C)c(Cn2c(C)nnc2N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1Br ZINC001360849657 1065959860 /nfs/dbraw/zinc/95/98/60/1065959860.db2.gz WEUHHYJFZFQXQM-HNNXBMFYSA-N 1 1 474.472 4.786 20 0 JJADMO COc1cccc([C@H](CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)N(C)C)c1 ZINC001440680878 1065964756 /nfs/dbraw/zinc/96/47/56/1065964756.db2.gz YMVAGOHFDLQQAO-OYKXOOMRSA-N 1 1 471.645 4.504 20 0 JJADMO COc1cccc([C@H](CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)N(C)C)c1 ZINC001440680878 1065964766 /nfs/dbraw/zinc/96/47/66/1065964766.db2.gz YMVAGOHFDLQQAO-OYKXOOMRSA-N 1 1 471.645 4.504 20 0 JJADMO CC1=C(Br)CN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001360851962 1065966561 /nfs/dbraw/zinc/96/65/61/1065966561.db2.gz UJHKZCCGAVPZRT-UHFFFAOYSA-N 1 1 462.823 4.739 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC(C)=C(Br)C3)n2CC[N@H+]2CCCC(C)(C)C2)cs1 ZINC001360853538 1065969730 /nfs/dbraw/zinc/96/97/30/1065969730.db2.gz GMYWQSWWZCDACA-UHFFFAOYSA-N 1 1 493.519 4.635 20 0 JJADMO CC1=C(Br)CN(c2nnc(Cc3ccccn3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001360853550 1065969795 /nfs/dbraw/zinc/96/97/95/1065969795.db2.gz GVOHFZYRADBJIP-KDURUIRLSA-N 1 1 487.490 4.511 20 0 JJADMO O=C(COc1ccc2ccccc2c1Br)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001440727839 1065971429 /nfs/dbraw/zinc/97/14/29/1065971429.db2.gz OHZSCRUPNOHZIE-UHFFFAOYSA-N 1 1 453.380 4.716 20 0 JJADMO CSc1nc(-c2ccco2)nc(C)c1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001440737105 1065973352 /nfs/dbraw/zinc/97/33/52/1065973352.db2.gz YZZGYNJWQBWKIS-GOSISDBHSA-N 1 1 456.999 4.987 20 0 JJADMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cc(Cl)ccc1OC1CCCC1 ZINC001440744109 1065974837 /nfs/dbraw/zinc/97/48/37/1065974837.db2.gz DBSIMUTWUAOZHS-UHFFFAOYSA-N 1 1 456.030 4.599 20 0 JJADMO CC(C)(C)c1ccc(CSCC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC001440743836 1065974932 /nfs/dbraw/zinc/97/49/32/1065974932.db2.gz GKCQWHUAUZCHHX-UHFFFAOYSA-N 1 1 453.696 4.541 20 0 JJADMO Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1C ZINC001360862955 1065981779 /nfs/dbraw/zinc/98/17/79/1065981779.db2.gz ZCGQLIPMWYTZLT-HXUWFJFHSA-N 1 1 489.668 4.542 20 0 JJADMO Cc1nn(C)c(C)c1CN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[N@H+]1CCC[C@@H]1C ZINC001360865819 1065986007 /nfs/dbraw/zinc/98/60/07/1065986007.db2.gz JAFBEOWIKRJODG-CVDCTZTESA-N 1 1 479.673 4.506 20 0 JJADMO Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC001440886116 1065990504 /nfs/dbraw/zinc/99/05/04/1065990504.db2.gz XIDUHUYTCKKOME-FQEVSTJZSA-N 1 1 455.484 4.676 20 0 JJADMO Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC001440886116 1065990515 /nfs/dbraw/zinc/99/05/15/1065990515.db2.gz XIDUHUYTCKKOME-FQEVSTJZSA-N 1 1 455.484 4.676 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3cnn(C)c3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)c1C ZINC001360868368 1065991514 /nfs/dbraw/zinc/99/15/14/1065991514.db2.gz CJOBCKPUCIRJEL-RPWUZVMVSA-N 1 1 493.700 4.773 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3cnccn3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c1C ZINC001360869088 1065995863 /nfs/dbraw/zinc/99/58/63/1065995863.db2.gz MAKIQCLFFKSXQQ-XZOQPEGZSA-N 1 1 477.657 4.582 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccon3)n2CCC[N@H+]2CCCC[C@H]2C)c1C ZINC001360869889 1066000209 /nfs/dbraw/zinc/00/02/09/1066000209.db2.gz RQGPWQPQPULWLN-IRLDBZIGSA-N 1 1 466.630 4.924 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](C(C)C)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545937956 1066005723 /nfs/dbraw/zinc/00/57/23/1066005723.db2.gz FZSCLZFDCOMYKX-RZUBCFFCSA-N 1 1 492.778 4.531 20 0 JJADMO CS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)cc1Cl ZINC001441091803 1066007063 /nfs/dbraw/zinc/00/70/63/1066007063.db2.gz RUGFJUUMZWUGJV-LEWJYISDSA-N 1 1 476.042 4.588 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](C(C)C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)c1C ZINC001360872877 1066007281 /nfs/dbraw/zinc/00/72/81/1066007281.db2.gz AMNKUGAUTHIRDU-RPBOFIJWSA-N 1 1 496.744 4.933 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@](C)(O)C2CC2)c1C ZINC001360872831 1066007305 /nfs/dbraw/zinc/00/73/05/1066007305.db2.gz BHLZHJKDXIENQT-DWACAAAGSA-N 1 1 483.701 4.753 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCC(CCCO)CC3)n2CC[N@H+]2CCC[C@H]2C)c1C ZINC001360873749 1066010325 /nfs/dbraw/zinc/01/03/25/1066010325.db2.gz KKEVLCDAHJYRAB-GGAORHGYSA-N 1 1 469.674 4.508 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCC(CCCO)CC3)n2CC[N@H+]2CCC[C@@H]2C)c1C ZINC001360873751 1066010590 /nfs/dbraw/zinc/01/05/90/1066010590.db2.gz KKEVLCDAHJYRAB-JTHBVZDNSA-N 1 1 469.674 4.508 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H]3C(C)C)n2C[C@@H](C)C[NH+]2CCOCC2)c1C ZINC001360873968 1066011205 /nfs/dbraw/zinc/01/12/05/1066011205.db2.gz IVLRUSBSOJQYNZ-TUACAJSNSA-N 1 1 469.674 4.628 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCCC[C@@H](C)C3)n2CCCC[N@H+]2CCC[C@H]2CO)c1C ZINC001360873973 1066011310 /nfs/dbraw/zinc/01/13/10/1066011310.db2.gz IYLUDAMJTIMILT-SDUSCBPUSA-N 1 1 483.701 4.898 20 0 JJADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ccc(Sc3ccccc3Cl)nn2)CC1 ZINC001441185461 1066013201 /nfs/dbraw/zinc/01/32/01/1066013201.db2.gz ITUUTHNDOXFAHE-UHFFFAOYSA-N 1 1 453.011 4.938 20 0 JJADMO O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001441191084 1066014054 /nfs/dbraw/zinc/01/40/54/1066014054.db2.gz CANCRIHNLBLFCJ-ZRDIBKRKSA-N 1 1 453.558 4.645 20 0 JJADMO Cc1c(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)cnn1C ZINC001360874808 1066015555 /nfs/dbraw/zinc/01/55/55/1066015555.db2.gz UQORUZNAIWTPGJ-HSZRJFAPSA-N 1 1 493.700 4.682 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCC[NH+]2CCOCC2)c1C ZINC001360875029 1066016001 /nfs/dbraw/zinc/01/60/01/1066016001.db2.gz WPJVCJAEEJWOCF-JTHBVZDNSA-N 1 1 469.674 4.630 20 0 JJADMO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001441217131 1066016238 /nfs/dbraw/zinc/01/62/38/1066016238.db2.gz DWRGOZIJEHJSQT-HXUWFJFHSA-N 1 1 455.027 4.707 20 0 JJADMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1Br ZINC001441232323 1066017498 /nfs/dbraw/zinc/01/74/98/1066017498.db2.gz UXTVZMWXOAWETA-HNNXBMFYSA-N 1 1 457.290 4.742 20 0 JJADMO CC[C@H](CNC(=O)c1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC001441241299 1066019110 /nfs/dbraw/zinc/01/91/10/1066019110.db2.gz NTQUVEKZZVJBLE-YADARESESA-N 1 1 451.611 4.839 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCCCCC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1C ZINC001360875782 1066019500 /nfs/dbraw/zinc/01/95/00/1066019500.db2.gz YWOGDSNSHGGAHB-BJKOFHAPSA-N 1 1 469.674 4.772 20 0 JJADMO CC[C@@H](CNC(=O)c1cc(-c2cccc(Br)c2)no1)[N@H+]1CCc2ccccc2C1 ZINC001441247073 1066020161 /nfs/dbraw/zinc/02/01/61/1066020161.db2.gz YOENYGYYNWDQHX-FQEVSTJZSA-N 1 1 454.368 4.671 20 0 JJADMO CCOc1ccccc1-c1cccc(C(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)c1 ZINC001441252556 1066021212 /nfs/dbraw/zinc/02/12/12/1066021212.db2.gz ZUBGBZQTQRLNLM-MHZLTWQESA-N 1 1 457.618 4.861 20 0 JJADMO CCOc1ccccc1-c1cccc(C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC001441252556 1066021216 /nfs/dbraw/zinc/02/12/16/1066021216.db2.gz ZUBGBZQTQRLNLM-MHZLTWQESA-N 1 1 457.618 4.861 20 0 JJADMO CCOc1ccccc1-c1cccc(C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC001441252556 1066021223 /nfs/dbraw/zinc/02/12/23/1066021223.db2.gz ZUBGBZQTQRLNLM-MHZLTWQESA-N 1 1 457.618 4.861 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2CCCC(F)(F)F)c1C ZINC001360876854 1066021618 /nfs/dbraw/zinc/02/16/18/1066021618.db2.gz CBTQLMAGDWORLN-SFTDATJTSA-N 1 1 495.590 4.678 20 0 JJADMO CCCOc1ccc(-c2nc(C(=O)Nc3ccc(C[NH+]4CCN(C)CC4)cc3)cs2)cc1 ZINC001441294848 1066023388 /nfs/dbraw/zinc/02/33/88/1066023388.db2.gz MDSJLDSEMUVZTC-UHFFFAOYSA-N 1 1 450.608 4.599 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](Cc4ccsc4)CC3)n2C[C@@](C)(O)C(C)C)c1C ZINC001360878288 1066025415 /nfs/dbraw/zinc/02/54/15/1066025415.db2.gz TZDMKBOPAYLVPS-WXVAWEFUSA-N 1 1 497.709 4.826 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCSC3(CCCCC3)C2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001545940104 1066025457 /nfs/dbraw/zinc/02/54/57/1066025457.db2.gz RVYOEDSITGEVNS-JOCHJYFZSA-N 1 1 490.762 4.717 20 0 JJADMO CCN1CC[NH+](Cc2ccc(NC(=O)/C(F)=C/c3ccc(F)c(C(F)(F)F)c3)cc2)CC1 ZINC001441314185 1066026013 /nfs/dbraw/zinc/02/60/13/1066026013.db2.gz NVNBGQHXWZPJDP-STZFKDTASA-N 1 1 453.455 4.931 20 0 JJADMO CO[C@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccccc1Br ZINC001441323616 1066028271 /nfs/dbraw/zinc/02/82/71/1066028271.db2.gz DFBAMWFNEFJXBE-UXHICEINSA-N 1 1 451.792 4.743 20 0 JJADMO CO[C@@H](C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccccc1Br ZINC001441323622 1066028514 /nfs/dbraw/zinc/02/85/14/1066028514.db2.gz DFBAMWFNEFJXBE-VQTJNVASSA-N 1 1 451.792 4.743 20 0 JJADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCSCC3)n2CC[N@H+]2CCCC(C)(C)C2)c1C ZINC001360879065 1066028558 /nfs/dbraw/zinc/02/85/58/1066028558.db2.gz FMOOHTKCLJJSGH-NRFANRHFSA-N 1 1 457.688 4.710 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCSCC3)n2CC[N@H+]2CCCC(C)(C)C2)c1C ZINC001360879066 1066028644 /nfs/dbraw/zinc/02/86/44/1066028644.db2.gz FMOOHTKCLJJSGH-OAQYLSRUSA-N 1 1 457.688 4.710 20 0 JJADMO Cc1cccc(O[C@H](C)c2nnc(N3CCOC(C)(C)C3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC001360879497 1066030801 /nfs/dbraw/zinc/03/08/01/1066030801.db2.gz LSGHPGVNLXJXHJ-FUPPJEDESA-N 1 1 499.700 4.538 20 0 JJADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001441353731 1066032667 /nfs/dbraw/zinc/03/26/67/1066032667.db2.gz JEXWMPNTZPWOBC-NZQKXSOJSA-N 1 1 455.643 4.714 20 0 JJADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)C1 ZINC001441358297 1066033546 /nfs/dbraw/zinc/03/35/46/1066033546.db2.gz SSZMRBDVSUPJBH-MRXNPFEDSA-N 1 1 458.484 4.917 20 0 JJADMO Cc1ccc(NC(=O)c2nnc(N3CCC(C)=C(C)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cc1C ZINC001360881072 1066034007 /nfs/dbraw/zinc/03/40/07/1066034007.db2.gz GQAUSHWPBKEFTP-HSZRJFAPSA-N 1 1 464.658 4.814 20 0 JJADMO CCN1CC[NH+](Cc2ccc(CNC(=O)c3cc4ccccc4cc3OC(F)F)cc2)CC1 ZINC001441364374 1066035159 /nfs/dbraw/zinc/03/51/59/1066035159.db2.gz JOYAYLVOFXLDBC-UHFFFAOYSA-N 1 1 453.533 4.509 20 0 JJADMO CC[N@@H+](CC(=O)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1)C1CC1 ZINC001441459590 1066042510 /nfs/dbraw/zinc/04/25/10/1066042510.db2.gz AXDOGKZJDUWWAE-HXUWFJFHSA-N 1 1 452.451 4.755 20 0 JJADMO C[N@@H+](CC(=O)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1)C1CCC1 ZINC001441462996 1066043261 /nfs/dbraw/zinc/04/32/61/1066043261.db2.gz HJTCDGLGUWSJDF-HXUWFJFHSA-N 1 1 452.451 4.755 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)C1 ZINC001441469806 1066044038 /nfs/dbraw/zinc/04/40/38/1066044038.db2.gz XKNGOLGLWZUOBQ-YDLSIGKMSA-N 1 1 457.659 4.720 20 0 JJADMO CC1=C(C)CN(c2nnc(CCOc3ccccc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001360892411 1066044458 /nfs/dbraw/zinc/04/44/58/1066044458.db2.gz WXVNAEGUQZNWGA-SZPZYZBQSA-N 1 1 451.659 4.814 20 0 JJADMO CCc1onc(-c2ccc(Br)cc2)c1C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC001441492768 1066046542 /nfs/dbraw/zinc/04/65/42/1066046542.db2.gz YLMKHMVOKAZCMN-UHFFFAOYSA-N 1 1 452.312 4.808 20 0 JJADMO Cc1nc([C@H]2CCCN(c3nnc(CC(C)(C)C)n3CCCn3cc[nH+]c3C)C2)sc1C ZINC001360895686 1066048484 /nfs/dbraw/zinc/04/84/84/1066048484.db2.gz JJMUALZSPXIUGH-FQEVSTJZSA-N 1 1 455.676 4.919 20 0 JJADMO Cc1nc(CCn2c(CC(C)C)nnc2N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)sc1C ZINC001360898779 1066051842 /nfs/dbraw/zinc/05/18/42/1066051842.db2.gz CPAWYIMWNUQXTB-HSZRJFAPSA-N 1 1 466.699 4.751 20 0 JJADMO Cc1nc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC[N@H+](C(C)C)CC2)sc1C ZINC001360904906 1066058656 /nfs/dbraw/zinc/05/86/56/1066058656.db2.gz HPWUDLIXEZKMAG-UHFFFAOYSA-N 1 1 475.062 4.553 20 0 JJADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1ccccc1NC(=O)OC(C)(C)C ZINC001360909664 1066065867 /nfs/dbraw/zinc/06/58/67/1066065867.db2.gz ZDBSAROXQXNFFP-QFIPXVFZSA-N 1 1 451.611 4.947 20 0 JJADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)[C@H](C)C1 ZINC001360913833 1066070358 /nfs/dbraw/zinc/07/03/58/1066070358.db2.gz KDTVIPOSRKRAKB-IIBYNOLFSA-N 1 1 458.400 4.504 20 0 JJADMO Cc1cc(OC(C)C)ccc1NC(=O)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001441819583 1066073680 /nfs/dbraw/zinc/07/36/80/1066073680.db2.gz QTDGGZRZUHCFFQ-QHCPKHFHSA-N 1 1 455.599 4.746 20 0 JJADMO Cc1occc1CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001360929317 1066084941 /nfs/dbraw/zinc/08/49/41/1066084941.db2.gz BLVBHCLDSJMTFU-PZJWPPBQSA-N 1 1 485.604 4.596 20 0 JJADMO Cc1ncsc1CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCCn1cc[nH+]c1C ZINC001360930009 1066086534 /nfs/dbraw/zinc/08/65/34/1066086534.db2.gz PFERRLAEWXYROU-QGZVFWFLSA-N 1 1 469.590 4.554 20 0 JJADMO Cc1occc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@@H+](C)C1CCCCC1 ZINC001360932092 1066089425 /nfs/dbraw/zinc/08/94/25/1066089425.db2.gz FFRJIMIENWMIHO-UHFFFAOYSA-N 1 1 475.435 4.838 20 0 JJADMO Cc1occc1CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001360932892 1066090601 /nfs/dbraw/zinc/09/06/01/1066090601.db2.gz TZRRJKDJFNUDKW-HXUWFJFHSA-N 1 1 489.462 4.704 20 0 JJADMO Cc1occc1CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001360932891 1066090671 /nfs/dbraw/zinc/09/06/71/1066090671.db2.gz TZRRJKDJFNUDKW-FQEVSTJZSA-N 1 1 489.462 4.704 20 0 JJADMO C[N@@H+](Cc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)C1CCCCC1 ZINC001442078142 1066090877 /nfs/dbraw/zinc/09/08/77/1066090877.db2.gz JBHSEPUFLKONOI-NRFANRHFSA-N 1 1 454.014 4.774 20 0 JJADMO C[C@H]1C[C@H](N(C)C(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)CC[N@H+]1C ZINC001360933775 1066092190 /nfs/dbraw/zinc/09/21/90/1066092190.db2.gz MKZGGXVSWSPWNC-QFBILLFUSA-N 1 1 457.500 4.508 20 0 JJADMO Cc1cc(C(C)(C)C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)ccc1Br ZINC001442114306 1066096154 /nfs/dbraw/zinc/09/61/54/1066096154.db2.gz XZVVECMNSIGYQF-GOSISDBHSA-N 1 1 459.428 4.572 20 0 JJADMO Cc1cc(C(C)(C)C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)ccc1Br ZINC001442114306 1066096159 /nfs/dbraw/zinc/09/61/59/1066096159.db2.gz XZVVECMNSIGYQF-GOSISDBHSA-N 1 1 459.428 4.572 20 0 JJADMO Cc1ncsc1CN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001360944803 1066099819 /nfs/dbraw/zinc/09/98/19/1066099819.db2.gz JSSJZQSQRSBKIE-NRFANRHFSA-N 1 1 474.625 4.669 20 0 JJADMO Cc1occc1CN(C)c1nnc(CCOc2ccccc2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001360947557 1066102406 /nfs/dbraw/zinc/10/24/06/1066102406.db2.gz PWGZENDXAXQHAV-OAQYLSRUSA-N 1 1 465.642 4.948 20 0 JJADMO Cc1cc(C(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)ccc1-n1cccn1 ZINC001360951593 1066108472 /nfs/dbraw/zinc/10/84/72/1066108472.db2.gz CUBAPZZYKNRLOI-OAQYLSRUSA-N 1 1 456.512 4.707 20 0 JJADMO CCOc1ncc(C(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1Cl ZINC001360951906 1066108530 /nfs/dbraw/zinc/10/85/30/1066108530.db2.gz MTYOXGLXNJSHJM-KRWDZBQOSA-N 1 1 455.908 4.660 20 0 JJADMO COc1ccccc1SCC(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001360951706 1066108630 /nfs/dbraw/zinc/10/86/30/1066108630.db2.gz GSKUDZABLZEOAI-LJQANCHMSA-N 1 1 452.542 4.700 20 0 JJADMO COc1ccc(SCC(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1 ZINC001360952246 1066109249 /nfs/dbraw/zinc/10/92/49/1066109249.db2.gz ZYFMHFHHSDQWCN-LJQANCHMSA-N 1 1 452.542 4.700 20 0 JJADMO O=C(c1[nH]c2ccc(Br)cc2c1Cl)N1CC[NH+](CCc2cccs2)CC1 ZINC001442256200 1066109586 /nfs/dbraw/zinc/10/95/86/1066109586.db2.gz DFAZNBFNWVIYFI-UHFFFAOYSA-N 1 1 452.805 4.646 20 0 JJADMO C[C@H](CC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001442330458 1066117045 /nfs/dbraw/zinc/11/70/45/1066117045.db2.gz CXUUSVNTZXKUFM-HXUWFJFHSA-N 1 1 457.659 4.613 20 0 JJADMO C[N@@H+](CCNC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1)C1CCCCC1 ZINC001442333994 1066117599 /nfs/dbraw/zinc/11/75/99/1066117599.db2.gz BAXQILPADCCQSD-UHFFFAOYSA-N 1 1 458.400 4.696 20 0 JJADMO CC(C)(CNC(=O)c1c(F)c(F)c(Br)c(F)c1F)[N@H+]1CCc2ccccc2C1 ZINC001442334828 1066117641 /nfs/dbraw/zinc/11/76/41/1066117641.db2.gz XMIIFAKISDJMDX-UHFFFAOYSA-N 1 1 459.281 4.572 20 0 JJADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1csc(COc2ccc(F)cc2)n1 ZINC001360961491 1066121207 /nfs/dbraw/zinc/12/12/07/1066121207.db2.gz LCVXEDVIPIAXAV-HXUWFJFHSA-N 1 1 453.583 4.845 20 0 JJADMO C[C@@H](NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360964112 1066123298 /nfs/dbraw/zinc/12/32/98/1066123298.db2.gz NBKGZMYUIVAPSH-IQGLISFBSA-N 1 1 452.501 4.776 20 0 JJADMO C[C@@H](NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360964112 1066123305 /nfs/dbraw/zinc/12/33/05/1066123305.db2.gz NBKGZMYUIVAPSH-IQGLISFBSA-N 1 1 452.501 4.776 20 0 JJADMO Cc1nc(-c2ccc(C)cc2F)sc1C(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360967226 1066124475 /nfs/dbraw/zinc/12/44/75/1066124475.db2.gz DQWGNQJEBIUHHQ-VGOFRKELSA-N 1 1 453.583 4.585 20 0 JJADMO Cc1nc(-c2ccc(C)cc2F)sc1C(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360967226 1066124478 /nfs/dbraw/zinc/12/44/78/1066124478.db2.gz DQWGNQJEBIUHHQ-VGOFRKELSA-N 1 1 453.583 4.585 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@H]1CCOC1 ZINC001360986305 1066150827 /nfs/dbraw/zinc/15/08/27/1066150827.db2.gz AHEALPPDTNEWFH-PZJWPPBQSA-N 1 1 487.048 4.756 20 0 JJADMO 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Cc1cccc(N(C)c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC001361099134 1066348884 /nfs/dbraw/zinc/34/88/84/1066348884.db2.gz ASHCNUKFJBKGSJ-LJQANCHMSA-N 1 1 455.006 4.571 20 0 JJADMO CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)Cc1noc2ccc(Br)cc21 ZINC001455073210 1066357744 /nfs/dbraw/zinc/35/77/44/1066357744.db2.gz YIKXUMBERFRLKR-LJQANCHMSA-N 1 1 456.384 4.646 20 0 JJADMO Cc1cccc(O[C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCC[N@H+](C(C)C)CC2)c1 ZINC001361110333 1066359482 /nfs/dbraw/zinc/35/94/82/1066359482.db2.gz MXXCEENSELLMOA-NRFANRHFSA-N 1 1 453.656 4.627 20 0 JJADMO Cn1c(C(=O)N2CC[N@H+](C)Cc3ccccc32)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001443752452 1066361959 /nfs/dbraw/zinc/36/19/59/1066361959.db2.gz AHQVITBCCOAWSW-QFIPXVFZSA-N 1 1 452.599 4.579 20 0 JJADMO Cn1c(C(=O)N2CC[N@@H+](C)Cc3ccccc32)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001443752452 1066361974 /nfs/dbraw/zinc/36/19/74/1066361974.db2.gz AHQVITBCCOAWSW-QFIPXVFZSA-N 1 1 452.599 4.579 20 0 JJADMO Cc1ccccc1[C@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCC[C@H](C)C1 ZINC001443761915 1066363813 /nfs/dbraw/zinc/36/38/13/1066363813.db2.gz REZIVFXKHJBBMZ-UWDQQESISA-N 1 1 457.659 4.921 20 0 JJADMO O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC001443767284 1066364912 /nfs/dbraw/zinc/36/49/12/1066364912.db2.gz KTWRUNCKBVZNAN-HZPDHXFCSA-N 1 1 453.332 4.822 20 0 JJADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@@H](C)CCc1ccc(I)cc1 ZINC001443777548 1066367241 /nfs/dbraw/zinc/36/72/41/1066367241.db2.gz WLXCKVJEFKLSTF-FXAWDEMLSA-N 1 1 456.412 4.631 20 0 JJADMO CC[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1)OC ZINC001545962433 1066369439 /nfs/dbraw/zinc/36/94/39/1066369439.db2.gz CHSWPAYUCIPBRN-AREMUKBSSA-N 1 1 496.744 4.662 20 0 JJADMO CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545962553 1066373210 /nfs/dbraw/zinc/37/32/10/1066373210.db2.gz FQEHKYVUROVUCV-BDTNDASRSA-N 1 1 451.615 4.586 20 0 JJADMO CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545962553 1066373226 /nfs/dbraw/zinc/37/32/26/1066373226.db2.gz FQEHKYVUROVUCV-BDTNDASRSA-N 1 1 451.615 4.586 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N(C)CC(F)(F)F)n2CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC001361124083 1066377025 /nfs/dbraw/zinc/37/70/25/1066377025.db2.gz WJONWCIZWXJBPE-FQEVSTJZSA-N 1 1 497.606 4.788 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N(C)Cc3ccco3)n2CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC001361124208 1066378021 /nfs/dbraw/zinc/37/80/21/1066378021.db2.gz ZVTHCLPXBIKTQX-UHFFFAOYSA-N 1 1 494.684 4.544 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N(C)Cc3ccoc3)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001361124214 1066378272 /nfs/dbraw/zinc/37/82/72/1066378272.db2.gz ZWLRUKQEZHSBPJ-UHFFFAOYSA-N 1 1 481.641 4.629 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N(C)Cc3ccoc3)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001361124214 1066378288 /nfs/dbraw/zinc/37/82/88/1066378288.db2.gz ZWLRUKQEZHSBPJ-UHFFFAOYSA-N 1 1 481.641 4.629 20 0 JJADMO CC[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1)OC ZINC001545962936 1066378670 /nfs/dbraw/zinc/37/86/70/1066378670.db2.gz MUYDPXBSQHBGQM-YKSBVNFPSA-N 1 1 453.675 4.978 20 0 JJADMO Cc1cccc(NC[C@@H]2CCCN2C(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)[nH+]1 ZINC001443876633 1066379883 /nfs/dbraw/zinc/37/98/83/1066379883.db2.gz SEMRTXXZSUVNDO-IBGZPJMESA-N 1 1 455.628 4.619 20 0 JJADMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)C1 ZINC001443897532 1066382532 /nfs/dbraw/zinc/38/25/32/1066382532.db2.gz QDQINUZVWZVUJD-ZJSXRUAMSA-N 1 1 451.611 4.671 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H]3C(C)C)n2CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC001361128530 1066392394 /nfs/dbraw/zinc/39/23/94/1066392394.db2.gz YNSXEDDQONGZOD-VWLOTQADSA-N 1 1 496.744 4.940 20 0 JJADMO CCc1nc(C[NH+]2CCC(CNC(=O)c3ncsc3Nc3ccc(C)cc3)CC2)cs1 ZINC001444027406 1066396045 /nfs/dbraw/zinc/39/60/45/1066396045.db2.gz CJOVZPKOAJWZES-UHFFFAOYSA-N 1 1 455.653 4.856 20 0 JJADMO CCc1nc(C[NH+]2CCC(CNC(=O)/C=C/c3ccccc3OC(F)(F)F)CC2)cs1 ZINC001444042178 1066397456 /nfs/dbraw/zinc/39/74/56/1066397456.db2.gz XNHIJKZBAANHKM-BQYQJAHWSA-N 1 1 453.530 4.646 20 0 JJADMO CC(C)OCc1c2ccccc2oc1C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC001455526464 1066403922 /nfs/dbraw/zinc/40/39/22/1066403922.db2.gz JOLWXNJZLHYFKJ-UHFFFAOYSA-N 1 1 450.579 4.769 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)CC[C@@H](O)c2ccc(C(C)(C)C)cc2)CCOCC1 ZINC001455543103 1066408662 /nfs/dbraw/zinc/40/86/62/1066408662.db2.gz KFZWJKBNQCLZHM-RUZDIDTESA-N 1 1 452.639 4.595 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H](C(=O)OC(C)(C)C)[C@H](C2CC2)C1 ZINC001455559260 1066410425 /nfs/dbraw/zinc/41/04/25/1066410425.db2.gz JUKFNBNLMFFISE-ZFFYZDHPSA-N 1 1 454.655 4.607 20 0 JJADMO CN(Cc1ccc(Cl)cc1Oc1cc(Cl)ccc1Cl)C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001455580686 1066412342 /nfs/dbraw/zinc/41/23/42/1066412342.db2.gz FIJVSKYBHTZUTK-IIBYNOLFSA-N 1 1 457.785 4.853 20 0 JJADMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C2(CNC(=O)OCc3ccccc3)CCCC2)C1 ZINC001444178414 1066426215 /nfs/dbraw/zinc/42/62/15/1066426215.db2.gz VKZIMHRHVMWTRK-LADGPHEKSA-N 1 1 455.643 4.586 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)c3cccs3)n2CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC001361144572 1066426941 /nfs/dbraw/zinc/42/69/41/1066426941.db2.gz JPDLTEHIFJORAL-JOCHJYFZSA-N 1 1 496.725 4.759 20 0 JJADMO CN(C(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001444212502 1066429829 /nfs/dbraw/zinc/42/98/29/1066429829.db2.gz UQBFZBFMHKNGIN-JOCHJYFZSA-N 1 1 450.970 4.754 20 0 JJADMO CC[C@@]1(C)CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC001546075957 1066429850 /nfs/dbraw/zinc/42/98/50/1066429850.db2.gz YYWNZFNUFCNENI-DHLKQENFSA-N 1 1 453.034 4.847 20 0 JJADMO CC[C@@]1(C)CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC001546075959 1066429904 /nfs/dbraw/zinc/42/99/04/1066429904.db2.gz YYWNZFNUFCNENI-RDGATRHJSA-N 1 1 453.034 4.847 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)[C@@H]3CCSC3)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001361145930 1066430904 /nfs/dbraw/zinc/43/09/04/1066430904.db2.gz NAPLEMWAQNAJCK-OAQYLSRUSA-N 1 1 457.688 4.538 20 0 JJADMO C[N@@H+](CCOc1ccccc1)Cc1ccc(NC(=O)[C@]2(C(=O)OC(C)(C)C)CC2(C)C)cc1 ZINC001455811658 1066435943 /nfs/dbraw/zinc/43/59/43/1066435943.db2.gz QCBDJDLDCHCVQF-MHZLTWQESA-N 1 1 452.595 4.894 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361148729 1066436735 /nfs/dbraw/zinc/43/67/35/1066436735.db2.gz UVEUFAYJEWJFRE-NHTMILBNSA-N 1 1 469.674 4.600 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)CCC3CCOCC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC001361149199 1066438636 /nfs/dbraw/zinc/43/86/36/1066438636.db2.gz MDYGNLUZDPWMPE-RUZDIDTESA-N 1 1 483.701 4.847 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CC[N@@H+](C)C2CCCC2)c1 ZINC001361151240 1066441964 /nfs/dbraw/zinc/44/19/64/1066441964.db2.gz FQFQUYCFAGHBGG-UGKGYDQZSA-N 1 1 495.590 4.504 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001361151402 1066442627 /nfs/dbraw/zinc/44/26/27/1066442627.db2.gz ITWRZZNKDZTKJM-QFIPXVFZSA-N 1 1 469.674 4.600 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001361151401 1066442654 /nfs/dbraw/zinc/44/26/54/1066442654.db2.gz ITWRZZNKDZTKJM-JOCHJYFZSA-N 1 1 469.674 4.600 20 0 JJADMO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC23CCCC3)CC[N@H+]1Cc1ccccc1 ZINC001444300357 1066445238 /nfs/dbraw/zinc/44/52/38/1066445238.db2.gz QIASISMJRTXHSX-PUHATCMVSA-N 1 1 455.643 4.678 20 0 JJADMO Cc1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1NC(=O)c1ccncc1 ZINC001444298451 1066445300 /nfs/dbraw/zinc/44/53/00/1066445300.db2.gz NMXPUEHADZBNLV-ZJSXRUAMSA-N 1 1 456.590 4.767 20 0 JJADMO CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001444325388 1066449267 /nfs/dbraw/zinc/44/92/67/1066449267.db2.gz VWZGWVJBLUYAFZ-KMDXXIMOSA-N 1 1 455.643 4.679 20 0 JJADMO CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001444325401 1066449283 /nfs/dbraw/zinc/44/92/83/1066449283.db2.gz VWZGWVJBLUYAFZ-TZRRMPRUSA-N 1 1 455.643 4.679 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@@H]2CCCCO2)c1 ZINC001361154511 1066451103 /nfs/dbraw/zinc/45/11/03/1066451103.db2.gz BCLRQUHIGJPTKK-DEOSSOPVSA-N 1 1 469.674 4.600 20 0 JJADMO CCCCCN(Cc1ccc(Cl)cc1)C(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001444369532 1066456019 /nfs/dbraw/zinc/45/60/19/1066456019.db2.gz ZOHRAQFZACFEDG-UHFFFAOYSA-N 1 1 452.039 4.848 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCCO[C@H](C)C3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361158719 1066462014 /nfs/dbraw/zinc/46/20/14/1066462014.db2.gz FJAKLYROSVTILG-GIFXNVAJSA-N 1 1 483.701 4.847 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1 ZINC001444461691 1066462538 /nfs/dbraw/zinc/46/25/38/1066462538.db2.gz VFUFJFQISYDNNX-RUZDIDTESA-N 1 1 451.998 4.846 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1 ZINC001444461691 1066462549 /nfs/dbraw/zinc/46/25/49/1066462549.db2.gz VFUFJFQISYDNNX-RUZDIDTESA-N 1 1 451.998 4.846 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCCO[C@@H](C)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361158978 1066462573 /nfs/dbraw/zinc/46/25/73/1066462573.db2.gz KUILTYIKZQVUGB-GGAORHGYSA-N 1 1 469.674 4.600 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@](C)(O)CCC(C)C)c1 ZINC001361158929 1066462624 /nfs/dbraw/zinc/46/26/24/1066462624.db2.gz ITCUAYLHLLVKNG-MHZLTWQESA-N 1 1 471.690 4.582 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1)C1CC1 ZINC001444504408 1066468833 /nfs/dbraw/zinc/46/88/33/1066468833.db2.gz PSMAZGMWNVFOJQ-QHCPKHFHSA-N 1 1 455.643 4.727 20 0 JJADMO C[C@H](C(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)sc2c1)c1ccc(Br)cc1 ZINC001455993846 1066469102 /nfs/dbraw/zinc/46/91/02/1066469102.db2.gz VSJDTFYMVAVWRI-AWEZNQCLSA-N 1 1 459.413 4.553 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001361162863 1066470980 /nfs/dbraw/zinc/47/09/80/1066470980.db2.gz SRPDREVDYFXDEP-MHZLTWQESA-N 1 1 471.690 4.846 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2CC[N@@H+](C)C2CCCCC2)c1 ZINC001361163116 1066471869 /nfs/dbraw/zinc/47/18/69/1066471869.db2.gz VEMFMNILWMVDAJ-VWLOTQADSA-N 1 1 469.674 4.600 20 0 JJADMO Cc1cccc(-n2ccnc2SCC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1C ZINC001444562929 1066476371 /nfs/dbraw/zinc/47/63/71/1066476371.db2.gz GELRBNJFUILEIS-AUSIDOKSSA-N 1 1 454.665 4.842 20 0 JJADMO Cc1ccc(C2(C)CCN(c3nnc([C@]4(OC(C)C)CCOC4)n3CCC[N@@H+](C)C(C)C)CC2)cc1 ZINC001361165265 1066476527 /nfs/dbraw/zinc/47/65/27/1066476527.db2.gz FJANTCRBEIWEGY-LJAQVGFWSA-N 1 1 497.728 4.916 20 0 JJADMO CCN1CC[NH+](CCC(=O)Nc2ccc(-c3nc4cc(F)ccc4n3C(C)C)cc2C)CC1 ZINC001444565247 1066477203 /nfs/dbraw/zinc/47/72/03/1066477203.db2.gz QBNBGKLVVVWTTI-UHFFFAOYSA-N 1 1 451.590 4.698 20 0 JJADMO Cc1ccc([C@]2(O)CCN(c3nnc(C(C)C)n3CCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)C2)cc1 ZINC001361166455 1066477700 /nfs/dbraw/zinc/47/77/00/1066477700.db2.gz VCLBVCDSDZKTQH-OBTVHEKISA-N 1 1 453.675 4.566 20 0 JJADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001361166801 1066478433 /nfs/dbraw/zinc/47/84/33/1066478433.db2.gz ZXWCKYQQKOQCPR-SQHAQQRYSA-N 1 1 455.602 4.528 20 0 JJADMO COc1cc(Br)cc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1 ZINC001456026372 1066480662 /nfs/dbraw/zinc/48/06/62/1066480662.db2.gz CCFBXGQXXYPTLU-LJQANCHMSA-N 1 1 451.792 4.896 20 0 JJADMO COc1cc(Br)cc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1 ZINC001456026372 1066480669 /nfs/dbraw/zinc/48/06/69/1066480669.db2.gz CCFBXGQXXYPTLU-LJQANCHMSA-N 1 1 451.792 4.896 20 0 JJADMO O=C(c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC001444613105 1066482764 /nfs/dbraw/zinc/48/27/64/1066482764.db2.gz WMSVDRBZVQTSIU-UHFFFAOYSA-N 1 1 454.924 4.694 20 0 JJADMO CCOc1cc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)ccc1OCCOc1ccccc1 ZINC001444614182 1066483619 /nfs/dbraw/zinc/48/36/19/1066483619.db2.gz ZXEISWUZFZFPON-UHFFFAOYSA-N 1 1 452.595 4.634 20 0 JJADMO Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccccc3C)n2CCC[N@H+]2CCCO[C@H](C)C2)o1 ZINC001361169719 1066484147 /nfs/dbraw/zinc/48/41/47/1066484147.db2.gz JIZAVPSEYRUFOX-YADHBBJMSA-N 1 1 451.615 4.853 20 0 JJADMO O=C(CCCc1nnc(-c2ccccc2)o1)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001456033962 1066484306 /nfs/dbraw/zinc/48/43/06/1066484306.db2.gz WZZGDOXEPVFDNV-JOCHJYFZSA-N 1 1 452.986 4.884 20 0 JJADMO Cc1ccc(-c2nnc(N(C)[C@@H]3CCOC3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1Br ZINC001361174461 1066491345 /nfs/dbraw/zinc/49/13/45/1066491345.db2.gz RRNFLDDTUJKDFI-AZUAARDMSA-N 1 1 476.463 4.506 20 0 JJADMO COC(=O)C[C@H](NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccc(C(C)(C)C)cc1 ZINC001444692826 1066493898 /nfs/dbraw/zinc/49/38/98/1066493898.db2.gz XJOHLXKIRQQWPR-NOZRDPDXSA-N 1 1 450.623 4.659 20 0 JJADMO Cc1ccc(-c2nnc(N(C)C[C@H]3CCCOC3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1Br ZINC001361184285 1066506988 /nfs/dbraw/zinc/50/69/88/1066506988.db2.gz FAGVDRDLOOXYBP-UYAOXDASSA-N 1 1 490.490 4.611 20 0 JJADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CCc1cc(Br)c(Br)s1 ZINC001444841605 1066511411 /nfs/dbraw/zinc/51/14/11/1066511411.db2.gz AQTZWBMGTHYWPS-LBPRGKRZSA-N 1 1 452.256 4.539 20 0 JJADMO CCOC(=O)[C@](C)(CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1)CC(C)C ZINC001456116657 1066512520 /nfs/dbraw/zinc/51/25/20/1066512520.db2.gz WVQGHILYABZPAF-QUFBTCJSSA-N 1 1 464.650 4.808 20 0 JJADMO Nc1c(C(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)cccc1C(F)(F)F ZINC001444871264 1066515277 /nfs/dbraw/zinc/51/52/77/1066515277.db2.gz YFZQQCFRQOCLAF-MRXNPFEDSA-N 1 1 459.434 4.814 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)C1 ZINC001456125731 1066515849 /nfs/dbraw/zinc/51/58/49/1066515849.db2.gz AVQDVBCIQDLYIF-WBADGQHESA-N 1 1 483.678 4.773 20 0 JJADMO C[C@H](c1ccc(NC(=O)[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)cc1)[NH+]1CCOCC1 ZINC001456155802 1066525101 /nfs/dbraw/zinc/52/51/01/1066525101.db2.gz KBRWXZDUOZDISD-XXBNENTESA-N 1 1 459.631 4.882 20 0 JJADMO C[C@H](c1ccc(NC(=O)[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)cc1)[NH+]1CCOCC1 ZINC001456155779 1066525192 /nfs/dbraw/zinc/52/51/92/1066525192.db2.gz KBRWXZDUOZDISD-AUSIDOKSSA-N 1 1 459.631 4.882 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCC[NH+]2CCOCC2)cc1Br ZINC001361199460 1066527967 /nfs/dbraw/zinc/52/79/67/1066527967.db2.gz DYQUZHCWLSSPRM-FQEVSTJZSA-N 1 1 490.490 4.611 20 0 JJADMO C[N@H+]1C[C@H](NC(=O)CCc2c3cc(Br)ccc3[nH]c2-c2ccccc2)C(C)(C)C1 ZINC001456173163 1066528485 /nfs/dbraw/zinc/52/84/85/1066528485.db2.gz GQIXJQCHECTJTE-NRFANRHFSA-N 1 1 454.412 4.986 20 0 JJADMO C[C@H]1C[NH+](Cc2ccc(C(=O)Oc3cccc(CNC(=O)OC(C)(C)C)c3)cc2)C[C@H](C)O1 ZINC001456177879 1066529999 /nfs/dbraw/zinc/52/99/99/1066529999.db2.gz HCZKILUROCXBQL-OALUTQOASA-N 1 1 454.567 4.540 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2Cl)C1 ZINC001445036897 1066531565 /nfs/dbraw/zinc/53/15/65/1066531565.db2.gz VGHUZXHVEOKKRK-FQEVSTJZSA-N 1 1 458.002 4.962 20 0 JJADMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3N(C(=O)OC(C)(C)C)CCCC3(C)C)cc2)C1 ZINC001445040952 1066532000 /nfs/dbraw/zinc/53/20/00/1066532000.db2.gz AOHWQGNMQCTOGD-SIKLNZKXSA-N 1 1 459.631 4.771 20 0 JJADMO CCCOc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCCC ZINC001445043934 1066533031 /nfs/dbraw/zinc/53/30/31/1066533031.db2.gz CTJKXKTXJAKEEO-PZJWPPBQSA-N 1 1 452.595 4.708 20 0 JJADMO CCCOc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCCC ZINC001445043915 1066533146 /nfs/dbraw/zinc/53/31/46/1066533146.db2.gz CTJKXKTXJAKEEO-CTNGQTDRSA-N 1 1 452.595 4.708 20 0 JJADMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cc(Br)cc4cccnc43)cc2)C1 ZINC001445051442 1066534281 /nfs/dbraw/zinc/53/42/81/1066534281.db2.gz UJJQYSGOUQYFSA-INIZCTEOSA-N 1 1 454.368 4.970 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)n2CC[S@](=O)C(C)(C)C)o1 ZINC001361204206 1066534713 /nfs/dbraw/zinc/53/47/13/1066534713.db2.gz POOZUALIGJYSAJ-JJVXONKQSA-N 1 1 489.730 4.875 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CCOCc2ccccc2)o1 ZINC001361205934 1066537854 /nfs/dbraw/zinc/53/78/54/1066537854.db2.gz YETBSHLQKPYGNC-UHFFFAOYSA-N 1 1 451.615 4.620 20 0 JJADMO COc1cc(C)c([C@@H](C)NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1OC ZINC001456267314 1066550046 /nfs/dbraw/zinc/55/00/46/1066550046.db2.gz LOVNAASOWXFEBT-DCEDVJGZSA-N 1 1 459.590 4.500 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC[C@@H]3C(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)cc1Br ZINC001361218302 1066554654 /nfs/dbraw/zinc/55/46/54/1066554654.db2.gz LPRYHORZACIVFQ-OAQYLSRUSA-N 1 1 490.490 4.752 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC[C@@H]3C(C)C)n2CC[N@H+]2CCOC(C)(C)C2)cc1Br ZINC001361218302 1066554662 /nfs/dbraw/zinc/55/46/62/1066554662.db2.gz LPRYHORZACIVFQ-OAQYLSRUSA-N 1 1 490.490 4.752 20 0 JJADMO O=C(COCc1cccc(Cl)c1)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001361220365 1066557227 /nfs/dbraw/zinc/55/72/27/1066557227.db2.gz OBICVKOKUJLKIJ-HXUWFJFHSA-N 1 1 454.920 4.770 20 0 JJADMO CCC(=O)c1cc(C(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)ccc1F ZINC001361220516 1066558098 /nfs/dbraw/zinc/55/80/98/1066558098.db2.gz TYRRBLNJRAWNRC-SFHVURJKSA-N 1 1 450.476 4.945 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[NH+]([C@H](C)c4ccsc4)CC3)n2CCCOCC(C)C)o1 ZINC001361220927 1066559095 /nfs/dbraw/zinc/55/90/95/1066559095.db2.gz IWKRTALIFITNKR-HXUWFJFHSA-N 1 1 457.644 4.854 20 0 JJADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)[C@H](C)C1 ZINC001456304177 1066559616 /nfs/dbraw/zinc/55/96/16/1066559616.db2.gz ROKABWIWYWNWNU-XMSQKQJNSA-N 1 1 455.002 4.546 20 0 JJADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)[C@@H](C)C1 ZINC001456304171 1066559701 /nfs/dbraw/zinc/55/97/01/1066559701.db2.gz ROKABWIWYWNWNU-AVRDEDQJSA-N 1 1 455.002 4.546 20 0 JJADMO C[C@@H]1C[N@H+](CCCCNC(=O)c2ccc(-c3ccc(Br)s3)s2)C[C@H](C)O1 ZINC001445344695 1066560096 /nfs/dbraw/zinc/56/00/96/1066560096.db2.gz FRQHMYHDOZGECD-OKILXGFUSA-N 1 1 457.459 4.858 20 0 JJADMO Cc1ccc(-c2nnc(N3CCN(c4ccccc4Cl)CC3)n2CCC[N@H+](C)C(C)C)o1 ZINC001361222372 1066560938 /nfs/dbraw/zinc/56/09/38/1066560938.db2.gz AOXFVKLYEQRQEX-UHFFFAOYSA-N 1 1 457.022 4.557 20 0 JJADMO Cc1ccc(-c2nnc(N3CCN(c4ncc(Cl)cc4Cl)CC3)n2CCC[N@H+](C)C(C)C)o1 ZINC001361222782 1066561048 /nfs/dbraw/zinc/56/10/48/1066561048.db2.gz QPNYFQZZRADCDN-UHFFFAOYSA-N 1 1 492.455 4.605 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[N@@H+](Cc4ccccc4)C[C@H]3C)n2CCSCC(C)C)o1 ZINC001361223866 1066561550 /nfs/dbraw/zinc/56/15/50/1066561550.db2.gz AJEBPVFFSHEGDZ-HXUWFJFHSA-N 1 1 453.656 4.946 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC001456342535 1066565850 /nfs/dbraw/zinc/56/58/50/1066565850.db2.gz OCDORLLHOFGYEK-JCTONOIOSA-N 1 1 459.556 4.949 20 0 JJADMO Cc1ccc(-c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc1Br ZINC001361232755 1066573331 /nfs/dbraw/zinc/57/33/31/1066573331.db2.gz WSHWVJGRBILZEL-LQWHRVPQSA-N 1 1 478.454 4.931 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC001445524444 1066581446 /nfs/dbraw/zinc/58/14/46/1066581446.db2.gz OKBXGSREBVHVJN-WCYRKSIYSA-N 1 1 455.643 4.537 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC001445525124 1066582178 /nfs/dbraw/zinc/58/21/78/1066582178.db2.gz OYHGPWDFBYOVBC-HJOGWXRNSA-N 1 1 455.643 4.537 20 0 JJADMO O=C(CSCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001445527627 1066582490 /nfs/dbraw/zinc/58/24/90/1066582490.db2.gz URMNZMUBNQLDQX-FYYLOGMGSA-N 1 1 457.039 4.769 20 0 JJADMO Cc1ccc([C@@H]2OCCC[C@@H]2Cn2c(CC(C)(C)C)nnc2N2CC[NH+](CCOC(C)C)CC2)cc1 ZINC001361240939 1066582664 /nfs/dbraw/zinc/58/26/64/1066582664.db2.gz ZCSJWZZWWCPNKW-VPUSJEBWSA-N 1 1 497.728 4.890 20 0 JJADMO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC001445529644 1066582994 /nfs/dbraw/zinc/58/29/94/1066582994.db2.gz WNOOCEWUHVALCQ-AZOUXBGGSA-N 1 1 455.643 4.535 20 0 JJADMO O=C(CCOc1cccc(Br)c1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001445529637 1066583087 /nfs/dbraw/zinc/58/30/87/1066583087.db2.gz WMHQNSIBHOIEDQ-REWPJTCUSA-N 1 1 457.412 4.731 20 0 JJADMO O=C(/C(F)=C\c1ccc(C(F)(F)F)cc1)N1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001456435882 1066585385 /nfs/dbraw/zinc/58/53/85/1066585385.db2.gz GLHUIHSBJHAFGM-OQKWZONESA-N 1 1 450.476 4.767 20 0 JJADMO Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)C2)c1 ZINC001445567014 1066588328 /nfs/dbraw/zinc/58/83/28/1066588328.db2.gz KXYPDCRJCCXPHN-ZCYQVOJMSA-N 1 1 453.671 4.659 20 0 JJADMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC001445564891 1066588354 /nfs/dbraw/zinc/58/83/54/1066588354.db2.gz GICYFRRPFGKTRR-SFHVURJKSA-N 1 1 459.432 4.752 20 0 JJADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC001445564868 1066588566 /nfs/dbraw/zinc/58/85/66/1066588566.db2.gz GICYFRRPFGKTRR-GOSISDBHSA-N 1 1 459.432 4.752 20 0 JJADMO Cc1ccc(CN(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[N@@H+](C)C2CCCC2)o1 ZINC001361248802 1066592149 /nfs/dbraw/zinc/59/21/49/1066592149.db2.gz RNTFFGNGLSTPDJ-IBGZPJMESA-N 1 1 455.578 4.969 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1[C@@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C ZINC001456491146 1066597838 /nfs/dbraw/zinc/59/78/38/1066597838.db2.gz TVJTZWPOXNAMQA-ONTLXTELSA-N 1 1 455.643 4.535 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1[C@@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C ZINC001456491146 1066597852 /nfs/dbraw/zinc/59/78/52/1066597852.db2.gz TVJTZWPOXNAMQA-ONTLXTELSA-N 1 1 455.643 4.535 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(OC(F)(F)F)cc1Br ZINC001456493583 1066599052 /nfs/dbraw/zinc/59/90/52/1066599052.db2.gz XWJNBFZZBXEQSP-CQSZACIVSA-N 1 1 457.290 4.694 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(OC(F)(F)F)cc1Br ZINC001456493583 1066599053 /nfs/dbraw/zinc/59/90/53/1066599053.db2.gz XWJNBFZZBXEQSP-CQSZACIVSA-N 1 1 457.290 4.694 20 0 JJADMO Cc1cccc(Oc2ccc(C(=O)Nc3ccc(C(=O)N(C)[C@@H]4CCC[N@@H+](C)C4)cc3)nc2)c1 ZINC001456499297 1066601757 /nfs/dbraw/zinc/60/17/57/1066601757.db2.gz JGQBPGCDQOZPIB-JOCHJYFZSA-N 1 1 458.562 4.601 20 0 JJADMO Cc1ccc(C(C)C)c(OCCC(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@@H+](C)C3)cc2)c1 ZINC001456501079 1066602410 /nfs/dbraw/zinc/60/24/10/1066602410.db2.gz RGKJIAXZPIEIQQ-HSZRJFAPSA-N 1 1 451.611 4.692 20 0 JJADMO Cc1ccc(CN(C)c2nnc(Cc3ccncc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC001361258866 1066609063 /nfs/dbraw/zinc/60/90/63/1066609063.db2.gz HQFVFUNZXYKJRO-BGYRXZFFSA-N 1 1 452.672 4.638 20 0 JJADMO CC[C@]1(C)CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CCO1 ZINC001546082975 1066609157 /nfs/dbraw/zinc/60/91/57/1066609157.db2.gz HBSZMHBSJYZBIB-UMTXDNHDSA-N 1 1 487.664 4.931 20 0 JJADMO Cc1ccc(CN(C)c2nnc(COc3ccc(F)cc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)o1 ZINC001361260957 1066610353 /nfs/dbraw/zinc/61/03/53/1066610353.db2.gz BWSZVOAUXXQDOU-MOPGFXCFSA-N 1 1 455.578 4.654 20 0 JJADMO Cc1ccc(CN(C)c2nnc(COc3ccccc3F)n2C[C@H]2CCC[N@H+](C(C)C)C2)o1 ZINC001361260985 1066610954 /nfs/dbraw/zinc/61/09/54/1066610954.db2.gz CPYBNAHENJUGRI-FQEVSTJZSA-N 1 1 455.578 4.654 20 0 JJADMO O=C(N[C@H](c1cccc(F)c1)c1cccc(Br)c1)c1cc(C[NH+]2CCCC2)on1 ZINC001445726896 1066611596 /nfs/dbraw/zinc/61/15/96/1066611596.db2.gz BGFQGIDCFBYBEP-NRFANRHFSA-N 1 1 458.331 4.691 20 0 JJADMO Cc1ccc(CN(Cc2ccco2)c2nnc(C(C)C)n2CC[N@@H+]2CCOCC2(C)C)s1 ZINC001361262097 1066615364 /nfs/dbraw/zinc/61/53/64/1066615364.db2.gz RCRQPSAVBDSKCU-UHFFFAOYSA-N 1 1 457.644 4.682 20 0 JJADMO Cc1ccc(CN(Cc2ccco2)c2nnc(C(C)C)n2CC[N@H+]2CCOCC2(C)C)s1 ZINC001361262097 1066615367 /nfs/dbraw/zinc/61/53/67/1066615367.db2.gz RCRQPSAVBDSKCU-UHFFFAOYSA-N 1 1 457.644 4.682 20 0 JJADMO C[C@@H]1C[C@@H](NC(=O)CCc2nc3cc(Br)ccc3s2)C[N@H+]1Cc1ccccc1 ZINC001445789395 1066617442 /nfs/dbraw/zinc/61/74/42/1066617442.db2.gz JSADIXUMCZJYIN-CRAIPNDOSA-N 1 1 458.425 4.771 20 0 JJADMO C[C@H]1C[C@@H](NC(=O)CCc2nc3cc(Br)ccc3s2)C[N@H+]1Cc1ccccc1 ZINC001445789398 1066617581 /nfs/dbraw/zinc/61/75/81/1066617581.db2.gz JSADIXUMCZJYIN-MAUKXSAKSA-N 1 1 458.425 4.771 20 0 JJADMO C[C@@]1(NC(=O)[C@H](O)c2ccc(C(F)(F)F)cc2)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001456543570 1066620803 /nfs/dbraw/zinc/62/08/03/1066620803.db2.gz YSBMRBNTWBURFB-BFLUCZKCSA-N 1 1 468.519 4.913 20 0 JJADMO C[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)[C@@H](O)c1cccc(F)c1 ZINC001445827499 1066623813 /nfs/dbraw/zinc/62/38/13/1066623813.db2.gz VQQXGKQMIRVXNO-SXEIHZRZSA-N 1 1 466.984 4.933 20 0 JJADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3ccc(-c4cccc(F)c4)s3)cc2)CC1 ZINC001361276922 1066634191 /nfs/dbraw/zinc/63/41/91/1066634191.db2.gz LUOIHQSDKZDMHQ-UHFFFAOYSA-N 1 1 451.567 4.513 20 0 JJADMO COc1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)ccc1NC(N)=O ZINC001445943918 1066639015 /nfs/dbraw/zinc/63/90/15/1066639015.db2.gz BNYNUYAKEPVHKV-FCHUYYIVSA-N 1 1 478.980 4.694 20 0 JJADMO C[C@H](Oc1ccccc1Cl)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001446006016 1066644892 /nfs/dbraw/zinc/64/48/92/1066644892.db2.gz VBHUVSAJDBYLFP-HNNXBMFYSA-N 1 1 451.792 4.651 20 0 JJADMO CC(C)[N@H+]1CC[C@H](C(=O)O[C@H]2CCOc3cc(Cl)cc(Cl)c32)[C@H](c2cnn(C)c2)C1 ZINC001361288025 1066646239 /nfs/dbraw/zinc/64/62/39/1066646239.db2.gz GFBGXGGEVNALJX-LNLFQRSKSA-N 1 1 452.382 4.608 20 0 JJADMO O=C(Nc1ccc(I)c(Cl)c1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001456619888 1066647084 /nfs/dbraw/zinc/64/70/84/1066647084.db2.gz VFAXMKHZUTTWPO-GOSISDBHSA-N 1 1 454.739 4.938 20 0 JJADMO O=C(Nc1ccc(I)c(Cl)c1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001456619888 1066647088 /nfs/dbraw/zinc/64/70/88/1066647088.db2.gz VFAXMKHZUTTWPO-GOSISDBHSA-N 1 1 454.739 4.938 20 0 JJADMO Cc1ccccc1OCCCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001492598636 1066647724 /nfs/dbraw/zinc/64/77/24/1066647724.db2.gz NJBAKDDKTKEBIP-YFNKSVMNSA-N 1 1 469.674 4.506 20 0 JJADMO Cc1ccccc1OCCCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001492598634 1066647886 /nfs/dbraw/zinc/64/78/86/1066647886.db2.gz NJBAKDDKTKEBIP-OEMFJLHTSA-N 1 1 469.674 4.506 20 0 JJADMO C[N@@H+]1CC[C@@H](NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)[C@@H]1c1ccc(F)cc1 ZINC001446186421 1066670383 /nfs/dbraw/zinc/67/03/83/1066670383.db2.gz DZPOXOSIHUMSNS-OFNKIYASSA-N 1 1 459.974 4.619 20 0 JJADMO C[N@H+]1CC[C@@H](NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)[C@@H]1c1ccc(F)cc1 ZINC001446186421 1066670392 /nfs/dbraw/zinc/67/03/92/1066670392.db2.gz DZPOXOSIHUMSNS-OFNKIYASSA-N 1 1 459.974 4.619 20 0 JJADMO CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001456708651 1066671374 /nfs/dbraw/zinc/67/13/74/1066671374.db2.gz CMMJDBABNMDPKG-WBVHZDCISA-N 1 1 456.578 4.888 20 0 JJADMO CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001456708648 1066671387 /nfs/dbraw/zinc/67/13/87/1066671387.db2.gz CMMJDBABNMDPKG-DOTOQJQBSA-N 1 1 456.578 4.888 20 0 JJADMO C[N@H+]1CC[C@H](NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)[C@@H]1c1ccc(F)cc1 ZINC001446196447 1066674359 /nfs/dbraw/zinc/67/43/59/1066674359.db2.gz SLWNANPPOMGTCV-UGKGYDQZSA-N 1 1 458.603 4.513 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC=C(C)C3)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001492613185 1066675558 /nfs/dbraw/zinc/67/55/58/1066675558.db2.gz KJWJDUHARCQAJZ-UHFFFAOYSA-N 1 1 467.658 4.556 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC=C(C)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001492613549 1066676097 /nfs/dbraw/zinc/67/60/97/1066676097.db2.gz YVCIRZVBTAGXGU-DEOSSOPVSA-N 1 1 481.685 4.802 20 0 JJADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC001456733414 1066676833 /nfs/dbraw/zinc/67/68/33/1066676833.db2.gz IAEXQMUWVWXHKD-FQEVSTJZSA-N 1 1 453.533 4.923 20 0 JJADMO CCCOc1ccc(C(=O)CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)cc1 ZINC001446240562 1066678167 /nfs/dbraw/zinc/67/81/67/1066678167.db2.gz MGVKPOKLSNPVJB-DNQXCXABSA-N 1 1 462.615 4.752 20 0 JJADMO C[C@@H]1C[C@@H](CCNC(=O)Cc2c[nH]c3ccc(Br)cc23)C[N@H+]1Cc1ccccc1 ZINC001446263616 1066681272 /nfs/dbraw/zinc/68/12/72/1066681272.db2.gz UVBHLQBEJSZHSR-IEBWSBKVSA-N 1 1 454.412 4.890 20 0 JJADMO Cc1cc(F)ccc1-c1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1F ZINC001446277990 1066683840 /nfs/dbraw/zinc/68/38/40/1066683840.db2.gz AZNKPXLOPGUWSC-RLWLMLJZSA-N 1 1 450.529 4.553 20 0 JJADMO Cc1cc(F)ccc1-c1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1F ZINC001446277982 1066683896 /nfs/dbraw/zinc/68/38/96/1066683896.db2.gz AZNKPXLOPGUWSC-QFQXNSOFSA-N 1 1 450.529 4.553 20 0 JJADMO CC1=CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001492619714 1066688141 /nfs/dbraw/zinc/68/81/41/1066688141.db2.gz HCRPOZXKHOJLHD-OYRHEFFESA-N 1 1 455.622 4.909 20 0 JJADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(Br)c(F)cc1F ZINC001446324328 1066690411 /nfs/dbraw/zinc/69/04/11/1066690411.db2.gz PUKSHVFBKSYALK-OAHLLOKOSA-N 1 1 453.327 4.560 20 0 JJADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC001446323125 1066690505 /nfs/dbraw/zinc/69/05/05/1066690505.db2.gz MRVGIZWDJNIIOA-RUZDIDTESA-N 1 1 457.574 4.771 20 0 JJADMO Cc1cnn([C@H]2CCCN(c3nnc(CC(C)(C)C)n3CCCC[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC001492620679 1066690855 /nfs/dbraw/zinc/69/08/55/1066690855.db2.gz JQIVXMGXUSKHBA-GOTSBHOMSA-N 1 1 455.695 4.868 20 0 JJADMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2cc3cc(C)cc(Br)c3o2)CC1 ZINC001446354601 1066695645 /nfs/dbraw/zinc/69/56/45/1066695645.db2.gz JUVBQEBBATWWIO-UHFFFAOYSA-N 1 1 451.405 4.714 20 0 JJADMO O=C([C@H]1CCC[N@@H+](CCc2ccccc2)C1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001446390190 1066701042 /nfs/dbraw/zinc/70/10/42/1066701042.db2.gz HCSJWMHWKNFKNN-MOPGFXCFSA-N 1 1 451.558 4.823 20 0 JJADMO Cc1cnc([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)s1 ZINC001492630162 1066705116 /nfs/dbraw/zinc/70/51/16/1066705116.db2.gz OWHBCCPFKCPRHP-MRXNPFEDSA-N 1 1 474.078 4.873 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)C1 ZINC001446511942 1066713010 /nfs/dbraw/zinc/71/30/10/1066713010.db2.gz VTLUBZFGLFUZLC-JOCHJYFZSA-N 1 1 459.700 4.573 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1csc(NC(=O)OC(C)(C)C)n1 ZINC001456909298 1066718377 /nfs/dbraw/zinc/71/83/77/1066718377.db2.gz ZBAMGKZSCNWFEQ-UYAOXDASSA-N 1 1 458.628 4.655 20 0 JJADMO Cc1csc([C@H](C)Cn2c(N3CC[N@@H+](Cc4ccccc4)C[C@H]3C)nnc2C(C)(C)C)n1 ZINC001492638440 1066726585 /nfs/dbraw/zinc/72/65/85/1066726585.db2.gz HMJUBBUWJCFXGJ-UYAOXDASSA-N 1 1 452.672 4.855 20 0 JJADMO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2cccnc2SCc2c(C)noc2C)CC1 ZINC001456963325 1066730834 /nfs/dbraw/zinc/73/08/34/1066730834.db2.gz GCGYOBMJLIGFDP-HSZRJFAPSA-N 1 1 450.608 4.888 20 0 JJADMO CC[N@@H+](CCC1CCN(C(=O)CCc2c(C)c3ccc(OC)cc3oc2=O)CC1)CC(C)C ZINC001446772366 1066737656 /nfs/dbraw/zinc/73/76/56/1066737656.db2.gz WQRGQMCDVFXYHJ-UHFFFAOYSA-N 1 1 456.627 4.649 20 0 JJADMO CC[N@@H+](CCC1CCN(C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1)CC1CC1 ZINC001446781691 1066737993 /nfs/dbraw/zinc/73/79/93/1066737993.db2.gz LQBZSMLPOYZSSB-UHFFFAOYSA-N 1 1 450.505 4.730 20 0 JJADMO CC[N@@H+](CCC1CCN(C(=O)c2cc(NC(=O)OC)cc(C(F)(F)F)c2)CC1)CC1CC1 ZINC001446780826 1066738035 /nfs/dbraw/zinc/73/80/35/1066738035.db2.gz IRTRWKAAQKZYGX-UHFFFAOYSA-N 1 1 455.521 4.858 20 0 JJADMO CC(C)N(CC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)C(=O)OC(C)(C)C ZINC001446802575 1066741869 /nfs/dbraw/zinc/74/18/69/1066741869.db2.gz VESNFYVMNUBIPJ-UHFFFAOYSA-N 1 1 458.430 4.720 20 0 JJADMO Cc1csc(CN(C)c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC001492645826 1066747644 /nfs/dbraw/zinc/74/76/44/1066747644.db2.gz KJJHVMHPHBBDMA-IBGZPJMESA-N 1 1 492.064 4.981 20 0 JJADMO C[N@@H+](CCN(Cc1ccccc1)C(=O)c1ccc(OCC(F)(F)F)cn1)Cc1ccccc1 ZINC001457041768 1066750545 /nfs/dbraw/zinc/75/05/45/1066750545.db2.gz WIFNTDSICRDFRV-UHFFFAOYSA-N 1 1 457.496 4.797 20 0 JJADMO CCCc1c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nnn1-c1cccc(C(C)C)c1 ZINC001457095142 1066760341 /nfs/dbraw/zinc/76/03/41/1066760341.db2.gz LJZYMVINWCKXGW-BWKNWUBXSA-N 1 1 459.638 4.984 20 0 JJADMO CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1 ZINC001446979535 1066760729 /nfs/dbraw/zinc/76/07/29/1066760729.db2.gz GTZQSWFBKYRZBM-QFIPXVFZSA-N 1 1 453.631 4.593 20 0 JJADMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)n(-c2nccs2)c1C ZINC001545991463 1066763970 /nfs/dbraw/zinc/76/39/70/1066763970.db2.gz OWMCAXSYZMIYBF-GAJHUEQPSA-N 1 1 451.640 4.627 20 0 JJADMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)n(-c2nccs2)c1C ZINC001545991463 1066763979 /nfs/dbraw/zinc/76/39/79/1066763979.db2.gz OWMCAXSYZMIYBF-GAJHUEQPSA-N 1 1 451.640 4.627 20 0 JJADMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)n(-c2nccs2)c1C ZINC001545991464 1066764126 /nfs/dbraw/zinc/76/41/26/1066764126.db2.gz OWMCAXSYZMIYBF-HXOBKFHXSA-N 1 1 451.640 4.627 20 0 JJADMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)n(-c2nccs2)c1C ZINC001545991464 1066764131 /nfs/dbraw/zinc/76/41/31/1066764131.db2.gz OWMCAXSYZMIYBF-HXOBKFHXSA-N 1 1 451.640 4.627 20 0 JJADMO O=C(CSc1ccccc1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)Nc1ccc(F)cc1 ZINC001457123237 1066767072 /nfs/dbraw/zinc/76/70/72/1066767072.db2.gz MEYSVJIBJVRDGU-OAQYLSRUSA-N 1 1 455.599 4.551 20 0 JJADMO CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@@H+](C)C2CCCCC2)CCO1 ZINC001546087990 1066778673 /nfs/dbraw/zinc/77/86/73/1066778673.db2.gz XWWWORONTOEXQD-DEOSSOPVSA-N 1 1 461.054 4.653 20 0 JJADMO C[C@](O)(CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC001447195011 1066781953 /nfs/dbraw/zinc/78/19/53/1066781953.db2.gz MNRORWPZJKQKFB-WEWMWRJBSA-N 1 1 466.984 4.719 20 0 JJADMO CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cccc3c2C[N@H+](C2CC2)C3)(C(F)(F)F)CC1 ZINC001447233536 1066784554 /nfs/dbraw/zinc/78/45/54/1066784554.db2.gz UDLPMQXTTYTVLU-UHFFFAOYSA-N 1 1 453.505 4.683 20 0 JJADMO CC(C)C[C@@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)N(C)C(=O)OC(C)(C)C ZINC001447257619 1066785488 /nfs/dbraw/zinc/78/54/88/1066785488.db2.gz FYXQZSFCALTHGT-QHCPKHFHSA-N 1 1 457.659 4.783 20 0 JJADMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1nc(-c2ccco2)c(C)s1 ZINC001545993983 1066786305 /nfs/dbraw/zinc/78/63/05/1066786305.db2.gz KCRPPQQSIRVIPU-UTKZUKDTSA-N 1 1 452.624 4.717 20 0 JJADMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1nc(-c2ccco2)c(C)s1 ZINC001545993983 1066786328 /nfs/dbraw/zinc/78/63/28/1066786328.db2.gz KCRPPQQSIRVIPU-UTKZUKDTSA-N 1 1 452.624 4.717 20 0 JJADMO Cc1ncc(CN(C)c2nnc(Cc3csc(C)n3)n2CCCC[N@@H+]2CCCC[C@H]2C)s1 ZINC001492666732 1066794018 /nfs/dbraw/zinc/79/40/18/1066794018.db2.gz GDOGFUMCIMUCOS-QGZVFWFLSA-N 1 1 473.716 4.690 20 0 JJADMO C[C@H]1C[C@@H](NC(=O)c2ccc(OC(F)F)c(Br)c2)CC[N@H+]1Cc1ccccc1 ZINC001457227673 1066794432 /nfs/dbraw/zinc/79/44/32/1066794432.db2.gz KJDYXRNGLIDKAY-YOEHRIQHSA-N 1 1 453.327 4.833 20 0 JJADMO CC(C)c1ncc(OCc2ccccc2)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC001457231300 1066795395 /nfs/dbraw/zinc/79/53/95/1066795395.db2.gz STFCERQGXVIEQJ-ZJSXRUAMSA-N 1 1 458.606 4.962 20 0 JJADMO C[C@@H]1C[C@@H](NC(=O)COc2ccc(Br)cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC001457237233 1066796517 /nfs/dbraw/zinc/79/65/17/1066796517.db2.gz HLPNYDDOIIHUBF-QAPCUYQASA-N 1 1 451.792 4.651 20 0 JJADMO Cc1nc(Cc2nnc(N3CC[C@@H]([N@@H+](C)Cc4ccccc4)C3)n2CCSC(F)(F)F)cs1 ZINC001492674639 1066809588 /nfs/dbraw/zinc/80/95/88/1066809588.db2.gz FCRGEDPUEYBUEX-LJQANCHMSA-N 1 1 496.628 4.598 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC(Nc4ccccc4Cl)CC3)n2CC[N@H+](C)C(C)C)cs1 ZINC001492676116 1066812045 /nfs/dbraw/zinc/81/20/45/1066812045.db2.gz VBPVABIUCOUJKY-UHFFFAOYSA-N 1 1 488.105 4.708 20 0 JJADMO CC[C@@H]1CN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC001447515203 1066817282 /nfs/dbraw/zinc/81/72/82/1066817282.db2.gz XNAQAZOTAUQQGZ-HXUWFJFHSA-N 1 1 456.999 4.605 20 0 JJADMO CC[C@@H]1CN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)CC[N@H+]1Cc1ccccc1 ZINC001447515203 1066817293 /nfs/dbraw/zinc/81/72/93/1066817293.db2.gz XNAQAZOTAUQQGZ-HXUWFJFHSA-N 1 1 456.999 4.605 20 0 JJADMO O=C(OCc1cc(F)cc(Br)c1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001457382814 1066819421 /nfs/dbraw/zinc/81/94/21/1066819421.db2.gz GMEKOVGYLQBSHO-XZOQPEGZSA-N 1 1 469.354 4.942 20 0 JJADMO CC[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)OC ZINC001545997240 1066821409 /nfs/dbraw/zinc/82/14/09/1066821409.db2.gz LSDZOZBUMBVXBV-OFVILXPXSA-N 1 1 471.665 4.914 20 0 JJADMO CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC001447566286 1066822658 /nfs/dbraw/zinc/82/26/58/1066822658.db2.gz YRONBSQSRGNNHV-HNNXBMFYSA-N 1 1 454.562 4.714 20 0 JJADMO CC[C@@H](Cn1c(CC(C)C)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)[N@H+]1CCc2ccccc2C1 ZINC001545997991 1066826137 /nfs/dbraw/zinc/82/61/37/1066826137.db2.gz ZSZHPGRAAGOQQW-BVYCBKJFSA-N 1 1 463.592 4.948 20 0 JJADMO CC[C@H](Cn1c(CC(C)C)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)[N@H+]1CCc2ccccc2C1 ZINC001545997992 1066826165 /nfs/dbraw/zinc/82/61/65/1066826165.db2.gz ZSZHPGRAAGOQQW-STZQEDGTSA-N 1 1 463.592 4.948 20 0 JJADMO Cc1nc(Cc2nnc(N3CCSC(C)(C)C3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)cs1 ZINC001492683790 1066827393 /nfs/dbraw/zinc/82/73/93/1066827393.db2.gz IOAQTHCXYANIJZ-FQEVSTJZSA-N 1 1 491.130 4.922 20 0 JJADMO C[C@H](CCNC(=O)c1ccc(I)cc1Cl)[N@@H+](C)Cc1ccccc1 ZINC001457420091 1066827407 /nfs/dbraw/zinc/82/74/07/1066827407.db2.gz AFWHXTIZFJYZIA-CQSZACIVSA-N 1 1 456.755 4.585 20 0 JJADMO C[C@H](CCNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001457421993 1066827942 /nfs/dbraw/zinc/82/79/42/1066827942.db2.gz MKGKLPBJDDJLGW-AZOUXBGGSA-N 1 1 457.659 4.972 20 0 JJADMO COc1ccc(-c2csc(CNC(=O)c3ccc(C[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)c2)cc1 ZINC001457426462 1066829814 /nfs/dbraw/zinc/82/98/14/1066829814.db2.gz PCNDWCZREGLALJ-OALUTQOASA-N 1 1 450.604 4.963 20 0 JJADMO Cc1nc(C[C@H]2CCCN(c3nnc([C@@H](C)Oc4cccc(C)c4C)n3CC[N@H+](C)C(C)C)C2)no1 ZINC001492686253 1066830876 /nfs/dbraw/zinc/83/08/76/1066830876.db2.gz XDYCSBCUCYNPMY-FYYLOGMGSA-N 1 1 495.672 4.526 20 0 JJADMO Cc1ncc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@@H+]2CCCC[C@H]2C)s1 ZINC001492695891 1066843963 /nfs/dbraw/zinc/84/39/63/1066843963.db2.gz CNEYKGSFAASITO-OAHLLOKOSA-N 1 1 492.491 4.702 20 0 JJADMO Cc1ncc(CN(C)c2nnc(-c3ccc(F)cc3Br)n2C[C@H](C)[N@@H+](C)C2CC2)s1 ZINC001492696227 1066845872 /nfs/dbraw/zinc/84/58/72/1066845872.db2.gz YMLOFDJAGXFZRN-ZDUSSCGKSA-N 1 1 493.450 4.731 20 0 JJADMO Cc1ncc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CC[N@@H+]2CCC[C@H](C)C2)s1 ZINC001492698533 1066851489 /nfs/dbraw/zinc/85/14/89/1066851489.db2.gz AOYOHJGXTFOHPO-SFHVURJKSA-N 1 1 468.671 4.607 20 0 JJADMO Cc1ncc(CN(C)c2nnc(Cc3ccsc3)n2CCCC[N@@H+]2CCC[C@H](C)C2)s1 ZINC001492698586 1066852446 /nfs/dbraw/zinc/85/24/46/1066852446.db2.gz CLNYKKJKAROVOT-SFHVURJKSA-N 1 1 458.701 4.844 20 0 JJADMO CC[C@H](NC(=O)c1ccccc1COCc1ccccc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001457540816 1066855737 /nfs/dbraw/zinc/85/57/37/1066855737.db2.gz LKJWSJQZXLFFIX-NSOVKSMOSA-N 1 1 458.602 4.813 20 0 JJADMO CC[C@H](NC(=O)c1ccccc1COCc1ccccc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001457540816 1066855746 /nfs/dbraw/zinc/85/57/46/1066855746.db2.gz LKJWSJQZXLFFIX-NSOVKSMOSA-N 1 1 458.602 4.813 20 0 JJADMO CN(C(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001457549547 1066858513 /nfs/dbraw/zinc/85/85/13/1066858513.db2.gz TVJIJYGGJWNCSO-JOCHJYFZSA-N 1 1 456.512 4.687 20 0 JJADMO CC[C@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001457552417 1066859157 /nfs/dbraw/zinc/85/91/57/1066859157.db2.gz YFVNIKALWPUWNF-PZJWPPBQSA-N 1 1 458.027 4.678 20 0 JJADMO CC[C@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001457552417 1066859167 /nfs/dbraw/zinc/85/91/67/1066859167.db2.gz YFVNIKALWPUWNF-PZJWPPBQSA-N 1 1 458.027 4.678 20 0 JJADMO CCC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)N3CC[N@@H+](CC(C)(C)O)[C@H](C)C3)c2C1 ZINC001447794973 1066859768 /nfs/dbraw/zinc/85/97/68/1066859768.db2.gz FYHVLAHUYFVQAR-UXHICEINSA-N 1 1 451.655 4.693 20 0 JJADMO Cc1[nH+]ccn1-c1ccc(Cn2c(-c3cccc(Cl)c3)nnc2N(C)CCOC(C)(C)C)cn1 ZINC001492704118 1066862509 /nfs/dbraw/zinc/86/25/09/1066862509.db2.gz QKUIWPQZRSSGOT-UHFFFAOYSA-N 1 1 480.016 4.787 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(CC(C)(C)C)nnc1N1CCC(CO)(Cc2ccccc2)CC1 ZINC001492704517 1066863441 /nfs/dbraw/zinc/86/34/41/1066863441.db2.gz GBSWDMXJOACGEQ-UHFFFAOYSA-N 1 1 478.685 4.674 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2ccccc2Br)nnc1N1CCOC(C)(C)[C@H]1C ZINC001492705179 1066864113 /nfs/dbraw/zinc/86/41/13/1066864113.db2.gz XYTSIZCCGKKEAL-QGZVFWFLSA-N 1 1 487.446 4.697 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2cccn2C)nnc1N(C)Cc1ccc(Br)s1 ZINC001492705094 1066864122 /nfs/dbraw/zinc/86/41/22/1066864122.db2.gz VXJPAPJVPOUBQO-UHFFFAOYSA-N 1 1 488.459 4.729 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@H]1CCCCO1 ZINC001492705321 1066865029 /nfs/dbraw/zinc/86/50/29/1066865029.db2.gz BVGLMDGAPYXTNC-LJQANCHMSA-N 1 1 460.985 4.728 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCOC(C)(C)C ZINC001492705971 1066866802 /nfs/dbraw/zinc/86/68/02/1066866802.db2.gz YHBNWLVRUJDPHV-UHFFFAOYSA-N 1 1 463.001 4.974 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1ccccn1 ZINC001492706038 1066866929 /nfs/dbraw/zinc/86/69/29/1066866929.db2.gz ZYVIBCRSHIMLJZ-UHFFFAOYSA-N 1 1 453.953 4.754 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001492706090 1066867750 /nfs/dbraw/zinc/86/77/50/1066867750.db2.gz BYABQBMGHBMHAH-UHFFFAOYSA-N 1 1 484.620 4.765 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C)C(C)(C)C1 ZINC001492706828 1066868926 /nfs/dbraw/zinc/86/89/26/1066868926.db2.gz BILIZPFSUJFGHJ-INIZCTEOSA-N 1 1 474.451 4.514 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(F)(F)CC1 ZINC001492707053 1066869951 /nfs/dbraw/zinc/86/99/51/1066869951.db2.gz JRTXVCMVTGTXCD-UHFFFAOYSA-N 1 1 483.336 4.677 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2cc(Br)cn2C)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001492707143 1066870208 /nfs/dbraw/zinc/87/02/08/1066870208.db2.gz MMVKZXVCXHPOCI-UHFFFAOYSA-N 1 1 486.462 4.824 20 0 JJADMO CC[C@H](C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cccc(C(F)(F)F)c1 ZINC001457583991 1066871488 /nfs/dbraw/zinc/87/14/88/1066871488.db2.gz MVIJTRIMIBPIJY-NRFANRHFSA-N 1 1 453.936 4.791 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2ccccc2F)nnc1N1CCC(OCCC(C)C)CC1 ZINC001492708017 1066871660 /nfs/dbraw/zinc/87/16/60/1066871660.db2.gz NJBDZXBVYZSAAW-UHFFFAOYSA-N 1 1 454.594 4.711 20 0 JJADMO C[N@H+]1CCC[C@@H](c2cccc(C(=O)NCc3cc(Br)ccc3OC(F)F)c2)C1 ZINC001457588364 1066872016 /nfs/dbraw/zinc/87/20/16/1066872016.db2.gz RJSOATDINZQDCY-MRXNPFEDSA-N 1 1 453.327 4.790 20 0 JJADMO Cc1[nH+]ccn1CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001492709220 1066873109 /nfs/dbraw/zinc/87/31/09/1066873109.db2.gz BZYFLMAGSBQLRZ-DOTOQJQBSA-N 1 1 466.483 4.541 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(CCc2ccccc2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001492708947 1066873118 /nfs/dbraw/zinc/87/31/18/1066873118.db2.gz QYSFEYLHCQQDGF-UHFFFAOYSA-N 1 1 460.548 4.827 20 0 JJADMO Cc1nccn1CCCn1c(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nnc1C(C)(C)C ZINC001492709891 1066874565 /nfs/dbraw/zinc/87/45/65/1066874565.db2.gz XBLWLXBFGARIGJ-QPPBQGQZSA-N 1 1 463.674 4.660 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2ccc(F)cc2Br)nnc1N(C)CC1CCCC1 ZINC001492710370 1066875134 /nfs/dbraw/zinc/87/51/34/1066875134.db2.gz MVFHWRKWJYVXQK-UHFFFAOYSA-N 1 1 461.383 4.678 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Br)s2)nnc1N(CCC(C)C)C1CC1 ZINC001492710637 1066875856 /nfs/dbraw/zinc/87/58/56/1066875856.db2.gz WTLOQMWESBIHIX-UHFFFAOYSA-N 1 1 463.449 4.989 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001492710718 1066876129 /nfs/dbraw/zinc/87/61/29/1066876129.db2.gz ZUWCKDXMVONYDE-HSZRJFAPSA-N 1 1 460.985 4.584 20 0 JJADMO Cc1c(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)cnn1-c1ccc(Br)cc1 ZINC001457608700 1066877318 /nfs/dbraw/zinc/87/73/18/1066877318.db2.gz GBQJFRWQOGJYFH-NRFANRHFSA-N 1 1 459.432 4.718 20 0 JJADMO Cc1[nH+]ccn1CCn1c(COc2ccc(Br)cc2)nnc1N(C)C[C@H]1CC=CCC1 ZINC001492711989 1066877749 /nfs/dbraw/zinc/87/77/49/1066877749.db2.gz OLNQAEPIVTZSPN-IBGZPJMESA-N 1 1 485.430 4.617 20 0 JJADMO Cc1nn(C)c(C)c1CN(C)c1nnc(C(C)C)n1CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001492716685 1066882539 /nfs/dbraw/zinc/88/25/39/1066882539.db2.gz TYQWDFKTPIRBFB-HYBUGGRVSA-N 1 1 463.674 4.689 20 0 JJADMO C[NH+]1CCN([C@@H](C(=O)NCc2ccc(-c3ccc(Cl)cc3)cc2F)c2ccccc2)CC1 ZINC001457637125 1066888578 /nfs/dbraw/zinc/88/85/78/1066888578.db2.gz WMGOVGMIVLWLNK-RUZDIDTESA-N 1 1 451.973 4.751 20 0 JJADMO CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N(C)CC(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC001546002059 1066889331 /nfs/dbraw/zinc/88/93/31/1066889331.db2.gz YVBGOPZYKPAWSD-QHCPKHFHSA-N 1 1 466.699 4.953 20 0 JJADMO O=C(N[C@H](Cc1ccccn1)c1ccc(Br)cc1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001448008950 1066889883 /nfs/dbraw/zinc/88/98/83/1066889883.db2.gz YFLKQXJUMZKKCS-WMZHIEFXSA-N 1 1 456.428 4.899 20 0 JJADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CCCC(C)C)CC1 ZINC001492723443 1066894970 /nfs/dbraw/zinc/89/49/70/1066894970.db2.gz NUTJOCGZSCOPJG-UHFFFAOYSA-N 1 1 470.065 4.707 20 0 JJADMO Cc1cc(C)n([C@H]2CCCN(c3nnc(-c4ccccc4Cl)n3CCC[N@H+](C)C(C)C)C2)n1 ZINC001492730019 1066900246 /nfs/dbraw/zinc/90/02/46/1066900246.db2.gz OJIWZYXHZMXNTC-NRFANRHFSA-N 1 1 470.065 4.984 20 0 JJADMO Cc1cc(C)n([C@@H]2CCCN(c3nnc(Cc4ccccc4C)n3CCC[N@H+](C)C(C)C)C2)n1 ZINC001492731192 1066901974 /nfs/dbraw/zinc/90/19/74/1066901974.db2.gz NPAABUALBCSOKI-RUZDIDTESA-N 1 1 463.674 4.562 20 0 JJADMO COc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc1 ZINC001448127270 1066903021 /nfs/dbraw/zinc/90/30/21/1066903021.db2.gz ULHYRBIXLXZBCK-SANMLTNESA-N 1 1 457.574 4.588 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)n2CCC(C)(F)F)n1 ZINC001492733265 1066906495 /nfs/dbraw/zinc/90/64/95/1066906495.db2.gz GPPZDQOXZRQTQR-NFBKMPQASA-N 1 1 485.627 4.674 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(F)cc(F)c3)n2CCC[N@@H+](C)C2CCCCC2)n1 ZINC001492735399 1066908932 /nfs/dbraw/zinc/90/89/32/1066908932.db2.gz VCXANPVNTPAOHX-UHFFFAOYSA-N 1 1 485.627 4.709 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)C[C@@H]3CC=CCC3)n2Cc2ccccc2C[N@H+](C)C(C)C)n1 ZINC001492737801 1066913287 /nfs/dbraw/zinc/91/32/87/1066913287.db2.gz DIPGLYJMQYGUNU-XMMPIXPASA-N 1 1 475.685 4.821 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)CCC(F)(F)F)n2C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n1 ZINC001492738706 1066913585 /nfs/dbraw/zinc/91/35/85/1066913585.db2.gz HEPWRKRNOCHIOE-NQIIRXRSSA-N 1 1 495.619 4.673 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)CCC(F)(F)F)n2C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n1 ZINC001492738708 1066913617 /nfs/dbraw/zinc/91/36/17/1066913617.db2.gz HEPWRKRNOCHIOE-WIYYLYMNSA-N 1 1 495.619 4.673 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)C3CCCCC3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)n1 ZINC001492740103 1066914793 /nfs/dbraw/zinc/91/47/93/1066914793.db2.gz IQHAHQWCJHNSSQ-VJBMBRPKSA-N 1 1 455.695 4.665 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)C3CCCCC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC001492740100 1066914849 /nfs/dbraw/zinc/91/48/49/1066914849.db2.gz IQHAHQWCJHNSSQ-OIBXWCBGSA-N 1 1 455.695 4.665 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C2CC(C(C)(C)C)C2)n1 ZINC001492746243 1066921819 /nfs/dbraw/zinc/92/18/19/1066921819.db2.gz MCUOFRNSRZFGRZ-UHFFFAOYSA-N 1 1 455.695 4.694 20 0 JJADMO CC(C)[C@H](NC(=O)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001448437192 1066927208 /nfs/dbraw/zinc/92/72/08/1066927208.db2.gz JUCGNRLTJRFRDB-GOTSBHOMSA-N 1 1 457.590 4.664 20 0 JJADMO Cc1cc(C)n(CC2CCN(c3nnc(C(C)C)n3CCCC[N@H+]3CCC[C@@H](C)C3)CC2)n1 ZINC001492758221 1066929741 /nfs/dbraw/zinc/92/97/41/1066929741.db2.gz XQPAKFYVWCFJSA-OAQYLSRUSA-N 1 1 455.695 4.644 20 0 JJADMO O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)c1oc(C2CC2)nc1C(F)F ZINC001457830089 1066929812 /nfs/dbraw/zinc/92/98/12/1066929812.db2.gz XSYGOOCZWYYSBR-UHFFFAOYSA-N 1 1 454.315 4.647 20 0 JJADMO CC1(C)C[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)c2ccccc2O1 ZINC001457830165 1066929901 /nfs/dbraw/zinc/92/99/01/1066929901.db2.gz YMPNSBHZHGRDTF-OAQYLSRUSA-N 1 1 457.412 4.875 20 0 JJADMO Cc1cc(C)n(CC2CCN(c3nnc(C(C)(C)C)n3CCCC[N@@H+]3CCC[C@@H](C)C3)CC2)n1 ZINC001492757763 1066930122 /nfs/dbraw/zinc/93/01/22/1066930122.db2.gz MBNLGGODDBPYLR-OAQYLSRUSA-N 1 1 469.722 4.818 20 0 JJADMO CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001457834533 1066930516 /nfs/dbraw/zinc/93/05/16/1066930516.db2.gz QKFSKNLXPSBDLZ-HSQYWUDLSA-N 1 1 451.449 4.904 20 0 JJADMO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC001448478293 1066931163 /nfs/dbraw/zinc/93/11/63/1066931163.db2.gz DREJSKOMFCBWBC-OAHLLOKOSA-N 1 1 450.942 4.898 20 0 JJADMO CC[N@@H+](Cc1ccc(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)cc1)C(C)C ZINC001448505796 1066934721 /nfs/dbraw/zinc/93/47/21/1066934721.db2.gz NFCNCCSFNXPRCR-UHFFFAOYSA-N 1 1 455.400 4.795 20 0 JJADMO Cc1ccc(C)c(N2CCN(C(=O)[C@@H](F)C[NH+](Cc3ccccc3)Cc3ccccc3)CC2)c1 ZINC001546007461 1066935876 /nfs/dbraw/zinc/93/58/76/1066935876.db2.gz XBJDYEFAAIBPDB-MHZLTWQESA-N 1 1 459.609 4.993 20 0 JJADMO Cc1nnc(CCCn2c(CC(C)C)nnc2N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)s1 ZINC001492766114 1066938368 /nfs/dbraw/zinc/93/83/68/1066938368.db2.gz BCJQPCNVIMBOEK-HXUWFJFHSA-N 1 1 473.735 4.750 20 0 JJADMO Cc1nnc(CCn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCC[N@H+](C(C)C)CC2)s1 ZINC001492770661 1066943493 /nfs/dbraw/zinc/94/34/93/1066943493.db2.gz VRIMFBMBHTYUNV-UHFFFAOYSA-N 1 1 497.713 4.693 20 0 JJADMO Cc1nnc(N(C)Cc2ccc(Br)s2)n1C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001492780255 1066947639 /nfs/dbraw/zinc/94/76/39/1066947639.db2.gz HNJGXDVCQQSRLX-HXUWFJFHSA-N 1 1 474.472 4.958 20 0 JJADMO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC(OCc2ccccc2F)CC1 ZINC001457983415 1066951901 /nfs/dbraw/zinc/95/19/01/1066951901.db2.gz RBVCTNMJVXINEW-NRFANRHFSA-N 1 1 454.586 4.900 20 0 JJADMO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC(OCc2ccccc2F)CC1 ZINC001457983419 1066952043 /nfs/dbraw/zinc/95/20/43/1066952043.db2.gz RBVCTNMJVXINEW-OAQYLSRUSA-N 1 1 454.586 4.900 20 0 JJADMO Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1Cc1ccsc1Br ZINC001492804231 1066953436 /nfs/dbraw/zinc/95/34/36/1066953436.db2.gz GTQYNVJNHHFWIF-INIZCTEOSA-N 1 1 466.493 4.940 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)COc1ccc(Cl)cc1Br ZINC001457991585 1066953666 /nfs/dbraw/zinc/95/36/66/1066953666.db2.gz HDMRYBIUCWJRGB-JKSUJKDBSA-N 1 1 451.792 4.603 20 0 JJADMO Cc1nnc(N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492804981 1066953836 /nfs/dbraw/zinc/95/38/36/1066953836.db2.gz VSKWLIASHRSEOL-OYRHEFFESA-N 1 1 490.737 4.816 20 0 JJADMO C[C@H](CC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001448724621 1066953955 /nfs/dbraw/zinc/95/39/55/1066953955.db2.gz VVTLBYDCKSCCRP-CIXCFARBSA-N 1 1 457.659 4.688 20 0 JJADMO Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001448777131 1066957149 /nfs/dbraw/zinc/95/71/49/1066957149.db2.gz UOQPWMLWNLZFMN-IBGZPJMESA-N 1 1 451.954 4.746 20 0 JJADMO Cc1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001492847629 1066957728 /nfs/dbraw/zinc/95/77/28/1066957728.db2.gz KNCGBIDLEWTMBN-RXVVDRJESA-N 1 1 465.564 4.819 20 0 JJADMO Cc1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001492851850 1066958845 /nfs/dbraw/zinc/95/88/45/1066958845.db2.gz LIOYWPSXIXHZKM-VQIMIIECSA-N 1 1 481.954 4.600 20 0 JJADMO Cc1ccc(OCCC(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c(Br)c1 ZINC001458058212 1066963616 /nfs/dbraw/zinc/96/36/16/1066963616.db2.gz IQXABMZHWSKUHG-PZJWPPBQSA-N 1 1 459.428 4.943 20 0 JJADMO C[C@H]1C[C@@H](CCNC(=O)c2cnnn2-c2c(Cl)cccc2Cl)C[N@H+]1Cc1ccccc1 ZINC001458057818 1066963685 /nfs/dbraw/zinc/96/36/85/1066963685.db2.gz IEDRPVYBBFCUBC-FUHWJXTLSA-N 1 1 458.393 4.605 20 0 JJADMO COc1cccc(C(=O)c2ccc(C(=O)NCC[C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)cc2)c1 ZINC001458062001 1066964938 /nfs/dbraw/zinc/96/49/38/1066964938.db2.gz XCPZUGQGPBOQSF-JTHBVZDNSA-N 1 1 456.586 4.957 20 0 JJADMO CC[C@@H](c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@@]1(C)CCCS1)c1ccccc1 ZINC001545720177 1066974284 /nfs/dbraw/zinc/97/42/84/1066974284.db2.gz SFFLILHNRXHSBO-YIXXDRMTSA-N 1 1 485.742 4.900 20 0 JJADMO CC[C@@H](c1nnc(N(C)C2CCCCC2)n1CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC001545720133 1066974352 /nfs/dbraw/zinc/97/43/52/1066974352.db2.gz RKIWRKJDADKNKB-XMMPIXPASA-N 1 1 452.691 4.615 20 0 JJADMO CC[C@@H](c1nnc(N(C)C2CCCCC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001545720133 1066974358 /nfs/dbraw/zinc/97/43/58/1066974358.db2.gz RKIWRKJDADKNKB-XMMPIXPASA-N 1 1 452.691 4.615 20 0 JJADMO CC[C@@H](c1nnc(N(C)C2CCCCC2)n1CC[N@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001545720133 1066974365 /nfs/dbraw/zinc/97/43/65/1066974365.db2.gz RKIWRKJDADKNKB-XMMPIXPASA-N 1 1 452.691 4.615 20 0 JJADMO CC[C@H](c1nnc(N(C)Cc2cc(Cl)ccn2)n1CC[N@H+]1CCC[C@H]1C)c1ccccc1 ZINC001545721748 1066976495 /nfs/dbraw/zinc/97/64/95/1066976495.db2.gz GGWGXLUSPAQIGG-XXBNENTESA-N 1 1 453.034 4.989 20 0 JJADMO CC[C@@H](c1nnc(N(C)Cc2cc(Cl)ccn2)n1CC[N@H+]1CCC[C@H]1C)c1ccccc1 ZINC001545721745 1066976522 /nfs/dbraw/zinc/97/65/22/1066976522.db2.gz GGWGXLUSPAQIGG-AUSIDOKSSA-N 1 1 453.034 4.989 20 0 JJADMO CC[C@@H](c1nnc(N(C)Cc2scnc2C)n1CC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001545722021 1066976821 /nfs/dbraw/zinc/97/68/21/1066976821.db2.gz MBSYCPZPIXMQGE-DENIHFKCSA-N 1 1 452.672 4.953 20 0 JJADMO CC[C@H](c1nnc(N(C)Cc2ccoc2C)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545722221 1066977731 /nfs/dbraw/zinc/97/77/31/1066977731.db2.gz QQPMWLZBFTURME-DQEYMECFSA-N 1 1 465.642 4.715 20 0 JJADMO CC[C@H](c1nnc(N(C)Cc2ccoc2C)n1C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545722224 1066977782 /nfs/dbraw/zinc/97/77/82/1066977782.db2.gz QQPMWLZBFTURME-RPBOFIJWSA-N 1 1 465.642 4.715 20 0 JJADMO COC(=O)c1cc(C)nc(NC[C@H](c2ccc(C(C)C)cc2)[N@@H+]2CCc3sccc3C2)n1 ZINC001458110926 1066978915 /nfs/dbraw/zinc/97/89/15/1066978915.db2.gz BWGWECVFIINWOB-JOCHJYFZSA-N 1 1 450.608 4.968 20 0 JJADMO COC(=O)c1cc(C)nc(NC[C@H](c2ccc(C(C)C)cc2)[N@H+]2CCc3sccc3C2)n1 ZINC001458110926 1066978920 /nfs/dbraw/zinc/97/89/20/1066978920.db2.gz BWGWECVFIINWOB-JOCHJYFZSA-N 1 1 450.608 4.968 20 0 JJADMO CC[C@@H](c1nnc(N(C)CC2CCCCC2)n1C[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC001545724216 1066980356 /nfs/dbraw/zinc/98/03/56/1066980356.db2.gz NMONFAMXWFATFI-RCZVLFRGSA-N 1 1 453.675 4.805 20 0 JJADMO CC[C@@H](c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545726621 1066982339 /nfs/dbraw/zinc/98/23/39/1066982339.db2.gz UGYSZTITMQAGQZ-XZDVRORASA-N 1 1 483.701 4.569 20 0 JJADMO CC[C@@H](c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545726621 1066982347 /nfs/dbraw/zinc/98/23/47/1066982347.db2.gz UGYSZTITMQAGQZ-XZDVRORASA-N 1 1 483.701 4.569 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](C)CC(C)(C)C2)n1CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC001545730938 1066989338 /nfs/dbraw/zinc/98/93/38/1066989338.db2.gz IAUBKQNVCRCDLI-PZUNEJSGSA-N 1 1 467.702 4.929 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)n1CC(C)(C)SC)c1ccccc1 ZINC001545731834 1066991972 /nfs/dbraw/zinc/99/19/72/1066991972.db2.gz SXSNKABWKNVHRN-MDNUFGMLSA-N 1 1 471.715 4.509 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001545731887 1066992219 /nfs/dbraw/zinc/99/22/19/1066992219.db2.gz URGVKZUWPCEHNQ-GPUWNAPISA-N 1 1 453.675 4.802 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1Cc1csc([C@H](C)OC)n1)c1ccccc1 ZINC001545731950 1066992473 /nfs/dbraw/zinc/99/24/73/1066992473.db2.gz VOQOHMGISFNWMM-IHFIDZABSA-N 1 1 482.698 4.951 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCCc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC001449257136 1066992971 /nfs/dbraw/zinc/99/29/71/1066992971.db2.gz BTOZJTSKCBDRKF-FYYLOGMGSA-N 1 1 466.029 4.578 20 0 JJADMO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCCc1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC001449257136 1066992976 /nfs/dbraw/zinc/99/29/76/1066992976.db2.gz BTOZJTSKCBDRKF-FYYLOGMGSA-N 1 1 466.029 4.578 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCCc1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC001449257136 1066992981 /nfs/dbraw/zinc/99/29/81/1066992981.db2.gz BTOZJTSKCBDRKF-FYYLOGMGSA-N 1 1 466.029 4.578 20 0 JJADMO CC[C@@H](c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1C[C@@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC001545733443 1066994887 /nfs/dbraw/zinc/99/48/87/1066994887.db2.gz BNJLMDOQJBWCSC-QNIAMRLHSA-N 1 1 493.618 4.692 20 0 JJADMO CC[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[N@H+](C(C)C)CC1)OC ZINC001546012701 1066995013 /nfs/dbraw/zinc/99/50/13/1066995013.db2.gz MSXDUQRSOUBKJR-JOCHJYFZSA-N 1 1 457.663 4.500 20 0 JJADMO CC[C@H](c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC001545733931 1066996255 /nfs/dbraw/zinc/99/62/55/1066996255.db2.gz KPZZXIYSXXQDMH-UIOOFZCWSA-N 1 1 480.745 4.966 20 0 JJADMO CC[C@@H](c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCCC(C)(C)C)c1ccccc1 ZINC001545735783 1066998766 /nfs/dbraw/zinc/99/87/66/1066998766.db2.gz GSWSETIKHBYURC-KCWPFWIISA-N 1 1 453.675 4.947 20 0 JJADMO CC[C@H](c1nnc(N2CC[C@@H](C)C(C)(C)C2)n1CCC[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001545736183 1066999738 /nfs/dbraw/zinc/99/97/38/1066999738.db2.gz LRXBGJZERZBTDT-NOZRDPDXSA-N 1 1 466.718 4.720 20 0 JJADMO CC[C@@H](c1nnc(N2CC[C@H](CC(C)C)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC001545738123 1067001627 /nfs/dbraw/zinc/00/16/27/1067001627.db2.gz CFLQXHDIQOBTIJ-ILBGXUMGSA-N 1 1 466.718 4.718 20 0 JJADMO CC[C@@H](c1nnc(N2CC[C@H](CC(C)C)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001545738123 1067001637 /nfs/dbraw/zinc/00/16/37/1067001637.db2.gz CFLQXHDIQOBTIJ-ILBGXUMGSA-N 1 1 466.718 4.718 20 0 JJADMO CC[C@@H](c1nnc(N2CC[C@H](CC(C)C)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001545738123 1067001645 /nfs/dbraw/zinc/00/16/45/1067001645.db2.gz CFLQXHDIQOBTIJ-ILBGXUMGSA-N 1 1 466.718 4.718 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1Cc1nnc(C)s1)c1ccccc1 ZINC001545738037 1067001814 /nfs/dbraw/zinc/00/18/14/1067001814.db2.gz ANCQJAFNIXLGNT-JOCHJYFZSA-N 1 1 467.687 4.585 20 0 JJADMO CCOC(=O)c1nc(NCc2ccccc2C[N@@H+](C)Cc2ccco2)ccc1Br ZINC001458203907 1067002519 /nfs/dbraw/zinc/00/25/19/1067002519.db2.gz OEPIIOGRLLGAQC-UHFFFAOYSA-N 1 1 458.356 4.858 20 0 JJADMO CC[C@H](c1nnc(N2CC[C@H](C3CCOCC3)C2)n1CCC[N@@H+](C)C(C)C)c1ccccc1 ZINC001545738699 1067003214 /nfs/dbraw/zinc/00/32/14/1067003214.db2.gz NESIUEBOJWGYQE-DQEYMECFSA-N 1 1 453.675 4.803 20 0 JJADMO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1 ZINC001458214175 1067004744 /nfs/dbraw/zinc/00/47/44/1067004744.db2.gz PCLUKTGOJONCOW-UARRHKHWSA-N 1 1 455.643 4.501 20 0 JJADMO CC[C@H](c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C[C@H]1CCCOC1)c1ccccc1 ZINC001545739244 1067004818 /nfs/dbraw/zinc/00/48/18/1067004818.db2.gz WKSAZJNCPQRZIK-NOZRDPDXSA-N 1 1 453.675 4.803 20 0 JJADMO CCOC(=O)c1nc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)ccc1Br ZINC001458219724 1067006109 /nfs/dbraw/zinc/00/61/09/1067006109.db2.gz NVWLMQXPQXQKSM-HSZRJFAPSA-N 1 1 458.400 4.513 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ncnc2ccc(I)cc21 ZINC001458229741 1067008060 /nfs/dbraw/zinc/00/80/60/1067008060.db2.gz PYBPZDGGKYXANP-KXBFYZLASA-N 1 1 458.347 4.557 20 0 JJADMO CN(C)c1cc(Br)cc(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001458230944 1067008246 /nfs/dbraw/zinc/00/82/46/1067008246.db2.gz OVWCKXRHZJZQPP-CDNPAEQRSA-N 1 1 456.428 4.546 20 0 JJADMO CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001458234316 1067008847 /nfs/dbraw/zinc/00/88/47/1067008847.db2.gz VJYRJBHPNQCYRP-KEZOAJOQSA-N 1 1 457.659 4.733 20 0 JJADMO CC[C@H](c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1CCC[N@@H+](C)C(C)C)c1ccccc1 ZINC001545743810 1067010658 /nfs/dbraw/zinc/01/06/58/1067010658.db2.gz RHKBJSDJROQJSG-DEOSSOPVSA-N 1 1 475.685 4.574 20 0 JJADMO Cc1nc(C[NH+]2CCC(C(=O)NCc3cc(C)cc(NC(=O)OC(C)(C)C)c3)CC2)cs1 ZINC001449464203 1067010589 /nfs/dbraw/zinc/01/05/89/1067010589.db2.gz HYOLYZFAFLGTBH-UHFFFAOYSA-N 1 1 458.628 4.635 20 0 JJADMO COc1ccc(Cl)cc1[C@@H](O)CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001449491391 1067011650 /nfs/dbraw/zinc/01/16/50/1067011650.db2.gz PQPQHPACMWHMLO-CERRFVOPSA-N 1 1 479.020 4.588 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC001545746746 1067015582 /nfs/dbraw/zinc/01/55/82/1067015582.db2.gz UJOMZHQAYJRDFT-NHCUHLMSSA-N 1 1 479.591 4.710 20 0 JJADMO Cc1cc(C(=O)Nc2cc(Br)ccc2N2CC[N@H+](C)C[C@H]2C)c(C)n1CC1CC1 ZINC001449602246 1067017317 /nfs/dbraw/zinc/01/73/17/1067017317.db2.gz RDWHEAYLKYMUMI-MRXNPFEDSA-N 1 1 459.432 4.670 20 0 JJADMO CCC[C@@H]1CN(C(=O)[C@H](OC)c2ccc(Br)s2)CC[N@H+]1Cc1ccccc1 ZINC001458273334 1067018667 /nfs/dbraw/zinc/01/86/67/1067018667.db2.gz CHFZUGPKNQEWOU-YLJYHZDGSA-N 1 1 451.430 4.711 20 0 JJADMO CC(C)[N@H+](Cc1ccc(NC(=O)c2cnc(-c3ncccn3)s2)cc1)C[C@@H]1CCCCO1 ZINC001458273992 1067018726 /nfs/dbraw/zinc/01/87/26/1067018726.db2.gz FVYVLJKXUINMPB-FQEVSTJZSA-N 1 1 451.596 4.632 20 0 JJADMO COc1ccc2c(c1)C[C@@H](C(=O)Nc1ccc(C[N@@H+](C[C@H]3CCCCO3)C(C)C)cc1)CO2 ZINC001458277588 1067019552 /nfs/dbraw/zinc/01/95/52/1067019552.db2.gz KGZNOPZISWMYNL-RCZVLFRGSA-N 1 1 452.595 4.665 20 0 JJADMO O=C(Oc1ccc(F)c(Br)c1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001458278604 1067020119 /nfs/dbraw/zinc/02/01/19/1067020119.db2.gz FOLKMTACUCEMQS-IAGOWNOFSA-N 1 1 461.356 4.866 20 0 JJADMO C[C@H]1CN(C(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC001449698527 1067021618 /nfs/dbraw/zinc/02/16/18/1067021618.db2.gz NLUBDQFSXZIKEJ-MRCUYLHHSA-N 1 1 455.643 4.537 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1C[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC001545750054 1067021867 /nfs/dbraw/zinc/02/18/67/1067021867.db2.gz XMJBRCSFSJWYPW-ZKMPZPQNSA-N 1 1 483.701 4.572 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1C[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC001545750053 1067022008 /nfs/dbraw/zinc/02/20/08/1067022008.db2.gz XMJBRCSFSJWYPW-QLBJFCOMSA-N 1 1 483.701 4.572 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC1(C)CCOCC1)c1ccccc1 ZINC001545751377 1067023837 /nfs/dbraw/zinc/02/38/37/1067023837.db2.gz DVUWOQQVWNDLLG-HSZRJFAPSA-N 1 1 453.675 4.947 20 0 JJADMO CC[C@@H](c1nnc(N2CCCC[C@@H](C)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545751398 1067024023 /nfs/dbraw/zinc/02/40/23/1067024023.db2.gz FLTWHRSMSAXQNQ-PZUNEJSGSA-N 1 1 453.675 4.803 20 0 JJADMO CC[C@H](c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1ncccc1N(C)C)c1ccccc1 ZINC001545751568 1067024490 /nfs/dbraw/zinc/02/44/90/1067024490.db2.gz HVGKAMLUAQHRFA-QHCPKHFHSA-N 1 1 475.685 4.640 20 0 JJADMO C[C@H](Nc1nc(C(F)(F)F)ccc1I)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001458309254 1067026582 /nfs/dbraw/zinc/02/65/82/1067026582.db2.gz IJEIQCIYNJTWNU-RYUDHWBXSA-N 1 1 453.290 4.770 20 0 JJADMO FC(F)(F)c1nc(NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)sc1Br ZINC001458313443 1067027016 /nfs/dbraw/zinc/02/70/16/1067027016.db2.gz MJMKPQWQVSKURO-GFCCVEGCSA-N 1 1 452.365 4.954 20 0 JJADMO FC(F)(F)c1nc(NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)sc1Br ZINC001458313443 1067027031 /nfs/dbraw/zinc/02/70/31/1067027031.db2.gz MJMKPQWQVSKURO-GFCCVEGCSA-N 1 1 452.365 4.954 20 0 JJADMO CC[C@@H](Cn1c(N2CCC[N@H+](C(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 ZINC001546017492 1067030267 /nfs/dbraw/zinc/03/02/67/1067030267.db2.gz VRGWNPILWRTZIB-FIPFOOKPSA-N 1 1 483.701 4.823 20 0 JJADMO CC[C@@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC[N@@H+](CC)C(C)C)c1ccccc1 ZINC001545754646 1067031376 /nfs/dbraw/zinc/03/13/76/1067031376.db2.gz RRLIUFNKGUYWNA-LADGPHEKSA-N 1 1 498.716 4.996 20 0 JJADMO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N3CC[C@@](F)(c4ccccc4C)C3)c2c1C ZINC001458337911 1067034138 /nfs/dbraw/zinc/03/41/38/1067034138.db2.gz MBOYZQQRAFKUCD-DEOSSOPVSA-N 1 1 456.587 4.622 20 0 JJADMO C[N@H+]1CCN(C(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)CC12CCCCC2 ZINC001449888808 1067034251 /nfs/dbraw/zinc/03/42/51/1067034251.db2.gz BZJFZKPEIMEDNR-HSZRJFAPSA-N 1 1 454.014 4.678 20 0 JJADMO CC[C@@H](c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1C[C@@H](OC)C(C)C)c1ccccc1 ZINC001545756847 1067034404 /nfs/dbraw/zinc/03/44/04/1067034404.db2.gz PEKZGBQBDCRAFI-NQHRYMMQSA-N 1 1 453.675 4.802 20 0 JJADMO O=c1c(Cl)c(NC[C@H]2CCC[N@H+]2C2CCCCC2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC001458344323 1067036529 /nfs/dbraw/zinc/03/65/29/1067036529.db2.gz QUMNSOSUKJJKSI-MRXNPFEDSA-N 1 1 455.912 4.509 20 0 JJADMO CC[C@H](c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1CC1CCC(F)(F)CC1)c1ccccc1 ZINC001545758353 1067037526 /nfs/dbraw/zinc/03/75/26/1067037526.db2.gz FDQRHYSJEJUSLE-REWPJTCUSA-N 1 1 475.628 4.802 20 0 JJADMO CC[C@H](c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1Cc1cnn(CC(C)C)c1C)c1ccccc1 ZINC001545758594 1067038857 /nfs/dbraw/zinc/03/88/57/1067038857.db2.gz JKAYLJAHEYWMBS-BWKNWUBXSA-N 1 1 463.674 4.560 20 0 JJADMO CC[C@H](c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC001545758897 1067040449 /nfs/dbraw/zinc/04/04/49/1067040449.db2.gz OWNXEHMENKMAFU-UNMCSNQZSA-N 1 1 484.689 4.654 20 0 JJADMO CCC[C@@H](Nc1nc(C[NH+](C)C)nc2sc(C(=O)OCC)c(C)c21)[C@H](O)c1ccccc1 ZINC001458362051 1067042650 /nfs/dbraw/zinc/04/26/50/1067042650.db2.gz CUHBFKORCYHZNA-YLJYHZDGSA-N 1 1 456.612 4.552 20 0 JJADMO CC[C@@H](c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CC[N@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001545760565 1067043716 /nfs/dbraw/zinc/04/37/16/1067043716.db2.gz FUZQGIDWRXIHLZ-RTWAWAEBSA-N 1 1 479.591 4.710 20 0 JJADMO O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC001450046627 1067044612 /nfs/dbraw/zinc/04/46/12/1067044612.db2.gz JPKSVVYYSBCQIV-SFTDATJTSA-N 1 1 459.403 4.891 20 0 JJADMO CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)Cc1cncn1Cc1ccccc1 ZINC001450109790 1067049975 /nfs/dbraw/zinc/04/99/75/1067049975.db2.gz FSANTWKBFZPBIG-NDEPHWFRSA-N 1 1 458.650 4.666 20 0 JJADMO CC[C@@H](c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCCC[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC001545765449 1067050108 /nfs/dbraw/zinc/05/01/08/1067050108.db2.gz BEEALFRHTABMRR-AICRDVKUSA-N 1 1 453.675 4.539 20 0 JJADMO O=C(Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)c1ccc(-c2ccc(Br)cc2)s1 ZINC001450117455 1067051452 /nfs/dbraw/zinc/05/14/52/1067051452.db2.gz OPFXSJYYUSRTJX-LJQANCHMSA-N 1 1 457.393 4.997 20 0 JJADMO CC[C@H](c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CC[N@@H+]1CCOCC1(C)C)c1ccccc1 ZINC001545768005 1067053190 /nfs/dbraw/zinc/05/31/90/1067053190.db2.gz KWBASBPRTHUAFD-VWPQPMDRSA-N 1 1 475.628 4.658 20 0 JJADMO CC[C@H](c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CC[N@H+]1CCOCC1(C)C)c1ccccc1 ZINC001545768005 1067053209 /nfs/dbraw/zinc/05/32/09/1067053209.db2.gz KWBASBPRTHUAFD-VWPQPMDRSA-N 1 1 475.628 4.658 20 0 JJADMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)C[C@@H]1C ZINC001458431119 1067058991 /nfs/dbraw/zinc/05/89/91/1067058991.db2.gz PDDNFNCYIUNFIL-DLBZAZTESA-N 1 1 458.400 4.565 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC12CCC2 ZINC001450241227 1067063284 /nfs/dbraw/zinc/06/32/84/1067063284.db2.gz QRRLQYQXPFQUII-YADHBBJMSA-N 1 1 459.606 4.619 20 0 JJADMO COc1ccc(CC(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(Cl)c1OC ZINC001458446466 1067063325 /nfs/dbraw/zinc/06/33/25/1067063325.db2.gz GUWXXHZJPBOOJQ-YCRPNKLZSA-N 1 1 455.357 4.501 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC12CCC2 ZINC001450241227 1067063299 /nfs/dbraw/zinc/06/32/99/1067063299.db2.gz QRRLQYQXPFQUII-YADHBBJMSA-N 1 1 459.606 4.619 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC12CCC2 ZINC001450241225 1067063406 /nfs/dbraw/zinc/06/34/06/1067063406.db2.gz QRRLQYQXPFQUII-FGZHOGPDSA-N 1 1 459.606 4.619 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC12CCC2 ZINC001450241225 1067063419 /nfs/dbraw/zinc/06/34/19/1067063419.db2.gz QRRLQYQXPFQUII-FGZHOGPDSA-N 1 1 459.606 4.619 20 0 JJADMO C[C@@H](NC(=O)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1cccc(C2CC2)c1 ZINC001450245187 1067063899 /nfs/dbraw/zinc/06/38/99/1067063899.db2.gz HYIJKQMDKKZJEO-DVECYGJZSA-N 1 1 451.611 4.767 20 0 JJADMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(OCc3ccccc3)nc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458450709 1067065285 /nfs/dbraw/zinc/06/52/85/1067065285.db2.gz WBBPYORGLVESAE-CYFREDJKSA-N 1 1 453.945 4.876 20 0 JJADMO CCC(CC)(Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[N@H+]2CCCC[C@H]2C1)OC ZINC001545774458 1067067425 /nfs/dbraw/zinc/06/74/25/1067067425.db2.gz QDBJMEUTKPVPPI-SFHVURJKSA-N 1 1 494.453 4.726 20 0 JJADMO CC[N@@H+](CCCNc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl)C1CCCCC1 ZINC001458473229 1067070926 /nfs/dbraw/zinc/07/09/26/1067070926.db2.gz SJYSRLJEMXZWQL-UHFFFAOYSA-N 1 1 457.928 4.756 20 0 JJADMO CC[C@]1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001546101390 1067074462 /nfs/dbraw/zinc/07/44/62/1067074462.db2.gz CERTYPRKPIUDIC-UMEGOILYSA-N 1 1 476.065 4.636 20 0 JJADMO CCc1nnc(N2CCC[C@@H]2c2ccc(OC)c(OC)c2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001546510638 1067078023 /nfs/dbraw/zinc/07/80/23/1067078023.db2.gz JMJHWPAVNLOPBJ-JOCHJYFZSA-N 1 1 455.647 4.854 20 0 JJADMO CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)OC ZINC001545784410 1067080737 /nfs/dbraw/zinc/08/07/37/1067080737.db2.gz SHYPTFJBUXEGBQ-LADGPHEKSA-N 1 1 475.722 4.858 20 0 JJADMO CCC(CC)(Cn1c(Cc2c(F)cccc2F)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1)OC ZINC001545787948 1067083416 /nfs/dbraw/zinc/08/34/16/1067083416.db2.gz CHQVPENGNDSCSC-LJQANCHMSA-N 1 1 475.628 4.663 20 0 JJADMO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N[C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC001458535616 1067083677 /nfs/dbraw/zinc/08/36/77/1067083677.db2.gz GNCQBBZUQZXERC-HJSLYDSISA-N 1 1 460.643 4.825 20 0 JJADMO CC1(C)CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)C[C@@H](C(F)(F)F)O1 ZINC001450511701 1067085568 /nfs/dbraw/zinc/08/55/68/1067085568.db2.gz KLLBSIATLFGBFI-GGPKGHCWSA-N 1 1 452.542 4.532 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccc2ccccc2c1 ZINC001458568334 1067089054 /nfs/dbraw/zinc/08/90/54/1067089054.db2.gz QHKCFHSAAQZKEN-QFQXNSOFSA-N 1 1 457.590 4.734 20 0 JJADMO C[C@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1ccc(Br)cc1F ZINC001450596451 1067093281 /nfs/dbraw/zinc/09/32/81/1067093281.db2.gz MQNANJMGBHXRRA-KBXCAEBGSA-N 1 1 455.318 4.923 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)COc1ccc2ccccc2c1Br ZINC001458628495 1067098718 /nfs/dbraw/zinc/09/87/18/1067098718.db2.gz JLHVBMHWLRMOMY-UWJYYQICSA-N 1 1 453.380 4.618 20 0 JJADMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc21 ZINC001450672136 1067101465 /nfs/dbraw/zinc/10/14/65/1067101465.db2.gz JTCPIQPFYYYQHC-INIZCTEOSA-N 1 1 455.400 4.910 20 0 JJADMO CCC(CC)[C@H](CCn1c(C)nnc1N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)OC ZINC001545798642 1067101864 /nfs/dbraw/zinc/10/18/64/1067101864.db2.gz ORZKSOHMLFNHOQ-VWLOTQADSA-N 1 1 453.675 4.920 20 0 JJADMO CCC(CC)[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2CCCC[C@@H]2C1)[NH+](C)C ZINC001545804779 1067116197 /nfs/dbraw/zinc/11/61/97/1067116197.db2.gz BHKRYHRQWYMZKL-XRODADMRSA-N 1 1 486.680 4.598 20 0 JJADMO CC[C@@H](c1nnc(SCc2cccnc2C(F)(F)F)n1-c1ccc(OC)cc1)[NH+](C)C ZINC001458727487 1067119724 /nfs/dbraw/zinc/11/97/24/1067119724.db2.gz CCHKNIPEZDOQPP-KRWDZBQOSA-N 1 1 451.518 4.995 20 0 JJADMO C[C@@H]1[C@@H](NC(=O)CCCCC2CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001450789427 1067121200 /nfs/dbraw/zinc/12/12/00/1067121200.db2.gz JOBYHXMSEWGVQU-QPPBQGQZSA-N 1 1 457.659 4.973 20 0 JJADMO C[C@@H]1[C@H](NC(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)CC[N@H+]1Cc1ccccc1 ZINC001450796600 1067122593 /nfs/dbraw/zinc/12/25/93/1067122593.db2.gz OYKZQCYYPJEJMR-UZUQRXQVSA-N 1 1 452.549 4.976 20 0 JJADMO Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC001450810005 1067125105 /nfs/dbraw/zinc/12/51/05/1067125105.db2.gz YTQNGRLJWCUYJB-UTKZUKDTSA-N 1 1 451.567 4.841 20 0 JJADMO C[C@@]1(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC(c2cccc(Cl)c2F)=NO1 ZINC001450838724 1067129475 /nfs/dbraw/zinc/12/94/75/1067129475.db2.gz BXVHDEFIBDNIMW-DFBJGRDBSA-N 1 1 457.977 4.781 20 0 JJADMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)C1 ZINC001451357291 1067161421 /nfs/dbraw/zinc/16/14/21/1067161421.db2.gz SOJIVTAFVYKXGU-KRWDZBQOSA-N 1 1 453.384 4.614 20 0 JJADMO CCC(CC)c1cc(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@H]2C)on1 ZINC001545823517 1067167474 /nfs/dbraw/zinc/16/74/74/1067167474.db2.gz OWFYDXUOODGOBP-RBUKOAKNSA-N 1 1 496.656 4.821 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(F)c(F)c2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001545826141 1067173364 /nfs/dbraw/zinc/17/33/64/1067173364.db2.gz GZRUGUWXSXVEQW-HTAPYJJXSA-N 1 1 490.643 4.793 20 0 JJADMO CCC(CC)c1cc(Cn2c(N3CC[NH+](Cc4ccccc4OC)CC3)nnc2C(C)(C)C)on1 ZINC001545826393 1067173941 /nfs/dbraw/zinc/17/39/41/1067173941.db2.gz LVMUTTKGYJUHCW-UHFFFAOYSA-N 1 1 480.657 4.846 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001451585669 1067179859 /nfs/dbraw/zinc/17/98/59/1067179859.db2.gz JFDVQGASNSIHGF-MJTJJFPGSA-N 1 1 469.670 4.734 20 0 JJADMO C/C(=C\C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1)c1ccccc1C(F)(F)F ZINC001458871762 1067180952 /nfs/dbraw/zinc/18/09/52/1067180952.db2.gz CZNOOQQNHWYZPU-HXSWCURESA-N 1 1 451.577 4.904 20 0 JJADMO CN(C(=O)[C@H]1CC[C@H]1c1ccc(Cl)cc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001458881053 1067184908 /nfs/dbraw/zinc/18/49/08/1067184908.db2.gz UUCAJXTWYBJUHE-SJROBZAFSA-N 1 1 450.042 4.768 20 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CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H](C)C2)n1C[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001545849948 1067204745 /nfs/dbraw/zinc/20/47/45/1067204745.db2.gz XAUYDSPBKYTWPH-OTPAQWSUSA-N 1 1 480.701 4.516 20 0 JJADMO CC(C)[N@@H+](CCO)CC1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCCCC2)CC1 ZINC001452060900 1067205229 /nfs/dbraw/zinc/20/52/29/1067205229.db2.gz RGBZJZDUCITRQU-UHFFFAOYSA-N 1 1 454.577 4.849 20 0 JJADMO CC(C)N(C(=O)/C=C\[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001452138263 1067208812 /nfs/dbraw/zinc/20/88/12/1067208812.db2.gz QZAXZIKAGWMQGU-YOQJIWRBSA-N 1 1 455.643 4.701 20 0 JJADMO O=C(N[C@H](C[C@H]1CCCO1)C(F)(F)F)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001452527948 1067231611 /nfs/dbraw/zinc/23/16/11/1067231611.db2.gz QIIXXXXEAQMWLF-BHIFYINESA-N 1 1 452.492 4.643 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(CN(C)C(=O)c3cc(-c4c(F)cccc4F)no3)cc2)C[C@H](C)O1 ZINC001452689088 1067243924 /nfs/dbraw/zinc/24/39/24/1067243924.db2.gz VTQNGSMLOBDTHC-CALCHBBNSA-N 1 1 455.505 4.501 20 0 JJADMO Cc1[nH]c(=O)c(C(=O)N(C)Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1-c1ccccc1 ZINC001452690551 1067244364 /nfs/dbraw/zinc/24/43/64/1067244364.db2.gz JJBPSYGSOJJQNK-BGYRXZFFSA-N 1 1 459.590 4.644 20 0 JJADMO Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N3C[C@H](C)[N@H+](Cc4ccccc4)[C@H](C)[C@@H]3C)c2)n1 ZINC001452768010 1067249906 /nfs/dbraw/zinc/24/99/06/1067249906.db2.gz HHTOXNDSSBQGIL-HBMCJLEFSA-N 1 1 459.594 4.666 20 0 JJADMO Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N3C[C@H](C)[N@H+](Cc4ccccc4)[C@@H](C)[C@H]3C)c2)n1 ZINC001452768018 1067250167 /nfs/dbraw/zinc/25/01/67/1067250167.db2.gz HHTOXNDSSBQGIL-PCCBWWKXSA-N 1 1 459.594 4.666 20 0 JJADMO C[C@@H]1Cc2[nH+]cn(CC(=O)Nc3ccc(Oc4ccc(Br)cc4)nc3)c2C[C@@H]1C ZINC001459102266 1067250739 /nfs/dbraw/zinc/25/07/39/1067250739.db2.gz CNPZFOWQZIYPQQ-CABCVRRESA-N 1 1 455.356 4.842 20 0 JJADMO CCC1(CC)CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001546106289 1067250790 /nfs/dbraw/zinc/25/07/90/1067250790.db2.gz PZMHNFZBMKRDMM-QGZVFWFLSA-N 1 1 466.457 4.989 20 0 JJADMO CCOC(=O)c1c2c(sc1NC(=O)CS[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC001459138197 1067258379 /nfs/dbraw/zinc/25/83/79/1067258379.db2.gz CBIVSBUREGUBFV-GOSISDBHSA-N 1 1 458.649 4.750 20 0 JJADMO O=S(=O)(CCS[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC001459139729 1067258929 /nfs/dbraw/zinc/25/89/29/1067258929.db2.gz DPIOTSZYGTXOFR-LJQANCHMSA-N 1 1 454.455 4.621 20 0 JJADMO O=S(=O)(CCS[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC001459139729 1067258939 /nfs/dbraw/zinc/25/89/39/1067258939.db2.gz DPIOTSZYGTXOFR-LJQANCHMSA-N 1 1 454.455 4.621 20 0 JJADMO COc1ccc([C@H]2CCCN2C(=O)CS[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC001459139622 1067259034 /nfs/dbraw/zinc/25/90/34/1067259034.db2.gz BSOBIQMAPKGTGC-ISKFKSNPSA-N 1 1 454.636 4.765 20 0 JJADMO O=S(=O)(CCS[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC001459139728 1067259170 /nfs/dbraw/zinc/25/91/70/1067259170.db2.gz DPIOTSZYGTXOFR-IBGZPJMESA-N 1 1 454.455 4.621 20 0 JJADMO O=S(=O)(CCS[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC001459139728 1067259178 /nfs/dbraw/zinc/25/91/78/1067259178.db2.gz DPIOTSZYGTXOFR-IBGZPJMESA-N 1 1 454.455 4.621 20 0 JJADMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cc(C(F)(F)F)ccc2Br)C1 ZINC001452967375 1067269084 /nfs/dbraw/zinc/26/90/84/1067269084.db2.gz BYJWUJKSHZLAIN-KRWDZBQOSA-N 1 1 455.318 4.857 20 0 JJADMO O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC001452996978 1067272650 /nfs/dbraw/zinc/27/26/50/1067272650.db2.gz YDWVGAZPFCWAFR-SFHVURJKSA-N 1 1 450.385 4.693 20 0 JJADMO C[N@@H+](Cc1ccc2nc(NC(=O)c3c[nH]c(=NC(=O)OC(C)(C)C)s3)sc2c1)C1CC1 ZINC001453111451 1067279329 /nfs/dbraw/zinc/27/93/29/1067279329.db2.gz PGLZQBIVGVLREK-UHFFFAOYSA-N 1 1 459.597 4.946 20 0 JJADMO CCC1(CC)CCN(c2nnc(-c3cccc(C)n3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001546107662 1067281031 /nfs/dbraw/zinc/28/10/31/1067281031.db2.gz UVHDPRNITSUTAS-UHFFFAOYSA-N 1 1 450.606 4.936 20 0 JJADMO C[N@@H+](CCCCCc1cc(-c2cccc(F)c2)no1)C[C@@H](O)c1cc(Br)no1 ZINC001459377677 1067307915 /nfs/dbraw/zinc/30/79/15/1067307915.db2.gz VORUJFMBYRTZHC-GOSISDBHSA-N 1 1 452.324 4.609 20 0 JJADMO COC(=O)CC[N@H+](CC(=O)N(Cc1ccccc1)c1nc2c(cccc2C)s1)CC(C)C ZINC001459391418 1067311316 /nfs/dbraw/zinc/31/13/16/1067311316.db2.gz GFIRDWIXUCOLBO-UHFFFAOYSA-N 1 1 453.608 4.659 20 0 JJADMO C[C@@H]1CCC[C@@H]([N@@H+](CCOc2cccc(S(C)(=O)=O)c2)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC001459392835 1067311357 /nfs/dbraw/zinc/31/13/57/1067311357.db2.gz LVPATRCIGNGRIF-DNVFCKCGSA-N 1 1 459.608 4.525 20 0 JJADMO Cc1ccc(C[C@H]2CCC[N@H+](CC(=O)N3c4ccccc4NC(=O)C[C@H]3C(F)(F)F)C2)cc1 ZINC001459393489 1067311808 /nfs/dbraw/zinc/31/18/08/1067311808.db2.gz OFHHSRFBJXVGFR-KNQAVFIVSA-N 1 1 459.512 4.556 20 0 JJADMO Cc1ccc(C[C@H]2CCC[N@@H+](CC(=O)N3c4ccccc4NC(=O)C[C@H]3C(F)(F)F)C2)cc1 ZINC001459393489 1067311819 /nfs/dbraw/zinc/31/18/19/1067311819.db2.gz OFHHSRFBJXVGFR-KNQAVFIVSA-N 1 1 459.512 4.556 20 0 JJADMO Cc1ccc(C[C@@H]2CCC[N@H+](CC(=O)N3c4ccccc4NC(=O)C[C@@H]3C(F)(F)F)C2)cc1 ZINC001459393501 1067311882 /nfs/dbraw/zinc/31/18/82/1067311882.db2.gz OFHHSRFBJXVGFR-SIKLNZKXSA-N 1 1 459.512 4.556 20 0 JJADMO Cc1ccc(C[C@@H]2CCC[N@@H+](CC(=O)N3c4ccccc4NC(=O)C[C@@H]3C(F)(F)F)C2)cc1 ZINC001459393501 1067311895 /nfs/dbraw/zinc/31/18/95/1067311895.db2.gz OFHHSRFBJXVGFR-SIKLNZKXSA-N 1 1 459.512 4.556 20 0 JJADMO CC[N@H+]1CCCN(Cc2csc(=Nc3ccc(OC)cc3)n2[C@H](C)c2ccccc2)CC1 ZINC001459408264 1067315257 /nfs/dbraw/zinc/31/52/57/1067315257.db2.gz ZGHQFFMHRDZLMU-OAQYLSRUSA-N 1 1 450.652 4.928 20 0 JJADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC001459414647 1067317738 /nfs/dbraw/zinc/31/77/38/1067317738.db2.gz KYRFLLGZIHJSIO-JOCHJYFZSA-N 1 1 454.412 4.890 20 0 JJADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1c(F)ccc(Br)c1F ZINC001459414937 1067318515 /nfs/dbraw/zinc/31/85/15/1067318515.db2.gz LAEPVKDYOXAZFR-LJQANCHMSA-N 1 1 451.355 4.687 20 0 JJADMO CC[C@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)O1 ZINC001546054642 1067327586 /nfs/dbraw/zinc/32/75/86/1067327586.db2.gz PYOAWVFTXQHTHJ-VBANMALSSA-N 1 1 453.675 4.925 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCCn2cc(-c3cccc(NC(=O)OC(C)(C)C)c3)nc21 ZINC001453768777 1067328566 /nfs/dbraw/zinc/32/85/66/1067328566.db2.gz FABLZUMQBYZQQE-OAQYLSRUSA-N 1 1 453.587 4.507 20 0 JJADMO COC(=O)c1ccc(Br)c(C[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC001459457670 1067328726 /nfs/dbraw/zinc/32/87/26/1067328726.db2.gz RWGMYYNPAFATJZ-HXUWFJFHSA-N 1 1 452.776 4.835 20 0 JJADMO C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC001459458965 1067328886 /nfs/dbraw/zinc/32/88/86/1067328886.db2.gz VGTCZKUHDGRWEQ-XOBRGWDASA-N 1 1 451.792 4.875 20 0 JJADMO O=C(NCC(F)(F)c1ccc(Br)cc1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001453882014 1067334183 /nfs/dbraw/zinc/33/41/83/1067334183.db2.gz FVMXIVDFQXXNKU-INIZCTEOSA-N 1 1 455.318 4.708 20 0 JJADMO CN(C[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1)C(=O)OC(C)(C)C ZINC001459474679 1067334357 /nfs/dbraw/zinc/33/43/57/1067334357.db2.gz HOSUYVHMKDQZAK-HNNXBMFYSA-N 1 1 450.377 4.793 20 0 JJADMO CN(C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1)C(=O)OC(C)(C)C ZINC001459474679 1067334363 /nfs/dbraw/zinc/33/43/63/1067334363.db2.gz HOSUYVHMKDQZAK-HNNXBMFYSA-N 1 1 450.377 4.793 20 0 JJADMO COc1cccc([C@H](C)[NH+]2CCN(Cc3ncc(-c4ccccc4Br)o3)CC2)c1 ZINC001459481656 1067336187 /nfs/dbraw/zinc/33/61/87/1067336187.db2.gz QGEWWTGYCVNOPH-KRWDZBQOSA-N 1 1 456.384 4.992 20 0 JJADMO COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](CC(=O)NCc2cccc(COC(C)C)c2)C1 ZINC001459525725 1067344693 /nfs/dbraw/zinc/34/46/93/1067344693.db2.gz JCCWFLPTGLGGKN-OAQYLSRUSA-N 1 1 459.030 4.845 20 0 JJADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC001459528965 1067345361 /nfs/dbraw/zinc/34/53/61/1067345361.db2.gz ZOEOIEQNXBPFJU-WOJBJXKFSA-N 1 1 454.640 4.525 20 0 JJADMO COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC001459530526 1067345993 /nfs/dbraw/zinc/34/59/93/1067345993.db2.gz SGUDBABODUHUGQ-AWEZNQCLSA-N 1 1 452.885 4.563 20 0 JJADMO COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC001459530526 1067346003 /nfs/dbraw/zinc/34/60/03/1067346003.db2.gz SGUDBABODUHUGQ-AWEZNQCLSA-N 1 1 452.885 4.563 20 0 JJADMO COc1ccc2c(c1)[C@H]([N@H+](Cc1ccccc1)C[C@@H](O)c1cc(Br)no1)CCO2 ZINC001459566572 1067353626 /nfs/dbraw/zinc/35/36/26/1067353626.db2.gz AYOBKBHWWHKRFZ-RTBURBONSA-N 1 1 459.340 4.505 20 0 JJADMO Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)cc1 ZINC001459567326 1067354014 /nfs/dbraw/zinc/35/40/14/1067354014.db2.gz VBIIOGMAPHRXKL-DWLFOUALSA-N 1 1 459.512 4.869 20 0 JJADMO CCC[N@@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC001459574321 1067355743 /nfs/dbraw/zinc/35/57/43/1067355743.db2.gz DWHRILHEANXWSS-RPBOFIJWSA-N 1 1 457.659 4.692 20 0 JJADMO C[N@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)[C@H](CCO)c1ccccc1 ZINC001459581010 1067356689 /nfs/dbraw/zinc/35/66/89/1067356689.db2.gz BMQGOPNVNKXVQU-HSZRJFAPSA-N 1 1 451.954 4.586 20 0 JJADMO C[N@@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)[C@H](CCO)c1ccccc1 ZINC001459581010 1067356701 /nfs/dbraw/zinc/35/67/01/1067356701.db2.gz BMQGOPNVNKXVQU-HSZRJFAPSA-N 1 1 451.954 4.586 20 0 JJADMO CS(=O)(=O)c1ccc(F)c(NC(=O)C[N@H+](C2CC2)[C@H]2CCCC[C@H]2C2CCCCC2)c1 ZINC001459594299 1067359536 /nfs/dbraw/zinc/35/95/36/1067359536.db2.gz MENAIZXGTBZKHY-REWPJTCUSA-N 1 1 450.620 4.771 20 0 JJADMO CS(=O)(=O)c1ccc(F)c(NC(=O)C[N@@H+](C2CC2)[C@H]2CCCC[C@H]2C2CCCCC2)c1 ZINC001459594299 1067359547 /nfs/dbraw/zinc/35/95/47/1067359547.db2.gz MENAIZXGTBZKHY-REWPJTCUSA-N 1 1 450.620 4.771 20 0 JJADMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2cnc(Nc3ccccc3)nc2C(F)(F)F)CC1 ZINC001459595132 1067359975 /nfs/dbraw/zinc/35/99/75/1067359975.db2.gz QRFVZBSXDWNWEZ-UHFFFAOYSA-N 1 1 457.456 4.626 20 0 JJADMO CC[N@H+](C)C[C@H]1CCN(C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001459609471 1067362702 /nfs/dbraw/zinc/36/27/02/1067362702.db2.gz MPQQSNBQSWICFK-JPYJTQIMSA-N 1 1 451.438 4.734 20 0 JJADMO CC[N@@H+](C)C[C@H]1CCN(C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001459609471 1067362711 /nfs/dbraw/zinc/36/27/11/1067362711.db2.gz MPQQSNBQSWICFK-JPYJTQIMSA-N 1 1 451.438 4.734 20 0 JJADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 ZINC001459621300 1067366488 /nfs/dbraw/zinc/36/64/88/1067366488.db2.gz YYLAIJYDTZTHID-OAHLLOKOSA-N 1 1 454.514 4.639 20 0 JJADMO O=C(CCc1ccccc1)N1CCC[N@H+](CCCCOc2ccc(Br)cc2)CC1 ZINC001459627754 1067367781 /nfs/dbraw/zinc/36/77/81/1067367781.db2.gz OMSPKUPFHFMTGB-UHFFFAOYSA-N 1 1 459.428 4.775 20 0 JJADMO C[N@@H+](CCN1CCN(c2ccccc2)CC1)Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC001459629249 1067368479 /nfs/dbraw/zinc/36/84/79/1067368479.db2.gz NSYMQBALXCMAJJ-UHFFFAOYSA-N 1 1 451.561 4.798 20 0 JJADMO CN(CC[NH+]1CCN(c2ccccc2)CC1)Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC001459629249 1067368489 /nfs/dbraw/zinc/36/84/89/1067368489.db2.gz NSYMQBALXCMAJJ-UHFFFAOYSA-N 1 1 451.561 4.798 20 0 JJADMO O=C(C[N@H+](Cc1ccccc1)C[C@@H](O)c1cccs1)Nc1ccc(OC(F)(F)F)cc1 ZINC001459647614 1067371235 /nfs/dbraw/zinc/37/12/35/1067371235.db2.gz JXCIDZLTIMFOEM-LJQANCHMSA-N 1 1 450.482 4.821 20 0 JJADMO O=C(C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccs1)Nc1ccc(OC(F)(F)F)cc1 ZINC001459647614 1067371245 /nfs/dbraw/zinc/37/12/45/1067371245.db2.gz JXCIDZLTIMFOEM-LJQANCHMSA-N 1 1 450.482 4.821 20 0 JJADMO C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC001459649225 1067371865 /nfs/dbraw/zinc/37/18/65/1067371865.db2.gz DQWFIVRYKHCUCT-RBUKOAKNSA-N 1 1 458.599 4.889 20 0 JJADMO C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC001459649225 1067371876 /nfs/dbraw/zinc/37/18/76/1067371876.db2.gz DQWFIVRYKHCUCT-RBUKOAKNSA-N 1 1 458.599 4.889 20 0 JJADMO COc1cc(NC(=O)C[NH+]2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)cc(OC)c1 ZINC001459657425 1067373214 /nfs/dbraw/zinc/37/32/14/1067373214.db2.gz RVKIXBHSRNIDAA-UHFFFAOYSA-N 1 1 453.366 4.630 20 0 JJADMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2coc(-c3ccc(I)cc3)n2)C12CCC2 ZINC001459664827 1067376132 /nfs/dbraw/zinc/37/61/32/1067376132.db2.gz BYFXCWWXEPROHU-QZTJIDSGSA-N 1 1 452.336 4.726 20 0 JJADMO COc1cccc([C@H](O)C[N@H+](CC(=O)N(C2CC2)C2CCC(C)CC2)Cc2ccccc2)c1 ZINC001459665508 1067376222 /nfs/dbraw/zinc/37/62/22/1067376222.db2.gz AUJFWIDAHJFDJC-ZNHVGUMHSA-N 1 1 450.623 4.801 20 0 JJADMO COc1cccc([C@H](O)C[N@@H+](CC(=O)N(C2CC2)C2CCC(C)CC2)Cc2ccccc2)c1 ZINC001459665508 1067376234 /nfs/dbraw/zinc/37/62/34/1067376234.db2.gz AUJFWIDAHJFDJC-ZNHVGUMHSA-N 1 1 450.623 4.801 20 0 JJADMO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[N@@H+](C)[C@@H]1C[C@H](OCC)C12CCC2 ZINC001459664664 1067376445 /nfs/dbraw/zinc/37/64/45/1067376445.db2.gz AWTRDRYPKURBLS-RTWAWAEBSA-N 1 1 456.608 4.810 20 0 JJADMO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[N@H+](C)[C@@H]1C[C@H](OCC)C12CCC2 ZINC001459664664 1067376455 /nfs/dbraw/zinc/37/64/55/1067376455.db2.gz AWTRDRYPKURBLS-RTWAWAEBSA-N 1 1 456.608 4.810 20 0 JJADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001459668471 1067377745 /nfs/dbraw/zinc/37/77/45/1067377745.db2.gz HFUBJRNMRLICNO-NZQKXSOJSA-N 1 1 451.659 4.793 20 0 JJADMO C[C@H](c1ccc(Cl)cc1)[N@H+](CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)C1CC1 ZINC001459674891 1067380105 /nfs/dbraw/zinc/38/01/05/1067380105.db2.gz DEFWZGKWWJMKBD-QGZVFWFLSA-N 1 1 458.027 4.693 20 0 JJADMO C[C@H](c1ccc(Cl)cc1)[N@@H+](CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)C1CC1 ZINC001459674891 1067380114 /nfs/dbraw/zinc/38/01/14/1067380114.db2.gz DEFWZGKWWJMKBD-QGZVFWFLSA-N 1 1 458.027 4.693 20 0 JJADMO CCCN(C(=O)c1cccs1)C1CC[NH+](CC(=O)N(CC)[C@H](C)c2ccc(F)cc2)CC1 ZINC001459693793 1067386223 /nfs/dbraw/zinc/38/62/23/1067386223.db2.gz IEKLOVWIFJEKCZ-LJQANCHMSA-N 1 1 459.631 4.814 20 0 JJADMO COc1cc(N[C@@H]2CCC[N@@H+](CC(=O)N(Cc3cccc(F)c3)C(C)(C)C)C2)cc(OC)c1 ZINC001459696242 1067386551 /nfs/dbraw/zinc/38/65/51/1067386551.db2.gz RNCIGGJEVWMEAT-OAQYLSRUSA-N 1 1 457.590 4.547 20 0 JJADMO CC(C)(C)OC(=O)N1CC[N@@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C2(CCCCC2)C1 ZINC001459699142 1067387866 /nfs/dbraw/zinc/38/78/66/1067387866.db2.gz PNTQSGHDAZXUIQ-FQEVSTJZSA-N 1 1 456.549 4.864 20 0 JJADMO C[C@]1(CNC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001459705281 1067388968 /nfs/dbraw/zinc/38/89/68/1067388968.db2.gz FZCUBGQWSSDBPV-YGBRCLJQSA-N 1 1 453.671 4.660 20 0 JJADMO CCCCn1c(C[N@H+]2CCC[C@@H](C)[C@@H]2CCC)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC001459706940 1067389488 /nfs/dbraw/zinc/38/94/88/1067389488.db2.gz BZFYRUVJKFATEI-CTNGQTDRSA-N 1 1 451.615 4.548 20 0 JJADMO COc1ccc([C@@H](CNC(=O)C[N@H+](C)[C@@H](C)c2cccc(O)c2)c2c[nH]c3ccccc32)cc1 ZINC001459718426 1067394729 /nfs/dbraw/zinc/39/47/29/1067394729.db2.gz KJTUVVZXMGSCJW-UQBPGWFLSA-N 1 1 457.574 4.823 20 0 JJADMO COc1ccc([C@@H](CNC(=O)C[N@@H+](C)[C@@H](C)c2cccc(O)c2)c2c[nH]c3ccccc32)cc1 ZINC001459718426 1067394741 /nfs/dbraw/zinc/39/47/41/1067394741.db2.gz KJTUVVZXMGSCJW-UQBPGWFLSA-N 1 1 457.574 4.823 20 0 JJADMO COCCOc1ccccc1N1CC[NH+](Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)CC1 ZINC001459725050 1067396608 /nfs/dbraw/zinc/39/66/08/1067396608.db2.gz ZKDNZTWMUQQHNM-UHFFFAOYSA-N 1 1 450.579 4.572 20 0 JJADMO O=C(NC[C@@H]1CCC[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1)Nc1cccc(F)c1 ZINC001459730084 1067398426 /nfs/dbraw/zinc/39/84/26/1067398426.db2.gz KAYZLGXMJHBGCU-INIZCTEOSA-N 1 1 457.937 4.605 20 0 JJADMO COc1cc(OC)c(OC)cc1C[N@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)C(C)(C)C ZINC001459744552 1067403493 /nfs/dbraw/zinc/40/34/93/1067403493.db2.gz CKWHCZZWUOBZRI-UHFFFAOYSA-N 1 1 454.489 4.970 20 0 JJADMO COc1cc(OC)c(OC)cc1C[N@@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)C(C)(C)C ZINC001459744552 1067403496 /nfs/dbraw/zinc/40/34/96/1067403496.db2.gz CKWHCZZWUOBZRI-UHFFFAOYSA-N 1 1 454.489 4.970 20 0 JJADMO CCN(CCOC)c1cccc(C[N@H+]2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)n1 ZINC001459782411 1067419408 /nfs/dbraw/zinc/41/94/08/1067419408.db2.gz YTDVZSJNGDHNSA-NRFANRHFSA-N 1 1 455.647 4.830 20 0 JJADMO C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001459782399 1067419438 /nfs/dbraw/zinc/41/94/38/1067419438.db2.gz YPXVFKQFVHRFTF-DBXWQHBBSA-N 1 1 450.023 4.629 20 0 JJADMO Cc1ccc2sc(N(Cc3ccccc3)C(=O)C[N@H+](C)C3CCC(CO)CC3)nc2c1C ZINC001459788178 1067422852 /nfs/dbraw/zinc/42/28/52/1067422852.db2.gz ZRCHGBNNCRWAET-UHFFFAOYSA-N 1 1 451.636 4.929 20 0 JJADMO COc1cc(NC(=O)C[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC001459788072 1067422913 /nfs/dbraw/zinc/42/29/13/1067422913.db2.gz NTEQGBMRDWNQNB-UHFFFAOYSA-N 1 1 450.988 4.561 20 0 JJADMO COc1ccc(Br)cc1C[N@@H+](C)CCC(=O)Nc1ccc(Br)cc1 ZINC001459790911 1067423932 /nfs/dbraw/zinc/42/39/32/1067423932.db2.gz NITVAWPJVIEQGN-UHFFFAOYSA-N 1 1 456.178 4.681 20 0 JJADMO COc1ccc(N=c2scc(C[N@H+]3CCC[C@@](C)(CO)C3)n2[C@H](C)c2ccccc2)cc1 ZINC001459798554 1067428657 /nfs/dbraw/zinc/42/86/57/1067428657.db2.gz SUWPDFJRUBXRGN-FQRUVTKNSA-N 1 1 451.636 4.994 20 0 JJADMO CCC1(CC)CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001546112042 1067434025 /nfs/dbraw/zinc/43/40/25/1067434025.db2.gz AJKKFBWDFYOFNB-XMMPIXPASA-N 1 1 483.701 4.991 20 0 JJADMO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC001459814702 1067435399 /nfs/dbraw/zinc/43/53/99/1067435399.db2.gz WORJFKQAYWYIBH-UYAOXDASSA-N 1 1 457.640 4.723 20 0 JJADMO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC001459814702 1067435401 /nfs/dbraw/zinc/43/54/01/1067435401.db2.gz WORJFKQAYWYIBH-UYAOXDASSA-N 1 1 457.640 4.723 20 0 JJADMO Cc1cccc(C)c1OC[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C1(C)C)c1ccccc1 ZINC001459816775 1067436082 /nfs/dbraw/zinc/43/60/82/1067436082.db2.gz IRUVDMMNVLWZTB-QHCPKHFHSA-N 1 1 457.574 4.777 20 0 JJADMO CC(C)([NH2+]CC(=O)NCc1cccc(OCC(F)(F)F)c1)c1ccccc1Br ZINC001459818545 1067437628 /nfs/dbraw/zinc/43/76/28/1067437628.db2.gz QUDMAFWIZYMEHH-UHFFFAOYSA-N 1 1 459.306 4.531 20 0 JJADMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cccnc1Oc1ccc(F)cc1Br ZINC001459825336 1067440872 /nfs/dbraw/zinc/44/08/72/1067440872.db2.gz GRKRSYPPIXEPIW-GOSISDBHSA-N 1 1 450.352 4.626 20 0 JJADMO Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC001459827105 1067441288 /nfs/dbraw/zinc/44/12/88/1067441288.db2.gz PUHNHXOAIUJCBE-QGZVFWFLSA-N 1 1 451.995 4.952 20 0 JJADMO C[N@@H+](C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[C@@H]1CCCC[C@@H]1O ZINC001459840143 1067448201 /nfs/dbraw/zinc/44/82/01/1067448201.db2.gz LMSNEAJCVUYVHR-VJBMBRPKSA-N 1 1 452.422 4.943 20 0 JJADMO C[N@@H+](C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[C@H]1CCCC[C@H]1O ZINC001459840149 1067448230 /nfs/dbraw/zinc/44/82/30/1067448230.db2.gz LMSNEAJCVUYVHR-WTIAFYNJSA-N 1 1 452.422 4.943 20 0 JJADMO CCC1(CC)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCn2cc[nH+]c2C)C1 ZINC001546112220 1067451454 /nfs/dbraw/zinc/45/14/54/1067451454.db2.gz IYRXVTHQEBNXGS-OYRHEFFESA-N 1 1 485.677 4.661 20 0 JJADMO CCOC(=O)C1C(C[NH2+][C@H](c2ccccc2C)C(C)C)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001459850085 1067454964 /nfs/dbraw/zinc/45/49/64/1067454964.db2.gz NASRGFJXJXYMMQ-GOTSBHOMSA-N 1 1 455.986 4.806 20 0 JJADMO COc1ccc(C[NH2+][C@H](CNS(=O)(=O)c2ccc(C)cc2C)c2ccccc2)cc1Cl ZINC001459850403 1067455565 /nfs/dbraw/zinc/45/55/65/1067455565.db2.gz JTGCULXUSPFDKS-JOCHJYFZSA-N 1 1 459.011 4.775 20 0 JJADMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC001459865755 1067463560 /nfs/dbraw/zinc/46/35/60/1067463560.db2.gz YROVUKJTIHHNLX-HUUCEWRRSA-N 1 1 450.377 4.839 20 0 JJADMO COC(=O)c1cccc(-c2nc(C[N@H+](Cc3ccc(OC)cc3)[C@H](CO)C(C)C)cs2)c1 ZINC001459866981 1067464645 /nfs/dbraw/zinc/46/46/45/1067464645.db2.gz ZUZKLSOKQFSROM-HSZRJFAPSA-N 1 1 454.592 4.624 20 0 JJADMO COC(=O)c1cccc(-c2nc(C[N@@H+](Cc3ccc(OC)cc3)[C@H](CO)C(C)C)cs2)c1 ZINC001459866981 1067464649 /nfs/dbraw/zinc/46/46/49/1067464649.db2.gz ZUZKLSOKQFSROM-HSZRJFAPSA-N 1 1 454.592 4.624 20 0 JJADMO C[C@H]1CN(Cc2cccc(C[NH+]3CCOCC3)c2)c2ccccc2CN1C(=O)OC(C)(C)C ZINC001459883121 1067472276 /nfs/dbraw/zinc/47/22/76/1067472276.db2.gz PPMOQICTEOXLKG-NRFANRHFSA-N 1 1 451.611 4.665 20 0 JJADMO CC[C@H](c1ccncc1)[N@H+](C)CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC001459891231 1067475279 /nfs/dbraw/zinc/47/52/79/1067475279.db2.gz MOMRCJCLGFGAMX-RPLLCQBOSA-N 1 1 456.590 4.903 20 0 JJADMO CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC001459891231 1067475284 /nfs/dbraw/zinc/47/52/84/1067475284.db2.gz MOMRCJCLGFGAMX-RPLLCQBOSA-N 1 1 456.590 4.903 20 0 JJADMO CC[C@@H]1C[N@@H+](CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001459893106 1067476223 /nfs/dbraw/zinc/47/62/23/1067476223.db2.gz UAHNTHFMQKRCQN-QPPBQGQZSA-N 1 1 457.659 4.926 20 0 JJADMO CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC001459894112 1067476702 /nfs/dbraw/zinc/47/67/02/1067476702.db2.gz OATVUUMFKJZHIK-KRWDZBQOSA-N 1 1 454.958 4.693 20 0 JJADMO Cc1cc(Br)c(NC(=O)C[NH2+][C@@H](C)c2cnn(C(C)C)c2)c(Br)c1 ZINC001459903441 1067481474 /nfs/dbraw/zinc/48/14/74/1067481474.db2.gz TYJAARWXWSYXBE-LBPRGKRZSA-N 1 1 458.198 4.587 20 0 JJADMO COc1cc2nc(C[NH2+][C@@H](C)c3sc(-c4ccc(C)cc4)nc3C)[nH]c(=O)c2cc1OC ZINC001459905840 1067483064 /nfs/dbraw/zinc/48/30/64/1067483064.db2.gz RQUGVZAAAQAFOY-AWEZNQCLSA-N 1 1 450.564 4.944 20 0 JJADMO COc1cccc(S(=O)(=O)CC[NH2+][C@@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)c1 ZINC001459912582 1067487377 /nfs/dbraw/zinc/48/73/77/1067487377.db2.gz SPGZCVMZLDWCLV-AWEZNQCLSA-N 1 1 451.013 4.905 20 0 JJADMO CCNC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)c1 ZINC001459913098 1067487388 /nfs/dbraw/zinc/48/73/88/1067487388.db2.gz VTZPCJFWKHVPCT-AWEZNQCLSA-N 1 1 456.999 4.811 20 0 JJADMO NC(=O)c1ccc(-c2nc(C[N@H+]3CC=C(c4cccc(Br)c4)CC3)cs2)cc1 ZINC001459915473 1067488318 /nfs/dbraw/zinc/48/83/18/1067488318.db2.gz VZJOCKMNFZKEOA-UHFFFAOYSA-N 1 1 454.393 4.961 20 0 JJADMO NC(=O)c1ccc(-c2nc(C[N@@H+]3CC=C(c4cccc(Br)c4)CC3)cs2)cc1 ZINC001459915473 1067488323 /nfs/dbraw/zinc/48/83/23/1067488323.db2.gz VZJOCKMNFZKEOA-UHFFFAOYSA-N 1 1 454.393 4.961 20 0 JJADMO CC[C@@H]1CN(CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC001459916555 1067489492 /nfs/dbraw/zinc/48/94/92/1067489492.db2.gz MWSFDZGMZMPVNP-PXJZQJOASA-N 1 1 459.609 4.970 20 0 JJADMO CCOc1ccc([C@@H](C)NC(=O)C[N@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1OC ZINC001459930705 1067496102 /nfs/dbraw/zinc/49/61/02/1067496102.db2.gz KVBBFCPJPSXKGD-VQIMIIECSA-N 1 1 450.501 4.779 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC001459944013 1067501441 /nfs/dbraw/zinc/50/14/41/1067501441.db2.gz PCJLQNPFCYGMMI-AREMUKBSSA-N 1 1 457.615 4.511 20 0 JJADMO COc1ccccc1-c1nc(C[NH2+][C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)co1 ZINC001459951359 1067504195 /nfs/dbraw/zinc/50/41/95/1067504195.db2.gz QCHZMQHZUGEYPF-NFBKMPQASA-N 1 1 457.933 4.983 20 0 JJADMO COc1ccccc1-c1nc(C[NH2+][C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)co1 ZINC001459951371 1067504353 /nfs/dbraw/zinc/50/43/53/1067504353.db2.gz QCHZMQHZUGEYPF-OFNKIYASSA-N 1 1 457.933 4.983 20 0 JJADMO CCC1(CC)CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC001459950331 1067504467 /nfs/dbraw/zinc/50/44/67/1067504467.db2.gz ODRGZIKSAODSBS-UHFFFAOYSA-N 1 1 451.567 4.898 20 0 JJADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F ZINC001459955795 1067506237 /nfs/dbraw/zinc/50/62/37/1067506237.db2.gz VNXIFLLXABFBLX-HOTGVXAUSA-N 1 1 452.509 4.912 20 0 JJADMO CCOC(=O)c1sc(NC(=O)C[N@@H+](C)[C@@H]2CCCC[C@H]2C)c(C(=O)OC(C)(C)C)c1C ZINC001459955774 1067506381 /nfs/dbraw/zinc/50/63/81/1067506381.db2.gz VGMBASDGXRCQEL-GDBMZVCRSA-N 1 1 452.617 4.638 20 0 JJADMO C[N@@H+](Cc1cccc(Br)c1OC[C@H]1CCCO1)Cc1c[nH]c(=O)c2ccccc12 ZINC001459959316 1067507752 /nfs/dbraw/zinc/50/77/52/1067507752.db2.gz PIHJGWNMKIINDT-GOSISDBHSA-N 1 1 457.368 4.893 20 0 JJADMO C[N@H+](Cc1cccc(Br)c1OC[C@H]1CCCO1)Cc1c[nH]c(=O)c2ccccc12 ZINC001459959316 1067507759 /nfs/dbraw/zinc/50/77/59/1067507759.db2.gz PIHJGWNMKIINDT-GOSISDBHSA-N 1 1 457.368 4.893 20 0 JJADMO Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](Cn3cnc4ccccc43)C2)ccc1Br ZINC001459958660 1067507823 /nfs/dbraw/zinc/50/78/23/1067507823.db2.gz GWPSVIPISRTHDG-QZTJIDSGSA-N 1 1 455.400 4.846 20 0 JJADMO O=C(C[N@@H+](CCO)C1CCC1)N(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC001459962107 1067508797 /nfs/dbraw/zinc/50/87/97/1067508797.db2.gz CRSYWNPNTABDAS-UHFFFAOYSA-N 1 1 456.011 4.844 20 0 JJADMO O=C(C[N@H+](CCO)C1CCC1)N(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC001459962107 1067508803 /nfs/dbraw/zinc/50/88/03/1067508803.db2.gz CRSYWNPNTABDAS-UHFFFAOYSA-N 1 1 456.011 4.844 20 0 JJADMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N(Cc2ncc[nH]2)c2ccc(Br)c(Cl)c2)C1 ZINC001459970359 1067510806 /nfs/dbraw/zinc/51/08/06/1067510806.db2.gz BIKLTGWIEDWDMO-IBGZPJMESA-N 1 1 457.775 4.571 20 0 JJADMO CCOc1ccc(CCCC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1OCC ZINC001459977021 1067512907 /nfs/dbraw/zinc/51/29/07/1067512907.db2.gz GSZWNOLFAVWGJF-MUUNZHRXSA-N 1 1 450.623 4.931 20 0 JJADMO CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccsc2)cc1 ZINC001459999400 1067521012 /nfs/dbraw/zinc/52/10/12/1067521012.db2.gz ZAAGPKNVDPNIPE-QFIPXVFZSA-N 1 1 457.640 4.801 20 0 JJADMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccc(Br)cc1Cl ZINC001460001347 1067521874 /nfs/dbraw/zinc/52/18/74/1067521874.db2.gz VRXOJMPKWKLRKB-AWEZNQCLSA-N 1 1 457.821 4.835 20 0 JJADMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccc(Br)cc1Cl ZINC001460001347 1067521883 /nfs/dbraw/zinc/52/18/83/1067521883.db2.gz VRXOJMPKWKLRKB-AWEZNQCLSA-N 1 1 457.821 4.835 20 0 JJADMO OC[C@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1ccc(Cl)cc1C(F)(F)F ZINC001460014913 1067528166 /nfs/dbraw/zinc/52/81/66/1067528166.db2.gz GJYLNSCZKRENOZ-AWEZNQCLSA-N 1 1 452.654 4.673 20 0 JJADMO Cc1c(Cl)cccc1N1CCCN(C(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC001460014815 1067528257 /nfs/dbraw/zinc/52/82/57/1067528257.db2.gz NQYJACNDCBLJLS-WOJBJXKFSA-N 1 1 456.030 4.610 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H](CC[NH+]2CCN(C(=O)c3cc4ccccc4s3)CC2)C1 ZINC001460019371 1067530621 /nfs/dbraw/zinc/53/06/21/1067530621.db2.gz VQUQPMPLCRFQII-LJQANCHMSA-N 1 1 457.640 4.696 20 0 JJADMO C[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)c1nc(C(F)(F)F)cs1 ZINC001460021940 1067531588 /nfs/dbraw/zinc/53/15/88/1067531588.db2.gz XMUHHUCJRVPRQX-SCZZXKLOSA-N 1 1 459.715 4.668 20 0 JJADMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC001460039519 1067536595 /nfs/dbraw/zinc/53/65/95/1067536595.db2.gz LKZBYZCQXZOWOY-GFRNBQLOSA-N 1 1 455.624 4.591 20 0 JJADMO C[C@@H]([NH2+]CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)c1ccc(Br)cn1 ZINC001460042384 1067537530 /nfs/dbraw/zinc/53/75/30/1067537530.db2.gz ZBTRHPKKXCHAGF-VGSWGCGISA-N 1 1 450.380 4.669 20 0 JJADMO COC(=O)c1ccc(OC)c(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4OC)cs3)C2)c1 ZINC001460055078 1067540205 /nfs/dbraw/zinc/54/02/05/1067540205.db2.gz YALQERKNWIYVRY-SFHVURJKSA-N 1 1 452.576 4.994 20 0 JJADMO C[C@@H]1CSCC[N@H+](CC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)C1 ZINC001460058016 1067541562 /nfs/dbraw/zinc/54/15/62/1067541562.db2.gz KSHVVQVJMQFLDT-HNNXBMFYSA-N 1 1 451.514 4.581 20 0 JJADMO C[C@@H]1CSCC[N@@H+](CC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)C1 ZINC001460058016 1067541568 /nfs/dbraw/zinc/54/15/68/1067541568.db2.gz KSHVVQVJMQFLDT-HNNXBMFYSA-N 1 1 451.514 4.581 20 0 JJADMO O=C(C[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001460084097 1067549791 /nfs/dbraw/zinc/54/97/91/1067549791.db2.gz LLSREYAYUMAHDC-KRWDZBQOSA-N 1 1 454.354 4.908 20 0 JJADMO CCc1ccc(N2CC[NH+](C[C@](C)(O)c3ccc(Br)cc3F)CC2)cc1Cl ZINC001460090095 1067551705 /nfs/dbraw/zinc/55/17/05/1067551705.db2.gz OJADHJRYFUOMJZ-NRFANRHFSA-N 1 1 455.799 4.834 20 0 JJADMO Cc1oc2ccccc2c1CC(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC001460092176 1067552146 /nfs/dbraw/zinc/55/21/46/1067552146.db2.gz GUVFKNLNEZCYDL-OAHLLOKOSA-N 1 1 456.384 4.825 20 0 JJADMO COc1ccc(/C(C)=C/C(=O)Nc2cc(Br)ccc2N2CC[N@@H+](C)C[C@H]2C)cc1 ZINC001460095720 1067553440 /nfs/dbraw/zinc/55/34/40/1067553440.db2.gz XQMIWSQPXOYQEB-HJUDDPQBSA-N 1 1 458.400 4.640 20 0 JJADMO CC(C)(C)c1nnc(NC(=O)C[NH2+][C@H](Cc2ccccc2)c2nc3ccccc3s2)s1 ZINC001460103617 1067555887 /nfs/dbraw/zinc/55/58/87/1067555887.db2.gz PAMOQUNLLWCVSC-QGZVFWFLSA-N 1 1 451.621 4.957 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3cccc4c(Br)ccnc34)cc2)C[C@H](C)O1 ZINC001460114117 1067558057 /nfs/dbraw/zinc/55/80/57/1067558057.db2.gz GSFDCRNRASQDHU-IYBDPMFKSA-N 1 1 454.368 4.859 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3cccc4c(Br)ccnc34)cc2)C[C@H](C)O1 ZINC001460114117 1067558059 /nfs/dbraw/zinc/55/80/59/1067558059.db2.gz GSFDCRNRASQDHU-IYBDPMFKSA-N 1 1 454.368 4.859 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(Br)c(Cl)c2)CC1 ZINC001460113803 1067558079 /nfs/dbraw/zinc/55/80/79/1067558079.db2.gz KZQDSIOXVYFLMN-MOPGFXCFSA-N 1 1 473.839 4.997 20 0 JJADMO C[N@H+](Cc1ncc(-c2ccc(Br)cc2)o1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001460124322 1067560130 /nfs/dbraw/zinc/56/01/30/1067560130.db2.gz ACWXSBXMUBZVDT-UHFFFAOYSA-N 1 1 450.377 4.983 20 0 JJADMO C[N@@H+](Cc1ncc(-c2ccc(Br)cc2)o1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001460124322 1067560136 /nfs/dbraw/zinc/56/01/36/1067560136.db2.gz ACWXSBXMUBZVDT-UHFFFAOYSA-N 1 1 450.377 4.983 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@H](C[N@H+]3CC[C@@H](Sc4cccc(Cl)c4)C3)C2)C1 ZINC001460146568 1067564469 /nfs/dbraw/zinc/56/44/69/1067564469.db2.gz YTPGHDVXYJDYKO-JXHRLWIKSA-N 1 1 453.048 4.923 20 0 JJADMO COc1ccc([C@@H](O)C2CC[NH+](CC(=O)N[C@H](c3ccccc3)C3CCCCC3)CC2)cc1 ZINC001460152050 1067565970 /nfs/dbraw/zinc/56/59/70/1067565970.db2.gz STWLZRQUVMWLMA-VSGBNLITSA-N 1 1 450.623 4.878 20 0 JJADMO CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC001460154728 1067566384 /nfs/dbraw/zinc/56/63/84/1067566384.db2.gz YSLUDLJCMMPRIZ-VWLOTQADSA-N 1 1 458.002 4.887 20 0 JJADMO CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC001460154727 1067566422 /nfs/dbraw/zinc/56/64/22/1067566422.db2.gz YSLUDLJCMMPRIZ-RUZDIDTESA-N 1 1 458.002 4.887 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(Cl)c(F)c3)C2)C1 ZINC001460155682 1067566467 /nfs/dbraw/zinc/56/64/67/1067566467.db2.gz AWHHSHIFNXPCNC-DLBZAZTESA-N 1 1 453.986 4.777 20 0 JJADMO Cc1ccccc1C[N@H+](Cc1ccccn1)C[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001460158466 1067567337 /nfs/dbraw/zinc/56/73/37/1067567337.db2.gz PNCLIJVCEDLHJM-RPLLCQBOSA-N 1 1 451.611 4.808 20 0 JJADMO CC(C)C[C@H]1CN(Cc2ccc(Cl)cc2)CC[N@@H+]1CC(=O)NCC1(c2ccccc2)CC1 ZINC001460169823 1067569192 /nfs/dbraw/zinc/56/91/92/1067569192.db2.gz IWZAFULOQWTUIQ-VWLOTQADSA-N 1 1 454.058 4.720 20 0 JJADMO CC(C)C[C@H]1CN(Cc2ccc(Cl)cc2)CC[N@H+]1CC(=O)NCC1(c2ccccc2)CC1 ZINC001460169823 1067569197 /nfs/dbraw/zinc/56/91/97/1067569197.db2.gz IWZAFULOQWTUIQ-VWLOTQADSA-N 1 1 454.058 4.720 20 0 JJADMO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001460172252 1067569538 /nfs/dbraw/zinc/56/95/38/1067569538.db2.gz PMTDIVCHCFWFQQ-LJQANCHMSA-N 1 1 456.428 4.764 20 0 JJADMO Cc1ccc(CN(C(=O)C[N@H+]2CCN(Cc3ccc(Cl)cc3)C[C@@H]2CC(C)C)C2CC2)o1 ZINC001460174819 1067570495 /nfs/dbraw/zinc/57/04/95/1067570495.db2.gz XTBRWQXTFGSPEV-DEOSSOPVSA-N 1 1 458.046 4.965 20 0 JJADMO Cc1ccc(CN(C(=O)C[N@@H+]2CCN(Cc3ccc(Cl)cc3)C[C@@H]2CC(C)C)C2CC2)o1 ZINC001460174819 1067570499 /nfs/dbraw/zinc/57/04/99/1067570499.db2.gz XTBRWQXTFGSPEV-DEOSSOPVSA-N 1 1 458.046 4.965 20 0 JJADMO C[C@@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC001460174317 1067570558 /nfs/dbraw/zinc/57/05/58/1067570558.db2.gz WJKWTDBXKWYJCZ-IERDGZPVSA-N 1 1 455.352 4.892 20 0 JJADMO O[C@@H](C[N@@H+](CCc1ccc(Cl)cc1)CCc1ccc2c(c1)OC(F)(F)O2)C(F)(F)F ZINC001460175280 1067570898 /nfs/dbraw/zinc/57/08/98/1067570898.db2.gz MKPDEMBDLJJBMA-SFHVURJKSA-N 1 1 451.819 4.672 20 0 JJADMO C[C@@H]([NH2+][C@H](CO)c1ccc(Br)c(F)c1)C(=O)Nc1cc(Cl)ccc1Cl ZINC001460175596 1067571147 /nfs/dbraw/zinc/57/11/47/1067571147.db2.gz VLMWJKJOAMYOOG-JDNHERCYSA-N 1 1 450.135 4.545 20 0 JJADMO CC(C)(C)OC(=O)NCc1cn([C@@H]2CCC[N@@H+](Cc3ccc(-c4cccs4)cc3)C2)nn1 ZINC001460197919 1067576799 /nfs/dbraw/zinc/57/67/99/1067576799.db2.gz ODFSZJXPZUCUTL-OAQYLSRUSA-N 1 1 453.612 4.868 20 0 JJADMO COc1ccc([C@@H](Cc2ccccc2)[NH2+]Cc2nnnn2-c2ccc(C(F)(F)F)cc2)cc1 ZINC001460199884 1067577697 /nfs/dbraw/zinc/57/76/97/1067577697.db2.gz XBQMSRQFBNEEKE-JOCHJYFZSA-N 1 1 453.468 4.763 20 0 JJADMO NC(=O)c1c(NC(=O)C[NH2+][C@@H](c2c(Cl)cccc2Cl)C2CC2)sc2c1CCCC2 ZINC001460200885 1067577896 /nfs/dbraw/zinc/57/78/96/1067577896.db2.gz XEEWCGFPRJJBTQ-LJQANCHMSA-N 1 1 452.407 4.712 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)OC(C)(C)C)CC[C@H]1c1ccc(F)cc1 ZINC001460205745 1067578634 /nfs/dbraw/zinc/57/86/34/1067578634.db2.gz AUHYZLNZHRCXCF-BHIFYINESA-N 1 1 477.621 4.908 20 0 JJADMO C[C@@H]1CC[N@@H+](CC(=O)N(Cc2ccccc2)c2ccccc2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460206503 1067579003 /nfs/dbraw/zinc/57/90/03/1067579003.db2.gz SHNBTDXPWIJORQ-FYYLOGMGSA-N 1 1 451.611 4.703 20 0 JJADMO CN(C)c1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001460217153 1067581670 /nfs/dbraw/zinc/58/16/70/1067581670.db2.gz XPKPXNFCKAXOGO-NFBKMPQASA-N 1 1 458.647 4.583 20 0 JJADMO CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)C[N@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC001460222121 1067583028 /nfs/dbraw/zinc/58/30/28/1067583028.db2.gz USFXNOWZFBQFRB-MRXNPFEDSA-N 1 1 457.571 4.730 20 0 JJADMO CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)C[N@@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC001460222121 1067583034 /nfs/dbraw/zinc/58/30/34/1067583034.db2.gz USFXNOWZFBQFRB-MRXNPFEDSA-N 1 1 457.571 4.730 20 0 JJADMO COc1cccc([C@H]2C[C@H]([N@@H+](C)C[C@H](O)COc3ccc(Cl)cc3Br)C2)c1 ZINC001460230416 1067585099 /nfs/dbraw/zinc/58/50/99/1067585099.db2.gz MBSUYNCBWWYBBQ-SZMVWBNQSA-N 1 1 454.792 4.729 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2C(F)(F)F)C[C@H]1c1cccc(F)c1 ZINC001460236209 1067586856 /nfs/dbraw/zinc/58/68/56/1067586856.db2.gz VWIOXHODTCWIMS-CEWLAPEOSA-N 1 1 468.491 4.871 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2C(F)(F)F)C[C@H]1c1cccc(F)c1 ZINC001460236209 1067586866 /nfs/dbraw/zinc/58/68/66/1067586866.db2.gz VWIOXHODTCWIMS-CEWLAPEOSA-N 1 1 468.491 4.871 20 0 JJADMO Cc1sc(NC(=O)CN2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc1-c1ccc(Cl)cc1 ZINC001460240651 1067589139 /nfs/dbraw/zinc/58/91/39/1067589139.db2.gz MPBFMVJQZRGQOI-QGZVFWFLSA-N 1 1 455.027 4.917 20 0 JJADMO C[N@H+](C[C@@H](O)c1ccccc1Br)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001460245143 1067589990 /nfs/dbraw/zinc/58/99/90/1067589990.db2.gz IJNZBHGZHMVQML-QZTJIDSGSA-N 1 1 458.183 4.527 20 0 JJADMO C[N@@H+](C[C@@H](O)c1ccccc1Br)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001460245143 1067589998 /nfs/dbraw/zinc/58/99/98/1067589998.db2.gz IJNZBHGZHMVQML-QZTJIDSGSA-N 1 1 458.183 4.527 20 0 JJADMO CCC1(CC)CN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC[N@@H+](C)CCOC)CCS1 ZINC001546115046 1067590841 /nfs/dbraw/zinc/59/08/41/1067590841.db2.gz PTOMCHRFGXQMGO-UHFFFAOYSA-N 1 1 491.771 4.966 20 0 JJADMO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[N@@H+]1CCC[C@H](CCO)CC1 ZINC001460259798 1067592885 /nfs/dbraw/zinc/59/28/85/1067592885.db2.gz VXIHCUFFEHRMOW-IBGZPJMESA-N 1 1 458.624 4.632 20 0 JJADMO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[N@H+]1CCC[C@H](CCO)CC1 ZINC001460259798 1067592892 /nfs/dbraw/zinc/59/28/92/1067592892.db2.gz VXIHCUFFEHRMOW-IBGZPJMESA-N 1 1 458.624 4.632 20 0 JJADMO CC(C)(C)OC(=O)CC[C@H]1CCC[N@H+]([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC001460260981 1067593033 /nfs/dbraw/zinc/59/30/33/1067593033.db2.gz XLIBBJODNADTBE-VQIMIIECSA-N 1 1 456.505 4.524 20 0 JJADMO CC(C)c1ccc(OCCNC(=O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2Br)cc1 ZINC001460273361 1067595386 /nfs/dbraw/zinc/59/53/86/1067595386.db2.gz XFQMKEOPWZIKOA-OAQYLSRUSA-N 1 1 459.428 4.775 20 0 JJADMO CC(C)c1ccc(OCCNC(=O)C[N@H+]2CCC[C@@H]2Cc2ccccc2Br)cc1 ZINC001460273361 1067595390 /nfs/dbraw/zinc/59/53/90/1067595390.db2.gz XFQMKEOPWZIKOA-OAQYLSRUSA-N 1 1 459.428 4.775 20 0 JJADMO COc1ccc(Cl)cc1C(C)(C)[NH2+]CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F ZINC001460287845 1067599339 /nfs/dbraw/zinc/59/93/39/1067599339.db2.gz RRXOIQIKSSUXHX-UHFFFAOYSA-N 1 1 457.880 4.789 20 0 JJADMO O=C(C[N@@H+](Cc1ccccc1)[C@@H](CO)C1CCC1)Nc1ccc(Br)cc1Cl ZINC001460297376 1067600875 /nfs/dbraw/zinc/60/08/75/1067600875.db2.gz WTJMPAVOEVXVHA-FQEVSTJZSA-N 1 1 451.792 4.704 20 0 JJADMO CCN(C(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1)[C@H](C)c1ccc(F)cc1 ZINC001460300143 1067601768 /nfs/dbraw/zinc/60/17/68/1067601768.db2.gz DBEGRIPLXIUOQI-VEXUSMLFSA-N 1 1 454.586 4.793 20 0 JJADMO CCN(C(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1)[C@@H](C)c1ccc(F)cc1 ZINC001460300147 1067601838 /nfs/dbraw/zinc/60/18/38/1067601838.db2.gz DBEGRIPLXIUOQI-WDJPJFJCSA-N 1 1 454.586 4.793 20 0 JJADMO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+]1[C@@H](C)[C@@H](C)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001460309921 1067605150 /nfs/dbraw/zinc/60/51/50/1067605150.db2.gz YQZVVGLJQVWOKL-VCOUNFBDSA-N 1 1 458.647 4.547 20 0 JJADMO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+]1[C@@H](C)[C@@H](C)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001460309921 1067605154 /nfs/dbraw/zinc/60/51/54/1067605154.db2.gz YQZVVGLJQVWOKL-VCOUNFBDSA-N 1 1 458.647 4.547 20 0 JJADMO CC(=O)N(c1nc(C[NH2+][C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)cs1)c1ccc(C)cc1 ZINC001460325059 1067608576 /nfs/dbraw/zinc/60/85/76/1067608576.db2.gz GHOSOULUBYUWME-UXHICEINSA-N 1 1 458.628 4.918 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCN([C@@H](C)c2ccccc2F)C1=O ZINC001460327153 1067608784 /nfs/dbraw/zinc/60/87/84/1067608784.db2.gz UKXXGIUDXWICOS-OCBXDECUSA-N 1 1 479.640 4.788 20 0 JJADMO Brc1ccc(OCCCCN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001460337500 1067610900 /nfs/dbraw/zinc/61/09/00/1067610900.db2.gz LMQILSDBFQWIOU-ZEQRLZLVSA-N 1 1 459.428 4.583 20 0 JJADMO Brc1ccc(OCCCCN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001460337497 1067610980 /nfs/dbraw/zinc/61/09/80/1067610980.db2.gz LMQILSDBFQWIOU-RPWUZVMVSA-N 1 1 459.428 4.583 20 0 JJADMO C[C@H]1CCC[N@@H+](Cc2cccc(C(=O)NCc3ccco3)c2)[C@H]1CCNC(=O)OC(C)(C)C ZINC001460340473 1067611503 /nfs/dbraw/zinc/61/15/03/1067611503.db2.gz TWHVFCUCLUAEJP-CVDCTZTESA-N 1 1 455.599 4.725 20 0 JJADMO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)[C@H]2CCCC[C@@H]12 ZINC001460360396 1067618307 /nfs/dbraw/zinc/61/83/07/1067618307.db2.gz ICRKKNLRRPEQHQ-ZVDOUQERSA-N 1 1 455.624 4.728 20 0 JJADMO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)[C@H]2CCCC[C@@H]12 ZINC001460360396 1067618310 /nfs/dbraw/zinc/61/83/10/1067618310.db2.gz ICRKKNLRRPEQHQ-ZVDOUQERSA-N 1 1 455.624 4.728 20 0 JJADMO Cc1cc(I)ccc1NC(=O)C[N@@H+](C)[C@H](C)CSc1ccccc1 ZINC001460370804 1067620495 /nfs/dbraw/zinc/62/04/95/1067620495.db2.gz YIPZTORDINKEGN-OAHLLOKOSA-N 1 1 454.377 4.651 20 0 JJADMO Cc1cc(I)ccc1NC(=O)C[N@H+](C)[C@H](C)CSc1ccccc1 ZINC001460370804 1067620504 /nfs/dbraw/zinc/62/05/04/1067620504.db2.gz YIPZTORDINKEGN-OAHLLOKOSA-N 1 1 454.377 4.651 20 0 JJADMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)c(OC)c1 ZINC001460373434 1067620895 /nfs/dbraw/zinc/62/08/95/1067620895.db2.gz PFDYVCLEODOYBV-QFIPXVFZSA-N 1 1 452.473 4.638 20 0 JJADMO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC001460403758 1067627579 /nfs/dbraw/zinc/62/75/79/1067627579.db2.gz GJDLSEPYPXLCEN-FCHUYYIVSA-N 1 1 478.614 4.628 20 0 JJADMO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC001460403758 1067627583 /nfs/dbraw/zinc/62/75/83/1067627583.db2.gz GJDLSEPYPXLCEN-FCHUYYIVSA-N 1 1 478.614 4.628 20 0 JJADMO CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[NH2+][C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC001460405330 1067628123 /nfs/dbraw/zinc/62/81/23/1067628123.db2.gz QWXLLQKXCVMVAT-JTSKRJEESA-N 1 1 452.576 4.948 20 0 JJADMO COc1ccc([C@H]([NH2+]CC(=O)NCCOc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC001460406426 1067628805 /nfs/dbraw/zinc/62/88/05/1067628805.db2.gz ULLZYSLSCAGBGS-XMMPIXPASA-N 1 1 458.480 4.588 20 0 JJADMO CCC1(CC)CN(c2nnc(-c3cccnc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCS1 ZINC001546116084 1067629693 /nfs/dbraw/zinc/62/96/93/1067629693.db2.gz GUFSAZYGYCUAKR-OYRHEFFESA-N 1 1 456.704 4.820 20 0 JJADMO C[C@@H]1C[N@H+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC001460459898 1067637962 /nfs/dbraw/zinc/63/79/62/1067637962.db2.gz QBRKNDRLBQDQJY-LJFZDNNRSA-N 1 1 454.636 4.522 20 0 JJADMO C[C@@H]1C[N@@H+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC001460459898 1067637969 /nfs/dbraw/zinc/63/79/69/1067637969.db2.gz QBRKNDRLBQDQJY-LJFZDNNRSA-N 1 1 454.636 4.522 20 0 JJADMO CC(C)(C)OC(=O)N1CCN(CC[N@@H+](Cc2ccc(Br)cc2)C(C)(C)C)CC1 ZINC001460483168 1067643203 /nfs/dbraw/zinc/64/32/03/1067643203.db2.gz RLNFAJMDOFJUDY-UHFFFAOYSA-N 1 1 454.453 4.602 20 0 JJADMO O=C(CC[N@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1)NCc1ccccc1Cl ZINC001460491066 1067644861 /nfs/dbraw/zinc/64/48/61/1067644861.db2.gz OVXLBLFUBHOFLI-GOSISDBHSA-N 1 1 453.833 4.975 20 0 JJADMO Cc1[nH+]cn(-c2ccc(NC(=O)c3cnn(-c4cccc(Br)c4)c3C)cc2)c1C ZINC001460533386 1067652266 /nfs/dbraw/zinc/65/22/66/1067652266.db2.gz LRXMUNQDBSCGQP-UHFFFAOYSA-N 1 1 450.340 4.998 20 0 JJADMO CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001460538511 1067653200 /nfs/dbraw/zinc/65/32/00/1067653200.db2.gz NIXSDIVLIZXMDG-QAPCUYQASA-N 1 1 452.348 4.615 20 0 JJADMO COc1ccc([C@H]2CC[N@H+]([C@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)C2)cc1F ZINC001460570471 1067658123 /nfs/dbraw/zinc/65/81/23/1067658123.db2.gz OUBUQMNZOGOGHV-RXVVDRJESA-N 1 1 450.476 4.834 20 0 JJADMO CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)C[N@@H+]1C[C@@H]2CCCC[C@@]21C ZINC001460569236 1067658206 /nfs/dbraw/zinc/65/82/06/1067658206.db2.gz RNEMJLYESCEWNG-DCFHFQCYSA-N 1 1 465.594 4.939 20 0 JJADMO CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)C[N@H+]1C[C@@H]2CCCC[C@@]21C ZINC001460569236 1067658210 /nfs/dbraw/zinc/65/82/10/1067658210.db2.gz RNEMJLYESCEWNG-DCFHFQCYSA-N 1 1 465.594 4.939 20 0 JJADMO C[NH+](C)C[C@H](NC[C@@H](O)COc1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC001460599027 1067666011 /nfs/dbraw/zinc/66/60/11/1067666011.db2.gz WTQULFHYPMIUHB-BEFAXECRSA-N 1 1 452.209 4.932 20 0 JJADMO O[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCOc1c(Br)cccc1Br ZINC001460606930 1067669765 /nfs/dbraw/zinc/66/97/65/1067669765.db2.gz IEGSTEWQFZMWSR-MSOLQXFVSA-N 1 1 455.190 4.788 20 0 JJADMO O[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCOc1c(Br)cccc1Br ZINC001460606930 1067669773 /nfs/dbraw/zinc/66/97/73/1067669773.db2.gz IEGSTEWQFZMWSR-MSOLQXFVSA-N 1 1 455.190 4.788 20 0 JJADMO COc1ccc(C([NH2+][C@H](C)C(=O)NCCc2c[nH]c3ccccc23)c2ccc(OC)cc2)cc1 ZINC001460611474 1067671299 /nfs/dbraw/zinc/67/12/99/1067671299.db2.gz SGSJWLQFZHGFOY-LJQANCHMSA-N 1 1 457.574 4.612 20 0 JJADMO COC(=O)CC[N@H+](CC(=O)Nc1nc(-c2ccccc2)c(C(C)C)s1)Cc1ccccc1 ZINC001460611364 1067671332 /nfs/dbraw/zinc/67/13/32/1067671332.db2.gz QCSIFHPBEKZOTR-UHFFFAOYSA-N 1 1 451.592 4.937 20 0 JJADMO COC(=O)CC[N@@H+](CC(=O)Nc1nc(-c2ccccc2)c(C(C)C)s1)Cc1ccccc1 ZINC001460611364 1067671335 /nfs/dbraw/zinc/67/13/35/1067671335.db2.gz QCSIFHPBEKZOTR-UHFFFAOYSA-N 1 1 451.592 4.937 20 0 JJADMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@]2(C)Cc2ccc(F)c(C(F)(F)F)c2)c(OC)c1 ZINC001460643721 1067683708 /nfs/dbraw/zinc/68/37/08/1067683708.db2.gz IBJGUMPNYOATIJ-QFIPXVFZSA-N 1 1 454.464 4.897 20 0 JJADMO CCC1(CC)CN(c2nnc(Cc3c(F)cccc3F)n2CCC[N@@H+](C)C(C)C)CCS1 ZINC001546117921 1067686200 /nfs/dbraw/zinc/68/62/00/1067686200.db2.gz SQQSILFRYJUYAH-UHFFFAOYSA-N 1 1 465.658 4.989 20 0 JJADMO COc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2Cc2cccc(Oc3ccccc3)c2)c1 ZINC001460660033 1067691996 /nfs/dbraw/zinc/69/19/96/1067691996.db2.gz MOQDPUGJTIXRDO-QFIPXVFZSA-N 1 1 451.588 4.968 20 0 JJADMO COc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2Cc2cccc(Oc3ccccc3)c2)c1 ZINC001460660033 1067692001 /nfs/dbraw/zinc/69/20/01/1067692001.db2.gz MOQDPUGJTIXRDO-QFIPXVFZSA-N 1 1 451.588 4.968 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H](CC[N@H+]2CCC[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)C1 ZINC001460664163 1067692487 /nfs/dbraw/zinc/69/24/87/1067692487.db2.gz GQYSEZGLZQAOII-NJYVYQBISA-N 1 1 451.652 4.745 20 0 JJADMO C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001460671828 1067694955 /nfs/dbraw/zinc/69/49/55/1067694955.db2.gz SKALHFVAQBISNS-ZJSXRUAMSA-N 1 1 458.046 4.552 20 0 JJADMO C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)Cc1cc(F)ccc1Oc1cccc(Cl)c1 ZINC001460688066 1067701891 /nfs/dbraw/zinc/70/18/91/1067701891.db2.gz QNDFFBPAVWVVRF-UHFFFAOYSA-N 1 1 455.917 4.831 20 0 JJADMO O=C(C[N@H+]1CCCC[C@H](C2CCOCC2)C1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC001460692893 1067703384 /nfs/dbraw/zinc/70/33/84/1067703384.db2.gz PJRWLSXXYXXPGY-FQEVSTJZSA-N 1 1 453.558 4.545 20 0 JJADMO Cc1ccc([C@@H]2CC[N@@H+](CC(=O)N3c4ccccc4NC(=O)C[C@H]3C(F)(F)F)C2(C)C)cc1 ZINC001460697455 1067703830 /nfs/dbraw/zinc/70/38/30/1067703830.db2.gz OZUKFHUQKZHWMT-RXVVDRJESA-N 1 1 459.512 4.869 20 0 JJADMO Cc1ccc(Oc2ccccc2NC(=O)C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1 ZINC001460698250 1067703935 /nfs/dbraw/zinc/70/39/35/1067703935.db2.gz UGHOKFDYVWHDSC-QPPBQGQZSA-N 1 1 458.480 4.850 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC001460713005 1067706736 /nfs/dbraw/zinc/70/67/36/1067706736.db2.gz ZISLAPAZQYFEFZ-NZQKXSOJSA-N 1 1 457.640 4.723 20 0 JJADMO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(Cc2csc(CC(=O)Nc3ccccc3)n2)CC1 ZINC001460725705 1067710260 /nfs/dbraw/zinc/71/02/60/1067710260.db2.gz CBEFTIQBDWIKLS-QHCPKHFHSA-N 1 1 452.599 4.732 20 0 JJADMO COc1ccc(NC(=O)CC[N@@H+]2[C@H](C(=O)OCc3ccccc3)C[C@@H]3CCC[C@@H]32)cc1Cl ZINC001460748324 1067715192 /nfs/dbraw/zinc/71/51/92/1067715192.db2.gz DEHBHDXOCCZEBX-NYVOZVTQSA-N 1 1 456.970 4.664 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)nc2)C1)C1CCCC1 ZINC001460750840 1067715465 /nfs/dbraw/zinc/71/54/65/1067715465.db2.gz WVLZGCRETKRQAV-REWPJTCUSA-N 1 1 453.631 4.953 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)nc2)C1)C1CCCC1 ZINC001460750837 1067715563 /nfs/dbraw/zinc/71/55/63/1067715563.db2.gz WVLZGCRETKRQAV-NZQKXSOJSA-N 1 1 453.631 4.953 20 0 JJADMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)C[C@H]1C1CC1 ZINC001460751736 1067716076 /nfs/dbraw/zinc/71/60/76/1067716076.db2.gz USQPJCLBWYCHAT-MRUHUIDDSA-N 1 1 458.824 4.610 20 0 JJADMO Cn1c2ccccc2cc(C[N@@H+](CCNC(=O)OC(C)(C)C)Cc2cccc(Cl)c2)c1=O ZINC001460759072 1067718047 /nfs/dbraw/zinc/71/80/47/1067718047.db2.gz IVVRPWZJRYFPCY-UHFFFAOYSA-N 1 1 455.986 4.719 20 0 JJADMO CC(C)(C)OC(=O)NCC[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC001460763259 1067718970 /nfs/dbraw/zinc/71/89/70/1067718970.db2.gz QFJIDTYOXJZBLD-OAQYLSRUSA-N 1 1 459.974 4.692 20 0 JJADMO CC(C)(C)OC(=O)NCC[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC001460763259 1067718976 /nfs/dbraw/zinc/71/89/76/1067718976.db2.gz QFJIDTYOXJZBLD-OAQYLSRUSA-N 1 1 459.974 4.692 20 0 JJADMO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460778770 1067721615 /nfs/dbraw/zinc/72/16/15/1067721615.db2.gz PIFJLGYSXBIXRR-OSPHWJPCSA-N 1 1 458.628 4.736 20 0 JJADMO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460778770 1067721619 /nfs/dbraw/zinc/72/16/19/1067721619.db2.gz PIFJLGYSXBIXRR-OSPHWJPCSA-N 1 1 458.628 4.736 20 0 JJADMO Cc1cc(Cl)c(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1Br ZINC001460780858 1067722548 /nfs/dbraw/zinc/72/25/48/1067722548.db2.gz DZICGSISHGPRER-JKSUJKDBSA-N 1 1 453.812 4.597 20 0 JJADMO COC[C@H]([NH2+]Cc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1)[C@@H]1CCCOC1 ZINC001460794138 1067724963 /nfs/dbraw/zinc/72/49/63/1067724963.db2.gz YRNYGVLWAGLQAO-KUHUBIRLSA-N 1 1 458.411 4.666 20 0 JJADMO CC(C)(C)OC(=O)N1CCCC[C@]12CC[N@@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C2 ZINC001460822400 1067729481 /nfs/dbraw/zinc/72/94/81/1067729481.db2.gz SXJWJNICGIKGSQ-XMSQKQJNSA-N 1 1 459.414 4.599 20 0 JJADMO OC[C@@H]([NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1)c1ccccc1C(F)(F)F ZINC001460826211 1067730347 /nfs/dbraw/zinc/73/03/47/1067730347.db2.gz ATRRUJLIHWBOKG-GOSISDBHSA-N 1 1 452.274 4.748 20 0 JJADMO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)cc2c1OCC2 ZINC001460827884 1067730428 /nfs/dbraw/zinc/73/04/28/1067730428.db2.gz RCQVTJPRVMHKTD-STQMWFEESA-N 1 1 450.988 4.753 20 0 JJADMO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[N@@H+]2CCC[C@@H]2c2ncc(Br)cn2)CC1 ZINC001460832941 1067731444 /nfs/dbraw/zinc/73/14/44/1067731444.db2.gz QMDJUAQUCXCZIY-JFIYKMOQSA-N 1 1 453.425 4.707 20 0 JJADMO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[N@H+]2CCC[C@@H]2c2ncc(Br)cn2)CC1 ZINC001460832941 1067731449 /nfs/dbraw/zinc/73/14/49/1067731449.db2.gz QMDJUAQUCXCZIY-JFIYKMOQSA-N 1 1 453.425 4.707 20 0 JJADMO CCC1(CC)CN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCS1 ZINC001546119527 1067733884 /nfs/dbraw/zinc/73/38/84/1067733884.db2.gz GGXGSWGTRBWCHW-HXUWFJFHSA-N 1 1 487.762 4.762 20 0 JJADMO Cc1cccc(NC(=O)C[NH+]2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)c1C ZINC001460862735 1067736731 /nfs/dbraw/zinc/73/67/31/1067736731.db2.gz HVOWRYYEBJDFGO-UHFFFAOYSA-N 1 1 451.611 4.800 20 0 JJADMO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@@H+]1CCOc2c(cccc2C(=O)OC)C1 ZINC001460863535 1067736810 /nfs/dbraw/zinc/73/68/10/1067736810.db2.gz FEQVVIRXLIZRDM-UHFFFAOYSA-N 1 1 458.986 4.865 20 0 JJADMO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@H+]1CCOc2c(cccc2C(=O)OC)C1 ZINC001460863535 1067736819 /nfs/dbraw/zinc/73/68/19/1067736819.db2.gz FEQVVIRXLIZRDM-UHFFFAOYSA-N 1 1 458.986 4.865 20 0 JJADMO CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@H+](CC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)C1 ZINC001460868234 1067738404 /nfs/dbraw/zinc/73/84/04/1067738404.db2.gz DLOBGCNZJGVSAC-AREMUKBSSA-N 1 1 454.615 4.570 20 0 JJADMO CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@@H+](CC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)C1 ZINC001460868234 1067738412 /nfs/dbraw/zinc/73/84/12/1067738412.db2.gz DLOBGCNZJGVSAC-AREMUKBSSA-N 1 1 454.615 4.570 20 0 JJADMO C[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001460878918 1067740846 /nfs/dbraw/zinc/74/08/46/1067740846.db2.gz HQQJGBBCZMEFGO-SPYBWZPUSA-N 1 1 456.414 4.581 20 0 JJADMO C[C@@H](NC(=O)[C@@H](C)[N@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1)c1ccc2ccccc2c1 ZINC001460889573 1067743891 /nfs/dbraw/zinc/74/38/91/1067743891.db2.gz SZTUEISYUOOTHT-XUFREYRYSA-N 1 1 451.611 4.594 20 0 JJADMO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC001460889085 1067743965 /nfs/dbraw/zinc/74/39/65/1067743965.db2.gz KDNWVYRBMDISRF-QVKFZJNVSA-N 1 1 451.792 4.722 20 0 JJADMO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC001460889085 1067743970 /nfs/dbraw/zinc/74/39/70/1067743970.db2.gz KDNWVYRBMDISRF-QVKFZJNVSA-N 1 1 451.792 4.722 20 0 JJADMO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001460889358 1067744021 /nfs/dbraw/zinc/74/40/21/1067744021.db2.gz KXUOFTWDUTXFJN-CVEARBPZSA-N 1 1 451.792 4.603 20 0 JJADMO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001460889358 1067744027 /nfs/dbraw/zinc/74/40/27/1067744027.db2.gz KXUOFTWDUTXFJN-CVEARBPZSA-N 1 1 451.792 4.603 20 0 JJADMO C[C@H]1CN(C(=O)c2ccc(Br)c(OC(F)(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC001460892317 1067744821 /nfs/dbraw/zinc/74/48/21/1067744821.db2.gz VBSZMTYBVLDZCQ-AWEZNQCLSA-N 1 1 457.290 4.694 20 0 JJADMO C[C@H]1CN(C(=O)c2ccc(Br)c(OC(F)(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC001460892317 1067744825 /nfs/dbraw/zinc/74/48/25/1067744825.db2.gz VBSZMTYBVLDZCQ-AWEZNQCLSA-N 1 1 457.290 4.694 20 0 JJADMO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@]34CCN(C(=O)OC(C)(C)C)C4)cs2)cc1 ZINC001460915956 1067747800 /nfs/dbraw/zinc/74/78/00/1067747800.db2.gz HBNLEDIKFHORQR-XMMPIXPASA-N 1 1 457.596 4.572 20 0 JJADMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@]34CCN(C(=O)OC(C)(C)C)C4)cs2)cc1 ZINC001460915956 1067747806 /nfs/dbraw/zinc/74/78/06/1067747806.db2.gz HBNLEDIKFHORQR-XMMPIXPASA-N 1 1 457.596 4.572 20 0 JJADMO CCOc1ccc([C@H]2CCCN2C(=O)C[NH+]2CCC(C(=O)c3ccccc3Cl)CC2)cc1 ZINC001460921778 1067748803 /nfs/dbraw/zinc/74/88/03/1067748803.db2.gz UJMTURCLRNEDLO-XMMPIXPASA-N 1 1 454.998 4.997 20 0 JJADMO CC(C)(C)OC(=O)NC[C@]12C[N@@H+](CC3CCN(C(=O)OC(C)(C)C)CC3)C[C@H]1CCCC2 ZINC001460978766 1067755587 /nfs/dbraw/zinc/75/55/87/1067755587.db2.gz VNWPFBSNMWDKGM-CJFMBICVSA-N 1 1 451.652 4.650 20 0 JJADMO COC(=O)C=Cc1ccc(OCC[N@H+]2CCc3cccc(NC(=O)OC(C)(C)C)c3C2)cc1 ZINC001460983365 1067756753 /nfs/dbraw/zinc/75/67/53/1067756753.db2.gz ZPLAPEZUOCRICF-JLHYYAGUSA-N 1 1 452.551 4.657 20 0 JJADMO CCCC(=O)Nc1cccc(C[NH2+]Cc2ccc(N3CCC[C@H](C(=O)OC(C)(C)C)C3)o2)c1 ZINC001461051305 1067769855 /nfs/dbraw/zinc/76/98/55/1067769855.db2.gz QAODMPSJBXQZBL-FQEVSTJZSA-N 1 1 455.599 4.866 20 0 JJADMO COc1ccc(Cn2cc(C[NH2+][C@@H](C)c3ccc(NC(=O)c4ccc(F)cc4)cc3)nn2)cc1 ZINC001461087252 1067779614 /nfs/dbraw/zinc/77/96/14/1067779614.db2.gz QWOSNOPFRPICDC-SFHVURJKSA-N 1 1 459.525 4.577 20 0 JJADMO CC(C)N(C(=O)CCCc1nc(-c2ccc(F)cc2)no1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001461115350 1067784592 /nfs/dbraw/zinc/78/45/92/1067784592.db2.gz OKDGYVIGNGIAQJ-QHCPKHFHSA-N 1 1 450.558 4.710 20 0 JJADMO CCOc1c(Br)cc(C[NH2+]Cc2nc3ccccc3n2C)cc1Br ZINC001461154639 1067790351 /nfs/dbraw/zinc/79/03/51/1067790351.db2.gz DFFQPXJMPKOAMN-UHFFFAOYSA-N 1 1 453.178 4.787 20 0 JJADMO O=S(=O)(CCC[NH2+]Cc1csc(-c2cccc(Br)c2)n1)c1ccccc1 ZINC001461165361 1067791733 /nfs/dbraw/zinc/79/17/33/1067791733.db2.gz GYGWEDKNCBJBHI-UHFFFAOYSA-N 1 1 451.411 4.526 20 0 JJADMO O=C1[C@@H]([NH2+]Cc2cc(Br)ccc2Cl)CCCN1c1ccc(OC(F)F)cc1 ZINC001461209526 1067799644 /nfs/dbraw/zinc/79/96/44/1067799644.db2.gz MHUXOMMAMVDBTO-KRWDZBQOSA-N 1 1 459.718 4.989 20 0 JJADMO CCc1ccc([C@H]([NH2+]Cc2ccc(-c3cnn(C)c3)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461251235 1067809764 /nfs/dbraw/zinc/80/97/64/1067809764.db2.gz DWBUFXCYXUQWCO-MHZLTWQESA-N 1 1 459.615 4.932 20 0 JJADMO COc1ccc([C@H]([NH2+]Cc2cc(C)nc3c2CCCC3)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461252305 1067810402 /nfs/dbraw/zinc/81/04/02/1067810402.db2.gz CDKZIMZAXQDSND-SANMLTNESA-N 1 1 450.604 4.560 20 0 JJADMO Cc1ccc([C@@H]([NH2+]Cc2ccc3c(c2)OCCCCO3)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461257172 1067812078 /nfs/dbraw/zinc/81/20/78/1067812078.db2.gz WKJHDOCELLGLBR-AREMUKBSSA-N 1 1 451.588 4.829 20 0 JJADMO C[C@@H]1C[C@H](NCc2c(F)ccc(I)c2F)CC[N@H+]1Cc1ccccc1 ZINC001461262401 1067813424 /nfs/dbraw/zinc/81/34/24/1067813424.db2.gz GZUUZYHNIHAHJJ-GDBMZVCRSA-N 1 1 456.318 4.712 20 0 JJADMO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(OCCC[NH+]3CCN(C)CC3)cc2)c1 ZINC001461337029 1067832455 /nfs/dbraw/zinc/83/24/55/1067832455.db2.gz VDKKASAVAVNEFP-QFIPXVFZSA-N 1 1 453.627 4.541 20 0 JJADMO CC[N@@H+](CCC1CCN(C(=O)c2cccc(C)c2I)CC1)CC(C)C ZINC001546124584 1067863128 /nfs/dbraw/zinc/86/31/28/1067863128.db2.gz AHURWHPIGQVARK-UHFFFAOYSA-N 1 1 456.412 4.820 20 0 JJADMO CC(=O)N(c1nc(CNC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cs1)c1ccc(F)cc1 ZINC001461469277 1067865296 /nfs/dbraw/zinc/86/52/96/1067865296.db2.gz BGJDBFYYGATYAI-VWLOTQADSA-N 1 1 452.599 4.969 20 0 JJADMO CCc1ccccc1[C@H](C[NH2+]Cc1c(F)cncc1Br)NC(=O)OC(C)(C)C ZINC001461548944 1067886344 /nfs/dbraw/zinc/88/63/44/1067886344.db2.gz JFWVXGSZLKZXRB-IBGZPJMESA-N 1 1 452.368 4.901 20 0 JJADMO CN(C(=O)c1ccc(NCc2c(Cl)n(C)nc2-c2ccccc2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001461567074 1067890364 /nfs/dbraw/zinc/89/03/64/1067890364.db2.gz YYDNPSVYEXFZOW-OAQYLSRUSA-N 1 1 452.002 4.519 20 0 JJADMO Cc1ccc(O[C@H](C)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C(C)C)C2)c(Br)c1 ZINC001461593349 1067896608 /nfs/dbraw/zinc/89/66/08/1067896608.db2.gz AHGXZHKOMQEPHU-DENIHFKCSA-N 1 1 459.428 4.894 20 0 JJADMO CC(C)(C)OC(=O)N1C[C@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)Cc2ccccc21 ZINC001461617485 1067902623 /nfs/dbraw/zinc/90/26/23/1067902623.db2.gz PITWAFDIMOZZGD-XMMPIXPASA-N 1 1 453.602 4.789 20 0 JJADMO COc1cc(C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3F)c2C)c(Br)cc1O ZINC001461622464 1067903668 /nfs/dbraw/zinc/90/36/68/1067903668.db2.gz FLNWCIZFKFYNDW-UHFFFAOYSA-N 1 1 452.299 4.534 20 0 JJADMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2c(C)onc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC001461677361 1067916485 /nfs/dbraw/zinc/91/64/85/1067916485.db2.gz LEVUTIHTNZCQOL-LJQANCHMSA-N 1 1 459.468 4.682 20 0 JJADMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2c(C)onc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC001461677361 1067916491 /nfs/dbraw/zinc/91/64/91/1067916491.db2.gz LEVUTIHTNZCQOL-LJQANCHMSA-N 1 1 459.468 4.682 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC001461783089 1067936549 /nfs/dbraw/zinc/93/65/49/1067936549.db2.gz HCQXBHAAPKLWEC-YLJYHZDGSA-N 1 1 458.356 4.871 20 0 JJADMO OC[C@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)c1ccccc1I ZINC001461812284 1067940840 /nfs/dbraw/zinc/94/08/40/1067940840.db2.gz QMTMDMXMGZNJGP-QFIPXVFZSA-N 1 1 459.327 4.693 20 0 JJADMO Cc1cc(OCC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)ccc1Br ZINC001461855968 1067948096 /nfs/dbraw/zinc/94/80/96/1067948096.db2.gz LVSZXBJHJNGUKU-FQEVSTJZSA-N 1 1 457.412 4.555 20 0 JJADMO CC(=O)Nc1ccc(S[C@@H](C)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC001461856385 1067948519 /nfs/dbraw/zinc/94/85/19/1067948519.db2.gz OAYVHXFNACFGHJ-UGKGYDQZSA-N 1 1 451.636 4.544 20 0 JJADMO CC(=O)Nc1ccc(S[C@H](C)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC001461856378 1067948607 /nfs/dbraw/zinc/94/86/07/1067948607.db2.gz OAYVHXFNACFGHJ-DENIHFKCSA-N 1 1 451.636 4.544 20 0 JJADMO COC(=O)c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1Br ZINC001461862066 1067949318 /nfs/dbraw/zinc/94/93/18/1067949318.db2.gz MYBXGDWYZADHOC-NZQKXSOJSA-N 1 1 457.412 4.722 20 0 JJADMO CCOC(=O)c1nn(-c2ccccc2)cc1C[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC001461874045 1067952147 /nfs/dbraw/zinc/95/21/47/1067952147.db2.gz LFDMVPDKMLBDEB-VXKWHMMOSA-N 1 1 453.608 4.979 20 0 JJADMO COC(=O)c1ccc(C[N@H+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c(Br)c1 ZINC001461890017 1067955398 /nfs/dbraw/zinc/95/53/98/1067955398.db2.gz UGEZLJYULZKZRA-GOSISDBHSA-N 1 1 457.409 4.607 20 0 JJADMO COC(=O)c1ccc(C[N@@H+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c(Br)c1 ZINC001461890017 1067955400 /nfs/dbraw/zinc/95/54/00/1067955400.db2.gz UGEZLJYULZKZRA-GOSISDBHSA-N 1 1 457.409 4.607 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@](C)(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001461894313 1067956190 /nfs/dbraw/zinc/95/61/90/1067956190.db2.gz CUVMJVUPNXKWTN-DEOSSOPVSA-N 1 1 450.023 4.525 20 0 JJADMO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC001461902891 1067958515 /nfs/dbraw/zinc/95/85/15/1067958515.db2.gz XZJCCMCLTCAVRS-JLTOFOAXSA-N 1 1 451.350 4.537 20 0 JJADMO COC(=O)[C@@H](C)Oc1ccc(C[N@H+]2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC001461902891 1067958522 /nfs/dbraw/zinc/95/85/22/1067958522.db2.gz XZJCCMCLTCAVRS-JLTOFOAXSA-N 1 1 451.350 4.537 20 0 JJADMO FC(F)(F)c1cc(Br)ccc1N1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC001461910517 1067959650 /nfs/dbraw/zinc/95/96/50/1067959650.db2.gz NPKQJOQOFFDPDK-UHFFFAOYSA-N 1 1 455.278 4.773 20 0 JJADMO Cc1nn(-c2cccc(Br)c2)cc1CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001461915914 1067960738 /nfs/dbraw/zinc/96/07/38/1067960738.db2.gz VHYPLTPMKFUCEZ-TWGQIWQCSA-N 1 1 451.412 4.774 20 0 JJADMO Cn1cc(C[N@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c(-c2cc(F)ccc2F)n1 ZINC001461956481 1067968730 /nfs/dbraw/zinc/96/87/30/1067968730.db2.gz CVRSLOAQUODSFM-MRXNPFEDSA-N 1 1 457.500 4.538 20 0 JJADMO Cn1cc(C[N@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)c(-c2cc(F)ccc2F)n1 ZINC001461956475 1067968924 /nfs/dbraw/zinc/96/89/24/1067968924.db2.gz CVRSLOAQUODSFM-INIZCTEOSA-N 1 1 457.500 4.538 20 0 JJADMO CCOc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc(Br)c1O ZINC001461962026 1067969775 /nfs/dbraw/zinc/96/97/75/1067969775.db2.gz OUMGLCKGYZIIJV-ZBFHGGJFSA-N 1 1 457.409 4.679 20 0 JJADMO CCOc1cc(C[N@H+]2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc(Br)c1O ZINC001461962026 1067969785 /nfs/dbraw/zinc/96/97/85/1067969785.db2.gz OUMGLCKGYZIIJV-ZBFHGGJFSA-N 1 1 457.409 4.679 20 0 JJADMO CCOC(=O)N1CCC(C)(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)CC1 ZINC001461997921 1067977533 /nfs/dbraw/zinc/97/75/33/1067977533.db2.gz FFTSIAOWTDYMHT-VWLOTQADSA-N 1 1 452.595 4.910 20 0 JJADMO C[C@@H](C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)C1CCCCC1 ZINC001462021555 1067982799 /nfs/dbraw/zinc/98/27/99/1067982799.db2.gz YVFDZJKRTRBROK-HNNXBMFYSA-N 1 1 452.970 4.882 20 0 JJADMO C[C@@H]1CCC[C@@H]([N@@H+](Cc2cc(C(=O)OC(C)(C)C)nn2C)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC001462033324 1067984920 /nfs/dbraw/zinc/98/49/20/1067984920.db2.gz MEVCQDZGHRXABV-KGVIQGDOSA-N 1 1 455.599 4.931 20 0 JJADMO C[N@H+](Cc1ccc(Br)cc1SCCS(C)(=O)=O)[C@H]1CCc2ccccc21 ZINC001462037929 1067986609 /nfs/dbraw/zinc/98/66/09/1067986609.db2.gz AQULGQVHAVANAV-IBGZPJMESA-N 1 1 454.455 4.705 20 0 JJADMO C[N@@H+](Cc1ccc(Br)cc1SCCS(C)(=O)=O)[C@H]1CCc2ccccc21 ZINC001462037929 1067986614 /nfs/dbraw/zinc/98/66/14/1067986614.db2.gz AQULGQVHAVANAV-IBGZPJMESA-N 1 1 454.455 4.705 20 0 JJADMO CC(=O)N(c1nc(CN[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cs1)c1ccc(F)cc1F ZINC001462045781 1067988918 /nfs/dbraw/zinc/98/89/18/1067988918.db2.gz FICHXWBQXNDRFA-ZHRRBRCNSA-N 1 1 456.562 4.716 20 0 JJADMO CC(C)(C)OC(=O)NCC[N@H+](CCO)Cc1cc(F)ccc1Oc1ccc(F)cc1Cl ZINC001462052022 1067991201 /nfs/dbraw/zinc/99/12/01/1067991201.db2.gz OBHBBUGNZIHWJO-UHFFFAOYSA-N 1 1 456.917 4.730 20 0 JJADMO CC(C)(C)OC(=O)NCC[N@@H+](CCO)Cc1cc(F)ccc1Oc1ccc(F)cc1Cl ZINC001462052022 1067991207 /nfs/dbraw/zinc/99/12/07/1067991207.db2.gz OBHBBUGNZIHWJO-UHFFFAOYSA-N 1 1 456.917 4.730 20 0 JJADMO CCO[C@@H]1C[C@H]([NH2+]Cc2c(Br)cc(F)c(F)c2N2CCCCC2)[C@]12CCCO2 ZINC001462061534 1067993935 /nfs/dbraw/zinc/99/39/35/1067993935.db2.gz GWPAUJBVONKLKA-WAOWUJCRSA-N 1 1 459.375 4.534 20 0 JJADMO C[N@H+](Cc1c[nH]nc1-c1ccsc1)Cc1cccc(Br)c1OCC(C)(C)O ZINC001462101468 1068002353 /nfs/dbraw/zinc/00/23/53/1068002353.db2.gz CZVPGKBIXHQPGJ-UHFFFAOYSA-N 1 1 450.402 4.682 20 0 JJADMO C[N@@H+](Cc1c[nH]nc1-c1ccsc1)Cc1cccc(Br)c1OCC(C)(C)O ZINC001462101468 1068002369 /nfs/dbraw/zinc/00/23/69/1068002369.db2.gz CZVPGKBIXHQPGJ-UHFFFAOYSA-N 1 1 450.402 4.682 20 0 JJADMO CCOC(=O)c1cnn2cc(C[N@@H+](C)C[C@@H](CC)Oc3ccc(Cl)c(Cl)c3)cnc12 ZINC001462106312 1068004260 /nfs/dbraw/zinc/00/42/60/1068004260.db2.gz VMFVMQXLZFJBSN-OAHLLOKOSA-N 1 1 451.354 4.502 20 0 JJADMO Cc1ccc(-c2noc(CCC(=O)N[C@@H]3CCCCC[N@@H+](Cc4ccccc4)C3)n2)cc1F ZINC001462109253 1068005941 /nfs/dbraw/zinc/00/59/41/1068005941.db2.gz BNQNSEWDTWQPDS-JOCHJYFZSA-N 1 1 450.558 4.678 20 0 JJADMO COC(=O)c1ccc(-c2ccc(C[NH2+][C@H]3CCN(c4ccccc4C(F)(F)F)C3=O)o2)cc1 ZINC001462110563 1068006283 /nfs/dbraw/zinc/00/62/83/1068006283.db2.gz HYNFIJFZMLBWBW-IBGZPJMESA-N 1 1 458.436 4.647 20 0 JJADMO CSc1ncc(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)n1-c1ccc(F)cc1 ZINC001462109919 1068006338 /nfs/dbraw/zinc/00/63/38/1068006338.db2.gz CPOWEWBQJPBVMQ-OAQYLSRUSA-N 1 1 452.599 4.908 20 0 JJADMO Cc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)nn1-c1ccc(Cl)cc1Cl ZINC001462118874 1068008418 /nfs/dbraw/zinc/00/84/18/1068008418.db2.gz IWESXXLJVKKLJE-VQIMIIECSA-N 1 1 457.405 4.985 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CN(Cc1ccco1)c1cccc(Cl)c1 ZINC001462122583 1068009650 /nfs/dbraw/zinc/00/96/50/1068009650.db2.gz NBABADORLDGUJY-IFMALSPDSA-N 1 1 451.998 4.824 20 0 JJADMO Cc1ccccc1-n1ncc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1C(F)(F)F ZINC001462132937 1068012404 /nfs/dbraw/zinc/01/24/04/1068012404.db2.gz ZASLLQHCBZHDQL-UYAOXDASSA-N 1 1 456.512 4.697 20 0 JJADMO CC(C)[N@@H+](Cc1cc(Br)ccc1Br)C[C@H](O)COc1ccccc1 ZINC001462152347 1068017342 /nfs/dbraw/zinc/01/73/42/1068017342.db2.gz APKQUXMUVNCCMC-KRWDZBQOSA-N 1 1 457.206 4.862 20 0 JJADMO CC(C)[N@H+](Cc1cc(Br)ccc1Br)C[C@H](O)COc1ccccc1 ZINC001462152347 1068017354 /nfs/dbraw/zinc/01/73/54/1068017354.db2.gz APKQUXMUVNCCMC-KRWDZBQOSA-N 1 1 457.206 4.862 20 0 JJADMO Cc1cc(Br)cn2c(C[N@@H+]3CCC[C@H](CCNC(=O)OC(C)(C)C)C3)cnc12 ZINC001462155395 1068018426 /nfs/dbraw/zinc/01/84/26/1068018426.db2.gz ZZZMPJIRXNBNND-MRXNPFEDSA-N 1 1 451.409 4.532 20 0 JJADMO Cc1cc(Br)cn2c(C[N@H+]3CCC[C@H](CCNC(=O)OC(C)(C)C)C3)cnc12 ZINC001462155395 1068018444 /nfs/dbraw/zinc/01/84/44/1068018444.db2.gz ZZZMPJIRXNBNND-MRXNPFEDSA-N 1 1 451.409 4.532 20 0 JJADMO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3ccc(Cl)cc3Oc3cc(Cl)ccc3Cl)C2)N1 ZINC001462174388 1068021952 /nfs/dbraw/zinc/02/19/52/1068021952.db2.gz GNHJBYBEVDHBNN-HXUWFJFHSA-N 1 1 454.741 4.613 20 0 JJADMO O=C1NC(=O)[C@]2(CCC[N@H+](Cc3ccc(Cl)cc3Oc3cc(Cl)ccc3Cl)C2)N1 ZINC001462174388 1068021965 /nfs/dbraw/zinc/02/19/65/1068021965.db2.gz GNHJBYBEVDHBNN-HXUWFJFHSA-N 1 1 454.741 4.613 20 0 JJADMO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1 ZINC001462178862 1068022800 /nfs/dbraw/zinc/02/28/00/1068022800.db2.gz GAYUELNPAITMEE-PMACEKPBSA-N 1 1 457.590 4.688 20 0 JJADMO C[C@H]1CN(c2ccccc2F)CC[N@H+]1Cc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1 ZINC001462178862 1068022816 /nfs/dbraw/zinc/02/28/16/1068022816.db2.gz GAYUELNPAITMEE-PMACEKPBSA-N 1 1 457.590 4.688 20 0 JJADMO Ic1cccc(C[N@@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC001462201217 1068028060 /nfs/dbraw/zinc/02/80/60/1068028060.db2.gz VKLWWRRRNNCPHW-KRWDZBQOSA-N 1 1 450.368 4.837 20 0 JJADMO Ic1cccc(C[N@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC001462201217 1068028075 /nfs/dbraw/zinc/02/80/75/1068028075.db2.gz VKLWWRRRNNCPHW-KRWDZBQOSA-N 1 1 450.368 4.837 20 0 JJADMO Fc1ccc(I)c(F)c1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC001462225399 1068032406 /nfs/dbraw/zinc/03/24/06/1068032406.db2.gz MDAJCGVLMLCVJU-SIXWZSSISA-N 1 1 455.286 4.574 20 0 JJADMO Fc1ccc(I)c(F)c1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC001462225399 1068032418 /nfs/dbraw/zinc/03/24/18/1068032418.db2.gz MDAJCGVLMLCVJU-SIXWZSSISA-N 1 1 455.286 4.574 20 0 JJADMO Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)c2cccc3cccc(Br)c32)C1 ZINC001462257907 1068039355 /nfs/dbraw/zinc/03/93/55/1068039355.db2.gz HPUFRZQSYAWHID-HXUWFJFHSA-N 1 1 453.380 4.542 20 0 JJADMO Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)c2cccc3cccc(Br)c32)C1 ZINC001462257907 1068039370 /nfs/dbraw/zinc/03/93/70/1068039370.db2.gz HPUFRZQSYAWHID-HXUWFJFHSA-N 1 1 453.380 4.542 20 0 JJADMO Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)C1 ZINC001462258707 1068040319 /nfs/dbraw/zinc/04/03/19/1068040319.db2.gz JVDYVEMIMITFPG-LJQANCHMSA-N 1 1 458.480 4.905 20 0 JJADMO Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)C1 ZINC001462258707 1068040332 /nfs/dbraw/zinc/04/03/32/1068040332.db2.gz JVDYVEMIMITFPG-LJQANCHMSA-N 1 1 458.480 4.905 20 0 JJADMO COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c(OCc2cccnc2)c1 ZINC001462294335 1068046051 /nfs/dbraw/zinc/04/60/51/1068046051.db2.gz KJIMDJWBRHRFLS-REWPJTCUSA-N 1 1 453.583 4.501 20 0 JJADMO CC(C)(C)OC(=O)NCc1cn([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccc(F)cc4)o3)C2)nn1 ZINC001462311216 1068048657 /nfs/dbraw/zinc/04/86/57/1068048657.db2.gz DMPPQWIOLZSLGC-HXUWFJFHSA-N 1 1 455.534 4.539 20 0 JJADMO C[C@H]1CC[N@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001462314951 1068049866 /nfs/dbraw/zinc/04/98/66/1068049866.db2.gz PVFXWTCHSGZORQ-LSDHHAIUSA-N 1 1 454.402 4.557 20 0 JJADMO C[C@H]1CC[N@@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001462314951 1068049880 /nfs/dbraw/zinc/04/98/80/1068049880.db2.gz PVFXWTCHSGZORQ-LSDHHAIUSA-N 1 1 454.402 4.557 20 0 JJADMO CCC1(Cn2c(-c3ccc(Br)cc3)nnc2N2CCC[N@H+](C(C)C)CC2)CCOCC1 ZINC001546130880 1068053196 /nfs/dbraw/zinc/05/31/96/1068053196.db2.gz HNPXVXJXGMKEFN-UHFFFAOYSA-N 1 1 490.490 4.835 20 0 JJADMO Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001462335241 1068053707 /nfs/dbraw/zinc/05/37/07/1068053707.db2.gz DQZHBKCJCZFNAM-BJKOFHAPSA-N 1 1 468.548 4.952 20 0 JJADMO Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001462335241 1068053715 /nfs/dbraw/zinc/05/37/15/1068053715.db2.gz DQZHBKCJCZFNAM-BJKOFHAPSA-N 1 1 468.548 4.952 20 0 JJADMO COc1ccc([C@@H](O)C[N@@H+](Cc2ccc3c(c2)CCC(=O)N3C)[C@H](C)Cc2ccccc2)cc1 ZINC001462339009 1068053986 /nfs/dbraw/zinc/05/39/86/1068053986.db2.gz FIONXWVJCRTPGM-PIKZIKFNSA-N 1 1 458.602 4.771 20 0 JJADMO Cc1ccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)c(-c2cnn(C)c2)c1 ZINC001462422933 1068071369 /nfs/dbraw/zinc/07/13/69/1068071369.db2.gz AWUSQYVKEPJXHM-GMAHTHKFSA-N 1 1 474.502 4.571 20 0 JJADMO Cc1ccc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)c(-c2cnn(C)c2)c1 ZINC001462422933 1068071382 /nfs/dbraw/zinc/07/13/82/1068071382.db2.gz AWUSQYVKEPJXHM-GMAHTHKFSA-N 1 1 474.502 4.571 20 0 JJADMO COC(=O)c1ccc(COc2ccccc2C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC001462436995 1068074038 /nfs/dbraw/zinc/07/40/38/1068074038.db2.gz ITDZTXNCUUSHNX-AUSIDOKSSA-N 1 1 453.579 4.852 20 0 JJADMO C[C@H]1C[N@@H+](Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)CC[C@H]1C(=O)OC(C)(C)C ZINC001462442335 1068075326 /nfs/dbraw/zinc/07/53/26/1068075326.db2.gz QROFWFJITDBHMD-QFBILLFUSA-N 1 1 450.645 4.841 20 0 JJADMO O=C(N1CCC[C@H](C2CC[NH+](Cc3cccc(Br)c3F)CC2)C1)C(F)(F)F ZINC001462443722 1068075607 /nfs/dbraw/zinc/07/56/07/1068075607.db2.gz UIGJDDDQSJLUMH-AWEZNQCLSA-N 1 1 451.302 4.601 20 0 JJADMO CCOC(=O)COc1ccc(C[N@H+]2Cc3cnn(-c4ccccc4F)c3CC(C)(C)C2)cc1 ZINC001462466980 1068080507 /nfs/dbraw/zinc/08/05/07/1068080507.db2.gz LGJMBVQOZFZGTK-UHFFFAOYSA-N 1 1 451.542 4.538 20 0 JJADMO CN(C)C(=O)NCCc1ccc(N[C@@H]2CC[N@H+](C)[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC001462490900 1068084189 /nfs/dbraw/zinc/08/41/89/1068084189.db2.gz KGXSPIQAKCEEKW-FGZHOGPDSA-N 1 1 459.432 4.510 20 0 JJADMO CN(C)C(=O)NCCc1ccc(N[C@@H]2CC[N@@H+](C)[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC001462490900 1068084205 /nfs/dbraw/zinc/08/42/05/1068084205.db2.gz KGXSPIQAKCEEKW-FGZHOGPDSA-N 1 1 459.432 4.510 20 0 JJADMO Cn1nc(C(F)(F)F)c(C[NH2+]Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c1Cl ZINC001462491755 1068084411 /nfs/dbraw/zinc/08/44/11/1068084411.db2.gz FCZXWUPEJLZMHZ-UHFFFAOYSA-N 1 1 458.912 4.675 20 0 JJADMO COc1ccc([C@@H]2C[N@H+](Cc3nc4c(s3)C[C@H](C)CC4)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001462517277 1068089416 /nfs/dbraw/zinc/08/94/16/1068089416.db2.gz GHVWTKSVAJPXID-LKUPVBHCSA-N 1 1 457.640 4.769 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3nc4c(s3)C[C@H](C)CC4)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001462517277 1068089431 /nfs/dbraw/zinc/08/94/31/1068089431.db2.gz GHVWTKSVAJPXID-LKUPVBHCSA-N 1 1 457.640 4.769 20 0 JJADMO Cc1ccc(C[N@@H+]2CC[C@H](NCc3ccc(N4CCC(C(=O)OC(C)(C)C)CC4)o3)C2)cc1 ZINC001462524035 1068091185 /nfs/dbraw/zinc/09/11/85/1068091185.db2.gz RISJHILSOBSSNW-QHCPKHFHSA-N 1 1 453.627 4.510 20 0 JJADMO Cc1ccc(C[N@H+]2CC[C@H](NCc3ccc(N4CCC(C(=O)OC(C)(C)C)CC4)o3)C2)cc1 ZINC001462524035 1068091200 /nfs/dbraw/zinc/09/12/00/1068091200.db2.gz RISJHILSOBSSNW-QHCPKHFHSA-N 1 1 453.627 4.510 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(Cc3sccc3NC(=O)OC(C)(C)C)C2)O1 ZINC001462538700 1068094215 /nfs/dbraw/zinc/09/42/15/1068094215.db2.gz ZBLIVUITMOUREA-UQBPGWFLSA-N 1 1 457.640 4.961 20 0 JJADMO C[C@H]1CN(Cc2ccccc2)C[C@]2(CC[N@H+](Cc3sccc3NC(=O)OC(C)(C)C)C2)O1 ZINC001462538700 1068094228 /nfs/dbraw/zinc/09/42/28/1068094228.db2.gz ZBLIVUITMOUREA-UQBPGWFLSA-N 1 1 457.640 4.961 20 0 JJADMO C[C@H]1CN(Cc2ccccc2)C[C@]2(CC[N@@H+](Cc3sccc3NC(=O)OC(C)(C)C)C2)O1 ZINC001462538700 1068094231 /nfs/dbraw/zinc/09/42/31/1068094231.db2.gz ZBLIVUITMOUREA-UQBPGWFLSA-N 1 1 457.640 4.961 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(Cc3c(F)cc(Br)cc3F)C2)O1 ZINC001462538833 1068094396 /nfs/dbraw/zinc/09/43/96/1068094396.db2.gz ZQHQCHNENIWWKR-AOMKIAJQSA-N 1 1 451.355 4.593 20 0 JJADMO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3cc4c(C)nn(C(C)(C)C)c4nc3Cl)C2)cc1C ZINC001462550129 1068096476 /nfs/dbraw/zinc/09/64/76/1068096476.db2.gz UXVPXEFDGLWBNA-GOSISDBHSA-N 1 1 455.990 4.748 20 0 JJADMO COc1ccc(NC(=O)C[C@H](C)[N@H+]2CCOc3ccc(NC(=O)OC(C)(C)C)cc3C2)cc1 ZINC001462550340 1068096816 /nfs/dbraw/zinc/09/68/16/1068096816.db2.gz ZNXNBTUGYLHNJQ-KRWDZBQOSA-N 1 1 455.555 4.654 20 0 JJADMO Cc1ccc(C2=NO[C@H](C[NH2+]Cc3cc(Cl)ccc3I)C2)cc1C ZINC001462557831 1068098098 /nfs/dbraw/zinc/09/80/98/1068098098.db2.gz WJVTVKNPXPCMOX-KRWDZBQOSA-N 1 1 454.739 4.844 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCC[N@H+]([C@H]2CCC3(C[C@H]2F)OCCO3)C1)C1CCCC1 ZINC001462561482 1068098710 /nfs/dbraw/zinc/09/87/10/1068098710.db2.gz CMFPNQRZKUJHIR-PDGJWGCVSA-N 1 1 454.627 4.806 20 0 JJADMO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N2CC[C@@H](C(F)(F)F)O[C@H](C)C2)c1 ZINC001462570491 1068100645 /nfs/dbraw/zinc/10/06/45/1068100645.db2.gz LMPZSDRLZPYSBU-GOUWZUTHSA-N 1 1 460.540 4.779 20 0 JJADMO CCC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)CCOCC1 ZINC001546132568 1068101851 /nfs/dbraw/zinc/10/18/51/1068101851.db2.gz NHVJSPJCYIGKRR-SFHVURJKSA-N 1 1 496.483 4.616 20 0 JJADMO COC(=O)c1ccc(COc2ccc(C[N@H+]3CC[C@@H](c4c(F)cccc4F)C3)cc2OC)o1 ZINC001462576251 1068102271 /nfs/dbraw/zinc/10/22/71/1068102271.db2.gz BVNRGEOCGQJNGS-QGZVFWFLSA-N 1 1 457.473 4.922 20 0 JJADMO CCn1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)c(-c2ccccc2)n1 ZINC001462588545 1068105205 /nfs/dbraw/zinc/10/52/05/1068105205.db2.gz JGGDSBCLDIFLCX-OALUTQOASA-N 1 1 452.521 4.848 20 0 JJADMO CCn1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)c(-c2ccccc2)n1 ZINC001462588545 1068105212 /nfs/dbraw/zinc/10/52/12/1068105212.db2.gz JGGDSBCLDIFLCX-OALUTQOASA-N 1 1 452.521 4.848 20 0 JJADMO Cn1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)c(-c2ccc(F)cc2)n1 ZINC001462592324 1068107056 /nfs/dbraw/zinc/10/70/56/1068107056.db2.gz OGFHDJGTGPPRKJ-ROUUACIJSA-N 1 1 456.484 4.504 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)c(-c2ccc(F)cc2)n1 ZINC001462592324 1068107062 /nfs/dbraw/zinc/10/70/62/1068107062.db2.gz OGFHDJGTGPPRKJ-ROUUACIJSA-N 1 1 456.484 4.504 20 0 JJADMO CC(C)(C)OC(=O)N1CCCC[C@]12CC[N@H+](Cc1c(F)ccc(C3OCCO3)c1Cl)C2 ZINC001462601189 1068109382 /nfs/dbraw/zinc/10/93/82/1068109382.db2.gz AWFIRDGCTZQDON-HSZRJFAPSA-N 1 1 454.970 4.890 20 0 JJADMO CC(C)(C)OC(=O)N1CCCC[C@]12CC[N@@H+](Cc1c(F)ccc(C3OCCO3)c1Cl)C2 ZINC001462601189 1068109389 /nfs/dbraw/zinc/10/93/89/1068109389.db2.gz AWFIRDGCTZQDON-HSZRJFAPSA-N 1 1 454.970 4.890 20 0 JJADMO CC(C)(C)OC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc(Cl)cc3)C2)c1 ZINC001462616316 1068112931 /nfs/dbraw/zinc/11/29/31/1068112931.db2.gz GNOCVBDQGGTCBM-JOCHJYFZSA-N 1 1 458.002 4.759 20 0 JJADMO COc1cc(C)ccc1Oc1ccccc1C[N@@H+]1CCC[C@@](CO)(NC(=O)OC(C)(C)C)C1 ZINC001462629244 1068117588 /nfs/dbraw/zinc/11/75/88/1068117588.db2.gz NRJANWASIDYNIM-AREMUKBSSA-N 1 1 456.583 4.648 20 0 JJADMO COc1cc(C)ccc1Oc1ccccc1C[N@H+]1CCC[C@@](CO)(NC(=O)OC(C)(C)C)C1 ZINC001462629244 1068117597 /nfs/dbraw/zinc/11/75/97/1068117597.db2.gz NRJANWASIDYNIM-AREMUKBSSA-N 1 1 456.583 4.648 20 0 JJADMO CC(C)[C@@H]1CCC[C@](NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)(C(F)(F)F)CC1 ZINC001462648485 1068123943 /nfs/dbraw/zinc/12/39/43/1068123943.db2.gz RHZQGMDOPWFWMF-ZVXPMLRVSA-N 1 1 456.597 4.888 20 0 JJADMO C[NH+](C)[C@@H]1CC[C@H]2CN(Cc3c(Br)cc(F)c(F)c3N3CCCCC3)C[C@H]2C1 ZINC001462655426 1068125888 /nfs/dbraw/zinc/12/58/88/1068125888.db2.gz QZZAKZDROCYQFS-GVDBMIGSSA-N 1 1 456.419 4.880 20 0 JJADMO O=S(=O)(NCc1cccc(Cl)c1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001462688777 1068132227 /nfs/dbraw/zinc/13/22/27/1068132227.db2.gz ZWQPRHAOMWBOEV-BJKOFHAPSA-N 1 1 458.986 4.567 20 0 JJADMO O=S(=O)(NCc1ccccc1F)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001462693826 1068133501 /nfs/dbraw/zinc/13/35/01/1068133501.db2.gz JDIKFHJTTDLMBE-LADGPHEKSA-N 1 1 458.986 4.567 20 0 JJADMO CCc1ccc([C@@H](CNS(=O)(=O)c2cc(Br)c(Cl)cc2C)[NH+](C)C)cc1 ZINC001462706198 1068137729 /nfs/dbraw/zinc/13/77/29/1068137729.db2.gz HMJHOGVZWQRCHO-GOSISDBHSA-N 1 1 459.837 4.555 20 0 JJADMO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC001462750027 1068155139 /nfs/dbraw/zinc/15/51/39/1068155139.db2.gz RTQLOAHLEMOTKC-WOJBJXKFSA-N 1 1 451.419 4.882 20 0 JJADMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC001462750027 1068155147 /nfs/dbraw/zinc/15/51/47/1068155147.db2.gz RTQLOAHLEMOTKC-WOJBJXKFSA-N 1 1 451.419 4.882 20 0 JJADMO Cc1c(Br)cc(F)cc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001462770971 1068162558 /nfs/dbraw/zinc/16/25/58/1068162558.db2.gz UZAYRKFMBVZNDZ-SJLPKXTDSA-N 1 1 459.281 4.689 20 0 JJADMO Cc1c(Br)cc(F)cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001462770971 1068162563 /nfs/dbraw/zinc/16/25/63/1068162563.db2.gz UZAYRKFMBVZNDZ-SJLPKXTDSA-N 1 1 459.281 4.689 20 0 JJADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC001462835311 1068184416 /nfs/dbraw/zinc/18/44/16/1068184416.db2.gz WDAZHLHUZHWJRX-QGZVFWFLSA-N 1 1 456.530 4.579 20 0 JJADMO O=S(=O)(c1c(Cl)cccc1C(F)(F)F)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001462863556 1068195181 /nfs/dbraw/zinc/19/51/81/1068195181.db2.gz ZKLPRJKRGSFIOC-UHFFFAOYSA-N 1 1 458.933 4.570 20 0 JJADMO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NCc2ccccc2OC(C)C)cc1 ZINC001462905485 1068210292 /nfs/dbraw/zinc/21/02/92/1068210292.db2.gz XSQBJKUCLVHVKL-XTEPFMGCSA-N 1 1 478.658 4.870 20 0 JJADMO CCCN([C@@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC001462981197 1068237575 /nfs/dbraw/zinc/23/75/75/1068237575.db2.gz HIRUUWZCHBPYNS-JOCHJYFZSA-N 1 1 455.649 4.875 20 0 JJADMO CCCN([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC001462981197 1068237587 /nfs/dbraw/zinc/23/75/87/1068237587.db2.gz HIRUUWZCHBPYNS-JOCHJYFZSA-N 1 1 455.649 4.875 20 0 JJADMO CCS[C@@H]1CCCCN(S(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(C)cc2)C1 ZINC001463062861 1068272272 /nfs/dbraw/zinc/27/22/72/1068272272.db2.gz FZUDSKXRRXOBLK-UODIDJSMSA-N 1 1 472.720 4.900 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNS(=O)(=O)c1cccc2c(Cl)ccnc21 ZINC001463129020 1068297239 /nfs/dbraw/zinc/29/72/39/1068297239.db2.gz TYPMHRMZDUVJFW-UHFFFAOYSA-N 1 1 455.967 4.592 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNS(=O)(=O)c1cccc2c(Cl)ccnc21 ZINC001463129020 1068297253 /nfs/dbraw/zinc/29/72/53/1068297253.db2.gz TYPMHRMZDUVJFW-UHFFFAOYSA-N 1 1 455.967 4.592 20 0 JJADMO Cc1noc(C)c1[C@H](C)NS(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001463136369 1068298938 /nfs/dbraw/zinc/29/89/38/1068298938.db2.gz PEOUKTVQEDCPKP-PDIWNELESA-N 1 1 474.026 4.593 20 0 JJADMO CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC001463145503 1068302386 /nfs/dbraw/zinc/30/23/86/1068302386.db2.gz BTLHHQHCWXOCEK-DETITRACSA-N 1 1 456.586 4.831 20 0 JJADMO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)N[C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001463150882 1068304396 /nfs/dbraw/zinc/30/43/96/1068304396.db2.gz RWPGUAVFBYFPRQ-NDIVSWGXSA-N 1 1 477.649 4.806 20 0 JJADMO O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001463223526 1068326013 /nfs/dbraw/zinc/32/60/13/1068326013.db2.gz COVHZEZZPXTPSL-NRFANRHFSA-N 1 1 457.398 4.809 20 0 JJADMO Cc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1C(F)(F)F ZINC001463224567 1068326557 /nfs/dbraw/zinc/32/65/57/1068326557.db2.gz JPWDDHJNJQJUPV-JOCHJYFZSA-N 1 1 452.542 4.691 20 0 JJADMO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(OCc3ccccc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001463229731 1068328131 /nfs/dbraw/zinc/32/81/31/1068328131.db2.gz IVAZLPXSTIURKT-URXFXBBRSA-N 1 1 450.604 4.597 20 0 JJADMO CCS[C@@H]1CCC[C@H]1NS(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(C)cc1 ZINC001463264517 1068338610 /nfs/dbraw/zinc/33/86/10/1068338610.db2.gz CQOYDBQMJHRYMO-ZYQDXHPFSA-N 1 1 458.693 4.557 20 0 JJADMO Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1C(F)(F)F ZINC001463276592 1068341286 /nfs/dbraw/zinc/34/12/86/1068341286.db2.gz AGFXBMJSQGSNJF-KNQAVFIVSA-N 1 1 452.542 4.689 20 0 JJADMO Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1C(F)(F)F ZINC001463276598 1068341470 /nfs/dbraw/zinc/34/14/70/1068341470.db2.gz AGFXBMJSQGSNJF-SIKLNZKXSA-N 1 1 452.542 4.689 20 0 JJADMO CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001463344339 1068364263 /nfs/dbraw/zinc/36/42/63/1068364263.db2.gz UAPWTOONIDRODP-QPXUXIHVSA-N 1 1 469.670 4.829 20 0 JJADMO CCOc1cccc(CCNS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(C)cc2)c1 ZINC001463357467 1068369460 /nfs/dbraw/zinc/36/94/60/1068369460.db2.gz HKADDBWMNFBHHS-WUFINQPMSA-N 1 1 478.658 4.524 20 0 JJADMO COC(=O)c1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc(F)c1Cl ZINC001463357672 1068370300 /nfs/dbraw/zinc/37/03/00/1068370300.db2.gz QHLVPIVXMNYNJS-QZTJIDSGSA-N 1 1 473.957 4.577 20 0 JJADMO C[C@]1(c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCc1ncccc1Br ZINC001463406329 1068386567 /nfs/dbraw/zinc/38/65/67/1068386567.db2.gz FYMNAZRHPROVEQ-PXDATVDWSA-N 1 1 464.407 4.550 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@]2(CCCCN2C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001463412840 1068389650 /nfs/dbraw/zinc/38/96/50/1068389650.db2.gz LTUZXDDMXUHYOZ-WNCULLNHSA-N 1 1 455.643 4.681 20 0 JJADMO O=C(N[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001463527947 1068428837 /nfs/dbraw/zinc/42/88/37/1068428837.db2.gz NBFDPCADSOPXMG-QKNQBKEWSA-N 1 1 467.329 4.876 20 0 JJADMO O=C(N[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001463527947 1068428842 /nfs/dbraw/zinc/42/88/42/1068428842.db2.gz NBFDPCADSOPXMG-QKNQBKEWSA-N 1 1 467.329 4.876 20 0 JJADMO O=S(=O)(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC001463638251 1068477631 /nfs/dbraw/zinc/47/76/31/1068477631.db2.gz IUBSLORKOSKAGN-FQEVSTJZSA-N 1 1 456.995 4.933 20 0 JJADMO Cc1ccc(Br)c(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC001463654853 1068482966 /nfs/dbraw/zinc/48/29/66/1068482966.db2.gz ILPRETOCZBHLMZ-UHFFFAOYSA-N 1 1 450.380 4.700 20 0 JJADMO O=C(c1cc(O)cc(Br)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC001463654902 1068483184 /nfs/dbraw/zinc/48/31/84/1068483184.db2.gz IXCLHVIHSKCLEL-UHFFFAOYSA-N 1 1 451.364 4.702 20 0 JJADMO CC(C)(C)C(=O)c1ccc(S(=O)(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001463770157 1068518704 /nfs/dbraw/zinc/51/87/04/1068518704.db2.gz XOLPLEAKHQMCLP-NOTZXAQLSA-N 1 1 454.636 4.779 20 0 JJADMO CCC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)c2C1 ZINC001463773218 1068520610 /nfs/dbraw/zinc/52/06/10/1068520610.db2.gz BCEBQEQJUUSGJT-LEWJYISDSA-N 1 1 451.655 4.863 20 0 JJADMO CC(C)Cc1ccc([C@@H](CNS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)[NH+](C)C)cc1 ZINC001463819424 1068535105 /nfs/dbraw/zinc/53/51/05/1068535105.db2.gz BUESKLFLAGRYAI-OAQYLSRUSA-N 1 1 458.546 4.506 20 0 JJADMO O=C(COc1ccc2cc(Br)ccc2c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001463828380 1068539490 /nfs/dbraw/zinc/53/94/90/1068539490.db2.gz QBHQRCUWVQGIEZ-UHFFFAOYSA-N 1 1 453.380 4.716 20 0 JJADMO CCOc1cc(NC(=O)[C@H]2CCC[N@H+](C(C)C)C2)c(OCC)cc1NC(=O)c1ccccc1 ZINC001463954669 1068574244 /nfs/dbraw/zinc/57/42/44/1068574244.db2.gz DUBQRQXYHVEFPE-FQEVSTJZSA-N 1 1 453.583 4.795 20 0 JJADMO CCc1cc(S(=O)(=O)Oc2cccc(C[N@@H+]3CCc4ccccc4C3)c2)c(C)cc1OC ZINC001463997194 1068583614 /nfs/dbraw/zinc/58/36/14/1068583614.db2.gz FKVAQGMEXNWRGM-UHFFFAOYSA-N 1 1 451.588 4.892 20 0 JJADMO CCc1cc(S(=O)(=O)Oc2cccc(C[N@H+]3CCc4ccccc4C3)c2)c(C)cc1OC ZINC001463997194 1068583621 /nfs/dbraw/zinc/58/36/21/1068583621.db2.gz FKVAQGMEXNWRGM-UHFFFAOYSA-N 1 1 451.588 4.892 20 0 JJADMO O=C(CCCC(=O)c1ccccc1)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC001464073835 1068605766 /nfs/dbraw/zinc/60/57/66/1068605766.db2.gz OQACCMJHONUIJM-UHFFFAOYSA-N 1 1 455.602 4.996 20 0 JJADMO CC[C@H](CNC(=O)CCCC(=O)c1ccc(Br)cc1)[N@H+]1CCc2ccccc2C1 ZINC001464096920 1068613928 /nfs/dbraw/zinc/61/39/28/1068613928.db2.gz FATYQNBJMKMSEI-JOCHJYFZSA-N 1 1 457.412 4.755 20 0 JJADMO O=C(CSc1nccn1Cc1ccccc1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001464134818 1068629199 /nfs/dbraw/zinc/62/91/99/1068629199.db2.gz FLYDBSYRJVOCBP-JOCHJYFZSA-N 1 1 455.027 4.630 20 0 JJADMO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001464152632 1068635060 /nfs/dbraw/zinc/63/50/60/1068635060.db2.gz HUAIZHCIWGRRDL-IAGOWNOFSA-N 1 1 450.549 4.714 20 0 JJADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001464154631 1068635844 /nfs/dbraw/zinc/63/58/44/1068635844.db2.gz HFPGJDQHJSZRGF-XAJLNHFYSA-N 1 1 455.643 4.857 20 0 JJADMO Cc1cccc(-c2noc(SCC(=O)NCc3ccccc3C[N@@H+]3CCC[C@H](C)C3)n2)c1 ZINC001464158055 1068636835 /nfs/dbraw/zinc/63/68/35/1068636835.db2.gz PBZHMUXHLPOHHM-IBGZPJMESA-N 1 1 450.608 4.685 20 0 JJADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc3cncc(Br)c3n2)C1 ZINC001464157957 1068637084 /nfs/dbraw/zinc/63/70/84/1068637084.db2.gz NMVCVJDBBDLEDQ-MRXNPFEDSA-N 1 1 453.384 4.554 20 0 JJADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)COCCc2ccc(Br)cc2)C1 ZINC001464162761 1068638797 /nfs/dbraw/zinc/63/87/97/1068638797.db2.gz YFPWGJNGSCFJFK-IBGZPJMESA-N 1 1 459.428 4.557 20 0 JJADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)COCCc2ccc(Br)cc2)C1 ZINC001464162764 1068638935 /nfs/dbraw/zinc/63/89/35/1068638935.db2.gz YFPWGJNGSCFJFK-LJQANCHMSA-N 1 1 459.428 4.557 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CC1(CC(=O)Nc2nccs2)CCCCC1 ZINC001464200716 1068654193 /nfs/dbraw/zinc/65/41/93/1068654193.db2.gz VJSXAIRUCANCRT-UHFFFAOYSA-N 1 1 456.656 4.969 20 0 JJADMO C[C@@H](CNC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC001464202053 1068655049 /nfs/dbraw/zinc/65/50/49/1068655049.db2.gz ULPGJCKHNGBKCE-IBGZPJMESA-N 1 1 451.517 4.698 20 0 JJADMO CC(C)c1ccc([C@H](CNC(=O)[C@@H](C)NC(=O)C(C)(C)C)[N@@H+]2CCc3sccc3C2)cc1 ZINC001464206564 1068656633 /nfs/dbraw/zinc/65/66/33/1068656633.db2.gz LFJYYTNTLIIJIE-GCJKJVERSA-N 1 1 455.668 4.638 20 0 JJADMO CC(C)c1ccc([C@H](CNC(=O)[C@@H](C)NC(=O)C(C)(C)C)[N@H+]2CCc3sccc3C2)cc1 ZINC001464206564 1068656639 /nfs/dbraw/zinc/65/66/39/1068656639.db2.gz LFJYYTNTLIIJIE-GCJKJVERSA-N 1 1 455.668 4.638 20 0 JJADMO CC(C)[C@H](C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)[C@H](C)NC(=O)OC(C)(C)C ZINC001464211739 1068659929 /nfs/dbraw/zinc/65/99/29/1068659929.db2.gz ODGXKCCWVGUMLI-XARGGIHNSA-N 1 1 459.675 4.966 20 0 JJADMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001464230860 1068667107 /nfs/dbraw/zinc/66/71/07/1068667107.db2.gz KLCAWYBTRIXBCY-IRXDYDNUSA-N 1 1 450.764 4.646 20 0 JJADMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001464230869 1068667133 /nfs/dbraw/zinc/66/71/33/1068667133.db2.gz KLCAWYBTRIXBCY-SJORKVTESA-N 1 1 450.764 4.646 20 0 JJADMO C[C@@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001464239228 1068670689 /nfs/dbraw/zinc/67/06/89/1068670689.db2.gz SBCVYHXTYKMSET-KNQAVFIVSA-N 1 1 451.586 4.839 20 0 JJADMO C[C@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001464239239 1068670703 /nfs/dbraw/zinc/67/07/03/1068670703.db2.gz SBCVYHXTYKMSET-UGKGYDQZSA-N 1 1 451.586 4.839 20 0 JJADMO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cccc(I)c2O)cc1 ZINC001464239863 1068671389 /nfs/dbraw/zinc/67/13/89/1068671389.db2.gz RTVDLIGDSWVKHE-CQSZACIVSA-N 1 1 450.320 4.624 20 0 JJADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cccc(I)c2O)cc1 ZINC001464239863 1068671395 /nfs/dbraw/zinc/67/13/95/1068671395.db2.gz RTVDLIGDSWVKHE-CQSZACIVSA-N 1 1 450.320 4.624 20 0 JJADMO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC001464249770 1068675183 /nfs/dbraw/zinc/67/51/83/1068675183.db2.gz NVVGHVXHEHREFM-QFIPXVFZSA-N 1 1 450.627 4.645 20 0 JJADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(OCC2CCCCC2)cc1 ZINC001464278023 1068687370 /nfs/dbraw/zinc/68/73/70/1068687370.db2.gz WVYZQBBKVHPYBH-QFQXNSOFSA-N 1 1 456.652 4.835 20 0 JJADMO C[N@H+](CC(=O)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1)[C@@H]1CCC[C@H]1O ZINC001464304811 1068698892 /nfs/dbraw/zinc/69/88/92/1068698892.db2.gz GORLJWZOMIPENC-HZPDHXFCSA-N 1 1 481.462 4.555 20 0 JJADMO C[N@@H+](CC(=O)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1)[C@@H]1CCC[C@H]1O ZINC001464304811 1068698897 /nfs/dbraw/zinc/69/88/97/1068698897.db2.gz GORLJWZOMIPENC-HZPDHXFCSA-N 1 1 481.462 4.555 20 0 JJADMO Cc1ccc(CCC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c(Br)c1 ZINC001464326132 1068706732 /nfs/dbraw/zinc/70/67/32/1068706732.db2.gz GLPJRXDLHLMREZ-UHFFFAOYSA-N 1 1 451.355 4.749 20 0 JJADMO Cc1ccccc1-n1ncc(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1C(C)C ZINC001464329462 1068707977 /nfs/dbraw/zinc/70/79/77/1068707977.db2.gz PXXUSCSDRHPVNB-UHFFFAOYSA-N 1 1 452.549 4.977 20 0 JJADMO CCCc1c(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cnn1-c1ccc(F)cc1 ZINC001464331322 1068709278 /nfs/dbraw/zinc/70/92/78/1068709278.db2.gz UKDWVCUVJLHVCS-UHFFFAOYSA-N 1 1 456.512 4.637 20 0 JJADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C1(c2ccccc2Br)CCCCC1 ZINC001464398513 1068732106 /nfs/dbraw/zinc/73/21/06/1068732106.db2.gz JHBLDHCHWVIYTA-UHFFFAOYSA-N 1 1 453.384 4.857 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001464410895 1068736871 /nfs/dbraw/zinc/73/68/71/1068736871.db2.gz CFBQUMLNZKETTB-UBFVSLLYSA-N 1 1 471.686 4.886 20 0 JJADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)c3cc(Br)c4ccccc4c3)c2)CCO1 ZINC001464426593 1068740977 /nfs/dbraw/zinc/74/09/77/1068740977.db2.gz WSTHIUTXNSUSDG-QGZVFWFLSA-N 1 1 453.380 4.753 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)c3cc(Br)c4ccccc4c3)c2)CCO1 ZINC001464426593 1068740984 /nfs/dbraw/zinc/74/09/84/1068740984.db2.gz WSTHIUTXNSUSDG-QGZVFWFLSA-N 1 1 453.380 4.753 20 0 JJADMO CCCS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC(C)C)cc1 ZINC001464425673 1068741161 /nfs/dbraw/zinc/74/11/61/1068741161.db2.gz DGKXZYUQKAHODB-ZJSXRUAMSA-N 1 1 457.640 4.571 20 0 JJADMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 ZINC001464434941 1068744403 /nfs/dbraw/zinc/74/44/03/1068744403.db2.gz UGHDGEXLODVQRO-OTWHNJEPSA-N 1 1 459.660 4.618 20 0 JJADMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc2c(c1)[C@@H](CNC(=O)OC(C)(C)C)CCC2 ZINC001464435078 1068744430 /nfs/dbraw/zinc/74/44/30/1068744430.db2.gz VOSSBFFBZMQUQB-FAKFISEUSA-N 1 1 457.659 4.727 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNS(=O)(=O)c2ccc(OC(F)F)c(F)c2)CCCCC1 ZINC001464439482 1068746603 /nfs/dbraw/zinc/74/66/03/1068746603.db2.gz LJLJAFIKXDAJPZ-UHFFFAOYSA-N 1 1 456.530 4.540 20 0 JJADMO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)c1 ZINC001464466256 1068756736 /nfs/dbraw/zinc/75/67/36/1068756736.db2.gz SZVUGFJFPOOURV-INYRMVIESA-N 1 1 454.014 4.502 20 0 JJADMO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C)[NH+](C)C ZINC001464537971 1068775639 /nfs/dbraw/zinc/77/56/39/1068775639.db2.gz HRFQLAJXDKWRNO-UZQPLGKSSA-N 1 1 451.442 4.997 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)C1 ZINC001464540756 1068776716 /nfs/dbraw/zinc/77/67/16/1068776716.db2.gz GEOUYAZIMDHPJZ-IBGZPJMESA-N 1 1 455.002 4.505 20 0 JJADMO 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ZINC001164693469 719812391 /nfs/dbraw/zinc/81/23/91/719812391.db2.gz VHZJGQGEAJNAIF-UHFFFAOYSA-N 1 1 485.000 4.857 20 0 JJADMO COC(=O)C[C@H](c1ccnc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c1)C1CC1 ZINC001164692655 719812442 /nfs/dbraw/zinc/81/24/42/719812442.db2.gz QTONMAIYXWOJOV-QFIPXVFZSA-N 1 1 454.640 4.538 20 0 JJADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)CC3)cs1 ZINC001164692094 719812787 /nfs/dbraw/zinc/81/27/87/719812787.db2.gz LNOQQBVXFVCTRU-UHFFFAOYSA-N 1 1 462.397 4.814 20 0 JJADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)CC3)cs1 ZINC001164692094 719812789 /nfs/dbraw/zinc/81/27/89/719812789.db2.gz LNOQQBVXFVCTRU-UHFFFAOYSA-N 1 1 462.397 4.814 20 0 JJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(-c4nc(C(C)(C)C)no4)ccn2)CC3)cs1 ZINC001164692177 719812795 /nfs/dbraw/zinc/81/27/95/719812795.db2.gz MYSVXYJOACQEJT-UHFFFAOYSA-N 1 1 452.628 4.829 20 0 JJADMO C[C@@H]1CCc2c(sc3ncnc(N4CCC5(CC4)C[N@@H+](Cc4cccs4)CCO5)c32)C1 ZINC001164694695 719891973 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ZCLPOGIQDMGXEO-OAQYLSRUSA-N 1 1 467.013 4.799 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1c(Cl)ncc(Cl)c1Cl)CC2 ZINC001164718058 720120737 /nfs/dbraw/zinc/12/07/37/720120737.db2.gz RDSZWFRSSFKJBF-INIZCTEOSA-N 1 1 455.817 4.944 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)C2 ZINC001164812540 720124363 /nfs/dbraw/zinc/12/43/63/720124363.db2.gz PHLIMYYUGJLJMN-YCRPNKLZSA-N 1 1 471.379 4.666 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)C2 ZINC001164812538 720125205 /nfs/dbraw/zinc/12/52/05/720125205.db2.gz PHLIMYYUGJLJMN-QVKFZJNVSA-N 1 1 471.379 4.666 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(-c3ccc(Cl)nn3)ccc1F)CC2 ZINC001164713086 720149118 /nfs/dbraw/zinc/14/91/18/720149118.db2.gz QMLGRIQNOHJOIK-OAQYLSRUSA-N 1 1 482.003 4.839 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(-c3ccncc3)nc3sccc31)CC2 ZINC001164711295 720152027 /nfs/dbraw/zinc/15/20/27/720152027.db2.gz HBNGSADLOVLOAA-JOCHJYFZSA-N 1 1 486.645 4.656 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(SCc3ccccc3)n1)CC2 ZINC001164713072 720152031 /nfs/dbraw/zinc/15/20/31/720152031.db2.gz QAOPNSFTCPAVKY-XMMPIXPASA-N 1 1 475.662 4.671 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)CC2 ZINC001164713060 720152643 /nfs/dbraw/zinc/15/26/43/720152643.db2.gz PSTLJMOAVJDORA-OAQYLSRUSA-N 1 1 487.044 4.593 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)Sc1ccc(Cl)nc1)CC2 ZINC001164714001 720156395 /nfs/dbraw/zinc/15/63/95/720156395.db2.gz NHGOJPBBSULGHM-SFHVURJKSA-N 1 1 469.001 4.776 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc3cc(Cl)ncc3cc1OC)CC2 ZINC001164716223 720157473 /nfs/dbraw/zinc/15/74/73/720157473.db2.gz ZAQFCNTWTZCTFC-JOCHJYFZSA-N 1 1 467.013 4.799 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc3cc(F)c(OC)cc31)CC2 ZINC001164716098 720159507 /nfs/dbraw/zinc/15/95/07/720159507.db2.gz XPKMMWFQUKDYNR-HXUWFJFHSA-N 1 1 485.003 4.938 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)C2 ZINC001164816047 720161226 /nfs/dbraw/zinc/16/12/26/720161226.db2.gz JZIWFJZVXMHPOO-ACJLOTCBSA-N 1 1 454.776 4.771 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)C2 ZINC001164814420 720187445 /nfs/dbraw/zinc/18/74/45/720187445.db2.gz GFRMWBOOCGQMDV-REWPJTCUSA-N 1 1 462.972 4.527 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)C2 ZINC001164814416 720187537 /nfs/dbraw/zinc/18/75/37/720187537.db2.gz GFRMWBOOCGQMDV-NZQKXSOJSA-N 1 1 462.972 4.527 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3cccc(OC)c3)nnc1Cl)C2 ZINC001164815439 720203300 /nfs/dbraw/zinc/20/33/00/720203300.db2.gz ZGBUOYOLLFAZMG-YADARESESA-N 1 1 492.998 4.535 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3ccc(OC)cc3)nnc1Cl)C2 ZINC001164811517 720204025 /nfs/dbraw/zinc/20/40/25/720204025.db2.gz JDHPOGCOKPGQQY-YADARESESA-N 1 1 492.998 4.535 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)C2 ZINC001164814578 720204878 /nfs/dbraw/zinc/20/48/78/720204878.db2.gz UNYJOTWJEPDLMD-MBSDFSHPSA-N 1 1 454.005 4.734 20 0 JJADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccc3nc(Cl)cc(Cl)c3c1)CCC2 ZINC001164812889 720220205 /nfs/dbraw/zinc/22/02/05/720220205.db2.gz KCHYZOGTMQFHPN-UHFFFAOYSA-N 1 1 496.389 4.894 20 0 JJADMO Cc1sc2nc(-c3cccs3)nc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c2c1C ZINC001164813875 720236963 /nfs/dbraw/zinc/23/69/63/720236963.db2.gz QUKVWQMUOYQOKY-UHFFFAOYSA-N 1 1 494.690 4.844 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@H]2CCC(=O)N3Cc2csc(C)n2)nc1 ZINC001164815783 720259589 /nfs/dbraw/zinc/25/95/89/720259589.db2.gz FBPJJJBTHDTFSN-ZLNRFVROSA-N 1 1 453.656 4.553 20 0 JJADMO O=C1N(CC2CC2)CC[C@@]12CCCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164817838 720281411 /nfs/dbraw/zinc/28/14/11/720281411.db2.gz GCGANKWTRKYYJP-MUUNZHRXSA-N 1 1 493.721 4.785 20 0 JJADMO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731039 720367805 /nfs/dbraw/zinc/36/78/05/720367805.db2.gz YISFAQBMZJHLSV-MSOLQXFVSA-N 1 1 450.320 4.730 20 0 JJADMO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164731039 720367808 /nfs/dbraw/zinc/36/78/08/720367808.db2.gz YISFAQBMZJHLSV-MSOLQXFVSA-N 1 1 450.320 4.730 20 0 JJADMO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730297 720393804 /nfs/dbraw/zinc/39/38/04/720393804.db2.gz WNEQGBJBSCLGNL-QZTJIDSGSA-N 1 1 450.320 4.730 20 0 JJADMO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730297 720393814 /nfs/dbraw/zinc/39/38/14/720393814.db2.gz WNEQGBJBSCLGNL-QZTJIDSGSA-N 1 1 450.320 4.730 20 0 JJADMO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730298 720395075 /nfs/dbraw/zinc/39/50/75/720395075.db2.gz WNEQGBJBSCLGNL-ROUUACIJSA-N 1 1 450.320 4.730 20 0 JJADMO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730298 720395079 /nfs/dbraw/zinc/39/50/79/720395079.db2.gz WNEQGBJBSCLGNL-ROUUACIJSA-N 1 1 450.320 4.730 20 0 JJADMO Cc1sc2nc(CN3CCCCC3)nc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164732424 720439396 /nfs/dbraw/zinc/43/93/96/720439396.db2.gz NHMOEJSFVWQWNN-FGZHOGPDSA-N 1 1 462.667 4.542 20 0 JJADMO COCc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164735947 720460017 /nfs/dbraw/zinc/46/00/17/720460017.db2.gz ZTZXVCDRDUOJOL-FCHUYYIVSA-N 1 1 457.603 4.753 20 0 JJADMO COc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164725795 720484347 /nfs/dbraw/zinc/48/43/47/720484347.db2.gz KLCKGIIHTIDOAG-FGZHOGPDSA-N 1 1 471.939 4.599 20 0 JJADMO COc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164725795 720484357 /nfs/dbraw/zinc/48/43/57/720484357.db2.gz KLCKGIIHTIDOAG-FGZHOGPDSA-N 1 1 471.939 4.599 20 0 JJADMO COc1ccccc1-c1cc(C(F)(F)N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c(Cl)nn1 ZINC001164729548 720484580 /nfs/dbraw/zinc/48/45/80/720484580.db2.gz RNWKSHKUCHJZFE-LEWJYISDSA-N 1 1 471.939 4.599 20 0 JJADMO COc1ccccc1-c1cc(C(F)(F)N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c(Cl)nn1 ZINC001164729548 720484587 /nfs/dbraw/zinc/48/45/87/720484587.db2.gz RNWKSHKUCHJZFE-LEWJYISDSA-N 1 1 471.939 4.599 20 0 JJADMO COc1ccccc1-c1cc(C(F)(F)N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c(Cl)nn1 ZINC001164729553 720485048 /nfs/dbraw/zinc/48/50/48/720485048.db2.gz RNWKSHKUCHJZFE-SFTDATJTSA-N 1 1 471.939 4.599 20 0 JJADMO COc1ccccc1-c1cc(C(F)(F)N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c(Cl)nn1 ZINC001164729553 720485051 /nfs/dbraw/zinc/48/50/51/720485051.db2.gz RNWKSHKUCHJZFE-SFTDATJTSA-N 1 1 471.939 4.599 20 0 JJADMO Fc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164725272 720487265 /nfs/dbraw/zinc/48/72/65/720487265.db2.gz JCRKUNUDLWOTGG-RTWAWAEBSA-N 1 1 459.903 4.729 20 0 JJADMO Fc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164725272 720487266 /nfs/dbraw/zinc/48/72/66/720487266.db2.gz JCRKUNUDLWOTGG-RTWAWAEBSA-N 1 1 459.903 4.729 20 0 JJADMO Fc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164725268 720487607 /nfs/dbraw/zinc/48/76/07/720487607.db2.gz JCRKUNUDLWOTGG-LEWJYISDSA-N 1 1 459.903 4.729 20 0 JJADMO Fc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164725268 720487614 /nfs/dbraw/zinc/48/76/14/720487614.db2.gz JCRKUNUDLWOTGG-LEWJYISDSA-N 1 1 459.903 4.729 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164833274 720520851 /nfs/dbraw/zinc/52/08/51/720520851.db2.gz CPBYNKUZGCEFKV-TXPKVOOTSA-N 1 1 478.950 4.542 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc4scc(-c5cccs5)c43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833294 720523312 /nfs/dbraw/zinc/52/33/12/720523312.db2.gz CYENEJKMEKMPIS-WSTZPKSXSA-N 1 1 464.664 4.994 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc4scc(-c5ccccc5)c43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164832468 720523360 /nfs/dbraw/zinc/52/33/60/720523360.db2.gz AVWXHCJLVKRGFB-FUPPJEDESA-N 1 1 458.635 4.933 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838441 720537430 /nfs/dbraw/zinc/53/74/30/720537430.db2.gz NWAGFLIOJBYTLR-KKUQBAQOSA-N 1 1 479.632 4.780 20 0 JJADMO CSc1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1Cl ZINC001164837396 720557682 /nfs/dbraw/zinc/55/76/82/720557682.db2.gz MFSQJVHOWIFWGD-YESZJQIVSA-N 1 1 456.006 4.576 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834202 720565758 /nfs/dbraw/zinc/56/57/58/720565758.db2.gz CQZZBNDRRSWOJO-QHAWAJNXSA-N 1 1 486.998 4.916 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nnc(Cc4ccccc4)c4ccccc43)CC[C@@H]21 ZINC001164844114 720597233 /nfs/dbraw/zinc/59/72/33/720597233.db2.gz YSMOSXOULCVUTR-NYULUDCUSA-N 1 1 466.633 4.795 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nnc(Cc4ccccc4)c4ccccc43)CC[C@@H]21 ZINC001164844115 720598631 /nfs/dbraw/zinc/59/86/31/720598631.db2.gz YSMOSXOULCVUTR-QONNDPFASA-N 1 1 466.633 4.795 20 0 JJADMO COc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@H](C[C@H](Cn6cccn6)[N@H+]5C(C)C)C4)c23)cc1 ZINC001164843513 720601154 /nfs/dbraw/zinc/60/11/54/720601154.db2.gz XOKKSTZAZCMTQT-PQNGQFLHSA-N 1 1 488.661 4.941 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(F)ccc3Oc3ccc(Cl)nn3)CC[C@@H]21 ZINC001164839739 720602161 /nfs/dbraw/zinc/60/21/61/720602161.db2.gz OGLNHXCWZOMVEA-HOJAQTOUSA-N 1 1 470.980 4.636 20 0 JJADMO Cc1sc2nc(-c3cccnc3)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1C ZINC001164836140 720605683 /nfs/dbraw/zinc/60/56/83/720605683.db2.gz DVPPBORPQPWQJQ-RJGXRXQPSA-N 1 1 487.677 4.944 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)CC[C@@H]21 ZINC001164836165 720611805 /nfs/dbraw/zinc/61/18/05/720611805.db2.gz DYXOIFQPAYWQHJ-RRPUWOKSSA-N 1 1 486.998 4.916 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(-c4ccc(Cl)nn4)ccc3F)CC[C@@H]21 ZINC001164837732 720620472 /nfs/dbraw/zinc/62/04/72/720620472.db2.gz ISKUOSITHKREGK-DXIQSLLYSA-N 1 1 454.981 4.510 20 0 JJADMO COc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc1 ZINC001164840456 720643340 /nfs/dbraw/zinc/64/33/40/720643340.db2.gz MPUNEOIEVQIQDJ-NNMXDRDESA-N 1 1 483.016 4.505 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(Cl)nc(Cc3ccccc3)n1)CC2 ZINC001164845433 720683610 /nfs/dbraw/zinc/68/36/10/720683610.db2.gz ZQWWGELPGPOGHW-QHCPKHFHSA-N 1 1 463.025 4.981 20 0 JJADMO COc1cc2c(cc1Cl)ncnc2N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164843771 720691503 /nfs/dbraw/zinc/69/15/03/720691503.db2.gz QTYLMIKGVDRQIE-LJQANCHMSA-N 1 1 452.986 4.552 20 0 JJADMO COc1cc2nc(Cl)c(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nc2cc1OC ZINC001164841860 720692575 /nfs/dbraw/zinc/69/25/75/720692575.db2.gz JOJNESVLNUKNJA-IBGZPJMESA-N 1 1 483.012 4.560 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(C(=O)NC(C)(C)C)cc(Cl)n1)CC2 ZINC001164841292 720695557 /nfs/dbraw/zinc/69/55/57/720695557.db2.gz ISYDSPSPGJICAE-OAQYLSRUSA-N 1 1 471.045 4.523 20 0 JJADMO CCOC(=O)c1cc2c(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)[nH]c(C)c(C)c-2n1 ZINC001164842767 720697347 /nfs/dbraw/zinc/69/73/47/720697347.db2.gz NDGXEQRLAAKTKF-QFIPXVFZSA-N 1 1 476.621 4.616 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(NC(=O)OC(C)(C)C)c3nc[nH]c31)CC2 ZINC001164840887 720708915 /nfs/dbraw/zinc/70/89/15/720708915.db2.gz RLASGWUXLRKFEG-HXUWFJFHSA-N 1 1 492.624 4.565 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc(-c3ccncc3)n1)CC2 ZINC001164837019 720710550 /nfs/dbraw/zinc/71/05/50/720710550.db2.gz CUTPMAJZFKTETH-OAQYLSRUSA-N 1 1 499.993 4.997 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncccc1C(=O)N1CCc3ccccc31)CC2 ZINC001164837057 720711230 /nfs/dbraw/zinc/71/12/30/720711230.db2.gz DCFLFYWOVCGOAG-RUZDIDTESA-N 1 1 482.628 4.544 20 0 JJADMO CCOc1ccc(-c2ccc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nn2)cc1 ZINC001164840911 720718423 /nfs/dbraw/zinc/71/84/23/720718423.db2.gz SIIBOCPFLABCPB-XMMPIXPASA-N 1 1 458.606 4.802 20 0 JJADMO COc1ccc(Cc2c(C)nc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nc2C)cc1 ZINC001164838171 720724453 /nfs/dbraw/zinc/72/44/53/720724453.db2.gz HAVVYYPJNBTNBS-AREMUKBSSA-N 1 1 486.660 4.953 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)n1 ZINC001164843724 720766411 /nfs/dbraw/zinc/76/64/11/720766411.db2.gz AKMHRVSGMZKZFI-NHCUHLMSSA-N 1 1 463.651 4.924 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4O[C@@H](COCc5ccccn5)CC[C@@H]43)c2c1C ZINC001164846251 720777045 /nfs/dbraw/zinc/77/70/45/720777045.db2.gz IJCCEHOGGVYYFX-VJBWXMMDSA-N 1 1 493.677 4.642 20 0 JJADMO Clc1nc(Cl)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1Cl ZINC001164739206 720820203 /nfs/dbraw/zinc/82/02/03/720820203.db2.gz HSGBENPVIYIOPZ-BFHYXJOUSA-N 1 1 476.239 4.666 20 0 JJADMO Cc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@H](C[C@H](Cn6cncn6)[N@H+]5CC5CC5)C4)c23)cc1 ZINC001164742871 720824177 /nfs/dbraw/zinc/82/41/77/720824177.db2.gz RBZJTFCWGZCXQZ-CQOQZXRMSA-N 1 1 485.661 4.638 20 0 JJADMO COC[C@@]12CCCO[C@@H]1CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164852173 720827624 /nfs/dbraw/zinc/82/76/24/720827624.db2.gz ZKWINCDLFIZVNN-RLWLMLJZSA-N 1 1 470.683 4.578 20 0 JJADMO c1ncn(C[C@H]2C[C@@H]3CN(c4ccc5cc(OCc6ccccc6)ccc5n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164741212 720834719 /nfs/dbraw/zinc/83/47/19/720834719.db2.gz DTEFHRBXWKLNNR-WWPJHQMMSA-N 1 1 494.643 4.785 20 0 JJADMO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742476 720845230 /nfs/dbraw/zinc/84/52/30/720845230.db2.gz GQJUUSSFIWCYPU-JJRVBVJISA-N 1 1 491.801 4.558 20 0 JJADMO Clc1ccc2ccc(Cl)c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2n1 ZINC001164751132 720856944 /nfs/dbraw/zinc/85/69/44/720856944.db2.gz QHMGHXUVKQLJGW-CMKODMSKSA-N 1 1 457.409 4.513 20 0 JJADMO Cc1nc([C@@H]2COCCN2c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)cs1 ZINC001164746852 720864656 /nfs/dbraw/zinc/86/46/56/720864656.db2.gz GTAGGLBWYWZFJK-SFHVURJKSA-N 1 1 455.653 4.509 20 0 JJADMO Fc1c(Cl)nccc1C(F)(F)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752897 720872444 /nfs/dbraw/zinc/87/24/44/720872444.db2.gz NJMNZAIAMYYYSG-AUSIDOKSSA-N 1 1 480.962 4.569 20 0 JJADMO Fc1ccc(C(F)(F)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1Cl ZINC001164754591 720875712 /nfs/dbraw/zinc/87/57/12/720875712.db2.gz SBTCTMMHSFHSLW-AUSIDOKSSA-N 1 1 480.962 4.569 20 0 JJADMO Fc1cccc2c1nc(Cl)nc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758789 720886433 /nfs/dbraw/zinc/88/64/33/720886433.db2.gz ZMMBKYORSBJLKI-FQRUVTKNSA-N 1 1 482.003 4.572 20 0 JJADMO Clc1nc2c(c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n1)CCCCC2 ZINC001164752514 720887706 /nfs/dbraw/zinc/88/77/06/720887706.db2.gz DVYLKYPPRROLML-CUNXSJBXSA-N 1 1 482.072 4.549 20 0 JJADMO Cc1cccc2c(Cl)nnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164755040 720887732 /nfs/dbraw/zinc/88/77/32/720887732.db2.gz KKMXTKLQPXIJED-AJTFRIOCSA-N 1 1 478.040 4.742 20 0 JJADMO Clc1cccc(-c2cccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)n1 ZINC001164749861 720890232 /nfs/dbraw/zinc/89/02/32/720890232.db2.gz ASXZXZNKQRHKQZ-QDPGVEIFSA-N 1 1 490.051 4.947 20 0 JJADMO c1cn(C2CCCC2)c2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164757443 720893404 /nfs/dbraw/zinc/89/34/04/720893404.db2.gz USUYSICRRVVRTL-FUFSCUOVSA-N 1 1 486.664 4.697 20 0 JJADMO Cc1cc(Cl)nc(C(F)(F)N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164749795 720895262 /nfs/dbraw/zinc/89/52/62/720895262.db2.gz AQRAJWDUGYPLKT-QPPBQGQZSA-N 1 1 476.999 4.738 20 0 JJADMO Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752553 720896325 /nfs/dbraw/zinc/89/63/25/720896325.db2.gz FDARFBKCNOQUPD-URXFXBBRSA-N 1 1 476.999 4.738 20 0 JJADMO COc1ccc2c(C)cc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2c1 ZINC001164757860 720896577 /nfs/dbraw/zinc/89/65/77/720896577.db2.gz VXSYVWXJFSFVSD-OUTSHDOLSA-N 1 1 472.633 4.702 20 0 JJADMO Cc1cccc2nc(Cl)nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164755639 720899569 /nfs/dbraw/zinc/89/95/69/720899569.db2.gz MHDJPBIWBUYEJJ-CUNXSJBXSA-N 1 1 478.040 4.742 20 0 JJADMO Cc1nc(C2CCCCC2)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753194 720905843 /nfs/dbraw/zinc/90/58/43/720905843.db2.gz QUIWQLMOZAQXMI-LITSAYRRSA-N 1 1 475.681 4.983 20 0 JJADMO Fc1cc2ncc(Cl)nc2cc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747966 720918310 /nfs/dbraw/zinc/91/83/10/720918310.db2.gz FADJMVVVHUDXKT-FNZWTVRRSA-N 1 1 482.003 4.572 20 0 JJADMO Cc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(-c2cccs2)n1 ZINC001164748563 720920535 /nfs/dbraw/zinc/92/05/35/720920535.db2.gz GYCRJHMCLHUHRV-WNCULLNHSA-N 1 1 475.662 4.664 20 0 JJADMO Fc1ccc2c(Cl)nnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164748049 720924615 /nfs/dbraw/zinc/92/46/15/720924615.db2.gz FJLNYDCHDZUAKS-RXFWQSSRSA-N 1 1 482.003 4.572 20 0 JJADMO Fc1ccc2c(Cl)nnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164748047 720925143 /nfs/dbraw/zinc/92/51/43/720925143.db2.gz FJLNYDCHDZUAKS-IBVKSMDESA-N 1 1 482.003 4.572 20 0 JJADMO Cc1cc(OCc2ccccc2)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754296 720929141 /nfs/dbraw/zinc/92/91/41/720929141.db2.gz WAUIJMXFZWSHEN-POURPWNDSA-N 1 1 499.659 4.514 20 0 JJADMO Fc1ccc2c(Cl)ncnc2c1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754192 720937508 /nfs/dbraw/zinc/93/75/08/720937508.db2.gz UGHQHWDBGFJGDX-FQRUVTKNSA-N 1 1 482.003 4.572 20 0 JJADMO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164859680 721003159 /nfs/dbraw/zinc/00/31/59/721003159.db2.gz LFEXYEDUDFNPNM-GOSISDBHSA-N 1 1 469.703 4.768 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)[C@@H]2C ZINC001164858029 721014237 /nfs/dbraw/zinc/01/42/37/721014237.db2.gz FIETWGMYNLVAJS-MRXNPFEDSA-N 1 1 460.960 4.960 20 0 JJADMO CC(C)c1ccc(-c2cc(C(F)(F)N3CCc4[nH+]cc(Cn5cccn5)n4CC3)c(Cl)nn2)cc1 ZINC001164862707 721034621 /nfs/dbraw/zinc/03/46/21/721034621.db2.gz PAQRKULTMXRPOM-UHFFFAOYSA-N 1 1 497.981 4.969 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(-c5ccccc5F)nc5ccc(Cl)cc54)C[C@@H]3C2)cn1 ZINC001164767421 721101059 /nfs/dbraw/zinc/10/10/59/721101059.db2.gz LSCFQPVYOZCCCR-OALUTQOASA-N 1 1 476.987 4.781 20 0 JJADMO Clc1ccc2nc(-c3ccccc3)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164864266 721104781 /nfs/dbraw/zinc/10/47/81/721104781.db2.gz FFSMXNJUXLCNIF-GOTSBHOMSA-N 1 1 471.992 4.825 20 0 JJADMO Clc1ccc2c(c1)nc(-c1ccccc1)nc2N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864874 721106240 /nfs/dbraw/zinc/10/62/40/721106240.db2.gz GZTVSJMYJQKDIS-XZOQPEGZSA-N 1 1 471.992 4.825 20 0 JJADMO Clc1nc2sc(-c3ccccc3)cc2c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867233 721118640 /nfs/dbraw/zinc/11/86/40/721118640.db2.gz XEMDSIKANXKKJX-VQTJNVASSA-N 1 1 478.021 4.886 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cnc(-c5ccccc5)c(-c5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164772759 721123234 /nfs/dbraw/zinc/12/32/34/721123234.db2.gz WKWZUMQPBILBBD-JWQCQUIFSA-N 1 1 450.590 4.502 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)nc(-c5ccc(-c6ccccc6)cc5)n4)C[C@H]3C2)cn1 ZINC001164772786 721135264 /nfs/dbraw/zinc/13/52/64/721135264.db2.gz WXWGCZJSDGVWNQ-BJKOFHAPSA-N 1 1 486.023 4.551 20 0 JJADMO c1ccc(-c2ccc(-c3ccc(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@H]5C4)nn3)cc2)cc1 ZINC001164876367 721163585 /nfs/dbraw/zinc/16/35/85/721163585.db2.gz LVUDVJZOHIXLLY-SVBPBHIXSA-N 1 1 463.585 4.685 20 0 JJADMO Clc1cccc(-c2nc3c(c(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)n2)CCCC3)c1 ZINC001164870317 721167880 /nfs/dbraw/zinc/16/78/80/721167880.db2.gz CNFHURPKLZXYDP-DHIUTWEWSA-N 1 1 476.024 4.551 20 0 JJADMO Cc1cccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c(Cl)nn2)c1 ZINC001164870181 721193275 /nfs/dbraw/zinc/19/32/75/721193275.db2.gz UDOAMRKVFJQSLW-SFTDATJTSA-N 1 1 485.966 4.525 20 0 JJADMO Cc1cccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c(Cl)nn2)c1 ZINC001164870175 721193941 /nfs/dbraw/zinc/19/39/41/721193941.db2.gz UDOAMRKVFJQSLW-LEWJYISDSA-N 1 1 485.966 4.525 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncnc5scc(-c6ccc(Cl)cc6)c54)C[C@@H]3C2)cn1 ZINC001164766981 721195172 /nfs/dbraw/zinc/19/51/72/721195172.db2.gz JVAORFUKCNFCHA-MOPGFXCFSA-N 1 1 465.026 4.704 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(-c5cccs5)nc5sc6c(c54)CCC6)C[C@@H]3C2)cn1 ZINC001164771888 721201643 /nfs/dbraw/zinc/20/16/43/721201643.db2.gz RSQSIRVZFCBVQH-ROUUACIJSA-N 1 1 476.675 4.600 20 0 JJADMO Cc1sc2nc(-c3cccs3)nc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1C ZINC001164763384 721202105 /nfs/dbraw/zinc/20/21/05/721202105.db2.gz FQZFWEOZKGBZAY-RTBURBONSA-N 1 1 464.664 4.728 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(-c5cccs5)nc5sc6c(c54)CCC6)C[C@H]3C2)cn1 ZINC001164771889 721202355 /nfs/dbraw/zinc/20/23/55/721202355.db2.gz RSQSIRVZFCBVQH-ZWKOTPCHSA-N 1 1 476.675 4.600 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5ccsc5)nc5sc6c(c54)CCCC6)C[C@@H]3C2)cn1 ZINC001164765109 721220091 /nfs/dbraw/zinc/22/00/91/721220091.db2.gz HUHYXMAIBFBGPX-QUCCMNQESA-N 1 1 490.702 4.990 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCn4c(COCC5CC5)cnc4[C@@H]3C)c2c1C ZINC001164871990 721242899 /nfs/dbraw/zinc/24/28/99/721242899.db2.gz JFAUZEUPSHRGOZ-SFHVURJKSA-N 1 1 480.682 4.998 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCn4c(COCC5CC5)cnc4[C@H]3C)c2c1C ZINC001164871987 721243164 /nfs/dbraw/zinc/24/31/64/721243164.db2.gz JFAUZEUPSHRGOZ-GOSISDBHSA-N 1 1 480.682 4.998 20 0 JJADMO COc1cccc(-c2cc(C(F)(F)N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)cnc2Cl)c1 ZINC001164763890 721246757 /nfs/dbraw/zinc/24/67/57/721246757.db2.gz NVXPTJVMCCTMTO-PMACEKPBSA-N 1 1 487.982 4.647 20 0 JJADMO Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164762484 721247708 /nfs/dbraw/zinc/24/77/08/721247708.db2.gz LARDITWKIAHVEP-LEWJYISDSA-N 1 1 471.983 4.947 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccs5)c4)C[C@H]3C2)cn1 ZINC001164761461 721249287 /nfs/dbraw/zinc/24/92/87/721249287.db2.gz IMXIDCLBSAKNES-DLBZAZTESA-N 1 1 463.985 4.700 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3O[C@H](COc4cccnc4)CC[C@H]32)n1 ZINC001164880144 721250856 /nfs/dbraw/zinc/25/08/56/721250856.db2.gz ZXVZQETXVUEKQU-BDTNDASRSA-N 1 1 481.666 4.750 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)nc1 ZINC001164875829 721259581 /nfs/dbraw/zinc/25/95/81/721259581.db2.gz MKRIWIWWHWFPFB-IWVFXYMLSA-N 1 1 476.665 4.967 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC4(CCC(=O)N4CC4CC4)CC3)c2c1C ZINC001164778472 721306901 /nfs/dbraw/zinc/30/69/01/721306901.db2.gz XPLNWAWBODSXEN-UHFFFAOYSA-N 1 1 467.683 4.665 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCO[C@@H]4C[C@H](COc5ccccn5)C[C@@H]43)c2c1C ZINC001164879515 721313947 /nfs/dbraw/zinc/31/39/47/721313947.db2.gz NEIKDSLPLVDOEP-BHIFYINESA-N 1 1 493.677 4.752 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCO[C@@H]4C[C@@H](COc5ccccn5)C[C@H]43)c2c1C ZINC001164879513 721314109 /nfs/dbraw/zinc/31/41/09/721314109.db2.gz NEIKDSLPLVDOEP-BHDDXSALSA-N 1 1 493.677 4.752 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)n1 ZINC001164878354 721318489 /nfs/dbraw/zinc/31/84/89/721318489.db2.gz NJBNTLWGIMRIKD-OAQYLSRUSA-N 1 1 477.678 4.650 20 0 JJADMO Cc1cccc(N(c2ccc3c(n2)CCN(Cc2ccccc2)C3)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164777413 721329430 /nfs/dbraw/zinc/32/94/30/721329430.db2.gz MZTLFIAWPOVMNI-WNJJXGMVSA-N 1 1 454.618 4.607 20 0 JJADMO COc1cccc2c(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)cc(Cl)nc12 ZINC001164776437 721331622 /nfs/dbraw/zinc/33/16/22/721331622.db2.gz FKAZRLPRRQHXKK-VWLOTQADSA-N 1 1 471.001 4.621 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc4ccsc4c(Cl)n3)C2)C1 ZINC001164778768 721340739 /nfs/dbraw/zinc/34/07/39/721340739.db2.gz OLHRCPZVXMWKCS-OAQYLSRUSA-N 1 1 497.999 4.613 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc4ccsc4c(Cl)n3)C2)C1 ZINC001164778768 721340741 /nfs/dbraw/zinc/34/07/41/721340741.db2.gz OLHRCPZVXMWKCS-OAQYLSRUSA-N 1 1 497.999 4.613 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc4ccc(F)cc43)C2)C1 ZINC001164778627 721343105 /nfs/dbraw/zinc/34/31/05/721343105.db2.gz NLFUCBQVAHCJGD-DEOSSOPVSA-N 1 1 458.965 4.751 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc4c(Cl)ccnc43)C2)C1 ZINC001164778326 721348673 /nfs/dbraw/zinc/34/86/73/721348673.db2.gz MSVFHTMJPKFTPI-QHCPKHFHSA-N 1 1 476.408 4.660 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4cccc(Cl)c43)C2)C1 ZINC001164779080 721350856 /nfs/dbraw/zinc/35/08/56/721350856.db2.gz QIXWMBPZHTYWMS-HSZRJFAPSA-N 1 1 476.408 4.660 20 0 JJADMO CSc1ccc(C(F)(F)N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1Cl ZINC001164779770 721354956 /nfs/dbraw/zinc/35/49/56/721354956.db2.gz WDYNZNDABMOGCX-OAQYLSRUSA-N 1 1 487.016 4.726 20 0 JJADMO CSc1ccc(C(F)(F)N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1Cl ZINC001164779770 721354959 /nfs/dbraw/zinc/35/49/59/721354959.db2.gz WDYNZNDABMOGCX-OAQYLSRUSA-N 1 1 487.016 4.726 20 0 JJADMO O=C1C[C@H]2[C@H](CCN2c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)N1c1ccsc1 ZINC001164882632 721358294 /nfs/dbraw/zinc/35/82/94/721358294.db2.gz KHUQBOWBCDRPJY-OALUTQOASA-N 1 1 479.675 4.612 20 0 JJADMO O=C1C[C@H]2[C@@H](CCN2c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)N1c1ccsc1 ZINC001164882631 721358451 /nfs/dbraw/zinc/35/84/51/721358451.db2.gz KHUQBOWBCDRPJY-MOPGFXCFSA-N 1 1 479.675 4.612 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@@H]2CC(=O)N3c2ccsc2)n1 ZINC001164885277 721358470 /nfs/dbraw/zinc/35/84/70/721358470.db2.gz XRJRLZCRBVNBCK-ROUUACIJSA-N 1 1 455.653 4.596 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc4cccc(C)c43)C2)C1 ZINC001164786990 721373190 /nfs/dbraw/zinc/37/31/90/721373190.db2.gz WNWNWHQAWRMAHM-RUZDIDTESA-N 1 1 455.002 4.920 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nccc4cc(F)c(Cl)cc43)C2)C1 ZINC001164784267 721373207 /nfs/dbraw/zinc/37/32/07/721373207.db2.gz RCNVMBIMSVTIHF-DEOSSOPVSA-N 1 1 458.965 4.751 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)C2)C1 ZINC001164780364 721376955 /nfs/dbraw/zinc/37/69/55/721376955.db2.gz GLOKRGCJXWHGHB-QHCPKHFHSA-N 1 1 480.987 4.881 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)C2)C1 ZINC001164780364 721376957 /nfs/dbraw/zinc/37/69/57/721376957.db2.gz GLOKRGCJXWHGHB-QHCPKHFHSA-N 1 1 480.987 4.881 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(-c5ccnc(Cl)c5)cc4)C3)O2)CC1 ZINC001164890497 721396338 /nfs/dbraw/zinc/39/63/38/721396338.db2.gz NQTPZXGHEBGFCX-ILBGXUMGSA-N 1 1 491.026 4.712 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cnc(-c5ccccc5)c(-c5ccccc5)n4)C3)O2)CC1 ZINC001164890920 721408630 /nfs/dbraw/zinc/40/86/30/721408630.db2.gz UILZIDJKTXSIRE-PDDLMNHVSA-N 1 1 483.660 4.576 20 0 JJADMO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164781725 721413311 /nfs/dbraw/zinc/41/33/11/721413311.db2.gz DJQDYFBLDRYQKF-RYUDHWBXSA-N 1 1 456.349 4.506 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(-c5ccccc5)nc5cc(Cl)ccc54)C3)O2)CC1 ZINC001164887713 721419738 /nfs/dbraw/zinc/41/97/38/721419738.db2.gz MNVBXRNOPHPDDI-QDPGVEIFSA-N 1 1 492.067 4.716 20 0 JJADMO Cc1ccc2nc(-c3ccccc3F)nc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2c1 ZINC001164890540 721419960 /nfs/dbraw/zinc/41/99/60/721419960.db2.gz SZCZRXQPTNONJE-ZTOMLWHTSA-N 1 1 489.639 4.510 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c3ccccc32)cc1C ZINC001164890251 721433982 /nfs/dbraw/zinc/43/39/82/721433982.db2.gz CSMJMXNTEQUHPQ-SETSBSEESA-N 1 1 485.676 4.679 20 0 JJADMO Cc1sc2nc(-c3cccs3)nc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2c1C ZINC001164898668 721434812 /nfs/dbraw/zinc/43/48/12/721434812.db2.gz WINMSNYVUOKIIF-RXFWQSSRSA-N 1 1 497.734 4.802 20 0 JJADMO Cc1nc(COC[C@@H]2CCC[C@@]23CN(c2nc(Cl)ccc2C[NH+]2CCCC2)CCO3)cs1 ZINC001164788170 721443983 /nfs/dbraw/zinc/44/39/83/721443983.db2.gz ZGNLBOPJKURZFP-GBXCKJPGSA-N 1 1 477.074 4.688 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(Oc6ccccc6)cc5)nn4)C3)O2)CC1 ZINC001164898711 721444315 /nfs/dbraw/zinc/44/43/15/721444315.db2.gz WPFDZLONRIQFBS-OFSOJUDTSA-N 1 1 499.659 4.701 20 0 JJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@]3(CCC[C@H]3COCc3csc(C)n3)C2)nc1 ZINC001164787500 721445364 /nfs/dbraw/zinc/44/53/64/721445364.db2.gz XHJJPQDSKHWYCZ-FBILRYNDSA-N 1 1 470.683 4.986 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(-c5cccs5)c4)C3)O2)CC1 ZINC001164889721 721453595 /nfs/dbraw/zinc/45/35/95/721453595.db2.gz PNVHNNDNDDFDCD-AUSIDOKSSA-N 1 1 497.055 4.774 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3nc(Cl)cnc3cc1Cl)CC2 ZINC001164783720 721457822 /nfs/dbraw/zinc/45/78/22/721457822.db2.gz GCMZOBIJKIVBGJ-SFHVURJKSA-N 1 1 479.452 4.671 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3cccc(Cl)c31)CC2 ZINC001164790024 721459314 /nfs/dbraw/zinc/45/93/14/721459314.db2.gz ZAKQXMXZTXLOAJ-GOSISDBHSA-N 1 1 479.452 4.671 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(-c3cccc(Cl)n3)n1)CC2 ZINC001164785702 721460043 /nfs/dbraw/zinc/46/00/43/721460043.db2.gz MXJNDUDHBZBANZ-NRFANRHFSA-N 1 1 471.045 4.531 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(F)cc3ccc(Cl)nc31)CC2 ZINC001164789285 721460058 /nfs/dbraw/zinc/46/00/58/721460058.db2.gz WLOPBJNEARHNKQ-OAQYLSRUSA-N 1 1 462.009 4.761 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(CCN(Cc4csc(C)n4)C3=O)C2)nc1 ZINC001164887945 721462021 /nfs/dbraw/zinc/46/20/21/721462021.db2.gz LBNMKAJFMWEOEL-BVAGGSTKSA-N 1 1 467.683 4.803 20 0 JJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(CCN(Cc4csc(C)n4)C3=O)C2)nc1 ZINC001164887948 721462056 /nfs/dbraw/zinc/46/20/56/721462056.db2.gz LBNMKAJFMWEOEL-OZXSUGGESA-N 1 1 467.683 4.803 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1nc3ccccc3nc1Cl)CC2 ZINC001164789397 721462313 /nfs/dbraw/zinc/46/23/13/721462313.db2.gz XQFLFRKRXOBCBY-LJQANCHMSA-N 1 1 495.014 4.562 20 0 JJADMO CC(C)C(=O)N1CC[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CC[C@@H](C)C5)CC[C@H]21 ZINC001164887617 721465238 /nfs/dbraw/zinc/46/52/38/721465238.db2.gz CYGIMMVWWQMWQP-RZUBCFFCSA-N 1 1 495.737 4.885 20 0 JJADMO CC(C)C(=O)N1CC[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)CC[C@@H]21 ZINC001164889033 721465471 /nfs/dbraw/zinc/46/54/71/721465471.db2.gz HDHQISCMURABGZ-FPOVZHCZSA-N 1 1 481.710 4.639 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)nc(-c3ccc(F)cc3)n1)CC2 ZINC001164791744 721468435 /nfs/dbraw/zinc/46/84/35/721468435.db2.gz YIGQTVPMIPORLP-QFIPXVFZSA-N 1 1 489.035 4.670 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(SCc3ccccc3)ncn1)CC2 ZINC001164786265 721470308 /nfs/dbraw/zinc/47/03/08/721470308.db2.gz AEGHSIRRZSJALZ-DEOSSOPVSA-N 1 1 482.694 4.503 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc3cc(F)c(Cl)cc31)CC2 ZINC001164788738 721470603 /nfs/dbraw/zinc/47/06/03/721470603.db2.gz JGRZOUAKBCISAE-FQEVSTJZSA-N 1 1 462.009 4.761 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3c(Cl)cccc3nc1Cl)CC2 ZINC001164791742 721471638 /nfs/dbraw/zinc/47/16/38/721471638.db2.gz YIBUCHCQKAGOJP-SFHVURJKSA-N 1 1 479.452 4.671 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3cc(Cl)ncc3cc1OC)CC2 ZINC001164791176 721474613 /nfs/dbraw/zinc/47/46/13/721474613.db2.gz UYMGWSFMWOBSHU-QFIPXVFZSA-N 1 1 474.045 4.631 20 0 JJADMO CCOc1cc2ncnc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c2cc1OCC ZINC001164792015 721495256 /nfs/dbraw/zinc/49/52/56/721495256.db2.gz JQKZNFWLGXAFEC-UHFFFAOYSA-N 1 1 461.610 4.703 20 0 JJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)ccc1C(=O)NC(C)(C)C)CC2 ZINC001164791989 721496476 /nfs/dbraw/zinc/49/64/76/721496476.db2.gz IQBUPQCGPIWTEK-UHFFFAOYSA-N 1 1 456.034 4.539 20 0 JJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(C(=O)NC(C)(C)C)cc(Cl)n1)CC2 ZINC001164792626 721496790 /nfs/dbraw/zinc/49/67/90/721496790.db2.gz SONIPBITLLGTJH-UHFFFAOYSA-N 1 1 456.034 4.539 20 0 JJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc(Oc3ccc(F)cc3)n1)CC2 ZINC001164796288 721497166 /nfs/dbraw/zinc/49/71/66/721497166.db2.gz PGLXUZMBSPIQMC-UHFFFAOYSA-N 1 1 468.964 4.732 20 0 JJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc3ccccc3nc1N1CCCCC1)CC2 ZINC001164795413 721499503 /nfs/dbraw/zinc/49/95/03/721499503.db2.gz GLUIUQVRHOPZCK-UHFFFAOYSA-N 1 1 456.638 4.896 20 0 JJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(-c3cccnc3)nc3ccccc31)CC2 ZINC001164796670 721499844 /nfs/dbraw/zinc/49/98/44/721499844.db2.gz VBMJJFNOSWEMJT-UHFFFAOYSA-N 1 1 450.590 4.968 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4ccccc4)c32)[C@@H]2CCCO[C@H]12 ZINC001164799936 721540737 /nfs/dbraw/zinc/54/07/37/721540737.db2.gz CFJPXNLZBPXUGH-AKFKNWHVSA-N 1 1 457.603 4.622 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4ccccc4)c32)[C@@H]2CCCO[C@H]12 ZINC001164799936 721540742 /nfs/dbraw/zinc/54/07/42/721540742.db2.gz CFJPXNLZBPXUGH-AKFKNWHVSA-N 1 1 457.603 4.622 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4cccs4)c32)[C@H]2CCCO[C@@H]12 ZINC001164807171 721541158 /nfs/dbraw/zinc/54/11/58/721541158.db2.gz PWGDOIAASNJTGR-NNMXDRDESA-N 1 1 463.632 4.683 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4cccs4)c32)[C@H]2CCCO[C@@H]12 ZINC001164807171 721541159 /nfs/dbraw/zinc/54/11/59/721541159.db2.gz PWGDOIAASNJTGR-NNMXDRDESA-N 1 1 463.632 4.683 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3cc(Cl)c(Cl)cc3nc2Cl)[C@H]2CCCO[C@H]12 ZINC001164798964 721542027 /nfs/dbraw/zinc/54/20/27/721542027.db2.gz AFOQUCUYWGLUQO-ZCNNSNEGSA-N 1 1 478.811 4.853 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3cc(Cl)c(Cl)cc3nc2Cl)[C@H]2CCCO[C@H]12 ZINC001164798964 721542032 /nfs/dbraw/zinc/54/20/32/721542032.db2.gz AFOQUCUYWGLUQO-ZCNNSNEGSA-N 1 1 478.811 4.853 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)nc(Cl)c(Cl)c2Cl)[C@@H]2CCCO[C@H]12 ZINC001164805189 721542182 /nfs/dbraw/zinc/54/21/82/721542182.db2.gz LBIKMCGMRPBPRS-XNJGSVPQSA-N 1 1 462.208 4.958 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)nc(Cl)c(Cl)c2Cl)[C@@H]2CCCO[C@H]12 ZINC001164805189 721542183 /nfs/dbraw/zinc/54/21/83/721542183.db2.gz LBIKMCGMRPBPRS-XNJGSVPQSA-N 1 1 462.208 4.958 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)[C@H]2CCCO[C@@H]12 ZINC001164806106 721545785 /nfs/dbraw/zinc/54/57/85/721545785.db2.gz NUTKJHMNXMLVJP-XUVXKRRUSA-N 1 1 494.373 4.745 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)[C@H]2CCCO[C@@H]12 ZINC001164806106 721545787 /nfs/dbraw/zinc/54/57/87/721545787.db2.gz NUTKJHMNXMLVJP-XUVXKRRUSA-N 1 1 494.373 4.745 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ccnc(Cl)c3c2)[C@@H]2CCCO[C@@H]12 ZINC001164804457 721548309 /nfs/dbraw/zinc/54/83/09/721548309.db2.gz JRGZZKHHJAEUDZ-YPAWHYETSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ccnc(Cl)c3c2)[C@@H]2CCCO[C@@H]12 ZINC001164804457 721548311 /nfs/dbraw/zinc/54/83/11/721548311.db2.gz JRGZZKHHJAEUDZ-YPAWHYETSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ccc(Cl)nc3c2)[C@H]2CCCO[C@@H]12 ZINC001164799877 721548369 /nfs/dbraw/zinc/54/83/69/721548369.db2.gz BNMDECYWEBAIRB-QZNHQXDQSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ccc(Cl)nc3c2)[C@H]2CCCO[C@@H]12 ZINC001164799877 721548372 /nfs/dbraw/zinc/54/83/72/721548372.db2.gz BNMDECYWEBAIRB-QZNHQXDQSA-N 1 1 458.940 4.696 20 0 JJADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccnc5)c4)CC[N@H+]3C2)c1 ZINC001164910232 721561885 /nfs/dbraw/zinc/56/18/85/721561885.db2.gz WBHRVMZMWQTPHQ-TZIWHRDSSA-N 1 1 474.914 4.823 20 0 JJADMO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccncc5)c4)CC[N@H+]3C2)c1 ZINC001164905946 721562114 /nfs/dbraw/zinc/56/21/14/721562114.db2.gz IEDRGGGXDDDLAN-CTNGQTDRSA-N 1 1 474.914 4.823 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3c(Cl)nccc32)[C@@H]2CCCO[C@@H]12 ZINC001164809868 721568746 /nfs/dbraw/zinc/56/87/46/721568746.db2.gz XQAZFIIJVSISSU-YPAWHYETSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3c(Cl)nccc32)[C@@H]2CCCO[C@@H]12 ZINC001164809868 721568749 /nfs/dbraw/zinc/56/87/49/721568749.db2.gz XQAZFIIJVSISSU-YPAWHYETSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4ccc(F)cc4)c32)[C@H]2CCCO[C@@H]12 ZINC001164800316 721576394 /nfs/dbraw/zinc/57/63/94/721576394.db2.gz DTFNPFVSJZSHIH-WMTXJRDZSA-N 1 1 475.593 4.761 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4ccc(F)cc4)c32)[C@H]2CCCO[C@@H]12 ZINC001164800316 721576395 /nfs/dbraw/zinc/57/63/95/721576395.db2.gz DTFNPFVSJZSHIH-WMTXJRDZSA-N 1 1 475.593 4.761 20 0 JJADMO Cc1sc2nc(-c3cccnc3)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2c1C ZINC001164809488 721577789 /nfs/dbraw/zinc/57/77/89/721577789.db2.gz SMZRFHBRGBRYMN-FIXSFTCYSA-N 1 1 486.645 4.633 20 0 JJADMO Cc1sc2nc(-c3cccnc3)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2c1C ZINC001164809488 721577793 /nfs/dbraw/zinc/57/77/93/721577793.db2.gz SMZRFHBRGBRYMN-FIXSFTCYSA-N 1 1 486.645 4.633 20 0 JJADMO Cc1sc2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2c1-c1ccccc1 ZINC001164808068 721578331 /nfs/dbraw/zinc/57/83/31/721578331.db2.gz PTUOSKRPUMXUEW-SLSDLSHTSA-N 1 1 471.630 4.930 20 0 JJADMO Cc1sc2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2c1-c1ccccc1 ZINC001164808068 721578334 /nfs/dbraw/zinc/57/83/34/721578334.db2.gz PTUOSKRPUMXUEW-SLSDLSHTSA-N 1 1 471.630 4.930 20 0 JJADMO Cc1nc2sc3c(c2c(N2C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]42)n1)CCCCC3 ZINC001164809631 721578529 /nfs/dbraw/zinc/57/85/29/721578529.db2.gz UGLQPNVLWQLLBD-HFMPRLQTSA-N 1 1 463.651 4.532 20 0 JJADMO Cc1nc2sc3c(c2c(N2C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]42)n1)CCCCC3 ZINC001164809631 721578531 /nfs/dbraw/zinc/57/85/31/721578531.db2.gz UGLQPNVLWQLLBD-HFMPRLQTSA-N 1 1 463.651 4.532 20 0 JJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3cnn(CC4CCOCC4)c3[C@H]2COCC)nc1 ZINC001164902192 721578707 /nfs/dbraw/zinc/57/87/07/721578707.db2.gz CHIVIIRJFHJNFE-IZZNHLLZSA-N 1 1 481.685 4.782 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)[C@H]2CCCO[C@@H]12 ZINC001164805621 721578783 /nfs/dbraw/zinc/57/87/83/721578783.db2.gz LGZOGKXAZKPJEO-SGIRGMQISA-N 1 1 498.656 4.505 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)[C@H]2CCCO[C@@H]12 ZINC001164805621 721578790 /nfs/dbraw/zinc/57/87/90/721578790.db2.gz LGZOGKXAZKPJEO-SGIRGMQISA-N 1 1 498.656 4.505 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc(-c3ccc(Cl)nn3)c2)[C@@H]2CCCO[C@H]12 ZINC001164799276 721584592 /nfs/dbraw/zinc/58/45/92/721584592.db2.gz AJASNGZFYZYVFH-AKFKNWHVSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc(-c3ccc(Cl)nn3)c2)[C@@H]2CCCO[C@H]12 ZINC001164799276 721584594 /nfs/dbraw/zinc/58/45/94/721584594.db2.gz AJASNGZFYZYVFH-AKFKNWHVSA-N 1 1 485.966 4.605 20 0 JJADMO Cc1nc(-c2ccccc2Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1C ZINC001164811495 721585355 /nfs/dbraw/zinc/58/53/55/721585355.db2.gz XUBIPKIWRIHLOX-KMDXXIMOSA-N 1 1 464.013 4.677 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccc(Cl)s3)nc3c2CCC3)[C@H]2CCCO[C@H]12 ZINC001164804132 721585994 /nfs/dbraw/zinc/58/59/94/721585994.db2.gz IXPVHWBNIXLIRU-MZKRTTBSSA-N 1 1 482.053 4.610 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)[C@@H]2CCCO[C@H]12 ZINC001164805828 721586366 /nfs/dbraw/zinc/58/63/66/721586366.db2.gz LZBCULMNLSCIPE-ZLNRFVROSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)[C@@H]2CCCO[C@H]12 ZINC001164805828 721586368 /nfs/dbraw/zinc/58/63/68/721586368.db2.gz LZBCULMNLSCIPE-ZLNRFVROSA-N 1 1 485.966 4.605 20 0 JJADMO FC1(F)CCN(c2ccc(-c3ccc(Cl)cc3)nn2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904092 721586811 /nfs/dbraw/zinc/58/68/11/721586811.db2.gz CVQWJFNFEDNNTP-QHCPKHFHSA-N 1 1 455.940 4.930 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)nc2C(F)(F)F)[C@H]2CCCO[C@H]12 ZINC001164810957 721587885 /nfs/dbraw/zinc/58/78/85/721587885.db2.gz WTIYVUMVUGWAMY-JZXOWHBKSA-N 1 1 476.877 4.562 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)nc2C(F)(F)F)[C@H]2CCCO[C@H]12 ZINC001164810957 721587888 /nfs/dbraw/zinc/58/78/88/721587888.db2.gz WTIYVUMVUGWAMY-JZXOWHBKSA-N 1 1 476.877 4.562 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2cccc(Cl)c2)[C@@H]2CCCO[C@H]12 ZINC001164810855 721589605 /nfs/dbraw/zinc/58/96/05/721589605.db2.gz WLMUCOUBZIXDKU-FCEUIQTBSA-N 1 1 486.403 4.839 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2cccc(Cl)c2)[C@@H]2CCCO[C@H]12 ZINC001164810855 721589608 /nfs/dbraw/zinc/58/96/08/721589608.db2.gz WLMUCOUBZIXDKU-FCEUIQTBSA-N 1 1 486.403 4.839 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2cccc(Cl)c2)[C@@H]2CCCO[C@@H]12 ZINC001164810852 721589631 /nfs/dbraw/zinc/58/96/31/721589631.db2.gz WLMUCOUBZIXDKU-CEMLEFRQSA-N 1 1 486.403 4.839 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2cccc(Cl)c2)[C@@H]2CCCO[C@@H]12 ZINC001164810852 721589632 /nfs/dbraw/zinc/58/96/32/721589632.db2.gz WLMUCOUBZIXDKU-CEMLEFRQSA-N 1 1 486.403 4.839 20 0 JJADMO Cc1ccc(-c2cc(C(F)(F)N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c(Cl)nn2)cc1 ZINC001164804109 721591610 /nfs/dbraw/zinc/59/16/10/721591610.db2.gz IPODWJIAGAFIIV-TZRRMPRUSA-N 1 1 499.993 4.914 20 0 JJADMO Cc1ccc(-c2cc(C(F)(F)N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c(Cl)nn2)cc1 ZINC001164804109 721591613 /nfs/dbraw/zinc/59/16/13/721591613.db2.gz IPODWJIAGAFIIV-TZRRMPRUSA-N 1 1 499.993 4.914 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccco3)c2)[C@@H]2CCCO[C@H]21 ZINC001164806822 721591686 /nfs/dbraw/zinc/59/16/86/721591686.db2.gz NBSQAEDVMCUGHQ-KCZVDYSFSA-N 1 1 474.939 4.803 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccco3)c2)[C@@H]2CCCO[C@H]21 ZINC001164806822 721591687 /nfs/dbraw/zinc/59/16/87/721591687.db2.gz NBSQAEDVMCUGHQ-KCZVDYSFSA-N 1 1 474.939 4.803 20 0 JJADMO c1nc(COCC2CC2)c2n1CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164801508 721600104 /nfs/dbraw/zinc/60/01/04/721600104.db2.gz ONZZNFQNLLTNTO-UHFFFAOYSA-N 1 1 492.693 4.699 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(CC[C@@H](C(=O)Nc4cccnc4)O3)[C@@H](C)C2)nc1 ZINC001165009272 721692345 /nfs/dbraw/zinc/69/23/45/721692345.db2.gz OIYYWOYQCCMYCC-HAUPEQAHSA-N 1 1 477.653 4.816 20 0 JJADMO CCOC(=O)c1cnc(Cl)c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1Cl ZINC001164908489 721694280 /nfs/dbraw/zinc/69/42/80/721694280.db2.gz ZLJAPAOFZWMZKF-NRFANRHFSA-N 1 1 485.362 4.698 20 0 JJADMO FC1(F)CCN(c2nc(Cl)ncc2-c2ccccc2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904810 721705975 /nfs/dbraw/zinc/70/59/75/721705975.db2.gz DFBDNTSJNXHAQM-QHCPKHFHSA-N 1 1 455.940 4.930 20 0 JJADMO Fc1ccc(Cn2ccc3c2ncnc3N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc1 ZINC001164904975 721709803 /nfs/dbraw/zinc/70/98/03/721709803.db2.gz GDKLWQIDHACTJG-SANMLTNESA-N 1 1 492.549 4.751 20 0 JJADMO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906197 721717232 /nfs/dbraw/zinc/71/72/32/721717232.db2.gz KWVCERMXNPTIEQ-NRFANRHFSA-N 1 1 495.908 4.841 20 0 JJADMO FC1(F)CCN(c2nc3ccccc3nc2N2CCCCC2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904879 721722230 /nfs/dbraw/zinc/72/22/30/721722230.db2.gz FEGQMBKPMWHZEX-AREMUKBSSA-N 1 1 478.591 4.753 20 0 JJADMO Cc1nc2sc3c(c2c(N2CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C2)n1)CCC3 ZINC001164907417 721723401 /nfs/dbraw/zinc/72/34/01/721723401.db2.gz RRMMNQBJAVBVAL-QHCPKHFHSA-N 1 1 455.578 4.621 20 0 JJADMO FC1(F)CCN(c2nccc(SCc3ccccc3)n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164909828 721733431 /nfs/dbraw/zinc/73/34/31/721733431.db2.gz DVJSBXKQLCFEDG-DEOSSOPVSA-N 1 1 467.589 4.902 20 0 JJADMO C[C@H]1CCc2c(sc3ncnc(N4CCc5c(C[N@H+](C)Cc6ccco6)cncc5C4)c32)C1 ZINC001164911776 721752980 /nfs/dbraw/zinc/75/29/80/721752980.db2.gz ZEIBCVJRMJPEAZ-KRWDZBQOSA-N 1 1 459.619 4.999 20 0 JJADMO C[C@H]1CCc2c(sc3ncnc(N4CCc5c(C[N@@H+](C)Cc6ccco6)cncc5C4)c32)C1 ZINC001164911776 721752983 /nfs/dbraw/zinc/75/29/83/721752983.db2.gz ZEIBCVJRMJPEAZ-KRWDZBQOSA-N 1 1 459.619 4.999 20 0 JJADMO C[C@@H]1CCc2c(sc3ncnc(N4CCc5c(C[N@H+](C)Cc6ccco6)cncc5C4)c32)C1 ZINC001164911778 721753445 /nfs/dbraw/zinc/75/34/45/721753445.db2.gz ZEIBCVJRMJPEAZ-QGZVFWFLSA-N 1 1 459.619 4.999 20 0 JJADMO C[C@@H]1CCc2c(sc3ncnc(N4CCc5c(C[N@@H+](C)Cc6ccco6)cncc5C4)c32)C1 ZINC001164911778 721753449 /nfs/dbraw/zinc/75/34/49/721753449.db2.gz ZEIBCVJRMJPEAZ-QGZVFWFLSA-N 1 1 459.619 4.999 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)C2 ZINC001164909546 721754097 /nfs/dbraw/zinc/75/40/97/721754097.db2.gz HOMHZXFMTBVJML-UHFFFAOYSA-N 1 1 457.912 4.944 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)C2 ZINC001164909546 721754102 /nfs/dbraw/zinc/75/41/02/721754102.db2.gz HOMHZXFMTBVJML-UHFFFAOYSA-N 1 1 457.912 4.944 20 0 JJADMO CN(Cc1ccco1)Cc1cncc2c1CCN(c1[nH+]cnc3c1ccn3Cc1ccc(F)cc1)C2 ZINC001164911614 721756568 /nfs/dbraw/zinc/75/65/68/721756568.db2.gz WXRDCPAEVWGXTE-UHFFFAOYSA-N 1 1 482.563 4.801 20 0 JJADMO CCOC(=O)c1cc2ccccc2nc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164911774 721757893 /nfs/dbraw/zinc/75/78/93/721757893.db2.gz ZEHWJUOOCKXYLX-UHFFFAOYSA-N 1 1 456.546 4.594 20 0 JJADMO CCOC(=O)c1cc2ccccc2nc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164911774 721757895 /nfs/dbraw/zinc/75/78/95/721757895.db2.gz ZEHWJUOOCKXYLX-UHFFFAOYSA-N 1 1 456.546 4.594 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)C2 ZINC001164910129 721758983 /nfs/dbraw/zinc/75/89/83/721758983.db2.gz NMJPFTZCYMRYNE-UHFFFAOYSA-N 1 1 457.912 4.944 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)C2 ZINC001164910129 721758987 /nfs/dbraw/zinc/75/89/87/721758987.db2.gz NMJPFTZCYMRYNE-UHFFFAOYSA-N 1 1 457.912 4.944 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3c(Cl)nccc31)C2 ZINC001164909628 721759587 /nfs/dbraw/zinc/75/95/87/721759587.db2.gz DNGCIFLSXIWKKG-UHFFFAOYSA-N 1 1 455.349 4.514 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3c(Cl)nccc31)C2 ZINC001164909628 721759592 /nfs/dbraw/zinc/75/95/92/721759592.db2.gz DNGCIFLSXIWKKG-UHFFFAOYSA-N 1 1 455.349 4.514 20 0 JJADMO CCOC(=O)c1ccc(C(F)(F)N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c(Cl)n1 ZINC001164909485 721760276 /nfs/dbraw/zinc/76/02/76/721760276.db2.gz FPCDWZHTVZBVOV-UHFFFAOYSA-N 1 1 490.938 4.639 20 0 JJADMO CCOC(=O)c1ccc(C(F)(F)N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c(Cl)n1 ZINC001164909485 721760277 /nfs/dbraw/zinc/76/02/77/721760277.db2.gz FPCDWZHTVZBVOV-UHFFFAOYSA-N 1 1 490.938 4.639 20 0 JJADMO Cc1cc(OCc2ccccc2)nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164912541 721763442 /nfs/dbraw/zinc/76/34/42/721763442.db2.gz ZCMXPGLXICOALT-UHFFFAOYSA-N 1 1 455.562 4.547 20 0 JJADMO Cc1cc(OCc2ccccc2)nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164912541 721763445 /nfs/dbraw/zinc/76/34/45/721763445.db2.gz ZCMXPGLXICOALT-UHFFFAOYSA-N 1 1 455.562 4.547 20 0 JJADMO CCN(c1ccccc1)c1cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)ncn1 ZINC001164910477 721763630 /nfs/dbraw/zinc/76/36/30/721763630.db2.gz GIMAWBPGLQCVIS-UHFFFAOYSA-N 1 1 454.578 4.817 20 0 JJADMO CCN(c1ccccc1)c1cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)ncn1 ZINC001164910477 721763634 /nfs/dbraw/zinc/76/36/34/721763634.db2.gz GIMAWBPGLQCVIS-UHFFFAOYSA-N 1 1 454.578 4.817 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@@]3(CCN(c4cnccn4)C3)C2)nc1 ZINC001164914715 721803413 /nfs/dbraw/zinc/80/34/13/721803413.db2.gz FALIAIAXUYYIEJ-QPPBQGQZSA-N 1 1 456.585 4.551 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@]4(C[C@H](Oc5cccnc5)CO4)C3)c2c1C ZINC001164917320 721806832 /nfs/dbraw/zinc/80/68/32/721806832.db2.gz UXYYZCGCWGKVCJ-LVXARBLLSA-N 1 1 479.650 4.506 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@]4(C[C@H](Oc5cccnc5)CO4)C3)c2c1C ZINC001164917318 721806841 /nfs/dbraw/zinc/80/68/41/721806841.db2.gz UXYYZCGCWGKVCJ-HFZDXXHNSA-N 1 1 479.650 4.506 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)C[C@H]21 ZINC001165027231 721806853 /nfs/dbraw/zinc/80/68/53/721806853.db2.gz UOAIHIPZTUHPDE-WHSBFGAESA-N 1 1 489.067 4.778 20 0 JJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)n1 ZINC001164917344 721807646 /nfs/dbraw/zinc/80/76/46/721807646.db2.gz VCYJQRYQUTVGQW-ZBLYBZFDSA-N 1 1 487.629 4.632 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3ccn4Cc3ccc(F)cc3)C[C@H]21 ZINC001165029009 721815046 /nfs/dbraw/zinc/81/50/46/721815046.db2.gz YPHSXYUJYIJSLO-RMUDUWAUSA-N 1 1 470.596 4.751 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)ncc3C(=O)OC(C)(C)C)C[C@H]21 ZINC001165027177 721816762 /nfs/dbraw/zinc/81/67/62/721816762.db2.gz SVGWXPDAIBFNIG-IOMROCGXSA-N 1 1 457.018 4.822 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc(Oc4cccc(F)c4)n3)C[C@@H]21 ZINC001165018824 721817808 /nfs/dbraw/zinc/81/78/08/721817808.db2.gz AOIJOWQRGIGYQP-ORYQWCPZSA-N 1 1 468.964 4.588 20 0 JJADMO CCOC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(Cl)n1 ZINC001165026291 721821630 /nfs/dbraw/zinc/82/16/30/721821630.db2.gz OQJYEBNRMIHPMZ-CDXJDZJCSA-N 1 1 478.971 4.589 20 0 JJADMO COc1ccc2nc(C(F)(F)N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nc(Cl)c2c1 ZINC001165026758 721825780 /nfs/dbraw/zinc/82/57/80/721825780.db2.gz QAUCNCRGQLDMRH-XUEUYAKLSA-N 1 1 487.982 4.969 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(-c4ccccn4)nc4sccc43)C[C@@H]21 ZINC001165024128 721828836 /nfs/dbraw/zinc/82/88/36/721828836.db2.gz JTBPHZWNGLBXIM-AVCGJXAMSA-N 1 1 456.619 4.885 20 0 JJADMO Cc1ccc(-c2csc3nc(-c4ccncc4)nc(N4CC[C@H]5[C@H]4CC[N@@H+]5CCN(C)C)c23)cc1 ZINC001164935057 721879992 /nfs/dbraw/zinc/87/99/92/721879992.db2.gz VERRTMCQHVIRBY-BJKOFHAPSA-N 1 1 484.673 4.943 20 0 JJADMO Cc1ccc(-c2csc3nc(-c4ccncc4)nc(N4CC[C@H]5[C@H]4CCN5CC[NH+](C)C)c23)cc1 ZINC001164935057 721879994 /nfs/dbraw/zinc/87/99/94/721879994.db2.gz VERRTMCQHVIRBY-BJKOFHAPSA-N 1 1 484.673 4.943 20 0 JJADMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2C(F)(F)c1ccccc1-c1nc(Cl)c2ccccc2n1 ZINC001164929274 721889911 /nfs/dbraw/zinc/88/99/11/721889911.db2.gz AZJHOZUYSDWYAU-YADHBBJMSA-N 1 1 471.983 4.710 20 0 JJADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2C(F)(F)c1ccccc1-c1nc(Cl)c2ccccc2n1 ZINC001164929274 721889913 /nfs/dbraw/zinc/88/99/13/721889913.db2.gz AZJHOZUYSDWYAU-YADHBBJMSA-N 1 1 471.983 4.710 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4cc(Cl)nc(Cl)n4)CC3)C2)cc1 ZINC001164940071 721921123 /nfs/dbraw/zinc/92/11/23/721921123.db2.gz YLOABXYUVSBQNM-UHFFFAOYSA-N 1 1 457.352 4.508 20 0 JJADMO CSc1nc(Cl)cc(C(F)(F)N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164940002 721922270 /nfs/dbraw/zinc/92/22/70/721922270.db2.gz XWGNKKWIDQRUFF-UHFFFAOYSA-N 1 1 469.001 4.577 20 0 JJADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164940967 721925116 /nfs/dbraw/zinc/92/51/16/721925116.db2.gz XLSYXJHOURSSHQ-UHFFFAOYSA-N 1 1 492.645 4.562 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)nc5c(Cl)nccc54)CC3)C2)cc1 ZINC001164940716 721930287 /nfs/dbraw/zinc/93/02/87/721930287.db2.gz YLNJRWCCWATCIO-UHFFFAOYSA-N 1 1 458.393 4.511 20 0 JJADMO CC(C)C(=O)N[C@@H]1[C@H]2CN(c3nc(C[NH+]4CCC(C)CC4)nc4scc(-c5cccs5)c43)C[C@H]21 ZINC001164959358 722039652 /nfs/dbraw/zinc/03/96/52/722039652.db2.gz GKNRFWCCMHODMZ-CYGODWOOSA-N 1 1 495.718 4.859 20 0 JJADMO c1csc(-c2csc3ncnc(N4CCC5(CC4)COCC[N@H+](Cc4ccncc4)C5)c23)c1 ZINC001164958700 722054394 /nfs/dbraw/zinc/05/43/94/722054394.db2.gz FFBYKOSLLLZHNP-UHFFFAOYSA-N 1 1 477.659 4.934 20 0 JJADMO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164960676 722061607 /nfs/dbraw/zinc/06/16/07/722061607.db2.gz GYDHVCMYLPQBOQ-UHFFFAOYSA-N 1 1 499.993 4.856 20 0 JJADMO Cc1cncc(COCc2cnc3n2CCN(c2ccc4c(n2)CC[N@H+](Cc2ccccc2)C4)[C@H]3C)c1 ZINC001164966355 722062915 /nfs/dbraw/zinc/06/29/15/722062915.db2.gz RLOWIKSJYBCYLG-QHCPKHFHSA-N 1 1 494.643 4.838 20 0 JJADMO C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@@H]5C[C@@H](C(=O)NC6CCC6)C[C@@H]5C4)c32)C1 ZINC001164978378 722085630 /nfs/dbraw/zinc/08/56/30/722085630.db2.gz YWFYSFDLPBROPX-HAGHYFMRSA-N 1 1 493.721 4.543 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3c4ccccc4[C@H](NC(=O)N(C)C)[C@@H]3C2)n1 ZINC001164979141 722097957 /nfs/dbraw/zinc/09/79/57/722097957.db2.gz HFLAEYVBPHHHOD-LGVFNWMJSA-N 1 1 492.693 4.696 20 0 JJADMO c1csc(-c2csc3ncnc(N4CC[C@@H]5C[N@@H+](Cc6cccnc6)CCO[C@@H]5C4)c23)c1 ZINC001164979121 722107794 /nfs/dbraw/zinc/10/77/94/722107794.db2.gz HBYAMRQMWIUATM-UYAOXDASSA-N 1 1 463.632 4.542 20 0 JJADMO FC(F)(c1ccc2ccc(Cl)nc2c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971025 722111668 /nfs/dbraw/zinc/11/16/68/722111668.db2.gz BBZIBHHGUCJEMW-SIKLNZKXSA-N 1 1 458.940 4.555 20 0 JJADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975174 722129713 /nfs/dbraw/zinc/12/97/13/722129713.db2.gz FGAAFGPKTTZEDL-UWJYYQICSA-N 1 1 473.404 4.673 20 0 JJADMO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973984 722155770 /nfs/dbraw/zinc/15/57/70/722155770.db2.gz NUYBPVHSNNGFMV-URXFXBBRSA-N 1 1 480.012 4.607 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)nc1 ZINC001164992378 722186327 /nfs/dbraw/zinc/18/63/27/722186327.db2.gz WECIGBLAMSKCLR-UBFVSLLYSA-N 1 1 469.699 4.653 20 0 JJADMO O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001165000352 722221303 /nfs/dbraw/zinc/22/13/03/722221303.db2.gz WPDAOHBZDPEHIX-XMMPIXPASA-N 1 1 465.041 4.911 20 0 JJADMO O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164998633 722221428 /nfs/dbraw/zinc/22/14/28/722221428.db2.gz KWIWCHKPHQWISB-NDEPHWFRSA-N 1 1 493.655 4.615 20 0 JJADMO O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164998633 722221429 /nfs/dbraw/zinc/22/14/29/722221429.db2.gz KWIWCHKPHQWISB-NDEPHWFRSA-N 1 1 493.655 4.615 20 0 JJADMO CC(C)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CCNc1ncc(Cl)cc1Cl ZINC001359712183 1064261100 /nfs/dbraw/zinc/26/11/00/1064261100.db2.gz JJDPPBLDKCSSCN-UHFFFAOYSA-N 1 1 466.461 4.670 20 0 JJADMO CC(C)c1nnc(N2CCN(c3cccc(F)c3F)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001359715578 1064263892 /nfs/dbraw/zinc/26/38/92/1064263892.db2.gz FJWSVIMHDBBPJI-HXUWFJFHSA-N 1 1 460.617 4.661 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2Cc3ccccc3[C@@H]2C)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001545857025 1064265501 /nfs/dbraw/zinc/26/55/01/1064265501.db2.gz NCOUGORGMNBUKJ-SFTDATJTSA-N 1 1 466.674 4.932 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(C)(C)CC2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001545865531 1064273788 /nfs/dbraw/zinc/27/37/88/1064273788.db2.gz DXIJUQPQWZUJFS-QFIPXVFZSA-N 1 1 458.695 4.620 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(C)(c3ccc(C)cc3)CC2)n1CCCn1cc[nH+]c1C ZINC001545865687 1064274192 /nfs/dbraw/zinc/27/41/92/1064274192.db2.gz JEVJTQMFBFKXAC-UHFFFAOYSA-N 1 1 491.684 4.658 20 0 JJADMO CC(C)[C@@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001359728636 1064276436 /nfs/dbraw/zinc/27/64/36/1064276436.db2.gz HOWJFYPIPGEUGG-GOSISDBHSA-N 1 1 477.495 4.793 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001545867436 1064277456 /nfs/dbraw/zinc/27/74/56/1064277456.db2.gz BPYGJFORNGLDGH-YADHBBJMSA-N 1 1 472.722 4.581 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccccc3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001545870232 1064282666 /nfs/dbraw/zinc/28/26/66/1064282666.db2.gz JHETYALOQGEZKX-YADHBBJMSA-N 1 1 480.701 4.701 20 0 JJADMO CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(Br)s2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001359734512 1064293695 /nfs/dbraw/zinc/29/36/95/1064293695.db2.gz VJYBVJSUBWRRMC-MSOLQXFVSA-N 1 1 496.519 4.631 20 0 JJADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001545879702 1064294615 /nfs/dbraw/zinc/29/46/15/1064294615.db2.gz DKBXDXYQIBGGKN-RBBKRZOGSA-N 1 1 451.394 4.636 20 0 JJADMO CC(C)[C@H]1CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001359737614 1064298875 /nfs/dbraw/zinc/29/88/75/1064298875.db2.gz BOLYBORLGBUPOP-FUPPJEDESA-N 1 1 488.721 4.938 20 0 JJADMO CC(C)[C@H]1CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1CCC[NH+]1CCOCC1 ZINC001359737635 1064299738 /nfs/dbraw/zinc/29/97/38/1064299738.db2.gz CIEGMQBNIXFUDS-HXUWFJFHSA-N 1 1 482.456 4.511 20 0 JJADMO CC(C)C1CCN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001359738943 1064304518 /nfs/dbraw/zinc/30/45/18/1064304518.db2.gz HSSBMSBRUBNDIC-UHFFFAOYSA-N 1 1 490.490 4.691 20 0 JJADMO CC(C)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001359739465 1064307327 /nfs/dbraw/zinc/30/73/27/1064307327.db2.gz UUYAGACAFIOZLT-UHFFFAOYSA-N 1 1 473.109 4.745 20 0 JJADMO Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001434880363 1064312975 /nfs/dbraw/zinc/31/29/75/1064312975.db2.gz CBBSMMPXFUXMRL-UGKGYDQZSA-N 1 1 451.014 4.945 20 0 JJADMO CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@H+]2CCC[C@H]2CO)CCS1 ZINC001359747477 1064328160 /nfs/dbraw/zinc/32/81/60/1064328160.db2.gz CJMHSLGWGYUOCG-SIKLNZKXSA-N 1 1 496.096 4.552 20 0 JJADMO CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(C)(C)[NH+]2CCOCC2)CCS1 ZINC001359747623 1064330580 /nfs/dbraw/zinc/33/05/80/1064330580.db2.gz FOGYEXAZZZJKDA-FQEVSTJZSA-N 1 1 498.524 4.941 20 0 JJADMO CCCc1c(C(=O)Nc2ccc(C)c(NC(=O)C[NH+]3CCCCC3)c2)cnn1-c1ccccc1 ZINC001434914880 1064341865 /nfs/dbraw/zinc/34/18/65/1064341865.db2.gz FXMQWRLCSPXCBS-UHFFFAOYSA-N 1 1 459.594 4.810 20 0 JJADMO CC(C)[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CCS1 ZINC001359753359 1064343053 /nfs/dbraw/zinc/34/30/53/1064343053.db2.gz IDCHHCBHLBHJEO-PKTZIBPZSA-N 1 1 485.101 4.798 20 0 JJADMO CC(C)[C@H](SCc1ccccc1)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC001434917603 1064344964 /nfs/dbraw/zinc/34/49/64/1064344964.db2.gz CIAISFHIRGNHBM-VWLOTQADSA-N 1 1 451.636 4.870 20 0 JJADMO CC(C)[C@H]1CN(c2nnc(CC3CCCC3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CCO1 ZINC001359755075 1064346306 /nfs/dbraw/zinc/34/63/06/1064346306.db2.gz RULOZAKEEOPJCM-DHIUTWEWSA-N 1 1 460.066 4.828 20 0 JJADMO CC(C)[C@H]1CN(c2nnc(CC3CCCC3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CCO1 ZINC001359755078 1064346539 /nfs/dbraw/zinc/34/65/39/1064346539.db2.gz RULOZAKEEOPJCM-XZOQPEGZSA-N 1 1 460.066 4.828 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccccc1C[NH+]1CCSCC1)c1ccccc1 ZINC001434921214 1064349033 /nfs/dbraw/zinc/34/90/33/1064349033.db2.gz QBIHWIKDMIPGQU-QFIPXVFZSA-N 1 1 455.624 4.830 20 0 JJADMO CC(C)[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC001359756551 1064354166 /nfs/dbraw/zinc/35/41/66/1064354166.db2.gz UNPBLVUTVNLEPW-KVZCNWPJSA-N 1 1 483.701 4.578 20 0 JJADMO CCCN(C(=O)C1(c2cncc(Br)c2)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001434976519 1064392155 /nfs/dbraw/zinc/39/21/55/1064392155.db2.gz LTAXKLHQFYRKOJ-QFIPXVFZSA-N 1 1 456.428 4.779 20 0 JJADMO Cc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1OCC(F)F ZINC001434992147 1064407397 /nfs/dbraw/zinc/40/73/97/1064407397.db2.gz WTOHRMCBFMVGEM-XZOQPEGZSA-N 1 1 451.517 4.888 20 0 JJADMO CC(C)CC1(Cn2c(-c3cccc(Cl)c3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001359773349 1064411608 /nfs/dbraw/zinc/41/16/08/1064411608.db2.gz MHILSSHZNAHTQC-BGYRXZFFSA-N 1 1 460.066 4.970 20 0 JJADMO CC(C)CC1(Cn2c(-c3cccc(Cl)c3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001359773349 1064411619 /nfs/dbraw/zinc/41/16/19/1064411619.db2.gz MHILSSHZNAHTQC-BGYRXZFFSA-N 1 1 460.066 4.970 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@H](C)c2cc3ccccc3o2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001359775117 1064416407 /nfs/dbraw/zinc/41/64/07/1064416407.db2.gz IVFUHBTWDSFRPJ-LEWJYISDSA-N 1 1 453.631 4.921 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001359775404 1064418088 /nfs/dbraw/zinc/41/80/88/1064418088.db2.gz PAGBWIWRXOBOTG-VXKWHMMOSA-N 1 1 482.673 4.751 20 0 JJADMO CC(C)Cc1nnc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CCC[C@@H]1CCCCO1 ZINC001359777826 1064422217 /nfs/dbraw/zinc/42/22/17/1064422217.db2.gz RUWGVSJBOXEJSY-DQEYMECFSA-N 1 1 453.675 4.927 20 0 JJADMO CC(C)Cc1nnc(N(C)Cc2cc(Br)cs2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001359779648 1064426029 /nfs/dbraw/zinc/42/60/29/1064426029.db2.gz SUTIHEVJQRUPKR-INIZCTEOSA-N 1 1 454.482 4.669 20 0 JJADMO CC(C)Cc1nnc(N(C)CC2CCOCC2)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001359784036 1064435896 /nfs/dbraw/zinc/43/58/96/1064435896.db2.gz PQWMUAKBVHKASG-RDGATRHJSA-N 1 1 453.675 4.640 20 0 JJADMO CC(C)Cc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC001359785224 1064438864 /nfs/dbraw/zinc/43/88/64/1064438864.db2.gz FOHPRYHCOXEKLL-MXVIHJGJSA-N 1 1 460.066 4.796 20 0 JJADMO CC(C)Cc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC001359785224 1064438872 /nfs/dbraw/zinc/43/88/72/1064438872.db2.gz FOHPRYHCOXEKLL-MXVIHJGJSA-N 1 1 460.066 4.796 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCc3ccc(Cl)cc3C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001545888282 1064448390 /nfs/dbraw/zinc/44/83/90/1064448390.db2.gz FWWXBCDGNNPSRL-LJQANCHMSA-N 1 1 487.092 4.533 20 0 JJADMO COC(=O)CSCc1cccc(NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)c1 ZINC001359795140 1064453646 /nfs/dbraw/zinc/45/36/46/1064453646.db2.gz HZINJMBKMUCDMA-LJQANCHMSA-N 1 1 456.608 4.598 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001359798643 1064462309 /nfs/dbraw/zinc/46/23/09/1064462309.db2.gz MHTYYYANEQQLOS-FCHUYYIVSA-N 1 1 490.737 4.871 20 0 JJADMO CC(C)Cc1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001359798903 1064463994 /nfs/dbraw/zinc/46/39/94/1064463994.db2.gz SQINWWUGDTXSBJ-DEOSSOPVSA-N 1 1 481.607 4.528 20 0 JJADMO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC001435048012 1064464629 /nfs/dbraw/zinc/46/46/29/1064464629.db2.gz VIOGIHHRGAZAII-ROUUACIJSA-N 1 1 454.924 4.604 20 0 JJADMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC001435048012 1064464639 /nfs/dbraw/zinc/46/46/39/1064464639.db2.gz VIOGIHHRGAZAII-ROUUACIJSA-N 1 1 454.924 4.604 20 0 JJADMO CC(C)Cc1nnc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001359799162 1064464943 /nfs/dbraw/zinc/46/49/43/1064464943.db2.gz YJZQVIBGPIDMOQ-FGZHOGPDSA-N 1 1 490.737 4.871 20 0 JJADMO CC(C)Cc1nnc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001359800510 1064467918 /nfs/dbraw/zinc/46/79/18/1064467918.db2.gz HPIMBASIFMSBCA-DVECYGJZSA-N 1 1 460.066 4.564 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1CCOc1ncccc1Cl ZINC001359801814 1064469655 /nfs/dbraw/zinc/46/96/55/1064469655.db2.gz BFXLWJFTVSILBS-OAQYLSRUSA-N 1 1 483.060 4.705 20 0 JJADMO COc1ccc(-c2nsc(NC(=O)c3ccccc3OCC[N@H+]3CCCC[C@@H]3C)n2)cc1 ZINC001435054289 1064473053 /nfs/dbraw/zinc/47/30/53/1064473053.db2.gz AUTBCGNYEMJANL-KRWDZBQOSA-N 1 1 452.580 4.719 20 0 JJADMO CC(C)Cc1nnc(N2CCC(c3ccnn3C)CC2)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001359804908 1064473507 /nfs/dbraw/zinc/47/35/07/1064473507.db2.gz HMJQXXCTXNNAMB-QFIPXVFZSA-N 1 1 463.674 4.505 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001359807747 1064478141 /nfs/dbraw/zinc/47/81/41/1064478141.db2.gz BYDPMUSFFCEKIV-VWNXMTODSA-N 1 1 498.716 4.690 20 0 JJADMO CC(C)Cc1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1C[C@@](C)(O)c1cccs1 ZINC001359808873 1064481582 /nfs/dbraw/zinc/48/15/82/1064481582.db2.gz YVCGHSDQTZRVNT-HFZDXXHNSA-N 1 1 473.731 4.927 20 0 JJADMO CC(C)Cc1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001359811304 1064486585 /nfs/dbraw/zinc/48/65/85/1064486585.db2.gz KEWMQIKNCHZLKE-HXUWFJFHSA-N 1 1 462.086 4.536 20 0 JJADMO CC(C)Cc1nnc(N2CCC(O)(c3ccccc3)CC2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359815672 1064497123 /nfs/dbraw/zinc/49/71/23/1064497123.db2.gz RTTALELJSQEYRF-PSWAGMNNSA-N 1 1 467.702 4.723 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@@H](OCc3ccccc3)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001359817374 1064500089 /nfs/dbraw/zinc/50/00/89/1064500089.db2.gz CCPGWOBVPDAMGT-ISKFKSNPSA-N 1 1 453.675 4.783 20 0 JJADMO CC(C)Cc1nnc(N2CCC(OC[C@H]3CCCCO3)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001359817506 1064500739 /nfs/dbraw/zinc/50/07/39/1064500739.db2.gz FYMFHCVXWZMTGW-LADGPHEKSA-N 1 1 475.722 4.542 20 0 JJADMO Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1c[nH+]ccc1-n1cccn1 ZINC001435083136 1064505102 /nfs/dbraw/zinc/50/51/02/1064505102.db2.gz BECHPBDXUPTSPC-UHFFFAOYSA-N 1 1 455.902 4.934 20 0 JJADMO CC(C)Cc1nnc(N2CCc3nc(C(F)(F)F)ncc3C2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001359825937 1064508275 /nfs/dbraw/zinc/50/82/75/1064508275.db2.gz MELOIXWIUAKRMT-GOSISDBHSA-N 1 1 479.595 4.503 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]32)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001359826729 1064508881 /nfs/dbraw/zinc/50/88/81/1064508881.db2.gz UCZDSJMSNBFGKH-UMXIMWEHSA-N 1 1 496.700 4.696 20 0 JJADMO CC(C)Cc1nnc(N2CC[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]32)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001359826729 1064508899 /nfs/dbraw/zinc/50/88/99/1064508899.db2.gz UCZDSJMSNBFGKH-UMXIMWEHSA-N 1 1 496.700 4.696 20 0 JJADMO CC(C)Cc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001359835395 1064522760 /nfs/dbraw/zinc/52/27/60/1064522760.db2.gz WDZBSPCZEHMHPG-YADHBBJMSA-N 1 1 479.591 4.689 20 0 JJADMO CC(C)Cc1nnc(N2CCCC3(CCOCC3)C2)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001359838537 1064525343 /nfs/dbraw/zinc/52/53/43/1064525343.db2.gz DFQIVZZBKKUQKU-QHCPKHFHSA-N 1 1 453.675 4.784 20 0 JJADMO CC(C)Cc1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001359840988 1064527665 /nfs/dbraw/zinc/52/76/65/1064527665.db2.gz XSPVBQYRLJZQLK-UHFFFAOYSA-N 1 1 486.749 4.750 20 0 JJADMO CC(C)Cc1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1Cc1cccnc1OCC(F)F ZINC001359850807 1064537858 /nfs/dbraw/zinc/53/78/58/1064537858.db2.gz XJLNRLNEPZDDGU-GOSISDBHSA-N 1 1 490.624 4.509 20 0 JJADMO CC(C)Cc1nnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001359851816 1064538838 /nfs/dbraw/zinc/53/88/38/1064538838.db2.gz FZUCVNUHZUPXFX-RTWAWAEBSA-N 1 1 492.634 4.942 20 0 JJADMO CC(C)Cc1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CCCO[C@H](C)c1ccccc1 ZINC001359855802 1064543499 /nfs/dbraw/zinc/54/34/99/1064543499.db2.gz SFQGOMBVNWSXEY-XZOQPEGZSA-N 1 1 453.675 4.955 20 0 JJADMO CC(C)Cc1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1C[C@H](c1cccnc1)C(C)C ZINC001359860526 1064549781 /nfs/dbraw/zinc/54/97/81/1064549781.db2.gz IQCQSAUGFTYTKA-VWLOTQADSA-N 1 1 464.633 4.773 20 0 JJADMO CC(C)Cc1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CCc1ccc(F)cc1Cl ZINC001359861047 1064550095 /nfs/dbraw/zinc/55/00/95/1064550095.db2.gz LJUJFNDIDUXGMB-UHFFFAOYSA-N 1 1 462.038 4.896 20 0 JJADMO CC(C)Cc1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001359861318 1064550688 /nfs/dbraw/zinc/55/06/88/1064550688.db2.gz RCFBIMVGLYNSFV-RSXGOPAZSA-N 1 1 466.718 4.555 20 0 JJADMO CC(C)Cc1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001359861318 1064550704 /nfs/dbraw/zinc/55/07/04/1064550704.db2.gz RCFBIMVGLYNSFV-RSXGOPAZSA-N 1 1 466.718 4.555 20 0 JJADMO CC(C)Cc1nnc(N2CCN(Cc3cccs3)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001359861278 1064551281 /nfs/dbraw/zinc/55/12/81/1064551281.db2.gz QCOHCYIVEIXDLY-JOCHJYFZSA-N 1 1 458.720 4.515 20 0 JJADMO CC(C)Cc1nnc(N2CCN(Cc3cccc(Cl)c3)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359861379 1064552437 /nfs/dbraw/zinc/55/24/37/1064552437.db2.gz TVTPFGAOAYRXCB-ZRZAMGCNSA-N 1 1 487.136 4.820 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001359864222 1064554001 /nfs/dbraw/zinc/55/40/01/1064554001.db2.gz IFDMZPDRDYGSOG-UNWVZKJWSA-N 1 1 459.704 4.873 20 0 JJADMO CC(C)C[C@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1)C(=O)OC(C)C ZINC001435160580 1064557022 /nfs/dbraw/zinc/55/70/22/1064557022.db2.gz VFOSBTMOYOXAGL-CERRFVOPSA-N 1 1 450.623 4.559 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@@](C)(c3ccccc3)C2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001359866398 1064557578 /nfs/dbraw/zinc/55/75/78/1064557578.db2.gz QLECMTSTLRHRSV-YIXXDRMTSA-N 1 1 453.675 4.883 20 0 JJADMO CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(F)c3)C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001359866503 1064558058 /nfs/dbraw/zinc/55/80/58/1064558058.db2.gz SQIALRKTAOFJHF-ZJSXRUAMSA-N 1 1 457.638 4.562 20 0 JJADMO CC(C)C[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001359877954 1064568492 /nfs/dbraw/zinc/56/84/92/1064568492.db2.gz FGZLDPUMIYZFKB-LJQANCHMSA-N 1 1 490.490 4.691 20 0 JJADMO CC(C)C[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001359878736 1064570153 /nfs/dbraw/zinc/57/01/53/1064570153.db2.gz MNISABLYMLWHTB-SLSDLSHTSA-N 1 1 487.664 4.786 20 0 JJADMO CC(C)C[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001359879308 1064571949 /nfs/dbraw/zinc/57/19/49/1064571949.db2.gz SWDCXFZONADIPN-GOSISDBHSA-N 1 1 477.495 4.793 20 0 JJADMO CN(C(=O)c1ccc(NC(=O)CC2(CSc3ccccc3)CC2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001435190227 1064579524 /nfs/dbraw/zinc/57/95/24/1064579524.db2.gz WAPNSZACGZNQQN-JOCHJYFZSA-N 1 1 451.636 4.754 20 0 JJADMO CC(C)C[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001359887834 1064584643 /nfs/dbraw/zinc/58/46/43/1064584643.db2.gz YOOZCSAXKGNLSJ-NRFANRHFSA-N 1 1 457.638 4.991 20 0 JJADMO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001435207472 1064592137 /nfs/dbraw/zinc/59/21/37/1064592137.db2.gz QCPDCQQSFCYOLK-IBGZPJMESA-N 1 1 451.014 4.808 20 0 JJADMO CC(C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001359901716 1064611284 /nfs/dbraw/zinc/61/12/84/1064611284.db2.gz ANFCXXOZLLFTPH-UHFFFAOYSA-N 1 1 489.437 4.933 20 0 JJADMO C[C@H](NC(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435253591 1064630159 /nfs/dbraw/zinc/63/01/59/1064630159.db2.gz KYPKOVBXBGTWSF-XDHUDOTRSA-N 1 1 454.492 4.790 20 0 JJADMO C[C@H](NC(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435253591 1064630166 /nfs/dbraw/zinc/63/01/66/1064630166.db2.gz KYPKOVBXBGTWSF-XDHUDOTRSA-N 1 1 454.492 4.790 20 0 JJADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1cc2cc(Br)ccc2s1 ZINC001435254717 1064631743 /nfs/dbraw/zinc/63/17/43/1064631743.db2.gz UQDQDUVWLVYZGW-INIZCTEOSA-N 1 1 458.425 4.604 20 0 JJADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1cccnc1SCC1CCCCC1 ZINC001435255343 1064632575 /nfs/dbraw/zinc/63/25/75/1064632575.db2.gz WNSSTRLWQFWDBI-NRFANRHFSA-N 1 1 452.668 4.695 20 0 JJADMO CC(C)CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001359914272 1064633885 /nfs/dbraw/zinc/63/38/85/1064633885.db2.gz DXRKZVKMTZXCJT-ROUUACIJSA-N 1 1 465.484 4.649 20 0 JJADMO CC(C)CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001359915094 1064636498 /nfs/dbraw/zinc/63/64/98/1064636498.db2.gz YWSALOYZSABKKJ-MRXNPFEDSA-N 1 1 484.870 4.564 20 0 JJADMO C[N@H+]1CCC[C@@H](CNC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)[C@@H]1c1cccs1 ZINC001435261629 1064637584 /nfs/dbraw/zinc/63/75/84/1064637584.db2.gz PLWYUOXGIZPQML-FQQJKYKHSA-N 1 1 459.700 4.893 20 0 JJADMO CC(C)CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001359921550 1064647917 /nfs/dbraw/zinc/64/79/17/1064647917.db2.gz LRLMCAODKHYPJJ-VSKRKVRLSA-N 1 1 476.710 4.953 20 0 JJADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c(C)nc(-c2ccco2)nc1SC ZINC001435270193 1064648493 /nfs/dbraw/zinc/64/84/93/1064648493.db2.gz BSCYZMWLKQFUTO-FQEVSTJZSA-N 1 1 450.608 4.751 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCc3cccc(F)c3[C@@H]2C)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545890145 1064679894 /nfs/dbraw/zinc/67/98/94/1064679894.db2.gz RPRGSRHRBWFEGS-HBMCJLEFSA-N 1 1 498.691 4.827 20 0 JJADMO CC(C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001359944405 1064691708 /nfs/dbraw/zinc/69/17/08/1064691708.db2.gz SBVDJRQWYCYMKJ-QFIPXVFZSA-N 1 1 483.701 4.890 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(-c2cccc(Br)c2)no1 ZINC001435339314 1064709424 /nfs/dbraw/zinc/70/94/24/1064709424.db2.gz MZNAQRXZWVGSHP-OXQOHEQNSA-N 1 1 454.368 4.745 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CCCC3(C)C)n2CC[N@@H+]2CCOCC2(C)C)cc1 ZINC001359951655 1064710702 /nfs/dbraw/zinc/71/07/02/1064710702.db2.gz AWHUOIDWEUKFFO-UHFFFAOYSA-N 1 1 469.674 4.860 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CCCC3(C)C)n2CC[N@H+]2CCOCC2(C)C)cc1 ZINC001359951655 1064710715 /nfs/dbraw/zinc/71/07/15/1064710715.db2.gz AWHUOIDWEUKFFO-UHFFFAOYSA-N 1 1 469.674 4.860 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CC[C@H](C)[C@@H](C)C3)n2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC001359952142 1064713669 /nfs/dbraw/zinc/71/36/69/1064713669.db2.gz NVKVANRFTOYKIS-RJGXRXQPSA-N 1 1 469.674 4.573 20 0 JJADMO CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001359952456 1064715020 /nfs/dbraw/zinc/71/50/20/1064715020.db2.gz WLPSQFJZRXLRAM-RBBKRZOGSA-N 1 1 491.627 4.572 20 0 JJADMO COc1ccccc1-c1noc([C@H](C)NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)n1 ZINC001435351228 1064717218 /nfs/dbraw/zinc/71/72/18/1064717218.db2.gz YWFBDCFYXAALKJ-IBGZPJMESA-N 1 1 456.546 4.868 20 0 JJADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)Cc2cccc(OCc3ccccc3Cl)c2)cc1 ZINC001435352628 1064718553 /nfs/dbraw/zinc/71/85/53/1064718553.db2.gz PSPYUIKKVBWYAG-UHFFFAOYSA-N 1 1 451.954 4.600 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC001435357363 1064721762 /nfs/dbraw/zinc/72/17/62/1064721762.db2.gz JHAHWAQSFPVGQF-JMUQELJHSA-N 1 1 450.558 4.847 20 0 JJADMO Cc1nc(CC(F)(F)F)sc1CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001435360553 1064724246 /nfs/dbraw/zinc/72/42/46/1064724246.db2.gz MDSDWRBBTFTUBK-QFIPXVFZSA-N 1 1 451.558 4.614 20 0 JJADMO COc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)sc1Br ZINC001359956825 1064724979 /nfs/dbraw/zinc/72/49/79/1064724979.db2.gz ABCHURLVRYNXHK-HNNXBMFYSA-N 1 1 457.821 4.957 20 0 JJADMO COc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)sc1Br ZINC001359956825 1064724993 /nfs/dbraw/zinc/72/49/93/1064724993.db2.gz ABCHURLVRYNXHK-HNNXBMFYSA-N 1 1 457.821 4.957 20 0 JJADMO C[C@H]1C[C@H](NC(=O)c2cc(-c3cccc(Br)c3)no2)CC[N@H+]1Cc1ccccc1 ZINC001435379783 1064731209 /nfs/dbraw/zinc/73/12/09/1064731209.db2.gz TZVSKFZLEZJIBT-OXJNMPFZSA-N 1 1 454.368 4.887 20 0 JJADMO CC(C)CCOCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001359966982 1064742006 /nfs/dbraw/zinc/74/20/06/1064742006.db2.gz IPCREKWZPSMGAF-VXNXHJTFSA-N 1 1 461.695 4.673 20 0 JJADMO CC(C)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359971068 1064747488 /nfs/dbraw/zinc/74/74/88/1064747488.db2.gz MHIJHEJRFUTMEG-HDICACEKSA-N 1 1 465.484 4.886 20 0 JJADMO CN(C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001435448905 1064763597 /nfs/dbraw/zinc/76/35/97/1064763597.db2.gz GQTBYPCHOGSXTD-LJQANCHMSA-N 1 1 457.496 4.913 20 0 JJADMO CC[C@H](NC(=O)c1ccc(Br)c(Cl)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435453902 1064765565 /nfs/dbraw/zinc/76/55/65/1064765565.db2.gz AUBRYEBTQANPCG-VQTJNVASSA-N 1 1 451.792 4.512 20 0 JJADMO CC[C@H](NC(=O)c1ccc(Br)c(Cl)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435453902 1064765573 /nfs/dbraw/zinc/76/55/73/1064765573.db2.gz AUBRYEBTQANPCG-VQTJNVASSA-N 1 1 451.792 4.512 20 0 JJADMO CC[C@@H](NC(=O)Cc1csc([C@H]2CC[C@H](C)CC2)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435454332 1064765775 /nfs/dbraw/zinc/76/57/75/1064765775.db2.gz CFUOQJDVEOFKIR-LPHRJVMESA-N 1 1 455.668 4.775 20 0 JJADMO CC[C@@H](NC(=O)Cc1csc([C@H]2CC[C@H](C)CC2)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435454332 1064765787 /nfs/dbraw/zinc/76/57/87/1064765787.db2.gz CFUOQJDVEOFKIR-LPHRJVMESA-N 1 1 455.668 4.775 20 0 JJADMO CC[C@H](NC(=O)C(F)(F)c1cccc(Cl)c1Cl)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435456398 1064767044 /nfs/dbraw/zinc/76/70/44/1064767044.db2.gz NOJMXBMCPMEONN-OALUTQOASA-N 1 1 457.348 4.881 20 0 JJADMO CC[C@H](NC(=O)C(F)(F)c1cccc(Cl)c1Cl)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435456398 1064767052 /nfs/dbraw/zinc/76/70/52/1064767052.db2.gz NOJMXBMCPMEONN-OALUTQOASA-N 1 1 457.348 4.881 20 0 JJADMO CC[C@@H](NC(=O)C(F)(F)c1cccc(Cl)c1Cl)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435456397 1064767290 /nfs/dbraw/zinc/76/72/90/1064767290.db2.gz NOJMXBMCPMEONN-MOPGFXCFSA-N 1 1 457.348 4.881 20 0 JJADMO CC[C@@H](NC(=O)C(F)(F)c1cccc(Cl)c1Cl)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435456397 1064767306 /nfs/dbraw/zinc/76/73/06/1064767306.db2.gz NOJMXBMCPMEONN-MOPGFXCFSA-N 1 1 457.348 4.881 20 0 JJADMO CC[C@H](NC(=O)c1cc2ccccc2n1CC(F)(F)F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435455653 1064767354 /nfs/dbraw/zinc/76/73/54/1064767354.db2.gz KDMJWGUVRDLGSF-REWPJTCUSA-N 1 1 459.512 4.613 20 0 JJADMO CC[C@H](NC(=O)c1cc2ccccc2n1CC(F)(F)F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435455653 1064767368 /nfs/dbraw/zinc/76/73/68/1064767368.db2.gz KDMJWGUVRDLGSF-REWPJTCUSA-N 1 1 459.512 4.613 20 0 JJADMO CC(C)CN(c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C)C1CCCC1 ZINC001359989432 1064770415 /nfs/dbraw/zinc/77/04/15/1064770415.db2.gz LPKCVZILZAINOE-YADHBBJMSA-N 1 1 473.065 4.591 20 0 JJADMO CC(C)CN(c1nnc(CCc2ccccc2)n1CC(C)(C)[NH+]1CCOCC1)C1CCCC1 ZINC001359991938 1064773982 /nfs/dbraw/zinc/77/39/82/1064773982.db2.gz KEMSKWLMFFJSIQ-UHFFFAOYSA-N 1 1 453.675 4.579 20 0 JJADMO CC(C)CN(c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1)C(C)C ZINC001359993034 1064776263 /nfs/dbraw/zinc/77/62/63/1064776263.db2.gz KIWXRWSGMAUYMR-HXUWFJFHSA-N 1 1 474.719 4.651 20 0 JJADMO COc1cc(OC)c(OC)cc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001435481984 1064782826 /nfs/dbraw/zinc/78/28/26/1064782826.db2.gz HRJZEZVEKZQESC-XZOQPEGZSA-N 1 1 460.574 4.875 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@@H](C)c2ccccc2)C1 ZINC001360007380 1064794794 /nfs/dbraw/zinc/79/47/94/1064794794.db2.gz BWSVYVBUABOMMK-DHIUTWEWSA-N 1 1 489.668 4.533 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(C)C)nnc2N(C)Cc2cnn(Cc3ccccc3)c2)C1 ZINC001360007689 1064795457 /nfs/dbraw/zinc/79/54/57/1064795457.db2.gz GDNBSOMOHXALGY-XMMPIXPASA-N 1 1 463.674 4.651 20 0 JJADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCOC[C@@H]2C)C1 ZINC001360007849 1064795751 /nfs/dbraw/zinc/79/57/51/1064795751.db2.gz HHZISFWEGFMFIX-FCHUYYIVSA-N 1 1 453.675 4.836 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@@H]2CCCOC2)C1 ZINC001360008109 1064796038 /nfs/dbraw/zinc/79/60/38/1064796038.db2.gz KYPHAQIUASZKDY-PMACEKPBSA-N 1 1 478.056 4.968 20 0 JJADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(C(C)C)nnc2N2CCC[C@H](c3noc(C(C)C)n3)C2)C1 ZINC001360008330 1064797247 /nfs/dbraw/zinc/79/72/47/1064797247.db2.gz PLAITASXSNUNNO-SFTDATJTSA-N 1 1 457.667 4.660 20 0 JJADMO 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CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccncc2Cl)CC1 ZINC001360095645 1064970259 /nfs/dbraw/zinc/97/02/59/1064970259.db2.gz MRGMKIWPQWITFI-FYYLOGMGSA-N 1 1 489.108 4.850 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCSC(F)(F)F)CC1 ZINC001360096024 1064971811 /nfs/dbraw/zinc/97/18/11/1064971811.db2.gz VGKBBBPGNXEMLF-UHFFFAOYSA-N 1 1 473.584 4.818 20 0 JJADMO CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435749361 1064972300 /nfs/dbraw/zinc/97/23/00/1064972300.db2.gz MOPJGCZEYRLCQJ-YHEJKZAPSA-N 1 1 457.981 4.926 20 0 JJADMO C[N@H+]1CC[C@H](CNC(=O)Cc2csc(Cc3ccccc3)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435749530 1064973218 /nfs/dbraw/zinc/97/32/18/1064973218.db2.gz NSWDWOJUALHIMO-HOYKHHGWSA-N 1 1 458.002 4.878 20 0 JJADMO Cc1cc(Br)c(CC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC001435749998 1064973760 /nfs/dbraw/zinc/97/37/60/1064973760.db2.gz WPFBHIMJYSQTOG-DJJJIMSYSA-N 1 1 459.812 4.963 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H]2CC[C@@H]21 ZINC001360097867 1064976581 /nfs/dbraw/zinc/97/65/81/1064976581.db2.gz SJQSVMAIOFUHND-UZLBHIALSA-N 1 1 464.427 4.956 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(-c2cn(C)c3ccccc23)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001360098414 1064978187 /nfs/dbraw/zinc/97/81/87/1064978187.db2.gz RFZQUHMMASWQNV-UHFFFAOYSA-N 1 1 452.647 4.561 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC1CCCC1 ZINC001360100724 1064979948 /nfs/dbraw/zinc/97/99/48/1064979948.db2.gz TYLXRVOECATXEZ-UHFFFAOYSA-N 1 1 476.710 4.749 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001360101685 1064981695 /nfs/dbraw/zinc/98/16/95/1064981695.db2.gz XPSLSDYKGLOBGP-UHFFFAOYSA-N 1 1 462.976 4.562 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001360101496 1064981805 /nfs/dbraw/zinc/98/18/05/1064981805.db2.gz QRVCMEDTILHPPE-UHFFFAOYSA-N 1 1 455.956 4.951 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1ccc(Br)cc1 ZINC001360103343 1064983418 /nfs/dbraw/zinc/98/34/18/1064983418.db2.gz ILMCAEXYOPILCV-GOSISDBHSA-N 1 1 494.388 4.958 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](c2cccc(F)c2)C1 ZINC001360103796 1064983930 /nfs/dbraw/zinc/98/39/30/1064983930.db2.gz YCISTUQDJVZUAA-TZRRMPRUSA-N 1 1 487.664 4.644 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001360104000 1064984853 /nfs/dbraw/zinc/98/48/53/1064984853.db2.gz GVBQKLQJEPJPNW-INIZCTEOSA-N 1 1 487.979 4.921 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001360104001 1064984956 /nfs/dbraw/zinc/98/49/56/1064984956.db2.gz GVBQKLQJEPJPNW-MRXNPFEDSA-N 1 1 487.979 4.921 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC2(C1)CCC(F)(F)CC2 ZINC001360104093 1064984977 /nfs/dbraw/zinc/98/49/77/1064984977.db2.gz JRUQRTGMXMLZIJ-UHFFFAOYSA-N 1 1 499.448 4.792 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 ZINC001360103957 1064985144 /nfs/dbraw/zinc/98/51/44/1064985144.db2.gz FLDLYSQSTSHSPJ-UHFFFAOYSA-N 1 1 487.092 4.604 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001360104182 1064985186 /nfs/dbraw/zinc/98/51/86/1064985186.db2.gz MBCJVVOMRFDJLX-UHFFFAOYSA-N 1 1 477.838 4.733 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@H]1CCCOC1 ZINC001360104579 1064985759 /nfs/dbraw/zinc/98/57/59/1064985759.db2.gz ULMVMCABTUHIOT-MRXNPFEDSA-N 1 1 484.870 4.564 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC001360106445 1064987795 /nfs/dbraw/zinc/98/77/95/1064987795.db2.gz DALKEURCFLTFAW-FQEVSTJZSA-N 1 1 485.007 4.572 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001360106966 1064988684 /nfs/dbraw/zinc/98/86/84/1064988684.db2.gz XWIYURZYSLNKJE-OAQYLSRUSA-N 1 1 468.671 4.617 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 ZINC001360107038 1064989753 /nfs/dbraw/zinc/98/97/53/1064989753.db2.gz ZXUBGBKELDIUPI-JOCHJYFZSA-N 1 1 483.701 4.605 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H](C)c1cccs1 ZINC001360110314 1064991460 /nfs/dbraw/zinc/99/14/60/1064991460.db2.gz PCSMPUMJKZHGLO-LJQANCHMSA-N 1 1 490.718 4.992 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001360109845 1064991549 /nfs/dbraw/zinc/99/15/49/1064991549.db2.gz JPPVDCYVELQPKF-JTHBVZDNSA-N 1 1 488.721 4.749 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(Cc2ccsc2)nnc1N(C)Cc1cccc(Br)c1 ZINC001360110207 1064991641 /nfs/dbraw/zinc/99/16/41/1064991641.db2.gz LZQGRMLOPOLMDQ-UHFFFAOYSA-N 1 1 462.461 4.670 20 0 JJADMO CC(C)[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1Cc2ccoc2CC(C)(C)C1 ZINC001360112750 1064994204 /nfs/dbraw/zinc/99/42/04/1064994204.db2.gz KZWWVSCQULNNPS-UHFFFAOYSA-N 1 1 455.578 4.518 20 0 JJADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 ZINC001360113925 1064996234 /nfs/dbraw/zinc/99/62/34/1064996234.db2.gz SUIGXGASKSLXKA-TUACAJSNSA-N 1 1 471.690 4.700 20 0 JJADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001360114014 1064997350 /nfs/dbraw/zinc/99/73/50/1064997350.db2.gz WQFYOWOIYIZTHQ-RTBURBONSA-N 1 1 459.601 4.706 20 0 JJADMO CCN(C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001435810419 1065003966 /nfs/dbraw/zinc/00/39/66/1065003966.db2.gz ZASLCYDWXDVINR-QFIPXVFZSA-N 1 1 456.512 4.936 20 0 JJADMO CC(C)N(Cc1ccco1)c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001360118424 1065004531 /nfs/dbraw/zinc/00/45/31/1065004531.db2.gz HQKURCUTIMYTKD-UHFFFAOYSA-N 1 1 458.006 4.717 20 0 JJADMO C[C@@H](NC(=O)Cc1ccc(Br)c(Br)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001435852448 1065024065 /nfs/dbraw/zinc/02/40/65/1065024065.db2.gz OUFCTGHCGPNYOA-HIFRSBDPSA-N 1 1 458.238 4.523 20 0 JJADMO C[C@H](NC(=O)Cc1ccc(Br)c(Br)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001435852446 1065024300 /nfs/dbraw/zinc/02/43/00/1065024300.db2.gz OUFCTGHCGPNYOA-DZGCQCFKSA-N 1 1 458.238 4.523 20 0 JJADMO COc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)c(OCCC(C)C)c1 ZINC001435864919 1065032640 /nfs/dbraw/zinc/03/26/40/1065032640.db2.gz HFMANNVQIJBEMC-RPBOFIJWSA-N 1 1 459.675 4.529 20 0 JJADMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccccc3CCN(C)C(=O)OC(C)(C)C)sc2C1 ZINC001435866727 1065033858 /nfs/dbraw/zinc/03/38/58/1065033858.db2.gz XNMAHIUYTLHMCC-UHFFFAOYSA-N 1 1 458.628 4.571 20 0 JJADMO CC(C)[N@H+]1CCc2nc(NC(=O)c3ccccc3CCN(C)C(=O)OC(C)(C)C)sc2C1 ZINC001435866727 1065033871 /nfs/dbraw/zinc/03/38/71/1065033871.db2.gz XNMAHIUYTLHMCC-UHFFFAOYSA-N 1 1 458.628 4.571 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)[C@@H](C)c2ccccc2F)C1 ZINC001360140454 1065037439 /nfs/dbraw/zinc/03/74/39/1065037439.db2.gz DONHWWDRGZEZMA-LEWJYISDSA-N 1 1 450.606 4.721 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(CCc3ccccc3)nnc2N(C)Cc2cc(Cl)ccn2)C1 ZINC001360140370 1065037832 /nfs/dbraw/zinc/03/78/32/1065037832.db2.gz CLBNZHKAFRUBHF-JOCHJYFZSA-N 1 1 467.061 4.869 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@H](C)c2ccccc2)C1 ZINC001360140544 1065038106 /nfs/dbraw/zinc/03/81/06/1065038106.db2.gz GHARBGUMTYDFTH-RTWAWAEBSA-N 1 1 480.682 4.587 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCOC(C)(C)[C@@H]2C)C1 ZINC001360140703 1065038465 /nfs/dbraw/zinc/03/84/65/1065038465.db2.gz IZOJLGYBKPUWIG-FPOVZHCZSA-N 1 1 460.066 4.646 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCCC2(C)C)C1 ZINC001360140605 1065038510 /nfs/dbraw/zinc/03/85/10/1065038510.db2.gz HIYIBWNCYZXVGF-PCCBWWKXSA-N 1 1 474.694 4.548 20 0 JJADMO O=C(CCCOc1ccc(Cl)cc1Cl)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC001435875725 1065038706 /nfs/dbraw/zinc/03/87/06/1065038706.db2.gz MNESJVIYQGATDA-LJQANCHMSA-N 1 1 453.435 4.886 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2cccc(OC(F)F)c2)C1 ZINC001360140843 1065039131 /nfs/dbraw/zinc/03/91/31/1065039131.db2.gz JPFNLLLLAADMSJ-UNMCSNQZSA-N 1 1 477.600 4.878 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)c2ccccc2F)C1 ZINC001360140716 1065039158 /nfs/dbraw/zinc/03/91/58/1065039158.db2.gz JEVYVUJOTJILGO-IRLDBZIGSA-N 1 1 450.606 4.721 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(Cc3ccsc3)nnc2N(C)CCc2ccccc2F)C1 ZINC001360141610 1065040536 /nfs/dbraw/zinc/04/05/36/1065040536.db2.gz QRQXDWKJFBGEFR-OAQYLSRUSA-N 1 1 455.647 4.869 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)C1 ZINC001360141962 1065041146 /nfs/dbraw/zinc/04/11/46/1065041146.db2.gz UDIDEKLSQNKZIF-AUSIDOKSSA-N 1 1 499.647 4.581 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N2CCC[C@H](OC(C)(C)C)C2)C1 ZINC001360142151 1065041569 /nfs/dbraw/zinc/04/15/69/1065041569.db2.gz UKLVHZKHSMCXTJ-VXKWHMMOSA-N 1 1 459.704 4.835 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](Cn2c(COc3ccc(Br)cc3)nnc2N2CCC[C@@H]2C)C1 ZINC001360142485 1065042302 /nfs/dbraw/zinc/04/23/02/1065042302.db2.gz XIWDEIJYZYBJTF-OALUTQOASA-N 1 1 476.463 4.729 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cccc(Br)c3)n2CCCC2CCOCC2)CC1 ZINC001360143221 1065043077 /nfs/dbraw/zinc/04/30/77/1065043077.db2.gz BPDMYMBUDYLYSJ-UHFFFAOYSA-N 1 1 490.490 4.835 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Br)s3)n2Cc2cccs2)CC1 ZINC001360143324 1065043844 /nfs/dbraw/zinc/04/38/44/1065043844.db2.gz DTBKAQFVKSOBKL-UHFFFAOYSA-N 1 1 466.474 4.799 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CC[C@H]2CCCCO2)CC1 ZINC001360143583 1065044341 /nfs/dbraw/zinc/04/43/41/1065044341.db2.gz ITXGPDHORMDGDV-OAQYLSRUSA-N 1 1 476.463 4.587 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccccc2Cl)CC1 ZINC001360143595 1065044449 /nfs/dbraw/zinc/04/44/49/1065044449.db2.gz JCIFMBDOMWGUIG-UHFFFAOYSA-N 1 1 477.838 4.658 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@H]2CC=CCO2)CC1 ZINC001360144180 1065045372 /nfs/dbraw/zinc/04/53/72/1065045372.db2.gz WFCGESADEHHVBT-GOSISDBHSA-N 1 1 494.865 4.627 20 0 JJADMO O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001435888828 1065046021 /nfs/dbraw/zinc/04/60/21/1065046021.db2.gz FYMMTYSKGGMBJZ-TUNPGAEXSA-N 1 1 452.904 4.693 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(C3CCCC3)n2Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC001360146274 1065048145 /nfs/dbraw/zinc/04/81/45/1065048145.db2.gz HRVVWZRECTUPLJ-UHFFFAOYSA-N 1 1 465.564 4.846 20 0 JJADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CCC[C@@H]2C)CC1 ZINC001360147304 1065049932 /nfs/dbraw/zinc/04/99/32/1065049932.db2.gz PSHVFSZVPKMKJJ-MHECFPHRSA-N 1 1 496.483 4.636 20 0 JJADMO O=C(NC[C@H](c1ccccc1)C(F)(F)F)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001435951831 1065078403 /nfs/dbraw/zinc/07/84/03/1065078403.db2.gz UDJWMIFXPOEHRD-NJDAHSKKSA-N 1 1 459.537 4.821 20 0 JJADMO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1oc2ccccc2c1CSc1ccccc1F ZINC001435969069 1065086271 /nfs/dbraw/zinc/08/62/71/1065086271.db2.gz WLZAHTVDUQSKOK-GOSISDBHSA-N 1 1 455.599 4.620 20 0 JJADMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC001435993124 1065097799 /nfs/dbraw/zinc/09/77/99/1065097799.db2.gz AIAXUOFCWCHNAT-QFIPXVFZSA-N 1 1 455.400 4.521 20 0 JJADMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC001435995113 1065098751 /nfs/dbraw/zinc/09/87/51/1065098751.db2.gz OBSKZQRGNMYMKC-HSZRJFAPSA-N 1 1 452.549 4.526 20 0 JJADMO Cc1c(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001435995073 1065098891 /nfs/dbraw/zinc/09/88/91/1065098891.db2.gz GVHYLAURFFLJFD-QHCPKHFHSA-N 1 1 456.512 4.840 20 0 JJADMO COc1ccc(CCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1Br ZINC001436014095 1065112225 /nfs/dbraw/zinc/11/22/25/1065112225.db2.gz DCPXTSUCPISCCX-JOCHJYFZSA-N 1 1 459.428 4.807 20 0 JJADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC001436016607 1065115200 /nfs/dbraw/zinc/11/52/00/1065115200.db2.gz DONKYEKADKJYOA-NRFANRHFSA-N 1 1 456.512 4.922 20 0 JJADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c1 ZINC001436020141 1065118035 /nfs/dbraw/zinc/11/80/35/1065118035.db2.gz BNCKAPVNRZPXCN-HHHXNRCGSA-N 1 1 451.611 4.696 20 0 JJADMO CC(C)OC(=O)NCc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1 ZINC001360307327 1065142619 /nfs/dbraw/zinc/14/26/19/1065142619.db2.gz NBEHUCJUXKJQLA-DHIUTWEWSA-N 1 1 478.618 4.632 20 0 JJADMO CC(C)O[C@]1(c2nnc(N3CC[C@H](C(C)C)C3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CCOC1 ZINC001360335200 1065180602 /nfs/dbraw/zinc/18/06/02/1065180602.db2.gz ACUCZRCIXROECK-VAPDBKPJSA-N 1 1 490.092 4.757 20 0 JJADMO CC(C)O[C@]1(c2nnc(N3CCC(C(C)C)CC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CCOC1 ZINC001360335569 1065182816 /nfs/dbraw/zinc/18/28/16/1065182816.db2.gz GITJAEDODRVGHB-NEKDWFFYSA-N 1 1 483.701 4.712 20 0 JJADMO CC(C)O[C@]1(c2nnc(N3CCC(CC[N@H+]4CCCC[C@H]4C)CC3)n2CCC(C)(F)F)CCOC1 ZINC001360338289 1065186946 /nfs/dbraw/zinc/18/69/46/1065186946.db2.gz ATKGQNWKPWGJFG-QFQXNSOFSA-N 1 1 497.675 4.845 20 0 JJADMO CC(C)OC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001360364250 1065221602 /nfs/dbraw/zinc/22/16/02/1065221602.db2.gz MFDYDTDNBBWIBU-FQEVSTJZSA-N 1 1 493.494 4.550 20 0 JJADMO CC(C)OCCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001360377166 1065238132 /nfs/dbraw/zinc/23/81/32/1065238132.db2.gz ZGCMZROYYUHGTJ-IRXDYDNUSA-N 1 1 482.492 4.647 20 0 JJADMO CCC[N@@H+](C)[C@H](CNC(=O)c1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1)c1ccc(Cl)cc1 ZINC001436197601 1065245402 /nfs/dbraw/zinc/24/54/02/1065245402.db2.gz KKLAFHWXFYJMFM-ZYLNGJIFSA-N 1 1 458.046 4.762 20 0 JJADMO CCC[N@@H+](C)[C@H](CNC(=O)c1cc2c(c(Br)c1)OCO2)c1ccc(Cl)cc1 ZINC001436197982 1065245642 /nfs/dbraw/zinc/24/56/42/1065245642.db2.gz QWTVSCKJBHOZPN-QGZVFWFLSA-N 1 1 453.764 4.644 20 0 JJADMO CN(C(=O)c1ccc(NC(=O)CSc2ccc(C(C)(C)C)cc2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC001360387169 1065251662 /nfs/dbraw/zinc/25/16/62/1065251662.db2.gz BMYXPUOTZAXFPD-QFIPXVFZSA-N 1 1 453.652 4.881 20 0 JJADMO COc1ccc(CCC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(Br)c1 ZINC001436210255 1065253048 /nfs/dbraw/zinc/25/30/48/1065253048.db2.gz RZAZZUZVNALKSA-XMMPIXPASA-N 1 1 457.412 4.515 20 0 JJADMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC001436241566 1065272613 /nfs/dbraw/zinc/27/26/13/1065272613.db2.gz LHOLCBTZGLXDRD-LJQANCHMSA-N 1 1 458.628 4.637 20 0 JJADMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC001436241566 1065272630 /nfs/dbraw/zinc/27/26/30/1065272630.db2.gz LHOLCBTZGLXDRD-LJQANCHMSA-N 1 1 458.628 4.637 20 0 JJADMO CC(C)OCC[NH+]1CCN(c2nnc(CC(C)(C)C)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001360410393 1065274611 /nfs/dbraw/zinc/27/46/11/1065274611.db2.gz MGUUDQSQMYYYNA-OALUTQOASA-N 1 1 459.601 4.707 20 0 JJADMO Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001360411506 1065275360 /nfs/dbraw/zinc/27/53/60/1065275360.db2.gz BTJHZZVDNFULMB-NRFANRHFSA-N 1 1 451.567 4.842 20 0 JJADMO CCCN(C)c1ccc(C(=O)Nc2cc(Br)ccc2N2CC[N@@H+](C)C[C@H]2C)cc1 ZINC001436258964 1065278016 /nfs/dbraw/zinc/27/80/16/1065278016.db2.gz MWRWZRNPRKCPGF-QGZVFWFLSA-N 1 1 459.432 4.688 20 0 JJADMO C[C@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cccc(-n2cccc2)c1 ZINC001436259705 1065278632 /nfs/dbraw/zinc/27/86/32/1065278632.db2.gz WTEISOROJSJTFE-KRWDZBQOSA-N 1 1 453.384 4.632 20 0 JJADMO C[C@@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1ccc(F)c(Cl)c1F ZINC001436259701 1065278658 /nfs/dbraw/zinc/27/86/58/1065278658.db2.gz WPSSBHCTECAWAV-LLVKDONJSA-N 1 1 458.734 4.773 20 0 JJADMO CC(C)SCCn1c(-c2cc3ccccc3o2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001360416773 1065279714 /nfs/dbraw/zinc/27/97/14/1065279714.db2.gz LJWHTEZPXXUDAW-UHFFFAOYSA-N 1 1 471.671 4.628 20 0 JJADMO C[C@H]1CN(C(=O)CN(Cc2ccco2)c2cccc(Cl)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001436282091 1065286131 /nfs/dbraw/zinc/28/61/31/1065286131.db2.gz YFBXFHUYPNZWTH-OAQYLSRUSA-N 1 1 451.998 4.920 20 0 JJADMO C[C@@H]1CN(C(=O)c2ccc(OC(F)F)c(Br)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001436281598 1065286230 /nfs/dbraw/zinc/28/62/30/1065286230.db2.gz UXDZVPLZMKHYCE-HNNXBMFYSA-N 1 1 453.327 4.645 20 0 JJADMO CC(C)SCCn1c(Cc2ccncc2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001360422735 1065289570 /nfs/dbraw/zinc/28/95/70/1065289570.db2.gz ICRBAYZAADMSSF-QFIPXVFZSA-N 1 1 470.731 4.886 20 0 JJADMO CC(C)SCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001360424937 1065293732 /nfs/dbraw/zinc/29/37/32/1065293732.db2.gz OVGYOXDMXUQQOU-FQEVSTJZSA-N 1 1 494.750 4.802 20 0 JJADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[C@@H](c4cccc(Br)c4)C3)cc2)C[C@@H](C)O1 ZINC001436310996 1065293749 /nfs/dbraw/zinc/29/37/49/1065293749.db2.gz IMKBIJLUDUGPBZ-JBYIUTFZSA-N 1 1 457.412 4.688 20 0 JJADMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(CNC(=O)C45CC6CC(CC(C6)C4)C5)cc3)sc2C1 ZINC000021295964 1065294990 /nfs/dbraw/zinc/29/49/90/1065294990.db2.gz IIKYJQYRHBHDMI-UHFFFAOYSA-N 1 1 478.662 4.606 20 0 JJADMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(CNC(=O)C45CC6CC(CC(C6)C4)C5)cc3)sc2C1 ZINC000021295964 1065295001 /nfs/dbraw/zinc/29/50/01/1065295001.db2.gz IIKYJQYRHBHDMI-UHFFFAOYSA-N 1 1 478.662 4.606 20 0 JJADMO CC(C)[C@@H]1C[C@H]1n1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001360425565 1065295064 /nfs/dbraw/zinc/29/50/64/1065295064.db2.gz LFTODBPVQZWBTE-BHIFYINESA-N 1 1 474.694 4.530 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1Cc1sccc1C ZINC001545898516 1065324469 /nfs/dbraw/zinc/32/44/69/1065324469.db2.gz VVDFZCXEZVWRAO-NHCUHLMSSA-N 1 1 486.730 4.706 20 0 JJADMO COc1ccc(OC(F)F)c(COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)c1 ZINC001360448950 1065340119 /nfs/dbraw/zinc/34/01/19/1065340119.db2.gz BHCFQEGFZXSMMF-WOJBJXKFSA-N 1 1 474.529 4.712 20 0 JJADMO Cc1[nH+]cn(-c2ccc(NC(=O)c3cc(Cl)ccc3I)cc2)c1C ZINC001436539151 1065351323 /nfs/dbraw/zinc/35/13/23/1065351323.db2.gz CIGIRSPCHVZALN-UHFFFAOYSA-N 1 1 451.695 4.999 20 0 JJADMO C[C@H](c1ccco1)N(C)c1nnc(-c2ccc(Br)cc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001360454375 1065351489 /nfs/dbraw/zinc/35/14/89/1065351489.db2.gz IQQBEIGGYYNQNB-QGZVFWFLSA-N 1 1 488.430 4.609 20 0 JJADMO C[C@H](c1ccco1)N(C)c1nnc(-c2ccc(Br)cc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001360454375 1065351498 /nfs/dbraw/zinc/35/14/98/1065351498.db2.gz IQQBEIGGYYNQNB-QGZVFWFLSA-N 1 1 488.430 4.609 20 0 JJADMO Cc1[nH+]cn(-c2ccc(NC(=O)c3ccc(Cn4cc(Br)cn4)s3)cc2)c1C ZINC001436543283 1065353411 /nfs/dbraw/zinc/35/34/11/1065353411.db2.gz RKRQRLKBFQRPRO-UHFFFAOYSA-N 1 1 456.369 4.810 20 0 JJADMO COc1ccc(CCC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1Br ZINC001360455481 1065355377 /nfs/dbraw/zinc/35/53/77/1065355377.db2.gz MRLZLMXEQUEDAV-NQIIRXRSSA-N 1 1 459.428 4.902 20 0 JJADMO C[C@@H]1C[C@@H](N(C)C(=O)CN(C(=O)c2ccccc2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001360458891 1065358927 /nfs/dbraw/zinc/35/89/27/1065358927.db2.gz BBADMKFREREECB-KCWPFWIISA-N 1 1 455.602 4.845 20 0 JJADMO COc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(OCCOC(C)C)c1 ZINC001360459147 1065360584 /nfs/dbraw/zinc/36/05/84/1065360584.db2.gz FWLHATJJYLASIW-FYYLOGMGSA-N 1 1 454.611 4.624 20 0 JJADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@](C)(O)C2CCCCC2)CC1 ZINC001360466108 1065376636 /nfs/dbraw/zinc/37/66/36/1065376636.db2.gz IHCPJCJUZQQDRU-CLOONOSVSA-N 1 1 459.704 4.852 20 0 JJADMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@](C)(O)C2CCCCC2)CC1 ZINC001360466111 1065376732 /nfs/dbraw/zinc/37/67/32/1065376732.db2.gz IHCPJCJUZQQDRU-UQBPGWFLSA-N 1 1 459.704 4.852 20 0 JJADMO C[C@@H](c1ccsc1)N1CCN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001360468146 1065383926 /nfs/dbraw/zinc/38/39/26/1065383926.db2.gz YWCWFMFAUPWVLG-NRFANRHFSA-N 1 1 472.747 4.933 20 0 JJADMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC001436597106 1065390707 /nfs/dbraw/zinc/39/07/07/1065390707.db2.gz DCZKTIACZRDQRI-SFHVURJKSA-N 1 1 458.484 4.788 20 0 JJADMO C[C@H](Cc1cccs1)Cn1c(-c2ccccc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001360497981 1065416342 /nfs/dbraw/zinc/41/63/42/1065416342.db2.gz NAOXJHYYLBLWDF-OAQYLSRUSA-N 1 1 467.683 4.680 20 0 JJADMO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)Cc2cccs2)CC1 ZINC001360501335 1065425011 /nfs/dbraw/zinc/42/50/11/1065425011.db2.gz RXJWZIZTDZAOPR-FQEVSTJZSA-N 1 1 454.688 4.781 20 0 JJADMO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001545901384 1065437272 /nfs/dbraw/zinc/43/72/72/1065437272.db2.gz LLTJWIPXTMBNTJ-INIZCTEOSA-N 1 1 454.373 4.713 20 0 JJADMO C[C@@H](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC001360505489 1065441504 /nfs/dbraw/zinc/44/15/04/1065441504.db2.gz PFXHGNLVAYPODR-ROUUACIJSA-N 1 1 471.447 4.935 20 0 JJADMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC001545901710 1065442463 /nfs/dbraw/zinc/44/24/63/1065442463.db2.gz VIZWBVZWHZTNIN-UHFFFAOYSA-N 1 1 454.455 4.935 20 0 JJADMO C[C@H](CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C(F)F)C1)[N@@H+](C)Cc1ccccc1 ZINC001360508845 1065448983 /nfs/dbraw/zinc/44/89/83/1065448983.db2.gz JMUWGDDYVORZDZ-HJNYFJLDSA-N 1 1 461.601 4.912 20 0 JJADMO C[C@@H](CCn1c([C@@H]2CCCCO2)nnc1N1CCSC(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360509449 1065449807 /nfs/dbraw/zinc/44/98/07/1065449807.db2.gz SKXVOCFMTVAPAR-UNMCSNQZSA-N 1 1 457.688 4.762 20 0 JJADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc(F)c(Br)c(Cl)c1 ZINC001436842695 1065450169 /nfs/dbraw/zinc/45/01/69/1065450169.db2.gz DXDGVGHRHZACDY-VQIMIIECSA-N 1 1 469.782 4.509 20 0 JJADMO C[C@@H](CCn1c([C@@H]2CCCCO2)nnc1N(C)CC1CC(F)(F)C1)[N@@H+](C)Cc1ccccc1 ZINC001360509741 1065450488 /nfs/dbraw/zinc/45/04/88/1065450488.db2.gz XHEOKDMUESBERE-UGKGYDQZSA-N 1 1 461.601 4.912 20 0 JJADMO C[C@H](CCn1c(Cc2cccnc2)nnc1N1CCSC(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC001360511731 1065458387 /nfs/dbraw/zinc/45/83/87/1065458387.db2.gz ZIKQFDZXDJAAQK-OAQYLSRUSA-N 1 1 464.683 4.506 20 0 JJADMO CC(C)c1nnc(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001360513821 1065462814 /nfs/dbraw/zinc/46/28/14/1065462814.db2.gz ITYNOAPOPHIYGZ-ISKFKSNPSA-N 1 1 498.716 4.863 20 0 JJADMO C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nnc1C(C)(C)C ZINC001360519530 1065487533 /nfs/dbraw/zinc/48/75/33/1065487533.db2.gz OQKZJQJYQZPKNT-URVUXULASA-N 1 1 488.721 4.532 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccccc2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001545903920 1065494617 /nfs/dbraw/zinc/49/46/17/1065494617.db2.gz KSCAJBAFLOHOQN-OTNCWRBYSA-N 1 1 480.701 4.906 20 0 JJADMO CC(C)N(C(=O)c1cnnn1-c1cccc(Cl)c1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001437026681 1065497669 /nfs/dbraw/zinc/49/76/69/1065497669.db2.gz FUOCBCBCPQWCIU-SFHVURJKSA-N 1 1 458.393 4.699 20 0 JJADMO COc1ccc(CC[C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC001360524218 1065498951 /nfs/dbraw/zinc/49/89/51/1065498951.db2.gz WCJQOISFBDQPDD-RPBOFIJWSA-N 1 1 450.623 4.930 20 0 JJADMO C[C@H](CN(C)c1nnc(Cc2ccsc2)n1CCC[N@H+]1CCCC[C@@H]1C)c1nccs1 ZINC001360526734 1065505860 /nfs/dbraw/zinc/50/58/60/1065505860.db2.gz SCBATXKYPAZMJE-MOPGFXCFSA-N 1 1 458.701 4.891 20 0 JJADMO O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001437190929 1065518455 /nfs/dbraw/zinc/51/84/55/1065518455.db2.gz GYNCNEOWUYKLPH-QGZVFWFLSA-N 1 1 452.813 4.818 20 0 JJADMO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCCCC1)[N@@H+](C)Cc1ccccc1 ZINC001360537204 1065521192 /nfs/dbraw/zinc/52/11/92/1065521192.db2.gz YYDQGRYPFDELEH-GOSISDBHSA-N 1 1 471.447 4.937 20 0 JJADMO C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCCCC1)[N@@H+](C)Cc1ccccc1 ZINC001360537205 1065521313 /nfs/dbraw/zinc/52/13/13/1065521313.db2.gz YYDQGRYPFDELEH-SFHVURJKSA-N 1 1 471.447 4.937 20 0 JJADMO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@H]1CCOC1)[N@@H+](C)Cc1ccccc1 ZINC001360540563 1065525657 /nfs/dbraw/zinc/52/56/57/1065525657.db2.gz HGRAOTWFKYHICG-WMZOPIPTSA-N 1 1 490.471 4.515 20 0 JJADMO C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C(=O)C(F)(F)F)CC1)[N@@H+](C)C1CC1 ZINC001360541238 1065527425 /nfs/dbraw/zinc/52/74/25/1065527425.db2.gz JRQCADLQSQOUIJ-ZDUSSCGKSA-N 1 1 487.929 4.568 20 0 JJADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccccc3F)n2C[C@H](C)c2nccs2)CC1 ZINC001360545242 1065535555 /nfs/dbraw/zinc/53/55/55/1065535555.db2.gz YHUMCCSGGSFSAH-SFHVURJKSA-N 1 1 456.635 4.901 20 0 JJADMO C[C@@H]1CN(C(=O)Cc2c(F)ccc(Br)c2F)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC001437319406 1065537166 /nfs/dbraw/zinc/53/71/66/1065537166.db2.gz QQYWSNUHUHOMOX-BZUAXINKSA-N 1 1 451.355 4.780 20 0 JJADMO CCCCCCOc1ccc(CC(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001437368946 1065543547 /nfs/dbraw/zinc/54/35/47/1065543547.db2.gz BPXFWGJYGOKSGJ-SXOMAYOGSA-N 1 1 450.623 4.690 20 0 JJADMO CN1CC[NH+](CCCOc2ccc(NC(=O)c3ccc(Cl)cc3C(F)(F)F)cc2)CC1 ZINC001437380043 1065545495 /nfs/dbraw/zinc/54/54/95/1065545495.db2.gz BHDXCZPYYOLCHW-UHFFFAOYSA-N 1 1 455.908 4.627 20 0 JJADMO C[C@H](Cn1c(C2CCC2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001360557930 1065547560 /nfs/dbraw/zinc/54/75/60/1065547560.db2.gz IBWPMAAIQUNEOF-OAQYLSRUSA-N 1 1 496.700 4.950 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC001437475666 1065559290 /nfs/dbraw/zinc/55/92/90/1065559290.db2.gz SFELOIHDEWLRPS-ZJSXRUAMSA-N 1 1 470.455 4.646 20 0 JJADMO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(Oc2ccc(F)cc2F)CC1)[N@@H+](C)C1CC1 ZINC001360569326 1065562093 /nfs/dbraw/zinc/56/20/93/1065562093.db2.gz JVQPXSXMBUIWLC-KRWDZBQOSA-N 1 1 461.601 4.675 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](SC)C2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001545907393 1065565356 /nfs/dbraw/zinc/56/53/56/1065565356.db2.gz HSVGUSKVHHLWJB-DNQXCXABSA-N 1 1 498.741 4.583 20 0 JJADMO C[C@H](COc1c(F)cccc1F)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001437561670 1065576800 /nfs/dbraw/zinc/57/68/00/1065576800.db2.gz DYNUGCCSQFBQRN-MISYRCLQSA-N 1 1 456.558 4.826 20 0 JJADMO C[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)Oc1ccccc1 ZINC001360580072 1065577322 /nfs/dbraw/zinc/57/73/22/1065577322.db2.gz YAHYDRZMYVOFKN-HXUWFJFHSA-N 1 1 453.656 4.709 20 0 JJADMO C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H]1CCCOC1)[N@@H+](C)C1CC1 ZINC001360583622 1065582039 /nfs/dbraw/zinc/58/20/39/1065582039.db2.gz HBJLRUXETZPCKY-SFTDATJTSA-N 1 1 469.674 4.500 20 0 JJADMO C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H]1CCCOC1)[N@@H+](C)C1CC1 ZINC001360583621 1065582088 /nfs/dbraw/zinc/58/20/88/1065582088.db2.gz HBJLRUXETZPCKY-RTWAWAEBSA-N 1 1 469.674 4.500 20 0 JJADMO C[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@H](C)C1)C[NH+]1CCOCC1 ZINC001360606850 1065632658 /nfs/dbraw/zinc/63/26/58/1065632658.db2.gz RPGGGZSNPFAAFY-HSALFYBXSA-N 1 1 478.106 4.674 20 0 JJADMO C[NH+](C)[C@H](C(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1)c1ccc(Cl)cc1 ZINC001360609456 1065640520 /nfs/dbraw/zinc/64/05/20/1065640520.db2.gz AJXYRKMYYXJFAK-FQEVSTJZSA-N 1 1 452.357 4.613 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001438021693 1065652417 /nfs/dbraw/zinc/65/24/17/1065652417.db2.gz GMQYKSKUZUEOJJ-MUCKBHKGSA-N 1 1 469.670 4.687 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC001438021689 1065652583 /nfs/dbraw/zinc/65/25/83/1065652583.db2.gz GMQYKSKUZUEOJJ-GFXAMXPBSA-N 1 1 469.670 4.687 20 0 JJADMO COC[C@H](C)Oc1ccc(COC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001438081101 1065666508 /nfs/dbraw/zinc/66/65/08/1065666508.db2.gz YKIHHBYTBYJYKH-MBSDFSHPSA-N 1 1 451.485 4.598 20 0 JJADMO CC(F)(F)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001360630876 1065679656 /nfs/dbraw/zinc/67/96/56/1065679656.db2.gz YUDRLRJTVLHWQM-NHCUHLMSSA-N 1 1 479.591 4.703 20 0 JJADMO CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001360639719 1065708276 /nfs/dbraw/zinc/70/82/76/1065708276.db2.gz LMZKZGVVTCFLIN-QGZVFWFLSA-N 1 1 450.583 4.660 20 0 JJADMO CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001360639719 1065708285 /nfs/dbraw/zinc/70/82/85/1065708285.db2.gz LMZKZGVVTCFLIN-QGZVFWFLSA-N 1 1 450.583 4.660 20 0 JJADMO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001360640008 1065709259 /nfs/dbraw/zinc/70/92/59/1065709259.db2.gz QSGXSSUWJLIJDD-HZPDHXFCSA-N 1 1 451.792 4.603 20 0 JJADMO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001360640008 1065709273 /nfs/dbraw/zinc/70/92/73/1065709273.db2.gz QSGXSSUWJLIJDD-HZPDHXFCSA-N 1 1 451.792 4.603 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)COC/C=C\c2ccccc2)cc1 ZINC001438322670 1065709400 /nfs/dbraw/zinc/70/94/00/1065709400.db2.gz AVTBSVQKXKEFHS-SZXLNIFMSA-N 1 1 456.586 4.509 20 0 JJADMO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001360640006 1065709382 /nfs/dbraw/zinc/70/93/82/1065709382.db2.gz QSGXSSUWJLIJDD-CVEARBPZSA-N 1 1 451.792 4.603 20 0 JJADMO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001360640006 1065709398 /nfs/dbraw/zinc/70/93/98/1065709398.db2.gz QSGXSSUWJLIJDD-CVEARBPZSA-N 1 1 451.792 4.603 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC001438330544 1065710411 /nfs/dbraw/zinc/71/04/11/1065710411.db2.gz PTFDBGPBBXFSKT-QFBILLFUSA-N 1 1 454.368 4.602 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC001438330561 1065710521 /nfs/dbraw/zinc/71/05/21/1065710521.db2.gz PTFDBGPBBXFSKT-VQIMIIECSA-N 1 1 454.368 4.602 20 0 JJADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC001438334047 1065711183 /nfs/dbraw/zinc/71/11/83/1065711183.db2.gz RXBAHDQESBGHIF-WMLDXEAASA-N 1 1 455.318 4.966 20 0 JJADMO CC(C)[N@@H+](C)CCCn1c(C2CCCC2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001360640975 1065711629 /nfs/dbraw/zinc/71/16/29/1065711629.db2.gz BENGEEVAUJSTHZ-HXUWFJFHSA-N 1 1 476.710 4.796 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)COc2ccccc2C(C)C)cc1 ZINC001438339756 1065712325 /nfs/dbraw/zinc/71/23/25/1065712325.db2.gz QXVMNMFDUSPXQU-RRPNLBNLSA-N 1 1 458.602 4.982 20 0 JJADMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(C3CCCC3)n2CC[N@@H+](C)Cc2ccccc2)C1 ZINC001360641338 1065713070 /nfs/dbraw/zinc/71/30/70/1065713070.db2.gz GYKHNSWFYDKCBH-QPPBQGQZSA-N 1 1 496.700 4.807 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)[C@@]2(C(=O)OC(C)(C)C)CC2(C)C)cc1 ZINC001438345512 1065713480 /nfs/dbraw/zinc/71/34/80/1065713480.db2.gz ZPEVLLSGOQNCEP-CTVOUCONSA-N 1 1 478.633 4.537 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(C2CC2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360641638 1065714179 /nfs/dbraw/zinc/71/41/79/1065714179.db2.gz LDEZNNVMLDWBQD-IFMALSPDSA-N 1 1 496.700 4.784 20 0 JJADMO CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001438356829 1065715741 /nfs/dbraw/zinc/71/57/41/1065715741.db2.gz IZAUUGYFZWOKKV-XMMPIXPASA-N 1 1 451.611 4.886 20 0 JJADMO O=C(N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)c1cnc2ncc(Br)cc2c1 ZINC001438362001 1065716587 /nfs/dbraw/zinc/71/65/87/1065716587.db2.gz XWAXTPKEAWKGME-OAQYLSRUSA-N 1 1 453.384 4.567 20 0 JJADMO CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001438576502 1065733358 /nfs/dbraw/zinc/73/33/58/1065733358.db2.gz ZIIIMEUQBPKUCO-GOTSBHOMSA-N 1 1 455.643 4.585 20 0 JJADMO Cc1nc(-c2ccc(C)cc2F)sc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC001438594295 1065734925 /nfs/dbraw/zinc/73/49/25/1065734925.db2.gz MDHPRNVNSAMVPR-HXUWFJFHSA-N 1 1 453.583 4.505 20 0 JJADMO Cc1nc(-c2ccc(C)cc2F)sc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC001438594295 1065734940 /nfs/dbraw/zinc/73/49/40/1065734940.db2.gz MDHPRNVNSAMVPR-HXUWFJFHSA-N 1 1 453.583 4.505 20 0 JJADMO CSc1ccc(-c2nsc(NC(=O)c3ccc(C[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)n2)cc1 ZINC001360702107 1065740906 /nfs/dbraw/zinc/74/09/06/1065740906.db2.gz VQNSXTPRCAKJNA-HZPDHXFCSA-N 1 1 454.621 4.789 20 0 JJADMO C[C@@H](NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360711419 1065743555 /nfs/dbraw/zinc/74/35/55/1065743555.db2.gz FYBWKOUBIKWRKQ-UZUQRXQVSA-N 1 1 458.480 4.985 20 0 JJADMO C[C@@H](NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360711419 1065743568 /nfs/dbraw/zinc/74/35/68/1065743568.db2.gz FYBWKOUBIKWRKQ-UZUQRXQVSA-N 1 1 458.480 4.985 20 0 JJADMO C[C@@H](NC(=O)c1cc2ccc(Br)cc2s1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360711940 1065744365 /nfs/dbraw/zinc/74/43/65/1065744365.db2.gz RCHHJAUNXUFOGR-DNVCBOLYSA-N 1 1 459.409 4.683 20 0 JJADMO C[C@@H](NC(=O)c1cc2ccc(Br)cc2s1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360711940 1065744381 /nfs/dbraw/zinc/74/43/81/1065744381.db2.gz RCHHJAUNXUFOGR-DNVCBOLYSA-N 1 1 459.409 4.683 20 0 JJADMO C[C@H](NC(=O)c1cc2ccc(Br)cc2s1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360711942 1065744432 /nfs/dbraw/zinc/74/44/32/1065744432.db2.gz RCHHJAUNXUFOGR-KXBFYZLASA-N 1 1 459.409 4.683 20 0 JJADMO 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O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c(F)c(F)c(Br)c(F)c1F ZINC001442474342 1066129716 /nfs/dbraw/zinc/12/97/16/1066129716.db2.gz XUHDFVCWIFOBFB-ZDUSSCGKSA-N 1 1 459.281 4.648 20 0 JJADMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1 ZINC001442476798 1066130787 /nfs/dbraw/zinc/13/07/87/1066130787.db2.gz RPRLKRVNSXXVQB-OAQYLSRUSA-N 1 1 456.512 4.592 20 0 JJADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCCCO2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001360985738 1066149035 /nfs/dbraw/zinc/14/90/35/1066149035.db2.gz KEZMMICWBZFSSF-IMSXRSKXSA-N 1 1 496.700 4.579 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@H]1CCOC1 ZINC001360986415 1066152220 /nfs/dbraw/zinc/15/22/20/1066152220.db2.gz CNNJSGINCZZMNY-NQIIRXRSSA-N 1 1 473.021 4.509 20 0 JJADMO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC001442733688 1066156367 /nfs/dbraw/zinc/15/63/67/1066156367.db2.gz YKQXPGHONOXFCN-UHFFFAOYSA-N 1 1 450.892 4.953 20 0 JJADMO CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001442768461 1066159039 /nfs/dbraw/zinc/15/90/39/1066159039.db2.gz OXALHJOJZPRSFQ-QFIPXVFZSA-N 1 1 458.002 4.646 20 0 JJADMO CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001442768461 1066159040 /nfs/dbraw/zinc/15/90/40/1066159040.db2.gz OXALHJOJZPRSFQ-QFIPXVFZSA-N 1 1 458.002 4.646 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCCC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001360989454 1066161390 /nfs/dbraw/zinc/16/13/90/1066161390.db2.gz FMUNLKNJWVGKMD-IRLDBZIGSA-N 1 1 476.065 4.525 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCCC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001360989631 1066162484 /nfs/dbraw/zinc/16/24/84/1066162484.db2.gz HYFDFESBAOBVKL-NRFANRHFSA-N 1 1 489.108 4.562 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@H](C(C)C)C2)n1CCC[NH+]1CCOCC1 ZINC001360989664 1066162849 /nfs/dbraw/zinc/16/28/49/1066162849.db2.gz IWKCNQHRHLDLDR-FGZHOGPDSA-N 1 1 490.092 4.893 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCc3oncc3C2)n1CC[N@H+](C)C(C)C ZINC001360990237 1066166487 /nfs/dbraw/zinc/16/64/87/1066166487.db2.gz RQJLOPNLTUYCRV-GOSISDBHSA-N 1 1 473.021 4.579 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001360990430 1066167489 /nfs/dbraw/zinc/16/74/89/1066167489.db2.gz VMEMUUZQHLJGDP-ZEYPLWLESA-N 1 1 490.092 4.891 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCOC[C@@H]2C)n1CC[N@@H+](C)C1CCCC1 ZINC001360992131 1066171052 /nfs/dbraw/zinc/17/10/52/1066171052.db2.gz JAGHPTVXSFIGJB-VQTJNVASSA-N 1 1 476.065 4.788 20 0 JJADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(Nc2cnn(C)c2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001360993077 1066172906 /nfs/dbraw/zinc/17/29/06/1066172906.db2.gz XXVUASYXFXBFFG-QFBILLFUSA-N 1 1 472.037 4.897 20 0 JJADMO Cc1cc([C@@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c2ccccc2Cl)ccc1F ZINC001360995802 1066174817 /nfs/dbraw/zinc/17/48/17/1066174817.db2.gz POQJOQVALFIJFO-JWQCQUIFSA-N 1 1 452.957 4.894 20 0 JJADMO Cc1cc([C@@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c2ccccc2Cl)ccc1F ZINC001360995802 1066174819 /nfs/dbraw/zinc/17/48/19/1066174819.db2.gz POQJOQVALFIJFO-JWQCQUIFSA-N 1 1 452.957 4.894 20 0 JJADMO C[N@H+]1CCC[C@H](CNC(=O)CCCOc2ccccc2Br)[C@H]1c1cccs1 ZINC001360996026 1066174861 /nfs/dbraw/zinc/17/48/61/1066174861.db2.gz BAXNMTFSMPNLMC-IERDGZPVSA-N 1 1 451.430 4.869 20 0 JJADMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)[C@@H]1c1cccs1 ZINC001360996175 1066174895 /nfs/dbraw/zinc/17/48/95/1066174895.db2.gz CXIOWDBBGCJGNY-DENIHFKCSA-N 1 1 455.624 4.859 20 0 JJADMO Cc1cc([C@](C)(O)Cn2c(C(C)C)nnc2N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)o1 ZINC001360998272 1066177493 /nfs/dbraw/zinc/17/74/93/1066177493.db2.gz YGAMXJMCCMRCNF-KCVHQNEMSA-N 1 1 457.663 4.610 20 0 JJADMO Cc1cc([C@](C)(O)Cn2c(C(C)C)nnc2N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)o1 ZINC001360998270 1066177497 /nfs/dbraw/zinc/17/74/97/1066177497.db2.gz YGAMXJMCCMRCNF-BORKOYIJSA-N 1 1 457.663 4.610 20 0 JJADMO Cc1cc([C@](C)(O)Cn2c(N3CC[NH+]([C@H](C)c4ccsc4)CC3)nnc2C(C)(C)C)c(C)o1 ZINC001361002978 1066179994 /nfs/dbraw/zinc/17/99/94/1066179994.db2.gz LVNINHYOWHSXGF-IQGLISFBSA-N 1 1 471.671 4.638 20 0 JJADMO Cc1cccc([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)c1 ZINC001361004737 1066183027 /nfs/dbraw/zinc/18/30/27/1066183027.db2.gz RWDNQKUNRKIAAX-NRFANRHFSA-N 1 1 497.087 4.900 20 0 JJADMO Cc1cc(C)c(Cn2c(N3CCC[N@H+](C(C)(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)c(C)c1 ZINC001361011923 1066196026 /nfs/dbraw/zinc/19/60/26/1066196026.db2.gz JLKPFUIADKSRKP-MUUNZHRXSA-N 1 1 483.701 4.603 20 0 JJADMO Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@H]2CCC[N@H+](C(C)C)C2)c(C)c1 ZINC001361014433 1066200707 /nfs/dbraw/zinc/20/07/07/1066200707.db2.gz NRSUTWYJWXMDJI-BJKOFHAPSA-N 1 1 496.700 4.640 20 0 JJADMO Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c(C)c1 ZINC001361014436 1066200743 /nfs/dbraw/zinc/20/07/43/1066200743.db2.gz NRSUTWYJWXMDJI-RPWUZVMVSA-N 1 1 496.700 4.640 20 0 JJADMO Cc1ccc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CCC[C@@H]2C)s1 ZINC001361021078 1066213047 /nfs/dbraw/zinc/21/30/47/1066213047.db2.gz QDNKEAFPRUSTKL-FQEVSTJZSA-N 1 1 453.656 4.965 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N(C)CCC(F)(F)F)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361022559 1066217916 /nfs/dbraw/zinc/21/79/16/1066217916.db2.gz UWLSSXNLRPOFMC-XLIONFOSSA-N 1 1 467.580 4.983 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001361022628 1066218546 /nfs/dbraw/zinc/21/85/46/1066218546.db2.gz WURKNOBPJYNDAN-ZEQRLZLVSA-N 1 1 469.674 4.600 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001361023754 1066220175 /nfs/dbraw/zinc/22/01/75/1066220175.db2.gz CMYKHTQNKZHVBS-REWPJTCUSA-N 1 1 483.701 4.988 20 0 JJADMO CC[C@@]1(C)CC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)O1 ZINC001546056913 1066229902 /nfs/dbraw/zinc/22/99/02/1066229902.db2.gz LJJIOXVZZRMOBV-DHLKQENFSA-N 1 1 474.719 4.538 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC(CCCO)CC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361027663 1066230574 /nfs/dbraw/zinc/23/05/74/1066230574.db2.gz QWGJPWDOQLYFGC-JOCHJYFZSA-N 1 1 497.728 4.973 20 0 JJADMO CC[C@@]1(C)CC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)O1 ZINC001546056713 1066235890 /nfs/dbraw/zinc/23/58/90/1066235890.db2.gz JBJLZLCNRYBWNQ-DHLKQENFSA-N 1 1 459.704 4.835 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC1CCN(C(=O)[C@H](CC)c2ccccc2)CC1 ZINC001442924629 1066241556 /nfs/dbraw/zinc/24/15/56/1066241556.db2.gz OPBJHUGOCYNYNI-BIYCFNCWSA-N 1 1 475.677 4.836 20 0 JJADMO Cc1ccc([C@@](O)(CC(=O)N2CC(C)(C)[N@@H+](Cc3ccccc3)CC2(C)C)C(F)(F)F)o1 ZINC001454123754 1066248418 /nfs/dbraw/zinc/24/84/18/1066248418.db2.gz YBAWRHYEQQQNFI-QHCPKHFHSA-N 1 1 452.517 4.630 20 0 JJADMO O=C(CCOc1ccccc1Br)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001454123147 1066248708 /nfs/dbraw/zinc/24/87/08/1066248708.db2.gz VOMZPUXNLUKWLR-FQEVSTJZSA-N 1 1 457.412 4.637 20 0 JJADMO CC[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1)OC ZINC001545953386 1066250442 /nfs/dbraw/zinc/25/04/42/1066250442.db2.gz XGZYQVOVGNCDFI-NNMXDRDESA-N 1 1 476.065 4.807 20 0 JJADMO Cc1cc(C)cc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@](C)(O)C2CCCCC2)c1 ZINC001361035208 1066253103 /nfs/dbraw/zinc/25/31/03/1066253103.db2.gz SCWISQAEMASFMX-MUUNZHRXSA-N 1 1 483.701 4.726 20 0 JJADMO Cc1cc(C(C)(C)C)ccc1OCCCC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001454271563 1066262064 /nfs/dbraw/zinc/26/20/64/1066262064.db2.gz VWODTDKLZVVFPH-MUUNZHRXSA-N 1 1 452.639 4.547 20 0 JJADMO CCCc1c(C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C)c3)C2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001454312427 1066268815 /nfs/dbraw/zinc/26/88/15/1066268815.db2.gz MLEYBLSIVOTLFP-HSZRJFAPSA-N 1 1 459.638 4.830 20 0 JJADMO Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N3CCC(C[N@H+](C)Cc4ccccc4)CC3)c2)n1 ZINC001443109305 1066270082 /nfs/dbraw/zinc/27/00/82/1066270082.db2.gz USSMOIKEPRUONU-UHFFFAOYSA-N 1 1 459.594 4.527 20 0 JJADMO Cc1cc(C)c2c(c1)N(C(=O)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C)CCC2 ZINC001443167768 1066276486 /nfs/dbraw/zinc/27/64/86/1066276486.db2.gz SIAAEPLDRGZVLD-QHCPKHFHSA-N 1 1 451.611 4.608 20 0 JJADMO C[C@H](CC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001454399487 1066277734 /nfs/dbraw/zinc/27/77/34/1066277734.db2.gz FWUGBIXKESPMOR-IMSXRSKXSA-N 1 1 457.659 4.687 20 0 JJADMO CCOc1cc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)ccc1OCc1cccnc1 ZINC001454400429 1066278101 /nfs/dbraw/zinc/27/81/01/1066278101.db2.gz LCQOKTWVANUIOQ-BWKNWUBXSA-N 1 1 459.590 4.700 20 0 JJADMO Cc1sc2ncnc(SCCC(=O)N[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C)c2c1C ZINC001454408325 1066280242 /nfs/dbraw/zinc/28/02/42/1066280242.db2.gz SSXLOACOJXZLET-OXQOHEQNSA-N 1 1 454.665 4.817 20 0 JJADMO O=C(Cc1cc(Cl)ccc1Br)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC001454447605 1066283773 /nfs/dbraw/zinc/28/37/73/1066283773.db2.gz ABQQPYHHIVUKQM-UHFFFAOYSA-N 1 1 458.787 4.538 20 0 JJADMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)Cc2cccc(C(F)(F)F)n2)CC1 ZINC001443261671 1066286332 /nfs/dbraw/zinc/28/63/32/1066286332.db2.gz FZOHUFHJWPUFCF-UHFFFAOYSA-N 1 1 459.434 4.785 20 0 JJADMO O=C([C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CCc2cc(F)cc(Br)c2C1 ZINC001454475506 1066288987 /nfs/dbraw/zinc/28/89/87/1066288987.db2.gz OYFMGNXGIODGGI-HXUWFJFHSA-N 1 1 451.767 4.791 20 0 JJADMO O=C([C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CCc2cc(F)cc(Br)c2C1 ZINC001454475506 1066289002 /nfs/dbraw/zinc/28/90/02/1066289002.db2.gz OYFMGNXGIODGGI-HXUWFJFHSA-N 1 1 451.767 4.791 20 0 JJADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)CC1 ZINC001454491378 1066292140 /nfs/dbraw/zinc/29/21/40/1066292140.db2.gz DUCQLPJBRYVNFT-HXUWFJFHSA-N 1 1 454.640 4.718 20 0 JJADMO CC[C@@H]1Oc2cc([C@@H](C)NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3CC(C)C)ccc2NC1=O ZINC001361056717 1066297929 /nfs/dbraw/zinc/29/79/29/1066297929.db2.gz AEOSHHQPFPHXHK-VRAWNYFSSA-N 1 1 463.622 4.768 20 0 JJADMO O=C(CN[C@@H](c1ccccc1)C(F)(F)F)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001443359961 1066301732 /nfs/dbraw/zinc/30/17/32/1066301732.db2.gz VCNLBIGULOFKHI-UNMCSNQZSA-N 1 1 453.936 4.704 20 0 JJADMO CC(C)(C)n1ncc(C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)c1Br ZINC001443383670 1066304269 /nfs/dbraw/zinc/30/42/69/1066304269.db2.gz CUGRUDIMSZMIJQ-UHFFFAOYSA-N 1 1 459.392 4.515 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)CCC(=O)c2c(F)cccc2F)cc1 ZINC001454633524 1066313280 /nfs/dbraw/zinc/31/32/80/1066313280.db2.gz LSEGFSLOCUGRKH-WIOPSUGQSA-N 1 1 478.539 4.721 20 0 JJADMO CCOc1ccc(C(=O)CCC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc1OCC ZINC001443546335 1066328016 /nfs/dbraw/zinc/32/80/16/1066328016.db2.gz YZXBPQCLKGXHMC-UHFFFAOYSA-N 1 1 452.595 4.570 20 0 JJADMO CCOc1ccc(C(=O)CCC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1OCC ZINC001443546335 1066328031 /nfs/dbraw/zinc/32/80/31/1066328031.db2.gz YZXBPQCLKGXHMC-UHFFFAOYSA-N 1 1 452.595 4.570 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H](C)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001361087964 1066328522 /nfs/dbraw/zinc/32/85/22/1066328522.db2.gz DKKWPOAVGNKIOG-IFMALSPDSA-N 1 1 490.092 4.599 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](CC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccccc1 ZINC001443557025 1066329005 /nfs/dbraw/zinc/32/90/05/1066329005.db2.gz YZFUPEPGAQBTSP-HSZRJFAPSA-N 1 1 451.611 4.766 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H](C)[C@@H]2C)n1CC[N@@H+]1CCOCC1(C)C ZINC001361088634 1066332093 /nfs/dbraw/zinc/33/20/93/1066332093.db2.gz KMUVYIHIOBTSLV-CTNGQTDRSA-N 1 1 490.092 4.597 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H](C)[C@@H]2C)n1CC[N@H+]1CCOCC1(C)C ZINC001361088634 1066332109 /nfs/dbraw/zinc/33/21/09/1066332109.db2.gz KMUVYIHIOBTSLV-CTNGQTDRSA-N 1 1 490.092 4.597 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001361089010 1066334424 /nfs/dbraw/zinc/33/44/24/1066334424.db2.gz OUHZRMJQNDBGMA-HJNYFJLDSA-N 1 1 490.092 4.597 20 0 JJADMO CC(C)(C)OC(=O)NCCc1ccccc1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001454842449 1066336262 /nfs/dbraw/zinc/33/62/62/1066336262.db2.gz FBOVOCZZBPRHJI-HSZRJFAPSA-N 1 1 451.611 4.538 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCS[C@H](C)C1 ZINC001361090189 1066338319 /nfs/dbraw/zinc/33/83/19/1066338319.db2.gz CEOUSMDTNJVJRV-LJQANCHMSA-N 1 1 489.089 4.788 20 0 JJADMO CCOc1ccc(Br)cc1CN(C(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC001443623605 1066338825 /nfs/dbraw/zinc/33/88/25/1066338825.db2.gz ZYQJFUGCEKGGRP-KRWDZBQOSA-N 1 1 457.412 4.786 20 0 JJADMO CCOc1ccc(Br)cc1CN(C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)C1CC1 ZINC001443623605 1066338839 /nfs/dbraw/zinc/33/88/39/1066338839.db2.gz ZYQJFUGCEKGGRP-KRWDZBQOSA-N 1 1 457.412 4.786 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCOC(C)(C)C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001361090770 1066339692 /nfs/dbraw/zinc/33/96/92/1066339692.db2.gz JPPBNQUEKQVYST-FQEVSTJZSA-N 1 1 490.092 4.599 20 0 JJADMO O=C(NCc1ccc(Br)cn1)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001454893708 1066339985 /nfs/dbraw/zinc/33/99/85/1066339985.db2.gz NPWFKRSNOUKECM-QFIPXVFZSA-N 1 1 456.359 4.501 20 0 JJADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCSCC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001361091555 1066340991 /nfs/dbraw/zinc/34/09/91/1066340991.db2.gz QPMZABINRFKRFW-FPOVZHCZSA-N 1 1 492.133 4.925 20 0 JJADMO COc1ccccc1/C=C(/C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1)c1ccccc1 ZINC001454918674 1066341794 /nfs/dbraw/zinc/34/17/94/1066341794.db2.gz IOOKHTICOHRWSO-HNXXGLCESA-N 1 1 456.586 4.561 20 0 JJADMO COc1ccccc1/C=C(/C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1)c1ccccc1 ZINC001454918674 1066341811 /nfs/dbraw/zinc/34/18/11/1066341811.db2.gz IOOKHTICOHRWSO-HNXXGLCESA-N 1 1 456.586 4.561 20 0 JJADMO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Cc3csc(COc4ccc(Cl)cc4)n3)C2)cc1 ZINC001455008636 1066352808 /nfs/dbraw/zinc/35/28/08/1066352808.db2.gz FYUANLQAMSAEJW-FQEVSTJZSA-N 1 1 456.011 4.617 20 0 JJADMO Cc1cccc(N(C)c2nnc(CNC(=O)c3cccs3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361103153 1066353109 /nfs/dbraw/zinc/35/31/09/1066353109.db2.gz UCHZONPYDNIJPU-OYRHEFFESA-N 1 1 480.682 4.714 20 0 JJADMO Cn1c(C(=O)N2CC[N@H+](C)Cc3ccccc32)ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001443752450 1066362141 /nfs/dbraw/zinc/36/21/41/1066362141.db2.gz AHQVITBCCOAWSW-JOCHJYFZSA-N 1 1 452.599 4.579 20 0 JJADMO Cn1c(C(=O)N2CC[N@@H+](C)Cc3ccccc32)ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001443752450 1066362150 /nfs/dbraw/zinc/36/21/50/1066362150.db2.gz AHQVITBCCOAWSW-JOCHJYFZSA-N 1 1 452.599 4.579 20 0 JJADMO Cc1cccc(OCCN(C)c2nnc(-c3ccccn3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361112020 1066363032 /nfs/dbraw/zinc/36/30/32/1066363032.db2.gz JNCJWIQSPHQJMQ-JOCHJYFZSA-N 1 1 462.642 4.674 20 0 JJADMO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)NC1CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC1)C2 ZINC001443766364 1066364199 /nfs/dbraw/zinc/36/41/99/1066364199.db2.gz KLKKRMHUBVISBK-LQWHRVPQSA-N 1 1 482.452 4.862 20 0 JJADMO Cc1nc(Cc2nnc(N(C)CCOc3cccc(C)c3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001361113910 1066364851 /nfs/dbraw/zinc/36/48/51/1066364851.db2.gz WWILCQWNSRVNAB-OAQYLSRUSA-N 1 1 496.725 4.968 20 0 JJADMO CC(C)CC(=O)N1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001443774358 1066365984 /nfs/dbraw/zinc/36/59/84/1066365984.db2.gz ZOZWABIGMXLODO-NRFANRHFSA-N 1 1 454.442 4.501 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N(C)Cc3ccon3)n2CC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361123553 1066373924 /nfs/dbraw/zinc/37/39/24/1066373924.db2.gz FCQUKWVWSSFNJU-OAQYLSRUSA-N 1 1 466.630 4.645 20 0 JJADMO CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001545962773 1066375447 /nfs/dbraw/zinc/37/54/47/1066375447.db2.gz JWBNGUOMWPTMON-NRFANRHFSA-N 1 1 451.615 4.587 20 0 JJADMO CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001545962773 1066375459 /nfs/dbraw/zinc/37/54/59/1066375459.db2.gz JWBNGUOMWPTMON-NRFANRHFSA-N 1 1 451.615 4.587 20 0 JJADMO Cc1cccc(NC[C@H]2CCCN2C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)[nH+]1 ZINC001443870148 1066378704 /nfs/dbraw/zinc/37/87/04/1066378704.db2.gz KTPVTJVIYWMFBD-OAHLLOKOSA-N 1 1 458.349 4.996 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)CC[C@@H]3C)n2C[C@@H]2CCC[N@H+]2CCCO)c1 ZINC001361125968 1066381475 /nfs/dbraw/zinc/38/14/75/1066381475.db2.gz IDRUEACSCYSTFB-SGNDLWITSA-N 1 1 483.701 4.761 20 0 JJADMO CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[N@H+](C(C)C)CC1)Oc1cccc(F)c1 ZINC001545963077 1066382621 /nfs/dbraw/zinc/38/26/21/1066382621.db2.gz PRZJROMMHZXFMC-NRFANRHFSA-N 1 1 455.578 4.764 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001361126265 1066383500 /nfs/dbraw/zinc/38/35/00/1066383500.db2.gz PDVJBGPGAYSQEA-VXKWHMMOSA-N 1 1 469.674 4.777 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361126716 1066385897 /nfs/dbraw/zinc/38/58/97/1066385897.db2.gz ZBNRTLGCYXMJSQ-VJBWXMMDSA-N 1 1 469.674 4.634 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCC(=O)NC(C)(C)C)c1 ZINC001361127273 1066387318 /nfs/dbraw/zinc/38/73/18/1066387318.db2.gz GQPATHPPCNLQLJ-UHFFFAOYSA-N 1 1 498.716 4.514 20 0 JJADMO C[C@]1(c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NC[C@@H](CO)c1ccc(Cl)cc1 ZINC001455421460 1066389130 /nfs/dbraw/zinc/38/91/30/1066389130.db2.gz UYYTUBNHRVOAHO-DANFDKMISA-N 1 1 463.021 4.622 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@](C)(O)C2CC2)c1 ZINC001361128336 1066391436 /nfs/dbraw/zinc/39/14/36/1066391436.db2.gz WRDQKYDQJZAVJS-NDEPHWFRSA-N 1 1 483.701 4.761 20 0 JJADMO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)CCc2ncc(-c3ccc(OC)cc3)o2)CC1 ZINC001455464510 1066394471 /nfs/dbraw/zinc/39/44/71/1066394471.db2.gz KOGOGLAUTPDVBE-QHCPKHFHSA-N 1 1 451.542 4.717 20 0 JJADMO Cc1nc2sc(-c3ccccc3)cc2c(NCC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001444074805 1066400312 /nfs/dbraw/zinc/40/03/12/1066400312.db2.gz BTBNEZRHHWJONP-SFHVURJKSA-N 1 1 459.619 4.715 20 0 JJADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC[C@H]3C)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001361132500 1066403126 /nfs/dbraw/zinc/40/31/26/1066403126.db2.gz ZOOQZRRJZUAFDZ-JOCHJYFZSA-N 1 1 469.674 4.636 20 0 JJADMO Cc1c(NC(=O)c2ccc(C[NH+](C)C)o2)cc(I)cc1C(F)(F)F ZINC001455565540 1066411003 /nfs/dbraw/zinc/41/10/03/1066411003.db2.gz AKEKGOBFWHYVGN-UHFFFAOYSA-N 1 1 452.214 4.525 20 0 JJADMO O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(OCc2ccncc2)cc1 ZINC001444140282 1066414510 /nfs/dbraw/zinc/41/45/10/1066414510.db2.gz RDDYDMSKMGHDJY-QFIPXVFZSA-N 1 1 455.480 4.684 20 0 JJADMO O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(NCc2ccccn2)c1 ZINC001444141858 1066414652 /nfs/dbraw/zinc/41/46/52/1066414652.db2.gz VQTQLKCBKPSJSF-HSZRJFAPSA-N 1 1 454.496 4.717 20 0 JJADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CCc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC001444164950 1066423663 /nfs/dbraw/zinc/42/36/63/1066423663.db2.gz HRVBPHNKINHPQX-QZTJIDSGSA-N 1 1 450.649 4.536 20 0 JJADMO CC(C)c1ccc(-n2cnnc2SCC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC001444169414 1066424616 /nfs/dbraw/zinc/42/46/16/1066424616.db2.gz MGPGKUZVGFRYEV-SFTDATJTSA-N 1 1 455.672 4.596 20 0 JJADMO CC(C)c1ccc(-n2cnnc2SCC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC001444169403 1066424878 /nfs/dbraw/zinc/42/48/78/1066424878.db2.gz MGPGKUZVGFRYEV-LEWJYISDSA-N 1 1 455.672 4.596 20 0 JJADMO Cc1ccc(N(C(=O)[C@@H](C[N@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)C2CCC2)cc1 ZINC001455787135 1066430739 /nfs/dbraw/zinc/43/07/39/1066430739.db2.gz LWEAWPJAZKMBQK-XMMPIXPASA-N 1 1 451.611 4.906 20 0 JJADMO Cc1ccc(CN(C)c2nnc(COc3cc(C)ccc3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)s1 ZINC001361146071 1066431676 /nfs/dbraw/zinc/43/16/76/1066431676.db2.gz QRQKJQQBFJRCFB-XMMPIXPASA-N 1 1 497.709 4.837 20 0 JJADMO C[N@@H+](CCOc1ccccc1)Cc1ccc(NC(=O)CN(C(=O)OC(C)(C)C)C2CC2)cc1 ZINC001455811056 1066435782 /nfs/dbraw/zinc/43/57/82/1066435782.db2.gz MHZGQZZYJLVWMB-UHFFFAOYSA-N 1 1 453.583 4.535 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N(C)CCC3CCOCC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC001361149200 1066438622 /nfs/dbraw/zinc/43/86/22/1066438622.db2.gz MDYGNLUZDPWMPE-VWLOTQADSA-N 1 1 483.701 4.847 20 0 JJADMO COc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)ccc1OCc1ccc(Cl)cc1Cl ZINC001444287827 1066444076 /nfs/dbraw/zinc/44/40/76/1066444076.db2.gz ZCTVLEHIHPMUFP-MRXNPFEDSA-N 1 1 451.394 4.995 20 0 JJADMO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2N(C(=O)OC(C)(C)C)CC23CCCC3)CC[N@H+]1Cc1ccccc1 ZINC001444300359 1066445283 /nfs/dbraw/zinc/44/52/83/1066445283.db2.gz QIASISMJRTXHSX-YMPZKCBVSA-N 1 1 455.643 4.678 20 0 JJADMO Cc1csc(C[C@@H]2CCCN(C(=O)[C@]3(C(F)(F)F)CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC001455887524 1066446266 /nfs/dbraw/zinc/44/62/66/1066446266.db2.gz KQFUWCYBAPVXSV-UGKGYDQZSA-N 1 1 451.558 4.687 20 0 JJADMO CS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)cc1Cl ZINC001455946834 1066457592 /nfs/dbraw/zinc/45/75/92/1066457592.db2.gz DIFSASLFMOKORW-LEWJYISDSA-N 1 1 461.027 4.620 20 0 JJADMO CC[C@]1(C)CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546077891 1066460046 /nfs/dbraw/zinc/46/00/46/1066460046.db2.gz XQMBLRDPFFLMJU-RZIGYZOXSA-N 1 1 483.701 4.586 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C ZINC001444429323 1066461418 /nfs/dbraw/zinc/46/14/18/1066461418.db2.gz IYHHVVWNEWBXFW-QFIPXVFZSA-N 1 1 457.615 4.857 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C ZINC001444429323 1066461423 /nfs/dbraw/zinc/46/14/23/1066461423.db2.gz IYHHVVWNEWBXFW-QFIPXVFZSA-N 1 1 457.615 4.857 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CC[N@H+](C4CCOCC4)C[C@H]3C)n2CC(C)(C)C(C)C)c1 ZINC001361159824 1066465227 /nfs/dbraw/zinc/46/52/27/1066465227.db2.gz LIVYFAXLSNZEAY-HSZRJFAPSA-N 1 1 483.701 4.846 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC001444506164 1066469456 /nfs/dbraw/zinc/46/94/56/1066469456.db2.gz TWVIHXGTXXDUAA-QHCPKHFHSA-N 1 1 455.643 4.823 20 0 JJADMO Cc1ccc(C)c(OCc2nnc(N3CCS[C@H](C)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361164226 1066475739 /nfs/dbraw/zinc/47/57/39/1066475739.db2.gz ZANUOWOVTLNIAU-IFMALSPDSA-N 1 1 471.715 4.926 20 0 JJADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 ZINC001361164706 1066476288 /nfs/dbraw/zinc/47/62/88/1066476288.db2.gz CHBGZAGFDHASHB-JDSVYEKJSA-N 1 1 453.671 4.612 20 0 JJADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 ZINC001361164697 1066476390 /nfs/dbraw/zinc/47/63/90/1066476390.db2.gz CHBGZAGFDHASHB-IHSPPPAMSA-N 1 1 453.671 4.612 20 0 JJADMO Cc1ccc([C@]2(O)CCN(c3nnc(CC(C)(C)C)n3CCC[N@@H+]3C[C@H](C)C[C@H](C)C3)C2)cc1 ZINC001361166821 1066478502 /nfs/dbraw/zinc/47/85/02/1066478502.db2.gz AJAWKEIRQWJOOS-JWZKTCGFSA-N 1 1 467.702 4.641 20 0 JJADMO COCCOc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c(Cl)c1 ZINC001456029692 1066482119 /nfs/dbraw/zinc/48/21/19/1066482119.db2.gz FLLCPNCQQGWZPM-LJQANCHMSA-N 1 1 451.394 4.803 20 0 JJADMO COCCOc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c(Cl)c1 ZINC001456029692 1066482127 /nfs/dbraw/zinc/48/21/27/1066482127.db2.gz FLLCPNCQQGWZPM-LJQANCHMSA-N 1 1 451.394 4.803 20 0 JJADMO O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)N1CCC[N@H+](C2CCCC2)CC1 ZINC001444609302 1066482189 /nfs/dbraw/zinc/48/21/89/1066482189.db2.gz PNMUUQMOAPDEBN-UHFFFAOYSA-N 1 1 451.398 4.843 20 0 JJADMO C[C@]1(c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCc1nc(C(F)(F)F)cs1 ZINC001444639232 1066486685 /nfs/dbraw/zinc/48/66/85/1066486685.db2.gz QXRHCVBZRJDZTC-AUSIDOKSSA-N 1 1 459.537 4.868 20 0 JJADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)CO[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)CC2)c1C ZINC001456041777 1066488748 /nfs/dbraw/zinc/48/87/48/1066488748.db2.gz WYSRFPKCQIEQOI-BFMBIBTESA-N 1 1 459.675 4.607 20 0 JJADMO C[C@@H](CNC(=O)c1cc(C(F)(F)F)ccc1Sc1cccc(F)c1)C[NH+]1CCOCC1 ZINC001444677741 1066492205 /nfs/dbraw/zinc/49/22/05/1066492205.db2.gz CWSFXPNNEXWYGF-HNNXBMFYSA-N 1 1 456.505 4.694 20 0 JJADMO Cc1ccc(-c2nnc(N(C)C[C@@H](C)c3ccccc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001361175678 1066493483 /nfs/dbraw/zinc/49/34/83/1066493483.db2.gz UQJLWZYXHMKWLN-FCEUIQTBSA-N 1 1 465.642 4.974 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3c(C)noc3C)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC001361178110 1066498173 /nfs/dbraw/zinc/49/81/73/1066498173.db2.gz ZYSBOXMSDFOTRH-SFHVURJKSA-N 1 1 462.598 4.998 20 0 JJADMO Cc1ccc(-c2nnc(N(C)Cc3cscn3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1Br ZINC001361181631 1066503756 /nfs/dbraw/zinc/50/37/56/1066503756.db2.gz RDSGOUOTLQWMKT-INIZCTEOSA-N 1 1 489.487 4.841 20 0 JJADMO Cc1ccc(-c2nnc(N(C)C[C@H]3CCCOC3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1Br ZINC001361184282 1066507133 /nfs/dbraw/zinc/50/71/33/1066507133.db2.gz FAGVDRDLOOXYBP-AZUAARDMSA-N 1 1 490.490 4.611 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCC(C)C)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1Br ZINC001361184634 1066508126 /nfs/dbraw/zinc/50/81/26/1066508126.db2.gz PFRBISGRAINSQV-UHFFFAOYSA-N 1 1 491.522 4.524 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCC(C)C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1Br ZINC001361184634 1066508134 /nfs/dbraw/zinc/50/81/34/1066508134.db2.gz PFRBISGRAINSQV-UHFFFAOYSA-N 1 1 491.522 4.524 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CCC(C)C)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1Br ZINC001361184634 1066508141 /nfs/dbraw/zinc/50/81/41/1066508141.db2.gz PFRBISGRAINSQV-UHFFFAOYSA-N 1 1 491.522 4.524 20 0 JJADMO CC[C@]1(C)CCN(c2nnc(CSc3ccc(C)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001546079442 1066509917 /nfs/dbraw/zinc/50/99/17/1066509917.db2.gz MNWLMNDHLKBDQR-AREMUKBSSA-N 1 1 470.731 4.531 20 0 JJADMO CC[C@]1(C)CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001546079452 1066510384 /nfs/dbraw/zinc/51/03/84/1066510384.db2.gz MSDUCMDLEYBESA-HFZDXXHNSA-N 1 1 455.647 4.613 20 0 JJADMO COc1ccc(Br)cc1-c1ncc(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)s1 ZINC001444853121 1066512554 /nfs/dbraw/zinc/51/25/54/1066512554.db2.gz PERCNVHYMFZFAU-HNNXBMFYSA-N 1 1 452.418 4.528 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2Cc2ccc(F)cc2C(F)(F)F)o1 ZINC001361187824 1066513130 /nfs/dbraw/zinc/51/31/30/1066513130.db2.gz HWJQHAKUUUMNBS-UHFFFAOYSA-N 1 1 495.521 4.600 20 0 JJADMO Cc1ccc(-c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2Cc2ccc(F)cc2C(F)(F)F)o1 ZINC001361187824 1066513136 /nfs/dbraw/zinc/51/31/36/1066513136.db2.gz HWJQHAKUUUMNBS-UHFFFAOYSA-N 1 1 495.521 4.600 20 0 JJADMO O=C(c1ccc(-c2ccco2)[nH]c1=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001444868667 1066514767 /nfs/dbraw/zinc/51/47/67/1066514767.db2.gz SRIAVDKIHJGLJB-GOSISDBHSA-N 1 1 459.468 4.574 20 0 JJADMO Cc1ccc(-c2nnc(N3C[C@H](C)[C@@H](C)C3)n2CC[N@@H+](C)C2CCCC2)cc1Br ZINC001361194257 1066520735 /nfs/dbraw/zinc/52/07/35/1066520735.db2.gz INDGHBNNBXRRHP-ROUUACIJSA-N 1 1 460.464 4.983 20 0 JJADMO C[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001445038743 1066532077 /nfs/dbraw/zinc/53/20/77/1066532077.db2.gz XQKNYOSEGCUDMF-NKKJXINNSA-N 1 1 451.611 4.621 20 0 JJADMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cc4c(Br)cccc4cn3)cc2)C1 ZINC001445047973 1066533242 /nfs/dbraw/zinc/53/32/42/1066533242.db2.gz NFAXYICGMLTEOR-INIZCTEOSA-N 1 1 454.368 4.970 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)n2CC[S@@](=O)C(C)(C)C)o1 ZINC001361204205 1066534619 /nfs/dbraw/zinc/53/46/19/1066534619.db2.gz POOZUALIGJYSAJ-GEMQDWRSSA-N 1 1 489.730 4.875 20 0 JJADMO Cc1ccc(NCCCNC(=O)[C@H](Oc2ccccc2Br)c2ccccc2)[nH+]c1 ZINC001445089887 1066538575 /nfs/dbraw/zinc/53/85/75/1066538575.db2.gz JAUBEWVTRLIMIV-JOCHJYFZSA-N 1 1 454.368 4.891 20 0 JJADMO CC(=O)N(Cc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1)C(C)C ZINC001456250665 1066546643 /nfs/dbraw/zinc/54/66/43/1066546643.db2.gz MAXDKPQSROBVPU-JWQCQUIFSA-N 1 1 476.646 4.754 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)o1 ZINC001361212594 1066547343 /nfs/dbraw/zinc/54/73/43/1066547343.db2.gz NXPZWGHTLVPJDS-RBBKRZOGSA-N 1 1 498.716 4.736 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)o1 ZINC001361212593 1066547397 /nfs/dbraw/zinc/54/73/97/1066547397.db2.gz NXPZWGHTLVPJDS-IRLDBZIGSA-N 1 1 498.716 4.736 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC001361213917 1066549198 /nfs/dbraw/zinc/54/91/98/1066549198.db2.gz DSOINUCLSMLKFQ-GHTZIAJQSA-N 1 1 491.558 4.915 20 0 JJADMO Cc1ccc(-c2nnc(N3CCCC3(C)C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1Br ZINC001361214057 1066549584 /nfs/dbraw/zinc/54/95/84/1066549584.db2.gz HRZVGBVYXCKLDL-FQEVSTJZSA-N 1 1 490.490 4.752 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)o1 ZINC001361214243 1066550280 /nfs/dbraw/zinc/55/02/80/1066550280.db2.gz LEUBHQGLBFIXBM-FYYLOGMGSA-N 1 1 498.716 4.737 20 0 JJADMO Cc1ccc(-c2nnc(N3CCCC3(C)C)n2CCCC[N@H+]2CCC[C@H]2CO)cc1Br ZINC001361214247 1066550351 /nfs/dbraw/zinc/55/03/51/1066550351.db2.gz LIIAJOROBOXNPS-FQEVSTJZSA-N 1 1 490.490 4.632 20 0 JJADMO Cc1ccc(-c2nnc(N3CCCN(C(=O)c4ccc(Cl)cc4)CC3)n2CCC[N@H+](C)C(C)C)o1 ZINC001361217929 1066553995 /nfs/dbraw/zinc/55/39/95/1066553995.db2.gz NQLFUCQDYAHWOG-UHFFFAOYSA-N 1 1 499.059 4.583 20 0 JJADMO Cc1ccc(-c2nnc(N3CCCCCC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1Br ZINC001361218635 1066554952 /nfs/dbraw/zinc/55/49/52/1066554952.db2.gz PMKRHORRNQIQMF-OAQYLSRUSA-N 1 1 490.490 4.753 20 0 JJADMO Cc1ccc(-c2nnc(N3CCCCCC3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1Br ZINC001361218577 1066554986 /nfs/dbraw/zinc/55/49/86/1066554986.db2.gz NWGOSDJUVUEBRB-UHFFFAOYSA-N 1 1 476.463 4.507 20 0 JJADMO Cc1ccc(-c2nnc(N3CCCCCC3)n2CC[N@H+]2CCOC(C)(C)C2)cc1Br ZINC001361218577 1066554994 /nfs/dbraw/zinc/55/49/94/1066554994.db2.gz NWGOSDJUVUEBRB-UHFFFAOYSA-N 1 1 476.463 4.507 20 0 JJADMO Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2Cc2cccc(NC(=O)CC(C)C)c2)o1 ZINC001361219032 1066555742 /nfs/dbraw/zinc/55/57/42/1066555742.db2.gz ZIMUGNVYUYBOJT-UHFFFAOYSA-N 1 1 478.641 4.800 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1 ZINC001456294505 1066556829 /nfs/dbraw/zinc/55/68/29/1066556829.db2.gz RBMLEMXGRMIBMY-ILBGXUMGSA-N 1 1 456.652 4.743 20 0 JJADMO COc1cc(C)c(C(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1OC ZINC001361220453 1066557347 /nfs/dbraw/zinc/55/73/47/1066557347.db2.gz QSACNWHPXATHQY-LJQANCHMSA-N 1 1 450.501 4.539 20 0 JJADMO Cc1ccc(-c2nnc(Nc3ccn(C)n3)n2CC[N@@H+](C)C2CCCCC2)cc1Br ZINC001361233866 1066574410 /nfs/dbraw/zinc/57/44/10/1066574410.db2.gz JMCQGAREUVRWHD-UHFFFAOYSA-N 1 1 472.435 4.758 20 0 JJADMO CCOc1cc2c(cc1CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C)O[C@H](C)C2 ZINC001361238499 1066579132 /nfs/dbraw/zinc/57/91/32/1066579132.db2.gz OXOYUINPUFQZDM-VQTJNVASSA-N 1 1 452.595 4.592 20 0 JJADMO C[C@H](CNC(=O)c1cccnc1Oc1cccc(Br)c1)[N@@H+](C)Cc1ccccc1 ZINC001456402130 1066579284 /nfs/dbraw/zinc/57/92/84/1066579284.db2.gz QHOIROYVSLNBJP-QGZVFWFLSA-N 1 1 454.368 4.887 20 0 JJADMO CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC001445522329 1066580764 /nfs/dbraw/zinc/58/07/64/1066580764.db2.gz GEEMAFBCPQQRQA-JLLPCOHGSA-N 1 1 455.643 4.583 20 0 JJADMO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC001445529648 1066583029 /nfs/dbraw/zinc/58/30/29/1066583029.db2.gz WNOOCEWUHVALCQ-KAMZKSLDSA-N 1 1 455.643 4.535 20 0 JJADMO O=C(CCOc1cccc(Br)c1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001445528629 1066583214 /nfs/dbraw/zinc/58/32/14/1066583214.db2.gz WMHQNSIBHOIEDQ-OFNKIYASSA-N 1 1 457.412 4.731 20 0 JJADMO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001445531673 1066583668 /nfs/dbraw/zinc/58/36/68/1066583668.db2.gz YLZRJYYFLKLQJH-NOXFTYBFSA-N 1 1 457.412 4.730 20 0 JJADMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2c3ccc(Br)cc3nn2C)c1 ZINC001445533759 1066584147 /nfs/dbraw/zinc/58/41/47/1066584147.db2.gz AAPLZFNMCBXGAU-UHFFFAOYSA-N 1 1 457.416 4.888 20 0 JJADMO COc1cc(Cl)c(Br)cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001361243121 1066584796 /nfs/dbraw/zinc/58/47/96/1066584796.db2.gz VIRQIFSGVAKDGU-GDBMZVCRSA-N 1 1 451.792 4.894 20 0 JJADMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cccc(F)c2I)CC1 ZINC001445564645 1066588507 /nfs/dbraw/zinc/58/85/07/1066588507.db2.gz CXRNEYYUAJJMOM-HNNXBMFYSA-N 1 1 458.359 4.547 20 0 JJADMO CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CC(C)C ZINC001361253366 1066601030 /nfs/dbraw/zinc/60/10/30/1066601030.db2.gz SMSGWXTUKUASDC-AOYPEHQESA-N 1 1 478.681 4.570 20 0 JJADMO CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CC(C)C ZINC001361253366 1066601034 /nfs/dbraw/zinc/60/10/34/1066601034.db2.gz SMSGWXTUKUASDC-AOYPEHQESA-N 1 1 478.681 4.570 20 0 JJADMO Cc1ccc(CN(C)c2nnc(Cc3ccccc3C)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001361257671 1066606357 /nfs/dbraw/zinc/60/63/57/1066606357.db2.gz GDYBDFRUVBWALQ-SZPZYZBQSA-N 1 1 465.642 4.603 20 0 JJADMO Cc1ccc(CN(C)c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)o1 ZINC001361260959 1066610908 /nfs/dbraw/zinc/61/09/08/1066610908.db2.gz BWSZVOAUXXQDOU-RBUKOAKNSA-N 1 1 455.578 4.654 20 0 JJADMO Cc1ccc(CN(C)c2nnc(COc3ccccc3F)n2C[C@@H]2CCC[N@H+](C(C)C)C2)o1 ZINC001361260986 1066611013 /nfs/dbraw/zinc/61/10/13/1066611013.db2.gz CPYBNAHENJUGRI-HXUWFJFHSA-N 1 1 455.578 4.654 20 0 JJADMO Cc1ccc(CN(C)c2nnc(COc3ccc(F)cc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)o1 ZINC001361260958 1066611042 /nfs/dbraw/zinc/61/10/42/1066611042.db2.gz BWSZVOAUXXQDOU-OALUTQOASA-N 1 1 455.578 4.654 20 0 JJADMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001445778297 1066615936 /nfs/dbraw/zinc/61/59/36/1066615936.db2.gz CLBRMPQIIOBSJH-YVEFUNNKSA-N 1 1 450.764 4.502 20 0 JJADMO C[C@H]1C[C@H](NC(=O)CCc2nc3cc(Br)ccc3s2)C[N@H+]1Cc1ccccc1 ZINC001445789403 1066617411 /nfs/dbraw/zinc/61/74/11/1066617411.db2.gz JSADIXUMCZJYIN-YJBOKZPZSA-N 1 1 458.425 4.771 20 0 JJADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C ZINC001445790312 1066618065 /nfs/dbraw/zinc/61/80/65/1066618065.db2.gz RWMMBGFNZFLDIQ-XVSDVWIESA-N 1 1 456.414 4.500 20 0 JJADMO C[C@@]1(NC(=O)[C@@H](O)c2ccc(C(F)(F)F)cc2)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001456543574 1066620818 /nfs/dbraw/zinc/62/08/18/1066620818.db2.gz YSBMRBNTWBURFB-KYPHJKQUSA-N 1 1 468.519 4.913 20 0 JJADMO C[N@@H+](CCN(Cc1ccccc1)C(=O)Cc1cccc(N2CCCC2=O)c1)Cc1ccccc1 ZINC001361278786 1066636598 /nfs/dbraw/zinc/63/65/98/1066636598.db2.gz HFKXVEAYIOPNGW-UHFFFAOYSA-N 1 1 455.602 4.517 20 0 JJADMO C=C1c2ccccc2C(=O)N1CCC(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC001361278923 1066636679 /nfs/dbraw/zinc/63/66/79/1066636679.db2.gz KRQMXJNHVWSLFC-UHFFFAOYSA-N 1 1 453.586 4.664 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1ccc(N(C)C(=O)c2ccncc2)cc1 ZINC001456596475 1066637390 /nfs/dbraw/zinc/63/73/90/1066637390.db2.gz PAPORWIUSIPLOV-XNMGPUDCSA-N 1 1 470.617 4.523 20 0 JJADMO O=C(C[C@H](c1ccc(O)cc1)C1CC1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001446003193 1066644040 /nfs/dbraw/zinc/64/40/40/1066644040.db2.gz RKNXVQJAAVGXQL-QHCPKHFHSA-N 1 1 457.412 4.819 20 0 JJADMO Cc1ccccc1OCCCN(C)c1nnc(-c2ccc(Cl)nc2)n1CC[N@@H+]1CCC[C@H]1C ZINC001492598673 1066648489 /nfs/dbraw/zinc/64/84/89/1066648489.db2.gz ORSWPOUNXIUIIX-HXUWFJFHSA-N 1 1 469.033 4.692 20 0 JJADMO O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC001446085172 1066657451 /nfs/dbraw/zinc/65/74/51/1066657451.db2.gz GQMSFOFZFNZLPK-RCZVLFRGSA-N 1 1 452.595 4.862 20 0 JJADMO CC1=CCCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC[N@@H+]2CC=CCC2)C1 ZINC001492609655 1066671113 /nfs/dbraw/zinc/67/11/13/1066671113.db2.gz YTBFICCCZSVAMN-UHFFFAOYSA-N 1 1 462.823 4.779 20 0 JJADMO CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001456708650 1066671520 /nfs/dbraw/zinc/67/15/20/1066671520.db2.gz CMMJDBABNMDPKG-RDJZCZTQSA-N 1 1 456.578 4.888 20 0 JJADMO Cc1onc(-c2cccc(Br)c2)c1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001446190017 1066671765 /nfs/dbraw/zinc/67/17/65/1066671765.db2.gz ISZATCLLZSLRBQ-GHTZIAJQSA-N 1 1 458.331 4.727 20 0 JJADMO Cc1onc(-c2cccc(Br)c2)c1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001446190017 1066671768 /nfs/dbraw/zinc/67/17/68/1066671768.db2.gz ISZATCLLZSLRBQ-GHTZIAJQSA-N 1 1 458.331 4.727 20 0 JJADMO CC1=CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001492609868 1066671773 /nfs/dbraw/zinc/67/17/73/1066671773.db2.gz ZBNMBQBUIWQSQC-HXUWFJFHSA-N 1 1 458.448 4.984 20 0 JJADMO Cc1onc(-c2cccc(Br)c2)c1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001446190036 1066671856 /nfs/dbraw/zinc/67/18/56/1066671856.db2.gz ISZATCLLZSLRBQ-RXVVDRJESA-N 1 1 458.331 4.727 20 0 JJADMO Cc1onc(-c2cccc(Br)c2)c1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001446190036 1066671860 /nfs/dbraw/zinc/67/18/60/1066671860.db2.gz ISZATCLLZSLRBQ-RXVVDRJESA-N 1 1 458.331 4.727 20 0 JJADMO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001446193771 1066673319 /nfs/dbraw/zinc/67/33/19/1066673319.db2.gz NKGVDDDKHQJFOV-XCYUPCBOSA-N 1 1 455.574 4.589 20 0 JJADMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001446193771 1066673322 /nfs/dbraw/zinc/67/33/22/1066673322.db2.gz NKGVDDDKHQJFOV-XCYUPCBOSA-N 1 1 455.574 4.589 20 0 JJADMO C[N@H+]1CC[C@H](NC(=O)C[C@@H]2c3ccccc3CN2C(=O)OC(C)(C)C)[C@@H]1c1ccc(F)cc1 ZINC001446193866 1066674154 /nfs/dbraw/zinc/67/41/54/1066674154.db2.gz IUXMFSNIOPPFHT-ZDXQCDESSA-N 1 1 453.558 4.569 20 0 JJADMO CC1=CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001492614045 1066677548 /nfs/dbraw/zinc/67/75/48/1066677548.db2.gz RDSIFMJFIQFZPS-ZRBLBEILSA-N 1 1 486.705 4.875 20 0 JJADMO C[C@H](NC(=O)c1ccc(Oc2cccc(Cl)c2)cn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001456743859 1066679657 /nfs/dbraw/zinc/67/96/57/1066679657.db2.gz GYRONVGLTBRGOR-MHECFPHRSA-N 1 1 451.954 4.547 20 0 JJADMO C[C@H](NC(=O)c1ccc(Oc2cccc(Cl)c2)cn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001456743859 1066679662 /nfs/dbraw/zinc/67/96/62/1066679662.db2.gz GYRONVGLTBRGOR-MHECFPHRSA-N 1 1 451.954 4.547 20 0 JJADMO CCN(Cc1ccccc1)c1ccc(C(=O)N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC001456746945 1066680490 /nfs/dbraw/zinc/68/04/90/1066680490.db2.gz LJYXKNQGHDUKIT-QDPGVEIFSA-N 1 1 457.618 4.732 20 0 JJADMO CCN(Cc1ccccc1)c1ccc(C(=O)N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC001456746945 1066680499 /nfs/dbraw/zinc/68/04/99/1066680499.db2.gz LJYXKNQGHDUKIT-QDPGVEIFSA-N 1 1 457.618 4.732 20 0 JJADMO C[C@@H]1C[C@H](CCNC(=O)Cc2c[nH]c3ccc(Br)cc23)C[N@H+]1Cc1ccccc1 ZINC001446263639 1066681329 /nfs/dbraw/zinc/68/13/29/1066681329.db2.gz UVBHLQBEJSZHSR-MJGOQNOKSA-N 1 1 454.412 4.890 20 0 JJADMO C[N@H+]1CCC[C@@H](CNC(=O)C2(c3cc(F)cc(Br)c3)CC2)[C@@H]1c1cccs1 ZINC001456775045 1066687747 /nfs/dbraw/zinc/68/77/47/1066687747.db2.gz YJVLFRTWHYVGQB-IFXJQAMLSA-N 1 1 451.405 4.881 20 0 JJADMO O=C(NCC1(c2cccc(Br)c2)CCCC1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001446364047 1066697013 /nfs/dbraw/zinc/69/70/13/1066697013.db2.gz GUPGYNRXAZNWOB-FQEVSTJZSA-N 1 1 456.428 4.684 20 0 JJADMO O=C([C@@H]1CCC[N@@H+](CCc2ccccc2)C1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001446390207 1066701085 /nfs/dbraw/zinc/70/10/85/1066701085.db2.gz HCSJWMHWKNFKNN-RTBURBONSA-N 1 1 451.558 4.823 20 0 JJADMO Cc1cnc([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)s1 ZINC001492630161 1066705053 /nfs/dbraw/zinc/70/50/53/1066705053.db2.gz OWHBCCPFKCPRHP-INIZCTEOSA-N 1 1 474.078 4.873 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCC1(c2ccccc2)CC(O)(C(F)(F)F)C1 ZINC001456865377 1066709017 /nfs/dbraw/zinc/70/90/17/1066709017.db2.gz ILNLXJOPMILUCK-UGQKFETKSA-N 1 1 474.567 4.676 20 0 JJADMO Cc1ccc([C@@H](Cn2ccnc2)NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)c(C)c1 ZINC001446585729 1066724048 /nfs/dbraw/zinc/72/40/48/1066724048.db2.gz RABJHFIPOAHHLX-BJKOFHAPSA-N 1 1 452.549 4.515 20 0 JJADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001456936462 1066726072 /nfs/dbraw/zinc/72/60/72/1066726072.db2.gz JGMXOWWLMUDZJF-BJKOFHAPSA-N 1 1 457.659 4.831 20 0 JJADMO Cc1c(C(=O)Nc2cccc3c2C[N@@H+](CC(C)C)C3)nnn1-c1cccc(Br)c1 ZINC001446641767 1066727734 /nfs/dbraw/zinc/72/77/34/1066727734.db2.gz WGOKHJCBCZICOW-UHFFFAOYSA-N 1 1 454.372 4.562 20 0 JJADMO Cc1csc([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC001492640374 1066731340 /nfs/dbraw/zinc/73/13/40/1066731340.db2.gz WSEUDPDGFWHCCC-SFHVURJKSA-N 1 1 470.662 4.897 20 0 JJADMO CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(C)(C)C ZINC001446716685 1066734042 /nfs/dbraw/zinc/73/40/42/1066734042.db2.gz RUXZKSNPIIGFBM-WBADGQHESA-N 1 1 457.659 4.733 20 0 JJADMO Cc1csc([C@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCC[N@H+](CC(C)C)C3)CCO2)n1 ZINC001492641901 1066734440 /nfs/dbraw/zinc/73/44/40/1066734440.db2.gz PIFNMAQRLMLWAD-NHCUHLMSSA-N 1 1 474.719 4.578 20 0 JJADMO O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456981182 1066734963 /nfs/dbraw/zinc/73/49/63/1066734963.db2.gz DNGYSRKTCMUXSO-CEXWTWQISA-N 1 1 452.467 4.981 20 0 JJADMO Cc1noc(-c2ccc(C(=O)N(C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC(F)(F)F)cc2)n1 ZINC001456980206 1066735023 /nfs/dbraw/zinc/73/50/23/1066735023.db2.gz BKXLXPHLXZBGNG-IBGZPJMESA-N 1 1 458.484 4.572 20 0 JJADMO CC[C@@]1(C)CN(c2nnc(-c3cccc(OC)c3)n2CCCC[N@H+]2CCCC[C@H]2C)CCO1 ZINC001546085932 1066735486 /nfs/dbraw/zinc/73/54/86/1066735486.db2.gz VLIGMGFWXPOJKS-RLWLMLJZSA-N 1 1 455.647 4.614 20 0 JJADMO Cc1cc(-c2nc(C(=O)N(C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC(F)(F)F)co2)ccn1 ZINC001456982868 1066735509 /nfs/dbraw/zinc/73/55/09/1066735509.db2.gz JYIBPCHFWSIOAC-LJQANCHMSA-N 1 1 458.484 4.572 20 0 JJADMO COc1ccc2c(ccn2CC(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)c1 ZINC001456989629 1066736978 /nfs/dbraw/zinc/73/69/78/1066736978.db2.gz ZCEVWYSMERGPPU-HXUWFJFHSA-N 1 1 459.512 4.563 20 0 JJADMO CC[N@@H+](CCC1CCN(C(=O)c2ccccc2CCNC(=O)OC(C)(C)C)CC1)CC(C)C ZINC001446773757 1066737552 /nfs/dbraw/zinc/73/75/52/1066737552.db2.gz ZOZBPYJUMCOPJL-UHFFFAOYSA-N 1 1 459.675 4.974 20 0 JJADMO CC[N@@H+](CCC1CCN(C(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)CC1)CC1CC1 ZINC001446782151 1066738680 /nfs/dbraw/zinc/73/86/80/1066738680.db2.gz QFVWMJALYGJQJS-UHFFFAOYSA-N 1 1 455.521 4.772 20 0 JJADMO O=C(Cc1c[nH]c2cnc(Cl)cc12)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001446796180 1066741066 /nfs/dbraw/zinc/74/10/66/1066741066.db2.gz NZNMGCAXONQRHY-UHFFFAOYSA-N 1 1 451.785 4.846 20 0 JJADMO Cc1csc(CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001492645278 1066745415 /nfs/dbraw/zinc/74/54/15/1066745415.db2.gz QKXPTVLJHMLTDT-QHCPKHFHSA-N 1 1 494.709 4.725 20 0 JJADMO O=C(Cc1csc(-c2cc(Br)cs2)n1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001457117834 1066766426 /nfs/dbraw/zinc/76/64/26/1066766426.db2.gz CRIDQAQGJKQIAJ-HNNXBMFYSA-N 1 1 454.459 4.557 20 0 JJADMO COc1ccc([C@H](C)NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c(Br)c1 ZINC001447018937 1066766674 /nfs/dbraw/zinc/76/66/74/1066766674.db2.gz XZDJLEZJKDUPOV-LAUBAEHRSA-N 1 1 457.412 4.937 20 0 JJADMO Cc1[nH]c(=O)c(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1-c1ccccc1 ZINC001447107093 1066774115 /nfs/dbraw/zinc/77/41/15/1066774115.db2.gz SAUVCBJFHGNTGU-MBSDFSHPSA-N 1 1 453.945 4.978 20 0 JJADMO C[N@@H+](CCCOc1ccccc1CNC(=O)Cc1ccccc1Br)C1CCCC1 ZINC001457161818 1066776946 /nfs/dbraw/zinc/77/69/46/1066776946.db2.gz ICEWBVHKHVGGTP-UHFFFAOYSA-N 1 1 459.428 4.951 20 0 JJADMO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)c1 ZINC001447137862 1066777607 /nfs/dbraw/zinc/77/76/07/1066777607.db2.gz VPINWKORAMUPBL-NXCFDTQHSA-N 1 1 477.649 4.630 20 0 JJADMO CC(C)(C)n1cc(Br)c(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n1 ZINC001457179481 1066781436 /nfs/dbraw/zinc/78/14/36/1066781436.db2.gz UOPKMFPLPGOIKO-HSZRJFAPSA-N 1 1 459.432 4.529 20 0 JJADMO CCN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001457187038 1066782318 /nfs/dbraw/zinc/78/23/18/1066782318.db2.gz MSAWQJCTFXXAMS-HSZRJFAPSA-N 1 1 455.643 4.537 20 0 JJADMO Cc1nc(Cc2nnc(N(C)C3CCC(C)CC3)n2CC[N@@H+](C)Cc2ccccc2)cs1 ZINC001492664756 1066785091 /nfs/dbraw/zinc/78/50/91/1066785091.db2.gz WOGBOAIUXPYKOI-UHFFFAOYSA-N 1 1 452.672 4.781 20 0 JJADMO Cc1nc(Cc2nnc(N(C)Cc3ccoc3C)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)cs1 ZINC001492665837 1066788273 /nfs/dbraw/zinc/78/82/73/1066788273.db2.gz BGIXBSKOSIRGAZ-KRWDZBQOSA-N 1 1 456.660 4.682 20 0 JJADMO CN(C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001447300259 1066788607 /nfs/dbraw/zinc/78/86/07/1066788607.db2.gz BRPXYZDXPMJELO-LEWJYISDSA-N 1 1 451.442 4.884 20 0 JJADMO Cc1nc(Cc2nnc(N(C)Cc3ccc(F)cc3F)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)cs1 ZINC001492665989 1066788897 /nfs/dbraw/zinc/78/88/97/1066788897.db2.gz DJMZAQWNEXHOOT-DLBZAZTESA-N 1 1 474.625 4.669 20 0 JJADMO Cc1nc(Cc2nnc(N(C)Cc3ccc(F)cc3F)n2C[C@H]2CCC[N@H+](CC(C)C)C2)cs1 ZINC001492666410 1066791557 /nfs/dbraw/zinc/79/15/57/1066791557.db2.gz SGUWMOGJZIYISU-IBGZPJMESA-N 1 1 488.652 4.916 20 0 JJADMO C[C@H]1C[C@H](NC(=O)c2ccc(OC(F)F)c(Br)c2)CC[N@H+]1Cc1ccccc1 ZINC001457227662 1066794361 /nfs/dbraw/zinc/79/43/61/1066794361.db2.gz KJDYXRNGLIDKAY-WMLDXEAASA-N 1 1 453.327 4.833 20 0 JJADMO C[C@H]1C[C@@H](NC(=O)c2cc(-c3ccc(Br)cc3)no2)CC[N@H+]1Cc1ccccc1 ZINC001457239317 1066796462 /nfs/dbraw/zinc/79/64/62/1066796462.db2.gz LRFWMDXNJREIHO-JXFKEZNVSA-N 1 1 454.368 4.887 20 0 JJADMO Cc1nc(Cc2nnc(N(C)CCC(F)(F)F)n2Cc2ccc(-n3cc[nH+]c3C)c(F)c2)cs1 ZINC001492668780 1066796930 /nfs/dbraw/zinc/79/69/30/1066796930.db2.gz XKAUOFYUTGGHCO-UHFFFAOYSA-N 1 1 493.534 4.704 20 0 JJADMO C[C@@H]1C[C@H](NC(=O)c2cc(-c3ccc(Br)cc3)no2)CC[N@H+]1Cc1ccccc1 ZINC001457239319 1066797095 /nfs/dbraw/zinc/79/70/95/1066797095.db2.gz LRFWMDXNJREIHO-OXQOHEQNSA-N 1 1 454.368 4.887 20 0 JJADMO Cc1nc(Cc2nnc(N(C)CCC(C)C)n2Cc2ccc(-n3cc[nH+]c3C)c(F)c2)cs1 ZINC001492668794 1066797407 /nfs/dbraw/zinc/79/74/07/1066797407.db2.gz XWUKGHRCUPAGIG-UHFFFAOYSA-N 1 1 467.618 4.798 20 0 JJADMO CCN(C(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001447361482 1066798668 /nfs/dbraw/zinc/79/86/68/1066798668.db2.gz RWGIWICHTRAQCZ-IAPPQJPRSA-N 1 1 458.602 4.812 20 0 JJADMO Cc1nc(Cc2nnc(N(Cc3cccc(F)c3)C(C)C)n2CC[N@H+]2CCC[C@@H]2C)cs1 ZINC001492670548 1066800657 /nfs/dbraw/zinc/80/06/57/1066800657.db2.gz WQGKFBRYWVDNLU-SFHVURJKSA-N 1 1 456.635 4.672 20 0 JJADMO Cc1nc(Cc2nnc(N3CC(C)(C)OC(C)(C)C3)n2CCC[N@H+](C)Cc2ccccc2)cs1 ZINC001492671216 1066801395 /nfs/dbraw/zinc/80/13/95/1066801395.db2.gz SPVDSZGPZMZCAD-UHFFFAOYSA-N 1 1 482.698 4.550 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC(C(C)C)CC3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)cs1 ZINC001492673426 1066806647 /nfs/dbraw/zinc/80/66/47/1066806647.db2.gz SWSYKWDEOVMAAY-OAQYLSRUSA-N 1 1 458.720 4.874 20 0 JJADMO CC(C)[N@H+]1CCC[C@H](NC(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC001447428476 1066808089 /nfs/dbraw/zinc/80/80/89/1066808089.db2.gz BGECJYPWOSINSZ-IBGZPJMESA-N 1 1 457.500 4.556 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC001447428482 1066808114 /nfs/dbraw/zinc/80/81/14/1066808114.db2.gz BGECJYPWOSINSZ-LJQANCHMSA-N 1 1 457.500 4.556 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CCO[C@H]2CCCC[C@H]2C)cs1 ZINC001492674661 1066809637 /nfs/dbraw/zinc/80/96/37/1066809637.db2.gz FRNKFPHPPYELGM-YKSBVNFPSA-N 1 1 488.746 4.786 20 0 JJADMO C[C@@H]1CCCN(C(=O)[C@@H](C[N@@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)c2ccccc21 ZINC001447469681 1066812658 /nfs/dbraw/zinc/81/26/58/1066812658.db2.gz APSPBCFTANJEGW-NFBKMPQASA-N 1 1 451.611 4.942 20 0 JJADMO CC(C)N1CC[NH+](CCCC(=O)N[C@H](CC(F)(F)F)c2cccc(C(F)(F)F)c2)CC1 ZINC001447490870 1066815227 /nfs/dbraw/zinc/81/52/27/1066815227.db2.gz WKFLQPOUQPMVEY-GOSISDBHSA-N 1 1 453.471 4.621 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cs1 ZINC001492677046 1066815567 /nfs/dbraw/zinc/81/55/67/1066815567.db2.gz URUSCSXTCACOLS-SJLPKXTDSA-N 1 1 470.609 4.533 20 0 JJADMO CC[C@@H]1CN(C(=O)C[C@H](O)c2ccc(OCc3ccccc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001447501682 1066816168 /nfs/dbraw/zinc/81/61/68/1066816168.db2.gz SIVRHMLCMUPOFE-IAPPQJPRSA-N 1 1 458.602 4.812 20 0 JJADMO O=C(NCc1cc(Cl)cc2c1OCC2)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001447508702 1066816716 /nfs/dbraw/zinc/81/67/16/1066816716.db2.gz OGBKOCBESKMUIG-DEOSSOPVSA-N 1 1 452.957 4.932 20 0 JJADMO Cc1nc(Cc2nnc(N3CCC[C@H]3C(C)C)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)cs1 ZINC001492678472 1066818757 /nfs/dbraw/zinc/81/87/57/1066818757.db2.gz YDKMZOCVDBWKCG-CVDCTZTESA-N 1 1 452.672 4.779 20 0 JJADMO CC[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)OC ZINC001545997241 1066821386 /nfs/dbraw/zinc/82/13/86/1066821386.db2.gz LSDZOZBUMBVXBV-PXDATVDWSA-N 1 1 471.665 4.914 20 0 JJADMO CC[C@H](Cn1c(CC(C)C)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)[N@H+]1CCc2ccccc2C1 ZINC001545997989 1066826064 /nfs/dbraw/zinc/82/60/64/1066826064.db2.gz ZSYFBBNMMRBMNT-UFHPHHKVSA-N 1 1 467.702 4.955 20 0 JJADMO O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)c1ccccc1SCc1cscn1 ZINC001447652846 1066836517 /nfs/dbraw/zinc/83/65/17/1066836517.db2.gz VWIKRUQHCLMGKX-HXUWFJFHSA-N 1 1 455.674 4.783 20 0 JJADMO O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)c1ccccc1SCc1cscn1 ZINC001447652846 1066836524 /nfs/dbraw/zinc/83/65/24/1066836524.db2.gz VWIKRUQHCLMGKX-HXUWFJFHSA-N 1 1 455.674 4.783 20 0 JJADMO Cc1ncc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+](C)C2CCCCC2)s1 ZINC001492696592 1066847144 /nfs/dbraw/zinc/84/71/44/1066847144.db2.gz RBCBMTCTYAMGDP-UHFFFAOYSA-N 1 1 495.697 4.813 20 0 JJADMO Cc1ncc(CN(C)c2nnc(-c3cccc(Br)c3)n2CC[N@@H+](C)C2CCCC2)s1 ZINC001492696621 1066847750 /nfs/dbraw/zinc/84/77/50/1066847750.db2.gz RYLADKFBKOGONN-UHFFFAOYSA-N 1 1 489.487 4.983 20 0 JJADMO Cc1ncc(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2CCCCn2cc[nH+]c2C)s1 ZINC001492698008 1066850240 /nfs/dbraw/zinc/85/02/40/1066850240.db2.gz KMRNZXYEYQHDQV-UHFFFAOYSA-N 1 1 470.046 4.909 20 0 JJADMO Cc1ncc(CN(C)c2nnc(Cc3ccsc3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)s1 ZINC001492698558 1066851663 /nfs/dbraw/zinc/85/16/63/1066851663.db2.gz BTSSKIMBUOOBRA-SFHVURJKSA-N 1 1 466.680 4.852 20 0 JJADMO CC[C@@H](NC(=O)c1cc(OCc2ccccc2)cs1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001457534357 1066854508 /nfs/dbraw/zinc/85/45/08/1066854508.db2.gz CHJNWYHBARTXDM-RPWUZVMVSA-N 1 1 450.604 4.737 20 0 JJADMO CC[C@@H](NC(=O)c1cc(OCc2ccccc2)cs1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001457534357 1066854512 /nfs/dbraw/zinc/85/45/12/1066854512.db2.gz CHJNWYHBARTXDM-RPWUZVMVSA-N 1 1 450.604 4.737 20 0 JJADMO CC[C@H](NC(=O)[C@@H](CC)c1ccc(Br)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001457539263 1066855167 /nfs/dbraw/zinc/85/51/67/1066855167.db2.gz JVQLAUBPMDQEHZ-RJGXRXQPSA-N 1 1 459.428 4.739 20 0 JJADMO CC[C@H](NC(=O)[C@@H](CC)c1ccc(Br)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001457539263 1066855174 /nfs/dbraw/zinc/85/51/74/1066855174.db2.gz JVQLAUBPMDQEHZ-RJGXRXQPSA-N 1 1 459.428 4.739 20 0 JJADMO CC[C@H](NC(=O)[C@@H](CC)c1ccc(Br)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001457539266 1066855236 /nfs/dbraw/zinc/85/52/36/1066855236.db2.gz JVQLAUBPMDQEHZ-VABKMULXSA-N 1 1 459.428 4.739 20 0 JJADMO CC[C@H](NC(=O)[C@@H](CC)c1ccc(Br)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001457539266 1066855242 /nfs/dbraw/zinc/85/52/42/1066855242.db2.gz JVQLAUBPMDQEHZ-VABKMULXSA-N 1 1 459.428 4.739 20 0 JJADMO CN(C(=O)[C@@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001457540543 1066855901 /nfs/dbraw/zinc/85/59/01/1066855901.db2.gz UYQXYEOTIJVVAD-RBZQAINGSA-N 1 1 457.659 4.973 20 0 JJADMO CN(C(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001457540577 1066855917 /nfs/dbraw/zinc/85/59/17/1066855917.db2.gz UYQXYEOTIJVVAD-VXNXHJTFSA-N 1 1 457.659 4.973 20 0 JJADMO Cc1ncc(Cn2c(CC(C)(C)C)nnc2N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC001492701318 1066857847 /nfs/dbraw/zinc/85/78/47/1066857847.db2.gz ROBMHHODJLWLKX-NRFANRHFSA-N 1 1 452.672 4.781 20 0 JJADMO CC[C@@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001457552424 1066859304 /nfs/dbraw/zinc/85/93/04/1066859304.db2.gz YFVNIKALWPUWNF-TZIWHRDSSA-N 1 1 458.027 4.678 20 0 JJADMO CC[C@@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001457552424 1066859309 /nfs/dbraw/zinc/85/93/09/1066859309.db2.gz YFVNIKALWPUWNF-TZIWHRDSSA-N 1 1 458.027 4.678 20 0 JJADMO CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC001447805915 1066862877 /nfs/dbraw/zinc/86/28/77/1066862877.db2.gz SNCQXSAJBPGNML-CQSZACIVSA-N 1 1 454.398 4.689 20 0 JJADMO Cc1nccn1-c1ccc(Cn2c(C(C)C)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)cc1F ZINC001492704361 1066863181 /nfs/dbraw/zinc/86/31/81/1066863181.db2.gz ZWMGCBAAPZRMKC-UHFFFAOYSA-N 1 1 467.637 4.640 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(C)C)C1 ZINC001492704382 1066863217 /nfs/dbraw/zinc/86/32/17/1066863217.db2.gz AMTCQJMYSNLEDL-GOTSBHOMSA-N 1 1 499.704 4.860 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001492705452 1066864572 /nfs/dbraw/zinc/86/45/72/1066864572.db2.gz GHXCVGZCENLEJO-XXBNENTESA-N 1 1 484.620 4.794 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCS[C@H](C)[C@H]1C ZINC001492705349 1066864675 /nfs/dbraw/zinc/86/46/75/1066864675.db2.gz CUWXTDAYWRWXQP-CEXWTWQISA-N 1 1 472.634 4.873 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001492705450 1066864705 /nfs/dbraw/zinc/86/47/05/1066864705.db2.gz GHXCVGZCENLEJO-CVDCTZTESA-N 1 1 484.620 4.794 20 0 JJADMO COc1ccc(CCC(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c(Br)c1 ZINC001457567705 1066864693 /nfs/dbraw/zinc/86/46/93/1066864693.db2.gz RFSUDFBIMYTYCC-PFWHTEFJSA-N 1 1 459.428 4.663 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001492705352 1066864936 /nfs/dbraw/zinc/86/49/36/1066864936.db2.gz CUWXTDAYWRWXQP-QYZOEREBSA-N 1 1 472.634 4.873 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2cccc(Br)c2)nnc1N(C)[C@H]1CCSC1 ZINC001492705460 1066865535 /nfs/dbraw/zinc/86/55/35/1066865535.db2.gz GQPALHXAUWLUQG-IBGZPJMESA-N 1 1 475.460 4.635 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 ZINC001457569238 1066865789 /nfs/dbraw/zinc/86/57/89/1066865789.db2.gz ZRLGPNSTJWUPOL-NEEULUBSSA-N 1 1 455.602 4.850 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2ccc(Br)cc2)nnc1N(C)[C@@H]1CCSC1 ZINC001492705785 1066866253 /nfs/dbraw/zinc/86/62/53/1066866253.db2.gz RCJLUZFGXJMNIK-LJQANCHMSA-N 1 1 475.460 4.635 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001492705960 1066866975 /nfs/dbraw/zinc/86/69/75/1066866975.db2.gz YASOCMIEFOBJQG-FHWLQOOXSA-N 1 1 472.634 4.873 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1nccs1 ZINC001492705927 1066867004 /nfs/dbraw/zinc/86/70/04/1066867004.db2.gz WXTDJNGTNATVON-UHFFFAOYSA-N 1 1 486.443 4.786 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(COc2ccccc2F)nnc1N1CC[C@@H](C)C(C)(C)C1 ZINC001492706170 1066867406 /nfs/dbraw/zinc/86/74/06/1066867406.db2.gz FGRRBLQSAALCFY-LJQANCHMSA-N 1 1 454.594 4.854 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001492706178 1066867483 /nfs/dbraw/zinc/86/74/83/1066867483.db2.gz FOAXKGGUCSMNKV-ZLNRFVROSA-N 1 1 497.688 4.827 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H](C)C1 ZINC001492706198 1066867603 /nfs/dbraw/zinc/86/76/03/1066867603.db2.gz FYAHTEFSBYHIAP-SFHVURJKSA-N 1 1 487.446 4.841 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(CCOc2ccccc2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001492706083 1066867631 /nfs/dbraw/zinc/86/76/31/1066867631.db2.gz BOZZQQPTFHUGLS-UHFFFAOYSA-N 1 1 476.547 4.664 20 0 JJADMO Cc1[nH+]ccn1CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001492706395 1066868485 /nfs/dbraw/zinc/86/84/85/1066868485.db2.gz LVGQQZRYPFCMTD-SANMLTNESA-N 1 1 486.611 4.774 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC1CC(F)C1 ZINC001492707162 1066870183 /nfs/dbraw/zinc/87/01/83/1066870183.db2.gz MWTJHOKRFCZEIN-VQSBYGRUSA-N 1 1 460.985 4.851 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001492707465 1066870646 /nfs/dbraw/zinc/87/06/46/1066870646.db2.gz WOJUNOXPYFXBIE-MRXNPFEDSA-N 1 1 463.449 4.847 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOC(C)(C)C1 ZINC001492707418 1066870758 /nfs/dbraw/zinc/87/07/58/1066870758.db2.gz UXOROVCFILQPCA-UHFFFAOYSA-N 1 1 493.837 4.571 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001492708187 1066871423 /nfs/dbraw/zinc/87/14/23/1066871423.db2.gz RZJZPYHFLBSKSQ-RHSMWYFYSA-N 1 1 497.363 4.937 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(-c2ccccc2Cl)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001492707660 1066871451 /nfs/dbraw/zinc/87/14/51/1066871451.db2.gz DOOXTPRNTQGCML-UHFFFAOYSA-N 1 1 456.381 4.879 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccccc1Br ZINC001492708287 1066871528 /nfs/dbraw/zinc/87/15/28/1066871528.db2.gz VSVCLWDKVRWWKV-FQEVSTJZSA-N 1 1 473.419 4.514 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001492707750 1066871797 /nfs/dbraw/zinc/87/17/97/1066871797.db2.gz GQCPHPBSEDNNIH-VQTJNVASSA-N 1 1 485.677 4.613 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001492708483 1066872086 /nfs/dbraw/zinc/87/20/86/1066872086.db2.gz BUNCSUFYDYJNBH-MRXNPFEDSA-N 1 1 493.439 4.763 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1ccoc1 ZINC001492708563 1066872140 /nfs/dbraw/zinc/87/21/40/1066872140.db2.gz DYYYZQHVLNZXKA-UHFFFAOYSA-N 1 1 462.598 4.979 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001492708645 1066872469 /nfs/dbraw/zinc/87/24/69/1066872469.db2.gz HMOPLGRKBWNXPO-UHFFFAOYSA-N 1 1 487.505 4.653 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(C2CCCC2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001492708351 1066872567 /nfs/dbraw/zinc/87/25/67/1066872567.db2.gz XFESATZKNSCKIU-LJQANCHMSA-N 1 1 485.677 4.661 20 0 JJADMO Cc1[nH+]ccn1CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001492709303 1066873659 /nfs/dbraw/zinc/87/36/59/1066873659.db2.gz FFVNJNFAWCTBJD-SFHVURJKSA-N 1 1 452.578 4.945 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(N2CCO[C@H](c3cccc(Br)c3)C2)nnc1C(C)(C)C ZINC001492709333 1066873880 /nfs/dbraw/zinc/87/38/80/1066873880.db2.gz GJKITKKNVLNQHU-FQEVSTJZSA-N 1 1 487.446 4.511 20 0 JJADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001492709259 1066873972 /nfs/dbraw/zinc/87/39/72/1066873972.db2.gz CVEIOMDLCQTLOS-SFTDATJTSA-N 1 1 485.677 4.818 20 0 JJADMO Cc1nccn1CCCn1c(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nnc1C(C)(C)C ZINC001492709894 1066874400 /nfs/dbraw/zinc/87/44/00/1066874400.db2.gz XBLWLXBFGARIGJ-ZJSXRUAMSA-N 1 1 463.674 4.660 20 0 JJADMO Cc1[nH+]ccn1CCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCCCO1 ZINC001492709737 1066874507 /nfs/dbraw/zinc/87/45/07/1066874507.db2.gz SNASGFQKVNCBGH-HXUWFJFHSA-N 1 1 475.062 4.824 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2cc(F)ccc2Br)nnc1N(C)CCc1cccs1 ZINC001492710286 1066875073 /nfs/dbraw/zinc/87/50/73/1066875073.db2.gz JYCRVBLZAGFJJD-UHFFFAOYSA-N 1 1 489.418 4.792 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC001492710305 1066875102 /nfs/dbraw/zinc/87/51/02/1066875102.db2.gz KOTDWXUAGGZYLQ-ZIAGYGMSSA-N 1 1 463.811 4.658 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](C(C)C)C1 ZINC001492710371 1066875159 /nfs/dbraw/zinc/87/51/59/1066875159.db2.gz MWJPYTAFHWOXKV-IBGZPJMESA-N 1 1 457.420 4.785 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(C(C)C)CC1 ZINC001492710147 1066875346 /nfs/dbraw/zinc/87/53/46/1066875346.db2.gz GALBCNNIVVUKJO-UHFFFAOYSA-N 1 1 475.410 4.924 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](CC(C)C)C1 ZINC001492710603 1066875894 /nfs/dbraw/zinc/87/58/94/1066875894.db2.gz VTSUUOWJBKXTAY-KRWDZBQOSA-N 1 1 475.410 4.924 20 0 JJADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001492710697 1066875980 /nfs/dbraw/zinc/87/59/80/1066875980.db2.gz YSDVUFUDTCBRTG-UHFFFAOYSA-N 1 1 493.843 4.520 20 0 JJADMO Cc1[nH+]ccn1CCn1c(CC(C)(C)C)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 ZINC001492710798 1066876738 /nfs/dbraw/zinc/87/67/38/1066876738.db2.gz CBAJVRGTOKLHIZ-MRXNPFEDSA-N 1 1 471.447 4.958 20 0 JJADMO Cc1nccn1CCn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001492710835 1066876830 /nfs/dbraw/zinc/87/68/30/1066876830.db2.gz DCQOYJGIEBOYFT-ZJSXRUAMSA-N 1 1 463.674 4.561 20 0 JJADMO Cc1nccn1CCn1c(CC(C)(C)C)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001492710833 1066876935 /nfs/dbraw/zinc/87/69/35/1066876935.db2.gz DCQOYJGIEBOYFT-URXFXBBRSA-N 1 1 463.674 4.561 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O ZINC001457608699 1066877279 /nfs/dbraw/zinc/87/72/79/1066877279.db2.gz QDXHXAVKWKUBJY-ILBGXUMGSA-N 1 1 461.581 4.769 20 0 JJADMO Cc1c(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)cnn1-c1cccc(Br)c1 ZINC001457610104 1066877416 /nfs/dbraw/zinc/87/74/16/1066877416.db2.gz KISBMEQMCDTFKQ-OAQYLSRUSA-N 1 1 459.432 4.718 20 0 JJADMO Cc1[nH+]ccn1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)c1ccccc1F ZINC001492712989 1066878485 /nfs/dbraw/zinc/87/84/85/1066878485.db2.gz TUJNJALFIVLGSD-RLLQIKCJSA-N 1 1 497.619 4.590 20 0 JJADMO Cc1nn(C)c(C)c1CN(C)c1nnc(C(C)C)n1CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001492716684 1066882129 /nfs/dbraw/zinc/88/21/29/1066882129.db2.gz TYQWDFKTPIRBFB-GBXCKJPGSA-N 1 1 463.674 4.689 20 0 JJADMO Cc1nn(C)c(C)c1CN(C)c1nnc(C(C)(C)C)n1C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001492716810 1066882619 /nfs/dbraw/zinc/88/26/19/1066882619.db2.gz YJZSMBVAQQGKMM-XMMPIXPASA-N 1 1 477.701 4.865 20 0 JJADMO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC[N@H+](C)C(C)C ZINC001492717105 1066883270 /nfs/dbraw/zinc/88/32/70/1066883270.db2.gz JKFZWOWMRQTZHY-UHFFFAOYSA-N 1 1 478.472 4.969 20 0 JJADMO Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCn1cc[nH+]c1C ZINC001492717261 1066883819 /nfs/dbraw/zinc/88/38/19/1066883819.db2.gz PBAVQHMTMBZNIG-LJQANCHMSA-N 1 1 497.047 4.653 20 0 JJADMO Cc1ccc(CNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)c(OC[C@H]2CCOC2)c1 ZINC001457623622 1066884363 /nfs/dbraw/zinc/88/43/63/1066884363.db2.gz KTWPMLZZGDOVSO-VWLOTQADSA-N 1 1 458.602 4.972 20 0 JJADMO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2Cl)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001492718121 1066886635 /nfs/dbraw/zinc/88/66/35/1066886635.db2.gz UDMPOQMCEHQXCX-ZWKOTPCHSA-N 1 1 470.065 4.706 20 0 JJADMO Cc1nn(C)c(C)c1CN(C)c1nnc(CC(C)(C)C)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001492718989 1066888025 /nfs/dbraw/zinc/88/80/25/1066888025.db2.gz CDZFRKZYRCNKMZ-QFIPXVFZSA-N 1 1 455.695 4.651 20 0 JJADMO O=C(N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001448008944 1066889962 /nfs/dbraw/zinc/88/99/62/1066889962.db2.gz YFLKQXJUMZKKCS-CVDCTZTESA-N 1 1 456.428 4.899 20 0 JJADMO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3cc(Cl)c4ccccc4c3O)cc2)CC1 ZINC001457645813 1066890337 /nfs/dbraw/zinc/89/03/37/1066890337.db2.gz NYILEYHOGGBGHF-UHFFFAOYSA-N 1 1 452.942 4.667 20 0 JJADMO Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001457662416 1066892833 /nfs/dbraw/zinc/89/28/33/1066892833.db2.gz VYMOEQVDWPJXLX-MLGOLLRUSA-N 1 1 459.413 4.826 20 0 JJADMO CN(C)[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cccc(C(F)(F)F)c1 ZINC001448059205 1066894704 /nfs/dbraw/zinc/89/47/04/1066894704.db2.gz BZFZQDAEIYVSHB-XZOQPEGZSA-N 1 1 459.556 4.727 20 0 JJADMO CN(C)[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cccc(C(F)(F)F)c1 ZINC001448059205 1066894710 /nfs/dbraw/zinc/89/47/10/1066894710.db2.gz BZFZQDAEIYVSHB-XZOQPEGZSA-N 1 1 459.556 4.727 20 0 JJADMO Cc1cc(C)n([C@@H]2CCCN(c3nnc(-c4ccccc4Cl)n3CCC[N@H+](C)C(C)C)C2)n1 ZINC001492730020 1066900274 /nfs/dbraw/zinc/90/02/74/1066900274.db2.gz OJIWZYXHZMXNTC-OAQYLSRUSA-N 1 1 470.065 4.984 20 0 JJADMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001448126892 1066902887 /nfs/dbraw/zinc/90/28/87/1066902887.db2.gz UOJZRFHVDWDOAD-XZOQPEGZSA-N 1 1 451.611 4.798 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)n1 ZINC001492733784 1066907415 /nfs/dbraw/zinc/90/74/15/1066907415.db2.gz SLJORXCGVQHZQG-ZRCGQRJVSA-N 1 1 455.695 4.665 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N(C)CCC(F)(F)F)n2C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n1 ZINC001492738707 1066913698 /nfs/dbraw/zinc/91/36/98/1066913698.db2.gz HEPWRKRNOCHIOE-RXVVDRJESA-N 1 1 495.619 4.673 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](CC(C)C)C3)n2CCC[N@@H+](C)C2CCCCC2)n1 ZINC001492745471 1066921392 /nfs/dbraw/zinc/92/13/92/1066921392.db2.gz POGDXHSCIZEBIY-QHCPKHFHSA-N 1 1 455.695 4.667 20 0 JJADMO Cc1cc(C)n(Cc2nnc(N3CCC(CC[N@H+]4CCCC[C@H]4C)CC3)n2CCSC(C)C)n1 ZINC001492746279 1066921771 /nfs/dbraw/zinc/92/17/71/1066921771.db2.gz NGVDVTSIPHXGOU-JOCHJYFZSA-N 1 1 487.762 4.762 20 0 JJADMO Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC001457809514 1066925840 /nfs/dbraw/zinc/92/58/40/1066925840.db2.gz ZJOATEPWHNVPAK-GPXNEJASSA-N 1 1 470.455 4.844 20 0 JJADMO Cc1c[nH+]ccc1OC1CCN(C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC001448536581 1066936869 /nfs/dbraw/zinc/93/68/69/1066936869.db2.gz QPBCYHAQMKLOEM-IBGZPJMESA-N 1 1 451.567 4.689 20 0 JJADMO Cc1nnc(CCCn2c(CC(C)C)nnc2N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC001492766251 1066939093 /nfs/dbraw/zinc/93/90/93/1066939093.db2.gz GLYSJWKJHJRKEX-OFNKIYASSA-N 1 1 481.714 4.759 20 0 JJADMO CC[C@]1(C)CN(c2nnc(Cc3ccccc3C)n2CCCC[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001546095041 1066940938 /nfs/dbraw/zinc/94/09/38/1066940938.db2.gz FDZIUFCQPQJCLR-AJTFRIOCSA-N 1 1 453.675 4.695 20 0 JJADMO Cc1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001492776878 1066947034 /nfs/dbraw/zinc/94/70/34/1066947034.db2.gz JASLSULXDZHFOY-YJBOKZPZSA-N 1 1 495.981 4.530 20 0 JJADMO Cc1nnc(N(C)Cc2csc(Br)c2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492782784 1066948033 /nfs/dbraw/zinc/94/80/33/1066948033.db2.gz YZHRQPYYZMEQNA-GASCZTMLSA-N 1 1 454.482 4.803 20 0 JJADMO Cc1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001492783579 1066948611 /nfs/dbraw/zinc/94/86/11/1066948611.db2.gz VIFRFTZNOLPILN-HNNXBMFYSA-N 1 1 452.550 4.609 20 0 JJADMO Cc1nnc(N(C)CCOc2cccc(Cl)c2)n1C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001492786297 1066949523 /nfs/dbraw/zinc/94/95/23/1066949523.db2.gz BVYHMFILOSKHFW-GCJKJVERSA-N 1 1 460.047 4.900 20 0 JJADMO Cc1nnc(N(C)CCOc2cccc(Cl)c2)n1C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001492786298 1066949614 /nfs/dbraw/zinc/94/96/14/1066949614.db2.gz BVYHMFILOSKHFW-PGRDOPGGSA-N 1 1 460.047 4.900 20 0 JJADMO CCn1cc(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)c(=O)c2cc(Cl)ccc21 ZINC001457970285 1066949719 /nfs/dbraw/zinc/94/97/19/1066949719.db2.gz PDGVXQKCEDUXFY-NRFANRHFSA-N 1 1 451.998 4.849 20 0 JJADMO CCn1cc(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)c(=O)c2cc(Cl)ccc21 ZINC001457970289 1066950119 /nfs/dbraw/zinc/95/01/19/1066950119.db2.gz PDGVXQKCEDUXFY-OAQYLSRUSA-N 1 1 451.998 4.849 20 0 JJADMO Cc1nnc(N2CCC(C(=O)c3ccc(F)cc3)CC2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492796697 1066950891 /nfs/dbraw/zinc/95/08/91/1066950891.db2.gz FXFJCRKBHPKQFA-BGYRXZFFSA-N 1 1 455.622 4.583 20 0 JJADMO CCCCCC[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC001448687790 1066951448 /nfs/dbraw/zinc/95/14/48/1066951448.db2.gz ODYHASGLLXELQQ-WOJBJXKFSA-N 1 1 452.481 4.773 20 0 JJADMO Cc1nnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001492799505 1066952619 /nfs/dbraw/zinc/95/26/19/1066952619.db2.gz GSUSJJLJEFJBOR-HYBUGGRVSA-N 1 1 460.066 4.558 20 0 JJADMO Cc1nnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001492799504 1066952662 /nfs/dbraw/zinc/95/26/62/1066952662.db2.gz GSUSJJLJEFJBOR-GBXCKJPGSA-N 1 1 460.066 4.558 20 0 JJADMO Cc1nnc(N2CCc3cc(NC(=O)OC(C)(C)C)ccc3C2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001492830399 1066955327 /nfs/dbraw/zinc/95/53/27/1066955327.db2.gz JHUAJXFKOSYILP-IBGZPJMESA-N 1 1 468.646 4.761 20 0 JJADMO Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001492847630 1066957669 /nfs/dbraw/zinc/95/76/69/1066957669.db2.gz KNCGBIDLEWTMBN-WIYYLYMNSA-N 1 1 465.564 4.819 20 0 JJADMO C[C@@H]1C[C@H](CCNC(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)C[N@H+]1Cc1ccccc1 ZINC001458054309 1066962679 /nfs/dbraw/zinc/96/26/79/1066962679.db2.gz BOXJGIBKCFDOTR-QUCCMNQESA-N 1 1 456.512 4.922 20 0 JJADMO C[C@H]1C[C@H](CCNC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)C[N@H+]1Cc1ccccc1 ZINC001458061098 1066964978 /nfs/dbraw/zinc/96/49/78/1066964978.db2.gz VJHUVRBPDXRCBK-ICSRJNTNSA-N 1 1 453.533 4.969 20 0 JJADMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N(CC)[C@@H](C)c2ccc(-c3cccc(OC)c3)cc2)C1 ZINC001545702467 1066965083 /nfs/dbraw/zinc/96/50/83/1066965083.db2.gz DADDWUBJKSBORR-RDPSFJRHSA-N 1 1 452.595 4.547 20 0 JJADMO CC[C@@H](c1nnc(N(C)[C@@H](C)c2ccco2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC001545717878 1066972302 /nfs/dbraw/zinc/97/23/02/1066972302.db2.gz SXJFTCSWPPAHFX-QPTUXGOLSA-N 1 1 465.642 4.967 20 0 JJADMO CC[C@@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC001545719747 1066973653 /nfs/dbraw/zinc/97/36/53/1066973653.db2.gz LMGLQOYFJSRTIP-PEOQXSMVSA-N 1 1 494.728 4.824 20 0 JJADMO CC[C@@H](c1nnc(N(C)C[C@@H](C)c2nccs2)n1CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC001545722603 1066978346 /nfs/dbraw/zinc/97/83/46/1066978346.db2.gz XISNXZMQXNJQTC-FYYLOGMGSA-N 1 1 495.741 4.542 20 0 JJADMO CC[C@@H](c1nnc(N(C)C[C@@H](C)c2nccs2)n1CC[N@@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001545722603 1066978356 /nfs/dbraw/zinc/97/83/56/1066978356.db2.gz XISNXZMQXNJQTC-FYYLOGMGSA-N 1 1 495.741 4.542 20 0 JJADMO CC[C@@H](c1nnc(N(C)C[C@@H](C)c2nccs2)n1CC[N@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001545722603 1066978363 /nfs/dbraw/zinc/97/83/63/1066978363.db2.gz XISNXZMQXNJQTC-FYYLOGMGSA-N 1 1 495.741 4.542 20 0 JJADMO CC[C@H](c1nnc(N(C)C[C@H](C)c2nccs2)n1CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC001545722605 1066978383 /nfs/dbraw/zinc/97/83/83/1066978383.db2.gz XISNXZMQXNJQTC-GMAHTHKFSA-N 1 1 495.741 4.542 20 0 JJADMO CC[C@H](c1nnc(N(C)C[C@H](C)c2nccs2)n1CC[N@@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001545722605 1066978390 /nfs/dbraw/zinc/97/83/90/1066978390.db2.gz XISNXZMQXNJQTC-GMAHTHKFSA-N 1 1 495.741 4.542 20 0 JJADMO CC[C@H](c1nnc(N(C)C[C@H](C)c2nccs2)n1CC[N@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001545722605 1066978395 /nfs/dbraw/zinc/97/83/95/1066978395.db2.gz XISNXZMQXNJQTC-GMAHTHKFSA-N 1 1 495.741 4.542 20 0 JJADMO CC[C@@H](c1nnc(N(C)Cc2ccsc2)n1CC[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001545724165 1066980488 /nfs/dbraw/zinc/98/04/88/1066980488.db2.gz MQYQLXVNCZHATH-JOCHJYFZSA-N 1 1 453.656 4.629 20 0 JJADMO CC[C@@H](c1nnc(N(C)Cc2ccsc2)n1CC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001545724165 1066980493 /nfs/dbraw/zinc/98/04/93/1066980493.db2.gz MQYQLXVNCZHATH-JOCHJYFZSA-N 1 1 453.656 4.629 20 0 JJADMO Cc1cc(NC(=O)c2c(F)cccc2Br)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC001458124288 1066982672 /nfs/dbraw/zinc/98/26/72/1066982672.db2.gz KHSATBLAZAFDRY-KRWDZBQOSA-N 1 1 457.347 4.792 20 0 JJADMO CC[C@H](c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1Cc1cc(C(C)(C)C)no1)c1ccccc1 ZINC001545725937 1066982775 /nfs/dbraw/zinc/98/27/75/1066982775.db2.gz GOYMHBPJFRWJAZ-QHCPKHFHSA-N 1 1 494.684 4.701 20 0 JJADMO CC[C@H](c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1Cc1cc(C(C)(C)C)no1)c1ccccc1 ZINC001545725937 1066982787 /nfs/dbraw/zinc/98/27/87/1066982787.db2.gz GOYMHBPJFRWJAZ-QHCPKHFHSA-N 1 1 494.684 4.701 20 0 JJADMO Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001449155111 1066985776 /nfs/dbraw/zinc/98/57/76/1066985776.db2.gz UEMHESXYKVBJAE-HXUWFJFHSA-N 1 1 450.465 4.806 20 0 JJADMO CC(C)(C)OC(=O)NCC[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001449175414 1066987474 /nfs/dbraw/zinc/98/74/74/1066987474.db2.gz OUPMJWLGPNZMKB-PKTZIBPZSA-N 1 1 455.643 4.585 20 0 JJADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)Cc3ccc(NC(=O)OC(C)(C)C)cc3)C2)s1 ZINC001449179571 1066987836 /nfs/dbraw/zinc/98/78/36/1066987836.db2.gz XJGYGAOEQHIETL-HXUWFJFHSA-N 1 1 457.640 4.927 20 0 JJADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3ccccc3OCc3c(C)noc3C)C2)s1 ZINC001449179247 1066987922 /nfs/dbraw/zinc/98/79/22/1066987922.db2.gz WADFZCOSKLZGBZ-FQEVSTJZSA-N 1 1 453.608 4.834 20 0 JJADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)Cc3ccc(Br)c(Cl)c3)C2)s1 ZINC001449180472 1066987969 /nfs/dbraw/zinc/98/79/69/1066987969.db2.gz ZRZKPEQPBUWKQE-MRXNPFEDSA-N 1 1 455.849 4.995 20 0 JJADMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1cccc(C)c1Br ZINC001458154594 1066990276 /nfs/dbraw/zinc/99/02/76/1066990276.db2.gz OLDJMKZTRJVVPJ-VGSWGCGISA-N 1 1 458.444 4.763 20 0 JJADMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1cccc(C)c1Br ZINC001458154594 1066990285 /nfs/dbraw/zinc/99/02/85/1066990285.db2.gz OLDJMKZTRJVVPJ-VGSWGCGISA-N 1 1 458.444 4.763 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@@H](CC)[C@@H]([NH+]3CCOCC3)C2)n1CCCC(F)(F)F)c1ccccc1 ZINC001545731298 1066990724 /nfs/dbraw/zinc/99/07/24/1066990724.db2.gz MPNISWYTMLSFKA-FCEUIQTBSA-N 1 1 479.591 4.710 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)n1Cc1ccc(Cl)nc1)c1ccccc1 ZINC001545731545 1066991693 /nfs/dbraw/zinc/99/16/93/1066991693.db2.gz PVNYJEOQXOYKIV-XQBPLPMBSA-N 1 1 453.034 4.836 20 0 JJADMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1csc(-c2ccc(C)o2)n1 ZINC001458158318 1066992385 /nfs/dbraw/zinc/99/23/85/1066992385.db2.gz ZZGWEWSGRHZJNE-JTSKRJEESA-N 1 1 452.624 4.717 20 0 JJADMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1csc(-c2ccc(C)o2)n1 ZINC001458158318 1066992394 /nfs/dbraw/zinc/99/23/94/1066992394.db2.gz ZZGWEWSGRHZJNE-JTSKRJEESA-N 1 1 452.624 4.717 20 0 JJADMO CC[C@@H](c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)n1CCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545732007 1066993023 /nfs/dbraw/zinc/99/30/23/1066993023.db2.gz WESHESPCHZGVSS-MQSCRBSSSA-N 1 1 484.689 4.606 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)n1CC[N@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001545733439 1066994537 /nfs/dbraw/zinc/99/45/37/1066994537.db2.gz BLZLMDSHOVFBET-PPJWLVRDSA-N 1 1 494.728 4.681 20 0 JJADMO CC[C@@H](c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1C[C@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC001545733444 1066994811 /nfs/dbraw/zinc/99/48/11/1066994811.db2.gz BNJLMDOQJBWCSC-SWHJIRTISA-N 1 1 493.618 4.692 20 0 JJADMO CC[C@H](c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CC[N@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001545734398 1066997278 /nfs/dbraw/zinc/99/72/78/1066997278.db2.gz RTWGCYRGQORERB-RXVVDRJESA-N 1 1 477.575 4.652 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CC[N@H+]1CCC[C@H]1C)c1ccccc1 ZINC001545734399 1066997314 /nfs/dbraw/zinc/99/73/14/1066997314.db2.gz RTWGCYRGQORERB-WIYYLYMNSA-N 1 1 477.575 4.652 20 0 JJADMO CC[C@H](c1nnc(N2CC[C@H](C)C(C)(C)C2)n1CCC[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001545736185 1066999837 /nfs/dbraw/zinc/99/98/37/1066999837.db2.gz LRXBGJZERZBTDT-ZCYQVOJMSA-N 1 1 466.718 4.720 20 0 JJADMO CC[C@H](c1nnc(N2CC[C@H](CC(C)C)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC001545738124 1067001737 /nfs/dbraw/zinc/00/17/37/1067001737.db2.gz CFLQXHDIQOBTIJ-NOZRDPDXSA-N 1 1 466.718 4.718 20 0 JJADMO CC[C@H](c1nnc(N2CC[C@H](CC(C)C)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001545738124 1067001750 /nfs/dbraw/zinc/00/17/50/1067001750.db2.gz CFLQXHDIQOBTIJ-NOZRDPDXSA-N 1 1 466.718 4.718 20 0 JJADMO CC[C@H](c1nnc(N2CC[C@H](CC(C)C)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001545738124 1067001761 /nfs/dbraw/zinc/00/17/61/1067001761.db2.gz CFLQXHDIQOBTIJ-NOZRDPDXSA-N 1 1 466.718 4.718 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@@](C)(O)C(C)C)c1ccccc1 ZINC001545738226 1067002363 /nfs/dbraw/zinc/00/23/63/1067002363.db2.gz DPOIIEBQTMVRJU-ISOPDOTQSA-N 1 1 497.728 4.553 20 0 JJADMO CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001449355569 1067002796 /nfs/dbraw/zinc/00/27/96/1067002796.db2.gz LUPAMRRWNZMAJC-KRWDZBQOSA-N 1 1 459.434 4.990 20 0 JJADMO CC[C@@H](c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C[C@@H]1CCCOC1)c1ccccc1 ZINC001545739245 1067004771 /nfs/dbraw/zinc/00/47/71/1067004771.db2.gz WKSAZJNCPQRZIK-UKILVPOCSA-N 1 1 453.675 4.803 20 0 JJADMO CC[C@@H](c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1CC(C)(C)C(C)C)c1ccccc1 ZINC001545740635 1067005659 /nfs/dbraw/zinc/00/56/59/1067005659.db2.gz AZKUDMWSLANADR-LOSJGSFVSA-N 1 1 466.718 4.718 20 0 JJADMO CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001458234325 1067009029 /nfs/dbraw/zinc/00/90/29/1067009029.db2.gz VJYRJBHPNQCYRP-QPXUXIHVSA-N 1 1 457.659 4.733 20 0 JJADMO CCC[C@H]1CN(C(=O)[C@@H](OC)c2ccc(Br)s2)CC[N@H+]1Cc1ccccc1 ZINC001458273332 1067018176 /nfs/dbraw/zinc/01/81/76/1067018176.db2.gz CHFZUGPKNQEWOU-PXNSSMCTSA-N 1 1 451.430 4.711 20 0 JJADMO CC[C@H](C)[NH+]1CCN(C(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC001449628664 1067018255 /nfs/dbraw/zinc/01/82/55/1067018255.db2.gz WSIIVOISFGTUQS-KRWDZBQOSA-N 1 1 457.500 4.509 20 0 JJADMO CC(C)[N@H+](Cc1ccc(NC(=O)C2(CNC(=O)OC(C)(C)C)CC2)cc1)C[C@@H]1CCCCO1 ZINC001458285166 1067021336 /nfs/dbraw/zinc/02/13/36/1067021336.db2.gz VTIHPCNMJVSYHV-QFIPXVFZSA-N 1 1 459.631 4.710 20 0 JJADMO CC[C@@H](c1nnc(N2CCC[C@H]2C(C)C)n1C[C@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001545750043 1067022076 /nfs/dbraw/zinc/02/20/76/1067022076.db2.gz XJUZITTXFRDXNG-ARMFNRFLSA-N 1 1 466.718 4.718 20 0 JJADMO CC[C@H](c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCN(CC)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545751655 1067024895 /nfs/dbraw/zinc/02/48/95/1067024895.db2.gz JKNZCXYWVYTMCX-DEOSSOPVSA-N 1 1 498.716 4.998 20 0 JJADMO CC[C@H](c1nnc(N2CCCCCCC2)n1CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC001545751710 1067025704 /nfs/dbraw/zinc/02/57/04/1067025704.db2.gz KEYGWIYMXXFZJX-RPBOFIJWSA-N 1 1 453.675 4.827 20 0 JJADMO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(NCCc3c[nH]c4cc(C)ccc34)c2c1C ZINC001458329541 1067032144 /nfs/dbraw/zinc/03/21/44/1067032144.db2.gz VGKSSYJOSAFRNU-UHFFFAOYSA-N 1 1 451.596 4.682 20 0 JJADMO CC[C@@H](c1nnc(N2CCN(C(C)C)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccc1 ZINC001545756597 1067033744 /nfs/dbraw/zinc/03/37/44/1067033744.db2.gz KQWPZBJDUNRHMS-DGWZTRNLSA-N 1 1 466.718 4.718 20 0 JJADMO CC[C@@H](c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1C[C@@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC001545758156 1067036401 /nfs/dbraw/zinc/03/64/01/1067036401.db2.gz ASPNJLXQBPKILA-ACIOBRDBSA-N 1 1 492.634 4.767 20 0 JJADMO CC[C@H](c1nnc(N2CCN(CC)[C@H](C)C2)n1CCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC001545758291 1067036812 /nfs/dbraw/zinc/03/68/12/1067036812.db2.gz DMCONNLBRXEONK-RSXGOPAZSA-N 1 1 466.718 4.863 20 0 JJADMO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N3C[C@H](c4ccc(C)cc4)C[C@H]3C)c2c1C ZINC001458349759 1067039336 /nfs/dbraw/zinc/03/93/36/1067039336.db2.gz UAQWYMSIHONWLA-VQIMIIECSA-N 1 1 452.624 4.929 20 0 JJADMO CC[C@@H](c1nnc(N2CC[N@@H+](CCOC)[C@H](CC)C2)n1CC1(C)CCCC1)c1ccccc1 ZINC001545758763 1067039720 /nfs/dbraw/zinc/03/97/20/1067039720.db2.gz MILWMVTXBXSJAP-DNQXCXABSA-N 1 1 453.675 4.947 20 0 JJADMO CC[C@@H](c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1Cc1cccc(C(F)(F)F)n1)c1ccccc1 ZINC001545758680 1067040053 /nfs/dbraw/zinc/04/00/53/1067040053.db2.gz LKCIPWOZNJXIFV-GHTZIAJQSA-N 1 1 472.559 4.813 20 0 JJADMO CC[C@H](c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC001545758895 1067040308 /nfs/dbraw/zinc/04/03/08/1067040308.db2.gz OWNXEHMENKMAFU-IRLDBZIGSA-N 1 1 484.689 4.654 20 0 JJADMO CC[C@@H](c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC001545758894 1067040361 /nfs/dbraw/zinc/04/03/61/1067040361.db2.gz OWNXEHMENKMAFU-IFMALSPDSA-N 1 1 484.689 4.654 20 0 JJADMO CC[C@@H](c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CCC[N@@H+](C)C(C)C)c1ccccc1 ZINC001545759232 1067041497 /nfs/dbraw/zinc/04/14/97/1067041497.db2.gz VAMDOTSGVREXRF-RUZDIDTESA-N 1 1 480.701 4.532 20 0 JJADMO CC[C@@H](c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC001545760925 1067044157 /nfs/dbraw/zinc/04/41/57/1067044157.db2.gz KQFJYTJELTXZOI-NJYVYQBISA-N 1 1 479.591 4.708 20 0 JJADMO O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC001450046622 1067044422 /nfs/dbraw/zinc/04/44/22/1067044422.db2.gz JPKSVVYYSBCQIV-NHCUHLMSSA-N 1 1 459.403 4.891 20 0 JJADMO CC[C@]1(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H](C)[N@@H+](C)C2CC2)CCO1 ZINC001546099840 1067044432 /nfs/dbraw/zinc/04/44/32/1067044432.db2.gz NTCJTOWDORCVRU-CCLHPLFOSA-N 1 1 469.674 4.643 20 0 JJADMO CC(C)C[C@@H](CC(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)NC(=O)OC(C)(C)C ZINC001450069247 1067046747 /nfs/dbraw/zinc/04/67/47/1067046747.db2.gz ADARAXTZAVMGIJ-QFIPXVFZSA-N 1 1 452.599 4.912 20 0 JJADMO Cc1nc(C2CCC2)sc1CC(=O)NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC001458387288 1067047767 /nfs/dbraw/zinc/04/77/67/1067047767.db2.gz RQESESOCQPKHBX-KDURUIRLSA-N 1 1 455.668 4.587 20 0 JJADMO CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001458387946 1067048464 /nfs/dbraw/zinc/04/84/64/1067048464.db2.gz QHYVGRHGCHZZPN-XUEUYAKLSA-N 1 1 454.920 4.987 20 0 JJADMO CC[C@H](c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001545765451 1067050321 /nfs/dbraw/zinc/05/03/21/1067050321.db2.gz BEEALFRHTABMRR-SDZTWWDVSA-N 1 1 453.675 4.539 20 0 JJADMO C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)c3cccc(C(F)(F)F)c3F)cc2)C[C@H]1C ZINC001458396529 1067051263 /nfs/dbraw/zinc/05/12/63/1067051263.db2.gz OMIMYGIRVBWGKR-CALCHBBNSA-N 1 1 452.492 4.784 20 0 JJADMO C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)C[C@@H]3OCc4cc(Cl)ccc43)cc2)C[C@H]1C ZINC001458398353 1067051862 /nfs/dbraw/zinc/05/18/62/1067051862.db2.gz RVIACANYHCXJNB-CEYNDMKZSA-N 1 1 457.014 4.627 20 0 JJADMO CC[C@@]1(C)CN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC[N@H+]2CCC[C@@H]2C)CCO1 ZINC001546100253 1067051981 /nfs/dbraw/zinc/05/19/81/1067051981.db2.gz VTCKVNPLYMTSIC-LVXARBLLSA-N 1 1 490.092 4.741 20 0 JJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H](C(F)(F)F)OC(C)(C)C2)n1 ZINC001458399645 1067052235 /nfs/dbraw/zinc/05/22/35/1067052235.db2.gz MXCYPVSMVDCAHK-MRXNPFEDSA-N 1 1 450.530 4.966 20 0 JJADMO C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001450198918 1067059526 /nfs/dbraw/zinc/05/95/26/1067059526.db2.gz NZNBCFPGGZONJW-KSEOMHKRSA-N 1 1 471.667 4.773 20 0 JJADMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458448244 1067063638 /nfs/dbraw/zinc/06/36/38/1067063638.db2.gz NOGCCJLWHBAHSS-SIKLNZKXSA-N 1 1 459.993 4.564 20 0 JJADMO CN1CC[C@@H](CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458448344 1067063993 /nfs/dbraw/zinc/06/39/93/1067063993.db2.gz ODMMGAXLFGRGBB-XUZZJYLKSA-N 1 1 458.021 4.890 20 0 JJADMO COc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1Br ZINC001458450478 1067065086 /nfs/dbraw/zinc/06/50/86/1067065086.db2.gz VERPCQZAIAKBPI-LIRRHRJNSA-N 1 1 455.755 4.673 20 0 JJADMO COc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1Br ZINC001458450462 1067065407 /nfs/dbraw/zinc/06/54/07/1067065407.db2.gz VERPCQZAIAKBPI-IFXJQAMLSA-N 1 1 455.755 4.673 20 0 JJADMO CCC(CC)(Cn1c(-c2ccccc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C)NC(=O)OC(C)(C)C ZINC001545775753 1067069493 /nfs/dbraw/zinc/06/94/93/1067069493.db2.gz JPEVKESPCHRZFL-IRLDBZIGSA-N 1 1 482.673 4.702 20 0 JJADMO CCC(CC)(Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)SC ZINC001545775799 1067069584 /nfs/dbraw/zinc/06/95/84/1067069584.db2.gz KXCQDJUFHCUOEV-UHFFFAOYSA-N 1 1 496.725 4.962 20 0 JJADMO CCC(CC)(Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)SC ZINC001545775799 1067069597 /nfs/dbraw/zinc/06/95/97/1067069597.db2.gz KXCQDJUFHCUOEV-UHFFFAOYSA-N 1 1 496.725 4.962 20 0 JJADMO CCC(CC)(Cn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1)SC ZINC001545779466 1067074517 /nfs/dbraw/zinc/07/45/17/1067074517.db2.gz OYPNPIYJSGYQLE-UHFFFAOYSA-N 1 1 494.709 4.901 20 0 JJADMO C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1)c1ccc(F)cc1OC(F)F ZINC001458504009 1067076690 /nfs/dbraw/zinc/07/66/90/1067076690.db2.gz ZTXOWOPXUSDJBX-PDIWNELESA-N 1 1 469.507 4.915 20 0 JJADMO CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1)OC ZINC001545781223 1067077284 /nfs/dbraw/zinc/07/72/84/1067077284.db2.gz XECVSMKTEIEANM-UHFFFAOYSA-N 1 1 462.642 4.566 20 0 JJADMO CCC(CC)(Cn1c([C@@H]2CCOC2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)SC ZINC001545786667 1067082780 /nfs/dbraw/zinc/08/27/80/1067082780.db2.gz ULKGZWCLATWSJC-OAQYLSRUSA-N 1 1 475.678 4.555 20 0 JJADMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC001458534554 1067083378 /nfs/dbraw/zinc/08/33/78/1067083378.db2.gz LLLWCHGYOCVCTK-UHFFFAOYSA-N 1 1 457.618 4.719 20 0 JJADMO COc1ccc(C2(C(=O)N3CC[NH+](Cc4ccc(C(C)C)cc4)CC3)CCCC2)cc1OC ZINC001450521592 1067085817 /nfs/dbraw/zinc/08/58/17/1067085817.db2.gz IEBAYLJUEVGELL-UHFFFAOYSA-N 1 1 450.623 4.983 20 0 JJADMO CCC(CC)(Cn1c(Cc2ccncc2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)OC ZINC001545789514 1067086040 /nfs/dbraw/zinc/08/60/40/1067086040.db2.gz JWHLVWMJWFKRHP-QHCPKHFHSA-N 1 1 476.669 4.570 20 0 JJADMO CC[C@]1(C)CN(c2nnc(CSc3ccc(Cl)cc3)n2CCCn2cc[nH+]c2C)CCO1 ZINC001546102065 1067087108 /nfs/dbraw/zinc/08/71/08/1067087108.db2.gz QIJCXOGBHRAAQP-HSZRJFAPSA-N 1 1 475.062 4.824 20 0 JJADMO CC(C)(C)OC(=O)NC[C@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccc2ccccc2c1 ZINC001458568332 1067089129 /nfs/dbraw/zinc/08/91/29/1067089129.db2.gz QHKCFHSAAQZKEN-HFZDXXHNSA-N 1 1 457.590 4.734 20 0 JJADMO CC[C@@]1(C)CN(c2nnc(CSc3ccc(C)cc3)n2CCCCn2cc[nH+]c2C)CCO1 ZINC001546102490 1067099288 /nfs/dbraw/zinc/09/92/88/1067099288.db2.gz YUOJZRUJJDBBIP-VWLOTQADSA-N 1 1 468.671 4.869 20 0 JJADMO COc1ccc(CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[C@@H](C)C2CC2)c(OC)c1 ZINC001450710028 1067108815 /nfs/dbraw/zinc/10/88/15/1067108815.db2.gz ILNJFFCQZPOIQD-CVDCTZTESA-N 1 1 454.586 4.882 20 0 JJADMO CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC001450725361 1067110801 /nfs/dbraw/zinc/11/08/01/1067110801.db2.gz WFLUXCQOSAFDRO-UHFFFAOYSA-N 1 1 457.500 4.833 20 0 JJADMO CCC(CC)[C@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)OC ZINC001545803186 1067112017 /nfs/dbraw/zinc/11/20/17/1067112017.db2.gz JEJRLWZRBITBKQ-JLLPCOHGSA-N 1 1 475.722 4.713 20 0 JJADMO CCC(CC)[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCN(CC)[C@H](C)C1)[NH+](C)C ZINC001545805016 1067118344 /nfs/dbraw/zinc/11/83/44/1067118344.db2.gz GKVOLMLBPARXRG-XMSQKQJNSA-N 1 1 491.522 4.604 20 0 JJADMO CCC(CC)[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C(C)C)CC1)[NH+](C)C ZINC001545807268 1067125133 /nfs/dbraw/zinc/12/51/33/1067125133.db2.gz FJIKCGUKHVRRAH-SFHVURJKSA-N 1 1 497.551 4.666 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NC[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)CCC[C@H]12 ZINC001450846561 1067131203 /nfs/dbraw/zinc/13/12/03/1067131203.db2.gz JUYJXMIFXIUYKE-VMODYCNZSA-N 1 1 455.643 4.585 20 0 JJADMO CCC1(CC)CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001546103290 1067133542 /nfs/dbraw/zinc/13/35/42/1067133542.db2.gz FVKLFHUTCRAZCX-QPPBQGQZSA-N 1 1 487.664 4.931 20 0 JJADMO CC[N@H+]1CCCN(C(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)[C@H](C)C1 ZINC001450975631 1067138052 /nfs/dbraw/zinc/13/80/52/1067138052.db2.gz JJVUJUMRTZXVHE-QGZVFWFLSA-N 1 1 458.400 4.566 20 0 JJADMO C[N@@H+]1CC[C@@H](NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)[C@H]1c1ccc(F)cc1 ZINC001545811290 1067139617 /nfs/dbraw/zinc/13/96/17/1067139617.db2.gz RCHIUCLZEFEOEU-VQIMIIECSA-N 1 1 450.739 4.898 20 0 JJADMO C[N@H+]1CC[C@@H](NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)[C@H]1c1ccc(F)cc1 ZINC001545811290 1067139623 /nfs/dbraw/zinc/13/96/23/1067139623.db2.gz RCHIUCLZEFEOEU-VQIMIIECSA-N 1 1 450.739 4.898 20 0 JJADMO CN1CCC[C@H]1c1cc(C(=O)N2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)[nH]n1 ZINC001451050467 1067144001 /nfs/dbraw/zinc/14/40/01/1067144001.db2.gz WARUUXPYJRRVSX-QFIPXVFZSA-N 1 1 453.587 4.543 20 0 JJADMO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)n[nH]1 ZINC001451050467 1067144008 /nfs/dbraw/zinc/14/40/08/1067144008.db2.gz WARUUXPYJRRVSX-QFIPXVFZSA-N 1 1 453.587 4.543 20 0 JJADMO C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)n[nH]1 ZINC001451050467 1067144015 /nfs/dbraw/zinc/14/40/15/1067144015.db2.gz WARUUXPYJRRVSX-QFIPXVFZSA-N 1 1 453.587 4.543 20 0 JJADMO CCC(CC)[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN2CCCC[C@@H]2C1)[NH+](C)C ZINC001545819681 1067155389 /nfs/dbraw/zinc/15/53/89/1067155389.db2.gz KJNYRRMMZYWDGK-ISKFKSNPSA-N 1 1 489.108 4.551 20 0 JJADMO CCC(CC)[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN2CCCC[C@H]2C1)[NH+](C)C ZINC001545819683 1067155603 /nfs/dbraw/zinc/15/56/03/1067155603.db2.gz KJNYRRMMZYWDGK-UPVQGACJSA-N 1 1 489.108 4.551 20 0 JJADMO O=C(c1cc(Br)ccc1OCc1ccccc1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001451473913 1067173888 /nfs/dbraw/zinc/17/38/88/1067173888.db2.gz OZKJSTXZALUOGM-QFIPXVFZSA-N 1 1 451.364 4.815 20 0 JJADMO O=C(c1ccc(COc2ccccc2Br)cc1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001451466024 1067173909 /nfs/dbraw/zinc/17/39/09/1067173909.db2.gz BYTPTWPSKJZSAO-JOCHJYFZSA-N 1 1 451.364 4.815 20 0 JJADMO O=C(c1ccc(COc2ccccc2Br)cc1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001451466034 1067173935 /nfs/dbraw/zinc/17/39/35/1067173935.db2.gz BYTPTWPSKJZSAO-QFIPXVFZSA-N 1 1 451.364 4.815 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCc3ccccc32)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001545829550 1067179768 /nfs/dbraw/zinc/17/97/68/1067179768.db2.gz AAXIOCTWLYERKY-SQJMNOBHSA-N 1 1 480.701 4.688 20 0 JJADMO C/C(=C/C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1)c1ccccc1C(F)(F)F ZINC001458871764 1067180773 /nfs/dbraw/zinc/18/07/73/1067180773.db2.gz CZNOOQQNHWYZPU-SUJOLCCYSA-N 1 1 451.577 4.904 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1C[C@H]1CCCCS1 ZINC001545830392 1067181798 /nfs/dbraw/zinc/18/17/98/1067181798.db2.gz TWQPWHQKPSYFSA-BJKOFHAPSA-N 1 1 498.741 4.583 20 0 JJADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H](C)C2)n1CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001545848526 1067200017 /nfs/dbraw/zinc/20/00/17/1067200017.db2.gz CASVQVXISFREJK-HYVLGVRCSA-N 1 1 480.701 4.589 20 0 JJADMO CC(C)N(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001452137940 1067208719 /nfs/dbraw/zinc/20/87/19/1067208719.db2.gz SDTPUHUWOZMMBY-OAQYLSRUSA-N 1 1 453.583 4.864 20 0 JJADMO CC(C)N(C(=O)/C=C/[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001452138253 1067208857 /nfs/dbraw/zinc/20/88/57/1067208857.db2.gz QZAXZIKAGWMQGU-FGTQWKHKSA-N 1 1 455.643 4.701 20 0 JJADMO CCOc1ccccc1[C@@H](CC(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)NC(=O)OC(C)(C)C ZINC001452180955 1067212768 /nfs/dbraw/zinc/21/27/68/1067212768.db2.gz XGTJLTKGWBGIFT-YFNKSVMNSA-N 1 1 481.637 4.503 20 0 JJADMO Cc1cc(OCc2ccccc2)c(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)s1 ZINC001458976944 1067215260 /nfs/dbraw/zinc/21/52/60/1067215260.db2.gz XGFVPQYMKOROJG-QHCPKHFHSA-N 1 1 450.604 4.656 20 0 JJADMO CCC[N@@H+](Cc1ccccc1)Cc1ccc(NC(=O)Cn2nc(-c3ccccc3)oc2=O)cc1 ZINC001452663574 1067242500 /nfs/dbraw/zinc/24/25/00/1067242500.db2.gz GOFOJDYTHHUGSU-UHFFFAOYSA-N 1 1 456.546 4.554 20 0 JJADMO C[C@@H]1C[N@H+](Cc2ccc(CN(C)C(=O)c3coc(-c4ccccc4Cl)n3)cc2)C[C@H](C)O1 ZINC001452690488 1067244556 /nfs/dbraw/zinc/24/45/56/1067244556.db2.gz IVDZYSGRZPDQMY-HDICACEKSA-N 1 1 453.970 4.876 20 0 JJADMO CC(C)[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001459076172 1067246423 /nfs/dbraw/zinc/24/64/23/1067246423.db2.gz PBWXTXVPFMVBPK-RDTXWAMCSA-N 1 1 456.425 4.635 20 0 JJADMO C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC001452769574 1067250756 /nfs/dbraw/zinc/25/07/56/1067250756.db2.gz JFGSUEPBQZHDDA-VRIJDZSUSA-N 1 1 455.593 4.654 20 0 JJADMO C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC001452769574 1067250764 /nfs/dbraw/zinc/25/07/64/1067250764.db2.gz JFGSUEPBQZHDDA-VRIJDZSUSA-N 1 1 455.593 4.654 20 0 JJADMO CC(C)(C)OC(=O)NCc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c(F)c1 ZINC001452796419 1067252722 /nfs/dbraw/zinc/25/27/22/1067252722.db2.gz BXZRZDXRRHLPRX-HSZRJFAPSA-N 1 1 455.574 4.521 20 0 JJADMO CC(C)(C)OC(=O)NCc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)c(F)c1 ZINC001452796425 1067252812 /nfs/dbraw/zinc/25/28/12/1067252812.db2.gz BXZRZDXRRHLPRX-QHCPKHFHSA-N 1 1 455.574 4.521 20 0 JJADMO C[N@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2CCCCC2)CC1 ZINC001452926246 1067265707 /nfs/dbraw/zinc/26/57/07/1067265707.db2.gz AEDMMHBPDULIEO-XMMPIXPASA-N 1 1 457.659 4.831 20 0 JJADMO CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(Nc4cccc(SC)c4)cn3)CC2)CC1 ZINC001452985164 1067270619 /nfs/dbraw/zinc/27/06/19/1067270619.db2.gz CJPLVKYTYRYEEK-UHFFFAOYSA-N 1 1 453.656 4.682 20 0 JJADMO C[C@H](Sc1nc(C2CCCCC2)cs1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC001459239904 1067276202 /nfs/dbraw/zinc/27/62/02/1067276202.db2.gz OVHXLSLLOUOQRO-SFHVURJKSA-N 1 1 459.681 4.820 20 0 JJADMO COC(=O)c1cc(C[NH+]2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)cc(C(=O)OC)c1 ZINC001459307218 1067289963 /nfs/dbraw/zinc/28/99/63/1067289963.db2.gz BLCPHFLQYVHOGS-UHFFFAOYSA-N 1 1 451.563 4.553 20 0 JJADMO CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](C[N@H+]1CCC[C@@H]1c1cccc(Br)c1)O2 ZINC001459316670 1067292185 /nfs/dbraw/zinc/29/21/85/1067292185.db2.gz BKUWTBAYIPROHA-RBUKOAKNSA-N 1 1 451.405 4.755 20 0 JJADMO CC(C)[N@H+](Cc1ccc(Br)cc1)C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC001459346997 1067299402 /nfs/dbraw/zinc/29/94/02/1067299402.db2.gz BMYBEGVZXUOZKZ-IBGZPJMESA-N 1 1 453.421 4.828 20 0 JJADMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O ZINC001453342409 1067299474 /nfs/dbraw/zinc/29/94/74/1067299474.db2.gz UXSFYEWKDYHFMW-OAHLLOKOSA-N 1 1 450.366 4.554 20 0 JJADMO Cc1ccc(S(=O)(=O)N[C@H](C[NH+]2CCC(Oc3ccccc3)CC2)c2ccccc2)cc1 ZINC001459353538 1067301697 /nfs/dbraw/zinc/30/16/97/1067301697.db2.gz ALWCFQBXUVOMJF-AREMUKBSSA-N 1 1 450.604 4.558 20 0 JJADMO Cc1ccc(C[N@@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)Cc2ccco2)s1 ZINC001459382520 1067309115 /nfs/dbraw/zinc/30/91/15/1067309115.db2.gz ZIPXOJGGUHUWQS-UHFFFAOYSA-N 1 1 457.621 4.720 20 0 JJADMO CC[C@]1(C)CC[C@@H](Cn2c(-c3ccccc3OC)nnc2N2CCC[N@H+](C(C)(C)C)CC2)O1 ZINC001546052165 1067310764 /nfs/dbraw/zinc/31/07/64/1067310764.db2.gz SJKPBMPGJBZPNX-RXFWQSSRSA-N 1 1 455.647 4.612 20 0 JJADMO C[N@@H+](C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC001459401955 1067314082 /nfs/dbraw/zinc/31/40/82/1067314082.db2.gz WFCHGTPUFQRLNA-TZRRMPRUSA-N 1 1 458.643 4.892 20 0 JJADMO CCOC(=O)c1c(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(OC)c(C)c2)sc2c1CC[C@H](C)C2 ZINC001459436390 1067325138 /nfs/dbraw/zinc/32/51/38/1067325138.db2.gz HQJCBVHNKCWYNG-RDJZCZTQSA-N 1 1 458.624 4.826 20 0 JJADMO CCOC(=O)c1c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(OC)c(C)c2)sc2c1CC[C@H](C)C2 ZINC001459436390 1067325150 /nfs/dbraw/zinc/32/51/50/1067325150.db2.gz HQJCBVHNKCWYNG-RDJZCZTQSA-N 1 1 458.624 4.826 20 0 JJADMO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1 ZINC001459439666 1067325437 /nfs/dbraw/zinc/32/54/37/1067325437.db2.gz IIIUTQFPLDDHHE-JPYJTQIMSA-N 1 1 450.501 4.862 20 0 JJADMO O=C1[C@@H]([NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)CCN1c1ccc(C(F)(F)F)cc1 ZINC001459455457 1067327741 /nfs/dbraw/zinc/32/77/41/1067327741.db2.gz LKPGLJOKVLKPKO-LEWJYISDSA-N 1 1 452.904 4.910 20 0 JJADMO C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC001459458960 1067329010 /nfs/dbraw/zinc/32/90/10/1067329010.db2.gz VGTCZKUHDGRWEQ-JLTOFOAXSA-N 1 1 451.792 4.875 20 0 JJADMO COc1ccc2cc(CN(C)C(=O)[C@H](C)N3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)ccc2c1 ZINC001459460802 1067329260 /nfs/dbraw/zinc/32/92/60/1067329260.db2.gz XVZYZQYWHFTDEG-QFIPXVFZSA-N 1 1 459.634 4.792 20 0 JJADMO CCOc1ccc(Br)cc1C[N@H+](C[C@H]1CN(C2CCCCC2)C(=O)O1)C1CC1 ZINC001459463307 1067330508 /nfs/dbraw/zinc/33/05/08/1067330508.db2.gz IBDYALSZWFKATH-FQEVSTJZSA-N 1 1 451.405 4.966 20 0 JJADMO CCOc1ccc(Br)cc1C[N@@H+](C[C@H]1CN(C2CCCCC2)C(=O)O1)C1CC1 ZINC001459463307 1067330523 /nfs/dbraw/zinc/33/05/23/1067330523.db2.gz IBDYALSZWFKATH-FQEVSTJZSA-N 1 1 451.405 4.966 20 0 JJADMO OC[C@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC001459466136 1067331358 /nfs/dbraw/zinc/33/13/58/1067331358.db2.gz KXEBHCNEPNHULO-AREMUKBSSA-N 1 1 454.973 4.909 20 0 JJADMO C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001459476068 1067334674 /nfs/dbraw/zinc/33/46/74/1067334674.db2.gz LEUCPALDLHTSJR-PMACEKPBSA-N 1 1 453.583 4.995 20 0 JJADMO C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001459476068 1067334680 /nfs/dbraw/zinc/33/46/80/1067334680.db2.gz LEUCPALDLHTSJR-PMACEKPBSA-N 1 1 453.583 4.995 20 0 JJADMO COc1cccc([C@@H](C)[NH+]2CCN(Cc3ncc(-c4ccccc4Br)o3)CC2)c1 ZINC001459481670 1067336369 /nfs/dbraw/zinc/33/63/69/1067336369.db2.gz QGEWWTGYCVNOPH-QGZVFWFLSA-N 1 1 456.384 4.992 20 0 JJADMO CCc1ccc(C[NH+]2CCN([C@@H](C)C(=O)Nc3ccc(Br)c(C)c3)CC2)s1 ZINC001459510526 1067341499 /nfs/dbraw/zinc/34/14/99/1067341499.db2.gz CVUDAXPJNPGXSH-INIZCTEOSA-N 1 1 450.446 4.526 20 0 JJADMO CCc1ccc(C[NH+]2CCN([C@H](C)C(=O)Nc3nc(-c4ccc(F)cc4)cs3)CC2)s1 ZINC001459516836 1067343178 /nfs/dbraw/zinc/34/31/78/1067343178.db2.gz MYKJYAXCKZOZEZ-MRXNPFEDSA-N 1 1 458.628 4.718 20 0 JJADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC001459528950 1067345434 /nfs/dbraw/zinc/34/54/34/1067345434.db2.gz ZOEOIEQNXBPFJU-UXHICEINSA-N 1 1 454.640 4.525 20 0 JJADMO COc1cccc(C[N@@H+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C2CCC(O)CC2)c1 ZINC001459529259 1067345930 /nfs/dbraw/zinc/34/59/30/1067345930.db2.gz OTVIGBDHVQEWAD-XVAXZDLZSA-N 1 1 454.394 4.547 20 0 JJADMO COc1ccc(NC(=O)c2c(NC(=O)C[N@@H+]3C[C@@H](C)CC[C@@H]3C)sc3c2CCCC3)cc1 ZINC001459540933 1067347972 /nfs/dbraw/zinc/34/79/72/1067347972.db2.gz LLKFMWMEKQLJOQ-IRXDYDNUSA-N 1 1 455.624 4.947 20 0 JJADMO COc1ccc(NC(=O)c2c(NC(=O)C[N@H+]3C[C@@H](C)CC[C@@H]3C)sc3c2CCCC3)cc1 ZINC001459540933 1067347982 /nfs/dbraw/zinc/34/79/82/1067347982.db2.gz LLKFMWMEKQLJOQ-IRXDYDNUSA-N 1 1 455.624 4.947 20 0 JJADMO Cc1cc(C[N@H+]2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)c(C)cc1I ZINC001459558521 1067350572 /nfs/dbraw/zinc/35/05/72/1067350572.db2.gz WHVVCWSUBILQSO-KRWDZBQOSA-N 1 1 458.384 4.739 20 0 JJADMO Cc1cc(C[N@@H+]2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)c(C)cc1I ZINC001459558521 1067350587 /nfs/dbraw/zinc/35/05/87/1067350587.db2.gz WHVVCWSUBILQSO-KRWDZBQOSA-N 1 1 458.384 4.739 20 0 JJADMO CCN(CC1CC[NH+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1)C(=O)OC(C)(C)C ZINC001459560113 1067351471 /nfs/dbraw/zinc/35/14/71/1067351471.db2.gz KJOIRLBYFVQYSG-FQEVSTJZSA-N 1 1 453.986 4.553 20 0 JJADMO CC(C)[C@H](CC[N@H+](C)CC(=O)Nc1nc(-c2cccs2)cs1)NC(=O)OC(C)(C)C ZINC001459566917 1067353979 /nfs/dbraw/zinc/35/39/79/1067353979.db2.gz WUGJSFLGUFDMBN-HNNXBMFYSA-N 1 1 452.646 4.681 20 0 JJADMO CC(C)[C@H](CC[N@@H+](C)CC(=O)Nc1nc(-c2cccs2)cs1)NC(=O)OC(C)(C)C ZINC001459566917 1067353990 /nfs/dbraw/zinc/35/39/90/1067353990.db2.gz WUGJSFLGUFDMBN-HNNXBMFYSA-N 1 1 452.646 4.681 20 0 JJADMO CCC[N@@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC001459574305 1067355154 /nfs/dbraw/zinc/35/51/54/1067355154.db2.gz DWHRILHEANXWSS-JWQCQUIFSA-N 1 1 457.659 4.692 20 0 JJADMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C1 ZINC001459581689 1067356349 /nfs/dbraw/zinc/35/63/49/1067356349.db2.gz UMPIXCHLFRLSPB-KRWDZBQOSA-N 1 1 454.924 4.728 20 0 JJADMO COc1ccccc1-c1ccc([C@@H](C)[N@@H+](C)Cc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC001459580588 1067356641 /nfs/dbraw/zinc/35/66/41/1067356641.db2.gz AERSMYUSUYEBFT-LJQANCHMSA-N 1 1 450.604 4.996 20 0 JJADMO O=C(C[N@H+](CCCO)[C@H]1CCCc2ccccc21)Nc1ccc(Br)cc1Cl ZINC001459584267 1067357453 /nfs/dbraw/zinc/35/74/53/1067357453.db2.gz RIGCGZPUFSHRMX-FQEVSTJZSA-N 1 1 451.792 4.803 20 0 JJADMO CCO[C@H](C)c1nc(CN2CC[NH+](Cc3ccc(OCc4ccncc4)cc3)CC2)cs1 ZINC001459590154 1067358688 /nfs/dbraw/zinc/35/86/88/1067358688.db2.gz FNFMRFJUZUQLQX-HXUWFJFHSA-N 1 1 452.624 4.532 20 0 JJADMO CS(=O)(=O)c1ccc(F)c(NC(=O)C[N@H+](C2CC2)[C@@H]2CCCC[C@H]2C2CCCCC2)c1 ZINC001459594286 1067359397 /nfs/dbraw/zinc/35/93/97/1067359397.db2.gz MENAIZXGTBZKHY-NZQKXSOJSA-N 1 1 450.620 4.771 20 0 JJADMO CS(=O)(=O)c1ccc(F)c(NC(=O)C[N@@H+](C2CC2)[C@@H]2CCCC[C@H]2C2CCCCC2)c1 ZINC001459594286 1067359405 /nfs/dbraw/zinc/35/94/05/1067359405.db2.gz MENAIZXGTBZKHY-NZQKXSOJSA-N 1 1 450.620 4.771 20 0 JJADMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1OC ZINC001459610431 1067363180 /nfs/dbraw/zinc/36/31/80/1067363180.db2.gz APJCTOYAPXYRDU-YOEHRIQHSA-N 1 1 453.366 4.881 20 0 JJADMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1OC ZINC001459610431 1067363192 /nfs/dbraw/zinc/36/31/92/1067363192.db2.gz APJCTOYAPXYRDU-YOEHRIQHSA-N 1 1 453.366 4.881 20 0 JJADMO CCc1ccc(-c2cc(NC(=O)CN(C)[C@@H]3CC[N@H+](CC)[C@@H](C)C3)n(-c3ccccc3)n2)cc1 ZINC001459612450 1067364012 /nfs/dbraw/zinc/36/40/12/1067364012.db2.gz FOSLFPJFTDHEMJ-SQJMNOBHSA-N 1 1 459.638 4.845 20 0 JJADMO CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC001459613156 1067364174 /nfs/dbraw/zinc/36/41/74/1067364174.db2.gz AMZRKBLJJGANTB-UHFFFAOYSA-N 1 1 453.970 4.933 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC001459623511 1067366934 /nfs/dbraw/zinc/36/69/34/1067366934.db2.gz LSUHGYAARRSGMZ-PNIUZAESSA-N 1 1 452.639 4.828 20 0 JJADMO COc1ccc([C@@H](CNC(=O)OC(C)(C)C)CN2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)cc1 ZINC001459627480 1067367992 /nfs/dbraw/zinc/36/79/92/1067367992.db2.gz RTTHPQPVDZJJHA-BJKOFHAPSA-N 1 1 453.627 4.510 20 0 JJADMO COc1ccc([C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]2CC[C@@H](N(C)Cc3ccccc3)C2)cc1 ZINC001459627480 1067368001 /nfs/dbraw/zinc/36/80/01/1067368001.db2.gz RTTHPQPVDZJJHA-BJKOFHAPSA-N 1 1 453.627 4.510 20 0 JJADMO COc1ccc([C@@H](CNC(=O)OC(C)(C)C)C[N@H+]2CC[C@@H](N(C)Cc3ccccc3)C2)cc1 ZINC001459627480 1067368011 /nfs/dbraw/zinc/36/80/11/1067368011.db2.gz RTTHPQPVDZJJHA-BJKOFHAPSA-N 1 1 453.627 4.510 20 0 JJADMO CC[N@@H+](CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)C[C@H](O)c1ccc(C)cc1 ZINC001459633835 1067369156 /nfs/dbraw/zinc/36/91/56/1067369156.db2.gz COLICXKTTWTQLQ-NAKRPHOHSA-N 1 1 455.602 4.780 20 0 JJADMO CC[N@H+](CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)C[C@H](O)c1ccc(C)cc1 ZINC001459633835 1067369168 /nfs/dbraw/zinc/36/91/68/1067369168.db2.gz COLICXKTTWTQLQ-NAKRPHOHSA-N 1 1 455.602 4.780 20 0 JJADMO COc1ccc(NC(=O)c2c(NC(=O)C[N@@H+]3CCC[C@H](C)[C@@H]3C)sc3c2CCCC3)cc1 ZINC001459643801 1067370782 /nfs/dbraw/zinc/37/07/82/1067370782.db2.gz UNNPWGOLZHSGHK-IRXDYDNUSA-N 1 1 455.624 4.947 20 0 JJADMO COc1ccc(NC(=O)c2c(NC(=O)C[N@H+]3CCC[C@H](C)[C@@H]3C)sc3c2CCCC3)cc1 ZINC001459643801 1067370794 /nfs/dbraw/zinc/37/07/94/1067370794.db2.gz UNNPWGOLZHSGHK-IRXDYDNUSA-N 1 1 455.624 4.947 20 0 JJADMO C[N@H+](CCN1CCN(c2ccccc2)CC1)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC001459647747 1067371375 /nfs/dbraw/zinc/37/13/75/1067371375.db2.gz WLUNKBHVXKIAAI-UHFFFAOYSA-N 1 1 451.014 4.568 20 0 JJADMO C[N@@H+](CCN1CCN(c2ccccc2)CC1)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC001459647747 1067371385 /nfs/dbraw/zinc/37/13/85/1067371385.db2.gz WLUNKBHVXKIAAI-UHFFFAOYSA-N 1 1 451.014 4.568 20 0 JJADMO CCOC(=O)c1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3ccccc3OC)C2)sc2c1CCCC2 ZINC001459647992 1067371440 /nfs/dbraw/zinc/37/14/40/1067371440.db2.gz XJOIGFDKSPTZQB-IAGOWNOFSA-N 1 1 456.608 4.629 20 0 JJADMO CCOC(=O)c1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3ccccc3OC)C2)sc2c1CCCC2 ZINC001459647992 1067371452 /nfs/dbraw/zinc/37/14/52/1067371452.db2.gz XJOIGFDKSPTZQB-IAGOWNOFSA-N 1 1 456.608 4.629 20 0 JJADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001459668469 1067377583 /nfs/dbraw/zinc/37/75/83/1067377583.db2.gz HFUBJRNMRLICNO-NFBKMPQASA-N 1 1 451.659 4.793 20 0 JJADMO COc1cc(C)c([C@H](C)NC(=O)C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)cc1OC ZINC001459668494 1067377849 /nfs/dbraw/zinc/37/78/49/1067377849.db2.gz HIEAUNUXGBUZQT-SSPYTLHUSA-N 1 1 454.611 4.558 20 0 JJADMO CC(C)(C)OC(=O)NCCCCCCC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC001459671303 1067378874 /nfs/dbraw/zinc/37/88/74/1067378874.db2.gz LUYHAUWZIPIUFJ-QFIPXVFZSA-N 1 1 459.631 4.890 20 0 JJADMO Cc1cccc(Oc2ccc(NC(=O)C[N@@H+]3CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C3)cc2)c1 ZINC001459672226 1067379321 /nfs/dbraw/zinc/37/93/21/1067379321.db2.gz OVVHAAOKMLQBQG-XXBNENTESA-N 1 1 453.583 4.961 20 0 JJADMO Cc1cccc(Oc2ccc(NC(=O)C[N@H+]3CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C3)cc2)c1 ZINC001459672226 1067379331 /nfs/dbraw/zinc/37/93/31/1067379331.db2.gz OVVHAAOKMLQBQG-XXBNENTESA-N 1 1 453.583 4.961 20 0 JJADMO Cc1cccc(Oc2ccc(NC(=O)C[N@@H+]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)cc2)c1 ZINC001459672223 1067379426 /nfs/dbraw/zinc/37/94/26/1067379426.db2.gz OVVHAAOKMLQBQG-WMZHIEFXSA-N 1 1 453.583 4.961 20 0 JJADMO Cc1cccc(Oc2ccc(NC(=O)C[N@H+]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)cc2)c1 ZINC001459672223 1067379436 /nfs/dbraw/zinc/37/94/36/1067379436.db2.gz OVVHAAOKMLQBQG-WMZHIEFXSA-N 1 1 453.583 4.961 20 0 JJADMO O=C(C[NH2+][C@H](Cn1cccn1)c1ccccc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001459672140 1067379490 /nfs/dbraw/zinc/37/94/90/1067379490.db2.gz XMIOURRJJHAQHT-GOSISDBHSA-N 1 1 456.390 4.890 20 0 JJADMO Cc1cc(=O)oc2cc(OCC[N@H+]3CCCC[C@@H]3[C@H]3CCCN3C(=O)OC(C)(C)C)ccc12 ZINC001459686306 1067383449 /nfs/dbraw/zinc/38/34/49/1067383449.db2.gz NJXPOHIPFDFFQH-FGZHOGPDSA-N 1 1 456.583 4.734 20 0 JJADMO Cc1ccc(CN(C(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)cc1 ZINC001459687408 1067383843 /nfs/dbraw/zinc/38/38/43/1067383843.db2.gz PUQMHQVPYDKXRA-DNQXCXABSA-N 1 1 455.643 4.740 20 0 JJADMO CC(C)c1ccc(C[NH+]2CCN(C(=O)CN3CCCC[C@@H]3c3ccc(F)cc3F)CC2)cc1 ZINC001459696248 1067386682 /nfs/dbraw/zinc/38/66/82/1067386682.db2.gz RNLUIOGXCMINEM-AREMUKBSSA-N 1 1 455.593 4.960 20 0 JJADMO C[C@@H](c1ccc(Br)cc1)[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC001459699961 1067387730 /nfs/dbraw/zinc/38/77/30/1067387730.db2.gz JJJGRDBJAXXNGT-LSDHHAIUSA-N 1 1 457.368 4.824 20 0 JJADMO C[C@@]([NH2+]CCC(=O)Nc1ccccc1-c1ccccc1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC001459705553 1067388864 /nfs/dbraw/zinc/38/88/64/1067388864.db2.gz GSWWLOLGHUOOFU-DEOSSOPVSA-N 1 1 455.480 4.691 20 0 JJADMO Cc1nc(C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)nn1-c1c(Cl)cccc1Cl ZINC001459706464 1067389311 /nfs/dbraw/zinc/38/93/11/1067389311.db2.gz KLIGJBRYAGJRIW-HSZRJFAPSA-N 1 1 458.393 4.525 20 0 JJADMO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC001459716654 1067393860 /nfs/dbraw/zinc/39/38/60/1067393860.db2.gz UNRZQXLMZBHWBJ-YJBOKZPZSA-N 1 1 458.484 4.553 20 0 JJADMO CCOC(=O)C[C@@H](c1ccccc1)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)CC1 ZINC001459716503 1067394345 /nfs/dbraw/zinc/39/43/45/1067394345.db2.gz LUSUSCVJXQXCMQ-DFBJGRDBSA-N 1 1 450.579 4.665 20 0 JJADMO COC(=O)c1c2c(sc1NC(=O)C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1)CCCC2 ZINC001459723807 1067395881 /nfs/dbraw/zinc/39/58/81/1067395881.db2.gz VHHSKXGYFSVABP-HSZRJFAPSA-N 1 1 452.551 4.870 20 0 JJADMO Cc1ccccc1-c1cnc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)o1 ZINC001459744978 1067403438 /nfs/dbraw/zinc/40/34/38/1067403438.db2.gz YQEDPYLBOBZHFK-UHFFFAOYSA-N 1 1 455.356 4.658 20 0 JJADMO C[C@@H]1CCc2c(sc3nc(CC[N@@H+](C)Cc4cccc(OC(F)(F)F)c4)nc(N)c23)C1 ZINC001459755196 1067408474 /nfs/dbraw/zinc/40/84/74/1067408474.db2.gz JGPCXKRDRGVFKI-CYBMUJFWSA-N 1 1 450.530 4.971 20 0 JJADMO Cc1ccc(S(=O)(=O)N[C@@H](CC[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)c2ccccc2)cc1 ZINC001459762265 1067412489 /nfs/dbraw/zinc/41/24/89/1067412489.db2.gz HQSYMRAIZHBQOQ-LVXARBLLSA-N 1 1 452.620 4.673 20 0 JJADMO CCCCn1c(C[N@@H+](CC(C)C)CC(C)(C)C)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC001459768122 1067415025 /nfs/dbraw/zinc/41/50/25/1067415025.db2.gz IOVOPVNVRVVWIH-UHFFFAOYSA-N 1 1 453.631 4.651 20 0 JJADMO CN(CCC1CC[NH+]([C@H]2CCCN(c3ccccc3Cl)C2=O)CC1)C(=O)OC(C)(C)C ZINC001459775816 1067417041 /nfs/dbraw/zinc/41/70/41/1067417041.db2.gz XWVLLOMRFGVQFC-NRFANRHFSA-N 1 1 450.023 4.804 20 0 JJADMO C[N@H+](Cc1ccccc1)C[C@H](CN1CCN(C(=O)OCc2ccccc2)CC1)c1ccccc1 ZINC001459783211 1067419929 /nfs/dbraw/zinc/41/99/29/1067419929.db2.gz CJPABLSKPWFAMC-MUUNZHRXSA-N 1 1 457.618 4.857 20 0 JJADMO CCC[C@H]1CN(Cc2nc(=O)c3c([nH]2)sc(C)c3-c2ccc(C)cc2)CC[N@H+]1CCOC ZINC001459786296 1067421609 /nfs/dbraw/zinc/42/16/09/1067421609.db2.gz PFWGPKKHKFXFNB-FQEVSTJZSA-N 1 1 454.640 4.613 20 0 JJADMO O=C1[C@H]([N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CCCN1Cc1ccc(F)cc1F ZINC001459788364 1067422864 /nfs/dbraw/zinc/42/28/64/1067422864.db2.gz PEGKLVWTPVYNDV-WMLDXEAASA-N 1 1 459.484 4.811 20 0 JJADMO O=C1[C@H]([N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CCCN1Cc1ccc(F)cc1F ZINC001459788364 1067422867 /nfs/dbraw/zinc/42/28/67/1067422867.db2.gz PEGKLVWTPVYNDV-WMLDXEAASA-N 1 1 459.484 4.811 20 0 JJADMO CCC[N@@H+](CC(=O)N[C@@H](CC)c1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001459798070 1067427539 /nfs/dbraw/zinc/42/75/39/1067427539.db2.gz LADUQTDVGMLHLR-DEOSSOPVSA-N 1 1 456.030 4.924 20 0 JJADMO CCC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001459800610 1067429598 /nfs/dbraw/zinc/42/95/98/1067429598.db2.gz NZUPLFGOYAWEOK-FQEVSTJZSA-N 1 1 456.030 4.876 20 0 JJADMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC001459811000 1067433310 /nfs/dbraw/zinc/43/33/10/1067433310.db2.gz UFHFXAJYACARCO-REWPJTCUSA-N 1 1 454.014 4.759 20 0 JJADMO COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@@H+]2Cc2cc(Cl)cc(S(N)(=O)=O)c2)c1 ZINC001459812376 1067433973 /nfs/dbraw/zinc/43/39/73/1067433973.db2.gz GSNPXTQRSOBZOH-DNQXCXABSA-N 1 1 456.995 4.727 20 0 JJADMO COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@H+]2Cc2cc(Cl)cc(S(N)(=O)=O)c2)c1 ZINC001459812376 1067433976 /nfs/dbraw/zinc/43/39/76/1067433976.db2.gz GSNPXTQRSOBZOH-DNQXCXABSA-N 1 1 456.995 4.727 20 0 JJADMO COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@@H+]2Cc2cc(Cl)cc(S(N)(=O)=O)c2)c1 ZINC001459812373 1067434009 /nfs/dbraw/zinc/43/40/09/1067434009.db2.gz GSNPXTQRSOBZOH-BJKOFHAPSA-N 1 1 456.995 4.727 20 0 JJADMO COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@H+]2Cc2cc(Cl)cc(S(N)(=O)=O)c2)c1 ZINC001459812373 1067434012 /nfs/dbraw/zinc/43/40/12/1067434012.db2.gz GSNPXTQRSOBZOH-BJKOFHAPSA-N 1 1 456.995 4.727 20 0 JJADMO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC001459814698 1067435435 /nfs/dbraw/zinc/43/54/35/1067435435.db2.gz WORJFKQAYWYIBH-QUCCMNQESA-N 1 1 457.640 4.723 20 0 JJADMO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC001459814698 1067435440 /nfs/dbraw/zinc/43/54/40/1067435440.db2.gz WORJFKQAYWYIBH-QUCCMNQESA-N 1 1 457.640 4.723 20 0 JJADMO Cc1ccc(N(C)[C@@H]2CCC[N@@H+](CC(=O)NCc3ccccc3COc3ccccc3)C2)cc1 ZINC001459816047 1067436049 /nfs/dbraw/zinc/43/60/49/1067436049.db2.gz FCVSUGFFCNAMFL-HHHXNRCGSA-N 1 1 457.618 4.791 20 0 JJADMO CN(C(=O)C[NH2+][C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1)c1nc2ccccc2s1 ZINC001459817299 1067436495 /nfs/dbraw/zinc/43/64/95/1067436495.db2.gz ZTMZNWXMMGUYOW-JOCHJYFZSA-N 1 1 458.578 4.743 20 0 JJADMO CC(C)(C)OC(=O)N1C[C@H]([N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)[C@H](O)c2ccccc21 ZINC001459835260 1067445849 /nfs/dbraw/zinc/44/58/49/1067445849.db2.gz LCHULOQLVJESPS-QLBRKBSLSA-N 1 1 456.558 4.571 20 0 JJADMO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)nc1)c1ccc2ccccc2c1 ZINC001459847573 1067453078 /nfs/dbraw/zinc/45/30/78/1067453078.db2.gz CWSGWTMPJGGSJF-HXUWFJFHSA-N 1 1 454.958 4.682 20 0 JJADMO CCOC(=O)c1c2c(sc1NC(=O)C[NH2+]C1(c3ccccc3OC)CCC1)C[C@H](C)CC2 ZINC001459858098 1067460299 /nfs/dbraw/zinc/46/02/99/1067460299.db2.gz ABVFYGRHXLTKCF-MRXNPFEDSA-N 1 1 456.608 4.666 20 0 JJADMO CCN(Cc1nc(Cc2cccc(Br)c2)no1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001459898431 1067478638 /nfs/dbraw/zinc/47/86/38/1067478638.db2.gz DIAVNFPXMUOBJF-NRFANRHFSA-N 1 1 455.400 4.519 20 0 JJADMO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](CC(F)(F)F)c2ccc(C)cc2)c(OC)c1 ZINC001459905661 1067482972 /nfs/dbraw/zinc/48/29/72/1067482972.db2.gz UKCOZUUIAVSPAE-NHCUHLMSSA-N 1 1 450.501 4.959 20 0 JJADMO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](CC(F)(F)F)c2ccc(C)cc2)c(OC)c1 ZINC001459905659 1067482989 /nfs/dbraw/zinc/48/29/89/1067482989.db2.gz UKCOZUUIAVSPAE-LEWJYISDSA-N 1 1 450.501 4.959 20 0 JJADMO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](CC(F)(F)F)c2ccc(C)cc2)c(OC)c1 ZINC001459905664 1067483054 /nfs/dbraw/zinc/48/30/54/1067483054.db2.gz UKCOZUUIAVSPAE-RTWAWAEBSA-N 1 1 450.501 4.959 20 0 JJADMO CCOC(=O)c1cc(C[NH2+][C@@H](C)c2sc(-c3ccccc3Br)nc2C)on1 ZINC001459910729 1067486228 /nfs/dbraw/zinc/48/62/28/1067486228.db2.gz NYEGKLLRAIGGGW-NSHDSACASA-N 1 1 450.358 4.897 20 0 JJADMO C[N@@H+](CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001459911587 1067486866 /nfs/dbraw/zinc/48/68/66/1067486866.db2.gz XKQZYTHOTOGZAF-RBBKRZOGSA-N 1 1 457.546 4.803 20 0 JJADMO CCNC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)c1 ZINC001459913099 1067487308 /nfs/dbraw/zinc/48/73/08/1067487308.db2.gz VTZPCJFWKHVPCT-CQSZACIVSA-N 1 1 456.999 4.811 20 0 JJADMO COc1cccc(S(=O)(=O)CC[NH2+][C@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)c1 ZINC001459912586 1067487322 /nfs/dbraw/zinc/48/73/22/1067487322.db2.gz SPGZCVMZLDWCLV-CQSZACIVSA-N 1 1 451.013 4.905 20 0 JJADMO C[C@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC001459928273 1067495296 /nfs/dbraw/zinc/49/52/96/1067495296.db2.gz ZEWZERDDIINCGQ-JAXLGGSGSA-N 1 1 452.668 4.944 20 0 JJADMO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[NH2+][C@@H](CC)c3nc(C)cs3)cc2)cc1 ZINC001459930520 1067496002 /nfs/dbraw/zinc/49/60/02/1067496002.db2.gz ZCNBLFUJBFPWOG-NRFANRHFSA-N 1 1 452.580 4.782 20 0 JJADMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1csc(-c2cc(Br)cs2)n1 ZINC001459937917 1067499696 /nfs/dbraw/zinc/49/96/96/1067499696.db2.gz DJJFAMXJXPAKDU-UHFFFAOYSA-N 1 1 454.415 4.821 20 0 JJADMO CC(C)N1C(=O)C[C@H]([NH2+]CC(=O)Nc2ccc(F)cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC001459952897 1067505222 /nfs/dbraw/zinc/50/52/22/1067505222.db2.gz UWSUUTJICWHYKK-GHTZIAJQSA-N 1 1 456.320 4.550 20 0 JJADMO CC(C)N1C(=O)C[C@H]([NH2+]CC(=O)Nc2ccc(F)cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001459952905 1067505324 /nfs/dbraw/zinc/50/53/24/1067505324.db2.gz UWSUUTJICWHYKK-RXVVDRJESA-N 1 1 456.320 4.550 20 0 JJADMO COc1cc(NC(=O)C[NH2+][C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc(OC)c1 ZINC001459956695 1067506648 /nfs/dbraw/zinc/50/66/48/1067506648.db2.gz HARRKENGGWFQHO-QGZVFWFLSA-N 1 1 450.379 4.944 20 0 JJADMO Cc1cc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](Cn3cnc4ccccc43)C2)ccc1Br ZINC001459958662 1067507653 /nfs/dbraw/zinc/50/76/53/1067507653.db2.gz GWPSVIPISRTHDG-ROUUACIJSA-N 1 1 455.400 4.846 20 0 JJADMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N(Cc2ncc[nH]2)c2ccc(Br)c(Cl)c2)C1 ZINC001459970366 1067510723 /nfs/dbraw/zinc/51/07/23/1067510723.db2.gz BIKLTGWIEDWDMO-LJQANCHMSA-N 1 1 457.775 4.571 20 0 JJADMO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)CCCc1ccccc1Br ZINC001459975293 1067512173 /nfs/dbraw/zinc/51/21/73/1067512173.db2.gz WYVZALMYVKMQPV-KRWDZBQOSA-N 1 1 451.430 4.615 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC001459976749 1067512622 /nfs/dbraw/zinc/51/26/22/1067512622.db2.gz NWNWWIOTIYRGHZ-ZJSXRUAMSA-N 1 1 470.455 4.646 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc2nccnc2c1Br ZINC001459978630 1067514059 /nfs/dbraw/zinc/51/40/59/1067514059.db2.gz BEYAIXGLGSWROQ-QZTJIDSGSA-N 1 1 453.384 4.879 20 0 JJADMO CC[C@H](Cc1ccccc1Br)[N@@H+](C)CCCS(=O)(=O)c1ccccc1OC ZINC001459979414 1067514401 /nfs/dbraw/zinc/51/44/01/1067514401.db2.gz IFZQHMRCJKROLW-GOSISDBHSA-N 1 1 454.430 4.575 20 0 JJADMO CC[C@H](Cc1ccccc1Br)[N@H+](C)Cc1nc(N)nc(Nc2ccccc2C)n1 ZINC001459979540 1067514444 /nfs/dbraw/zinc/51/44/44/1067514444.db2.gz JERDFOXWOGNHRC-QGZVFWFLSA-N 1 1 455.404 4.721 20 0 JJADMO CC[C@H](Cc1ccccc1Br)[N@@H+](C)Cc1nc(N)nc(Nc2ccccc2C)n1 ZINC001459979540 1067514449 /nfs/dbraw/zinc/51/44/49/1067514449.db2.gz JERDFOXWOGNHRC-QGZVFWFLSA-N 1 1 455.404 4.721 20 0 JJADMO Cc1cc(Br)c2c(c1)C[N@@H+](CCC(=O)Nc1cccc(Br)c1)CC2 ZINC001459982539 1067515300 /nfs/dbraw/zinc/51/53/00/1067515300.db2.gz GOSGKGQQQYMSPU-UHFFFAOYSA-N 1 1 452.190 4.907 20 0 JJADMO Cc1cc(Br)c2c(c1)C[N@H+](CCC(=O)Nc1cccc(Br)c1)CC2 ZINC001459982539 1067515307 /nfs/dbraw/zinc/51/53/07/1067515307.db2.gz GOSGKGQQQYMSPU-UHFFFAOYSA-N 1 1 452.190 4.907 20 0 JJADMO O=C(C[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC001459990056 1067517235 /nfs/dbraw/zinc/51/72/35/1067517235.db2.gz XISYLBFYHOBTCK-RCXJIHSJSA-N 1 1 454.058 4.984 20 0 JJADMO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)cc1 ZINC001459991892 1067518003 /nfs/dbraw/zinc/51/80/03/1067518003.db2.gz HZYCJUDSPAEZSV-DVECYGJZSA-N 1 1 458.562 4.754 20 0 JJADMO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+]3C[C@@H](C)C[C@H]3c3cccnc3)cc2)cc1 ZINC001459999439 1067520928 /nfs/dbraw/zinc/52/09/28/1067520928.db2.gz ZEMISGQYIYAGCT-DFBJGRDBSA-N 1 1 458.562 4.754 20 0 JJADMO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@H+]3C[C@@H](C)C[C@H]3c3cccnc3)cc2)cc1 ZINC001459999439 1067520936 /nfs/dbraw/zinc/52/09/36/1067520936.db2.gz ZEMISGQYIYAGCT-DFBJGRDBSA-N 1 1 458.562 4.754 20 0 JJADMO CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccsc2)cc1 ZINC001459999390 1067521114 /nfs/dbraw/zinc/52/11/14/1067521114.db2.gz ZAAGPKNVDPNIPE-JOCHJYFZSA-N 1 1 457.640 4.801 20 0 JJADMO COc1cc(-c2nc(C[N@@H+]3CC[C@]4(C3)CCCN(C(=O)OC(C)(C)C)C4)cs2)ccc1O ZINC001460011463 1067526426 /nfs/dbraw/zinc/52/64/26/1067526426.db2.gz LBOYKCREAVSVAL-DEOSSOPVSA-N 1 1 459.612 4.747 20 0 JJADMO COc1cc(-c2nc(C[N@H+]3CC[C@]4(C3)CCCN(C(=O)OC(C)(C)C)C4)cs2)ccc1O ZINC001460011463 1067526435 /nfs/dbraw/zinc/52/64/35/1067526435.db2.gz LBOYKCREAVSVAL-DEOSSOPVSA-N 1 1 459.612 4.747 20 0 JJADMO C[N@H+](CCC(F)(F)F)[C@H](CNC(=O)c1cccc2ccc(=O)[nH]c21)c1ccc(Cl)cc1 ZINC001460013266 1067527275 /nfs/dbraw/zinc/52/72/75/1067527275.db2.gz HBXQMRYAMPJGJJ-GOSISDBHSA-N 1 1 451.876 4.949 20 0 JJADMO C[N@@H+](CCC(F)(F)F)[C@H](CNC(=O)c1cccc2ccc(=O)[nH]c21)c1ccc(Cl)cc1 ZINC001460013266 1067527281 /nfs/dbraw/zinc/52/72/81/1067527281.db2.gz HBXQMRYAMPJGJJ-GOSISDBHSA-N 1 1 451.876 4.949 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 ZINC001460022790 1067531983 /nfs/dbraw/zinc/53/19/83/1067531983.db2.gz WXHMHUGLGZHIIK-UYAOXDASSA-N 1 1 473.589 4.877 20 0 JJADMO CC1(c2cccc(Cl)c2)CC[NH+](CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC001460024963 1067532727 /nfs/dbraw/zinc/53/27/27/1067532727.db2.gz WWSHEFKGDFGYFC-UHFFFAOYSA-N 1 1 456.833 4.930 20 0 JJADMO Cc1cc(C[N@H+](C[C@H](O)COc2ccccc2)C(C)C)c(C)cc1I ZINC001460028910 1067533526 /nfs/dbraw/zinc/53/35/26/1067533526.db2.gz MIBWKWXZHADJPP-IBGZPJMESA-N 1 1 453.364 4.558 20 0 JJADMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC001460039522 1067536565 /nfs/dbraw/zinc/53/65/65/1067536565.db2.gz LKZBYZCQXZOWOY-MNAPGUCWSA-N 1 1 455.624 4.591 20 0 JJADMO CN(CCCOc1ccccc1)C(=O)C[NH+]1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC001460039571 1067536661 /nfs/dbraw/zinc/53/66/61/1067536661.db2.gz LQSWNCSLXILZKJ-UHFFFAOYSA-N 1 1 458.602 4.565 20 0 JJADMO O=C(Cc1nc(C[NH+]2CCC(COc3ccc(Cl)nc3)CC2)cs1)Nc1ccccc1 ZINC001460041820 1067537080 /nfs/dbraw/zinc/53/70/80/1067537080.db2.gz XHIRENOAOPXQMU-UHFFFAOYSA-N 1 1 456.999 4.664 20 0 JJADMO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2CCCC2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC001460057495 1067541353 /nfs/dbraw/zinc/54/13/53/1067541353.db2.gz WPFASWGIYHOLJK-IBGZPJMESA-N 1 1 451.633 4.884 20 0 JJADMO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2CCCC2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC001460057495 1067541358 /nfs/dbraw/zinc/54/13/58/1067541358.db2.gz WPFASWGIYHOLJK-IBGZPJMESA-N 1 1 451.633 4.884 20 0 JJADMO C[N@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)Cc1ccc(OCC(F)(F)F)cc1 ZINC001460080351 1067548572 /nfs/dbraw/zinc/54/85/72/1067548572.db2.gz NIUWDUJMGFIMGC-UHFFFAOYSA-N 1 1 457.496 4.857 20 0 JJADMO C[N@@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)Cc1ccc(OCC(F)(F)F)cc1 ZINC001460080351 1067548580 /nfs/dbraw/zinc/54/85/80/1067548580.db2.gz NIUWDUJMGFIMGC-UHFFFAOYSA-N 1 1 457.496 4.857 20 0 JJADMO FC(F)Oc1ccc(-n2nnnc2C[N@@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC001460086255 1067550401 /nfs/dbraw/zinc/55/04/01/1067550401.db2.gz NEQSTSHCSSMHFI-OAHLLOKOSA-N 1 1 453.415 4.662 20 0 JJADMO FC(F)Oc1ccc(-n2nnnc2C[N@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC001460086255 1067550407 /nfs/dbraw/zinc/55/04/07/1067550407.db2.gz NEQSTSHCSSMHFI-OAHLLOKOSA-N 1 1 453.415 4.662 20 0 JJADMO CC(C)C[N@H+](CC(=O)NCc1ccccc1CN1CCCC1=O)[C@H](C)c1ccccc1Cl ZINC001460087728 1067550770 /nfs/dbraw/zinc/55/07/70/1067550770.db2.gz CHXIZDKJQBFABI-HXUWFJFHSA-N 1 1 456.030 4.798 20 0 JJADMO CC(C)C[N@@H+](CC(=O)NCc1ccccc1CN1CCCC1=O)[C@H](C)c1ccccc1Cl ZINC001460087728 1067550781 /nfs/dbraw/zinc/55/07/81/1067550781.db2.gz CHXIZDKJQBFABI-HXUWFJFHSA-N 1 1 456.030 4.798 20 0 JJADMO COc1ccc(C(=O)Nc2cc(Br)ccc2N2CC[N@@H+](C)C[C@@H]2C)c(Cl)c1 ZINC001460092701 1067552558 /nfs/dbraw/zinc/55/25/58/1067552558.db2.gz JEMDSPWTHQNVQR-ZDUSSCGKSA-N 1 1 452.780 4.504 20 0 JJADMO COc1ccc(N=c2scc(C[N@H+]3CCCCC[C@@H]3CCO)n2Cc2ccccc2)cc1 ZINC001460093029 1067552761 /nfs/dbraw/zinc/55/27/61/1067552761.db2.gz HMZDJLBQXPCWJO-HSZRJFAPSA-N 1 1 451.636 4.966 20 0 JJADMO C[C@@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1ccc(F)c2cccnc12 ZINC001460097499 1067554516 /nfs/dbraw/zinc/55/45/16/1067554516.db2.gz VQQFMZJKDPGSSD-CQSZACIVSA-N 1 1 457.347 4.529 20 0 JJADMO CN(C)S(=O)(=O)c1cccc(C[NH2+][C@@H](Cc2ccccc2)c2nc3ccccc3s2)c1 ZINC001460102278 1067555591 /nfs/dbraw/zinc/55/55/91/1067555591.db2.gz LDGRYBBDBXMHHC-QFIPXVFZSA-N 1 1 451.617 4.620 20 0 JJADMO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460110541 1067556861 /nfs/dbraw/zinc/55/68/61/1067556861.db2.gz PLWRPNAPQJRLTD-IPMKNSEASA-N 1 1 450.023 4.944 20 0 JJADMO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cs1)c1ccc(C(F)(F)F)cc1 ZINC001460135170 1067562013 /nfs/dbraw/zinc/56/20/13/1067562013.db2.gz MPSVURDGCROPFU-XUVXKRRUSA-N 1 1 453.530 4.972 20 0 JJADMO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cs1)c1ccc(C(F)(F)F)cc1 ZINC001460135170 1067562021 /nfs/dbraw/zinc/56/20/21/1067562021.db2.gz MPSVURDGCROPFU-XUVXKRRUSA-N 1 1 453.530 4.972 20 0 JJADMO O=C1[C@H]([N@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)CCN1c1ccc(Cl)c(F)c1 ZINC001460137612 1067562837 /nfs/dbraw/zinc/56/28/37/1067562837.db2.gz HISSHWMGDKCUMY-FOIQADDNSA-N 1 1 451.767 4.912 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@@H](C[N@H+]3CC[C@@H](Sc4cccc(Cl)c4)C3)C2)C1 ZINC001460146577 1067564504 /nfs/dbraw/zinc/56/45/04/1067564504.db2.gz YTPGHDVXYJDYKO-KKLQWCBXSA-N 1 1 453.048 4.923 20 0 JJADMO O[C@H](COc1cc(F)cc(Br)c1)C[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC001460150584 1067565635 /nfs/dbraw/zinc/56/56/35/1067565635.db2.gz INIWUZWJPIEPPG-URXFXBBRSA-N 1 1 456.355 4.976 20 0 JJADMO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460157896 1067566726 /nfs/dbraw/zinc/56/67/26/1067566726.db2.gz NLGVZFCKYRAHPP-MOPGFXCFSA-N 1 1 450.023 4.946 20 0 JJADMO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460157902 1067566813 /nfs/dbraw/zinc/56/68/13/1067566813.db2.gz NLGVZFCKYRAHPP-RBUKOAKNSA-N 1 1 450.023 4.946 20 0 JJADMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2csc(-c3ccc(Br)cc3)n2)C1 ZINC001460167341 1067568257 /nfs/dbraw/zinc/56/82/57/1067568257.db2.gz SCPPPTNHYALERZ-JOCHJYFZSA-N 1 1 457.393 4.889 20 0 JJADMO CCc1cc2c(C[N@H+]3CCCC[C@@H]3[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc(=O)oc2cc1O ZINC001460170998 1067569699 /nfs/dbraw/zinc/56/96/99/1067569699.db2.gz ABQAWVZDGHZYRI-GHTZIAJQSA-N 1 1 456.583 4.673 20 0 JJADMO Cc1ccc(S(=O)(=O)N[C@H](C[N@H+]2Cc3ccccc3OC(C)(C)C2)c2ccccc2)cc1 ZINC001460174419 1067570705 /nfs/dbraw/zinc/57/07/05/1067570705.db2.gz IXSNOTVKVNNRIB-XMMPIXPASA-N 1 1 450.604 4.688 20 0 JJADMO CCOC(=O)c1sc(-c2ccc(Cl)cc2Cl)cc1NC(=O)C[N@H+](C)[C@@H](CC)CO ZINC001460176444 1067571338 /nfs/dbraw/zinc/57/13/38/1067571338.db2.gz GHVVDEGSPBZYQM-ZDUSSCGKSA-N 1 1 459.395 4.540 20 0 JJADMO CCOC(=O)c1sc(-c2ccc(Cl)cc2Cl)cc1NC(=O)C[N@@H+](C)[C@@H](CC)CO ZINC001460176444 1067571350 /nfs/dbraw/zinc/57/13/50/1067571350.db2.gz GHVVDEGSPBZYQM-ZDUSSCGKSA-N 1 1 459.395 4.540 20 0 JJADMO CC(=O)N(c1nc(CN2CC[N@H+](C3CC3)C[C@H](C)C2)cs1)c1cccc(C(F)(F)F)c1 ZINC001460181518 1067573061 /nfs/dbraw/zinc/57/30/61/1067573061.db2.gz MSPRSMFLWYADHT-OAHLLOKOSA-N 1 1 452.546 4.763 20 0 JJADMO CC[C@@H](c1ccccc1OC)[N@H+](C)CC(=O)Nc1ccc(I)cc1C ZINC001460181455 1067573124 /nfs/dbraw/zinc/57/31/24/1067573124.db2.gz HMIABXJQAOZTIF-SFHVURJKSA-N 1 1 452.336 4.630 20 0 JJADMO CC[C@@H](c1ccccc1OC)[N@@H+](C)CC(=O)Nc1ccc(I)cc1C ZINC001460181455 1067573129 /nfs/dbraw/zinc/57/31/29/1067573129.db2.gz HMIABXJQAOZTIF-SFHVURJKSA-N 1 1 452.336 4.630 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCC[N@H+]2CC(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC001460215881 1067581431 /nfs/dbraw/zinc/58/14/31/1067581431.db2.gz RKOGKNGTNCMZNI-UZLBHIALSA-N 1 1 453.986 4.919 20 0 JJADMO COc1ccc([C@H](O)C[N@@H+](CC(=O)Nc2cccc(Cl)c2)[C@H](C)Cc2ccccc2)cc1 ZINC001460238416 1067587833 /nfs/dbraw/zinc/58/78/33/1067587833.db2.gz DGZVLDSVZACTKP-KBMIEXCESA-N 1 1 452.982 4.954 20 0 JJADMO C[N@H+](C[C@@H](O)c1ccccc1Br)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001460245161 1067589875 /nfs/dbraw/zinc/58/98/75/1067589875.db2.gz IJNZBHGZHMVQML-ZWKOTPCHSA-N 1 1 458.183 4.527 20 0 JJADMO C[N@@H+](C[C@@H](O)c1ccccc1Br)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001460245161 1067589879 /nfs/dbraw/zinc/58/98/79/1067589879.db2.gz IJNZBHGZHMVQML-ZWKOTPCHSA-N 1 1 458.183 4.527 20 0 JJADMO Cc1ccc(NC(=O)Cc2nc(C[N@@H+]3CCC[C@H](CCC(=O)OC(C)(C)C)C3)cs2)cc1 ZINC001460258423 1067592650 /nfs/dbraw/zinc/59/26/50/1067592650.db2.gz MGFFEQOGXPGENA-LJQANCHMSA-N 1 1 457.640 4.967 20 0 JJADMO Cc1ccc(NC(=O)Cc2nc(C[N@H+]3CCC[C@H](CCC(=O)OC(C)(C)C)C3)cs2)cc1 ZINC001460258423 1067592654 /nfs/dbraw/zinc/59/26/54/1067592654.db2.gz MGFFEQOGXPGENA-LJQANCHMSA-N 1 1 457.640 4.967 20 0 JJADMO CCC1(CC)CN(c2nnc(-c3ccc(OC)cc3)n2CC[N@@H+](C)C2CCCC2)CCS1 ZINC001546115134 1067593278 /nfs/dbraw/zinc/59/32/78/1067593278.db2.gz TXUKQAURWOAACW-UHFFFAOYSA-N 1 1 457.688 4.940 20 0 JJADMO COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C[C@H]1c1ccc(Br)cc1 ZINC001460273048 1067595248 /nfs/dbraw/zinc/59/52/48/1067595248.db2.gz AFQREFRYMWLCSF-YQVWRLOYSA-N 1 1 473.194 4.678 20 0 JJADMO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1Br ZINC001460273587 1067595351 /nfs/dbraw/zinc/59/53/51/1067595351.db2.gz YESHYSLEWOFJHS-QAPCUYQASA-N 1 1 451.355 4.954 20 0 JJADMO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CCC[C@H]1Cc1ccccc1Br ZINC001460273587 1067595357 /nfs/dbraw/zinc/59/53/57/1067595357.db2.gz YESHYSLEWOFJHS-QAPCUYQASA-N 1 1 451.355 4.954 20 0 JJADMO CN(C)c1[nH+]ccc2cc(NC(=O)CCC(=O)NC(c3ccccc3)c3ccccc3)ccc21 ZINC001460277884 1067596166 /nfs/dbraw/zinc/59/61/66/1067596166.db2.gz XQWHWSKLWYGJLJ-UHFFFAOYSA-N 1 1 452.558 4.925 20 0 JJADMO C[C@@H]1CC2(C[N@H+]1Cc1cccc(C(=O)N3CCCCC3)c1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001460279086 1067596666 /nfs/dbraw/zinc/59/66/66/1067596666.db2.gz XZVGLRDQLUQNGZ-OAQYLSRUSA-N 1 1 455.643 4.924 20 0 JJADMO C[C@H]1CCc2c(sc3nc(CC[N@H+]4CCCC[C@H]4CCC(=O)OC(C)(C)C)nc(N)c32)C1 ZINC001460278982 1067596723 /nfs/dbraw/zinc/59/67/23/1067596723.db2.gz NPCNRKUDFABIER-IRXDYDNUSA-N 1 1 458.672 4.917 20 0 JJADMO COC1([C@@H](C)[NH2+]Cc2csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n2)CCOCC1 ZINC001460294354 1067599947 /nfs/dbraw/zinc/59/99/47/1067599947.db2.gz CLVMWXTVNLICHY-CQSZACIVSA-N 1 1 457.518 4.520 20 0 JJADMO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)c(Cl)c1 ZINC001460300033 1067601490 /nfs/dbraw/zinc/60/14/90/1067601490.db2.gz BLRFLLPZJFZXIT-ICSRJNTNSA-N 1 1 459.993 4.841 20 0 JJADMO Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)c(Cl)c1 ZINC001460300033 1067601494 /nfs/dbraw/zinc/60/14/94/1067601494.db2.gz BLRFLLPZJFZXIT-ICSRJNTNSA-N 1 1 459.993 4.841 20 0 JJADMO O=C(C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1)NCc1ccc(F)cc1 ZINC001460302270 1067602279 /nfs/dbraw/zinc/60/22/79/1067602279.db2.gz PIRVXPIQWOHYLL-QHCPKHFHSA-N 1 1 459.565 4.997 20 0 JJADMO CC(C)(C)[C@@H](NC(=O)C[N@@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1)c1cccs1 ZINC001460302935 1067602843 /nfs/dbraw/zinc/60/28/43/1067602843.db2.gz UNOPBZNRVYAJAZ-DVECYGJZSA-N 1 1 459.631 4.509 20 0 JJADMO CC(C)(C)[C@@H](NC(=O)C[N@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1)c1cccs1 ZINC001460302935 1067602850 /nfs/dbraw/zinc/60/28/50/1067602850.db2.gz UNOPBZNRVYAJAZ-DVECYGJZSA-N 1 1 459.631 4.509 20 0 JJADMO CC[C@@H]1[C@@H](C(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)CCN1C(=O)OC(C)(C)C ZINC001460309270 1067604656 /nfs/dbraw/zinc/60/46/56/1067604656.db2.gz WLXGAJKPIYQAIA-FCHUYYIVSA-N 1 1 450.583 4.618 20 0 JJADMO COc1ccc(-c2nc(C[NH+]3CCC4(CN(C(=O)OC(C)(C)C)C4)CC3)cs2)c(OC)c1 ZINC001460315010 1067605786 /nfs/dbraw/zinc/60/57/86/1067605786.db2.gz OMWIDELBWCLQGK-UHFFFAOYSA-N 1 1 459.612 4.660 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCOc2ccc(F)cc2Cl)C1 ZINC001460317091 1067606327 /nfs/dbraw/zinc/60/63/27/1067606327.db2.gz JIPJYCDCNULWTC-QFUCXCTJSA-N 1 1 456.986 4.785 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCSc2ccc(F)cc2F)C1 ZINC001460319339 1067606694 /nfs/dbraw/zinc/60/66/94/1067606694.db2.gz VSUPHYVFYDPHCA-HOJAQTOUSA-N 1 1 456.599 4.984 20 0 JJADMO Cc1cc(C)n(-c2ccc(C(=O)N3CC[N@H+](CCCc4ccccc4)C[C@H]3CC(C)C)cn2)n1 ZINC001460322465 1067608032 /nfs/dbraw/zinc/60/80/32/1067608032.db2.gz BOGKVIBJVUWPNE-AREMUKBSSA-N 1 1 459.638 4.689 20 0 JJADMO C[N@@H+](CC1CN(S(C)(=O)=O)C1)[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC001460330583 1067609893 /nfs/dbraw/zinc/60/98/93/1067609893.db2.gz XSNDOBZYQHGWJP-JTSKRJEESA-N 1 1 453.435 4.783 20 0 JJADMO C[C@@H]1C[N@@H+](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CCc2ccc(Cl)cc21 ZINC001460338406 1067611465 /nfs/dbraw/zinc/61/14/65/1067611465.db2.gz MJGBWKGMXFFUNG-DKLXNKCPSA-N 1 1 459.030 4.799 20 0 JJADMO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@H+]3CCc4ccccc4[C@@H](C)C3)cc2)cc1 ZINC001460345820 1067613299 /nfs/dbraw/zinc/61/32/99/1067613299.db2.gz WXMWURLTYVEKRW-FQEVSTJZSA-N 1 1 457.574 4.938 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCSc3ccc(F)cc3F)C2)C1 ZINC001460366871 1067619363 /nfs/dbraw/zinc/61/93/63/1067619363.db2.gz MPAJIZHOILJCKR-HQRMLTQVSA-N 1 1 456.599 4.841 20 0 JJADMO CCCCCOc1ccc(Br)cc1C[N@@H+]1C[C@H]2COC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC001460376178 1067621302 /nfs/dbraw/zinc/62/13/02/1067621302.db2.gz OHZRCDNEWFQWAQ-MBSDFSHPSA-N 1 1 468.432 4.808 20 0 JJADMO CCCCCOc1ccc(Br)cc1C[N@H+]1C[C@H]2COC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC001460376178 1067621312 /nfs/dbraw/zinc/62/13/12/1067621312.db2.gz OHZRCDNEWFQWAQ-MBSDFSHPSA-N 1 1 468.432 4.808 20 0 JJADMO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c1C ZINC001460411247 1067629809 /nfs/dbraw/zinc/62/98/09/1067629809.db2.gz QRAKKLSQHKXAGQ-GHTZIAJQSA-N 1 1 459.631 4.764 20 0 JJADMO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c1C ZINC001460411247 1067629812 /nfs/dbraw/zinc/62/98/12/1067629812.db2.gz QRAKKLSQHKXAGQ-GHTZIAJQSA-N 1 1 459.631 4.764 20 0 JJADMO COc1ccccc1-c1nnc(C[N@H+]2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)o1 ZINC001460411864 1067630309 /nfs/dbraw/zinc/63/03/09/1067630309.db2.gz SGNWZEVXGSPDFS-IBGZPJMESA-N 1 1 456.587 4.604 20 0 JJADMO C[C@]12CC[N@@H+](CCC(=O)Nc3cccc4ccccc43)C[C@H]1C2(Br)Br ZINC001460414948 1067631244 /nfs/dbraw/zinc/63/12/44/1067631244.db2.gz GUSWCXHMFGFLMV-MJGOQNOKSA-N 1 1 466.217 4.996 20 0 JJADMO O=C(C[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC001460416092 1067631268 /nfs/dbraw/zinc/63/12/68/1067631268.db2.gz PEBRDCKRVWFYGX-JTDSTZFVSA-N 1 1 461.425 4.632 20 0 JJADMO CC(C)[C@@H]1CN([C@H]2CCc3cc(Br)ccc3NC2=O)CC[N@H+]1Cc1ccccc1 ZINC001460428474 1067633217 /nfs/dbraw/zinc/63/32/17/1067633217.db2.gz GXSWQJKCNABOQR-GOTSBHOMSA-N 1 1 456.428 4.545 20 0 JJADMO Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+](Cc2ccccc2)[C@H](C)Cc2ccccc2)c(C)c1 ZINC001460478576 1067641679 /nfs/dbraw/zinc/64/16/79/1067641679.db2.gz MFWNNWQLJLCUOU-XMMPIXPASA-N 1 1 457.618 4.800 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(OCc3ccccc3)cc2)CC[C@H]1F ZINC001460477968 1067641732 /nfs/dbraw/zinc/64/17/32/1067641732.db2.gz PWGCYXNDWCSSPG-DHIUTWEWSA-N 1 1 471.573 4.531 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCCc1cnc(SC2CCCC2)nc1 ZINC001460481296 1067642800 /nfs/dbraw/zinc/64/28/00/1067642800.db2.gz VASXIZTZZLBOKR-ISKFKSNPSA-N 1 1 452.668 4.718 20 0 JJADMO CCC(CC)C(=O)N1CC[NH+](C[C@@H](O)c2ccc(-c3ccc(Br)cc3)cc2)CC1 ZINC001460486418 1067644125 /nfs/dbraw/zinc/64/41/25/1067644125.db2.gz FHIQPECGVRUSNF-HSZRJFAPSA-N 1 1 459.428 4.730 20 0 JJADMO COc1ccc(N=c2scc(C[N@H+]3CC[C@H](C)[C@@H](CO)C3)n2[C@H](C)c2ccccc2)cc1 ZINC001460501923 1067645683 /nfs/dbraw/zinc/64/56/83/1067645683.db2.gz FCOXTJAQTFUPRP-TUNNFDKTSA-N 1 1 451.636 4.850 20 0 JJADMO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(Cc3ccc(Cl)c(Br)c3)C2)ccn1 ZINC001460512668 1067647203 /nfs/dbraw/zinc/64/72/03/1067647203.db2.gz VOJIZTAJIHLXBH-IBGZPJMESA-N 1 1 452.824 4.991 20 0 JJADMO Cc1[nH+]cn(-c2ccc(NC(=O)c3nc(Br)ccc3Br)cc2)c1C ZINC001460531198 1067652240 /nfs/dbraw/zinc/65/22/40/1067652240.db2.gz HHQZUXOSMJFTDC-UHFFFAOYSA-N 1 1 450.134 4.661 20 0 JJADMO O=C(CC[N@@H+]1CCc2cc(F)cc(Br)c2C1)Nc1cccc(Br)c1 ZINC001460563976 1067656351 /nfs/dbraw/zinc/65/63/51/1067656351.db2.gz JIQKSXLRESMYKW-UHFFFAOYSA-N 1 1 456.153 4.738 20 0 JJADMO O=C(CC[N@H+]1CCc2cc(F)cc(Br)c2C1)Nc1cccc(Br)c1 ZINC001460563976 1067656354 /nfs/dbraw/zinc/65/63/54/1067656354.db2.gz JIQKSXLRESMYKW-UHFFFAOYSA-N 1 1 456.153 4.738 20 0 JJADMO C[N@@H+](CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1)[C@@H]1CCCC[C@H]1O ZINC001460582863 1067661804 /nfs/dbraw/zinc/66/18/04/1067661804.db2.gz WCYKWNHHGIVHMX-DHIUTWEWSA-N 1 1 453.583 4.718 20 0 JJADMO Clc1cccc(C[NH+]2CCC(Cc3nc(C4CCOCC4)no3)CC2)c1Br ZINC001460594491 1067664930 /nfs/dbraw/zinc/66/49/30/1067664930.db2.gz NWWOAKWNGLJDFZ-UHFFFAOYSA-N 1 1 454.796 4.834 20 0 JJADMO CC1(C)[C@@H](c2ccc(C(F)(F)F)cc2)CC[N@H+]1CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC001460636944 1067681032 /nfs/dbraw/zinc/68/10/32/1067681032.db2.gz LBBIHSRPJSXJRZ-WMZHIEFXSA-N 1 1 459.556 4.916 20 0 JJADMO CC1(C)[C@H](c2ccccc2F)CC[N@@H+]1CC(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC001460645518 1067684744 /nfs/dbraw/zinc/68/47/44/1067684744.db2.gz UPWFJOQCWLCPQO-QHCPKHFHSA-N 1 1 459.565 4.962 20 0 JJADMO CC1(C)[C@H](c2ccccc2F)CC[N@H+]1CC(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC001460645518 1067684749 /nfs/dbraw/zinc/68/47/49/1067684749.db2.gz UPWFJOQCWLCPQO-QHCPKHFHSA-N 1 1 459.565 4.962 20 0 JJADMO Cc1ccc(S(=O)(=O)N[C@@H](C[N@@H+]2CCC[C@@](F)(c3ccccc3)C2)c2ccccc2)cc1 ZINC001460647643 1067685256 /nfs/dbraw/zinc/68/52/56/1067685256.db2.gz ANFMRAPGFYIENP-UIOOFZCWSA-N 1 1 452.595 4.975 20 0 JJADMO Cc1ccc(S(=O)(=O)N[C@@H](C[N@H+]2CCC[C@@](F)(c3ccccc3)C2)c2ccccc2)cc1 ZINC001460647643 1067685259 /nfs/dbraw/zinc/68/52/59/1067685259.db2.gz ANFMRAPGFYIENP-UIOOFZCWSA-N 1 1 452.595 4.975 20 0 JJADMO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC001460651652 1067687270 /nfs/dbraw/zinc/68/72/70/1067687270.db2.gz JJVXVSWHKWAPRQ-ROUUACIJSA-N 1 1 458.649 4.832 20 0 JJADMO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC001460651652 1067687274 /nfs/dbraw/zinc/68/72/74/1067687274.db2.gz JJVXVSWHKWAPRQ-ROUUACIJSA-N 1 1 458.649 4.832 20 0 JJADMO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC001460651643 1067687286 /nfs/dbraw/zinc/68/72/86/1067687286.db2.gz JJVXVSWHKWAPRQ-MSOLQXFVSA-N 1 1 458.649 4.832 20 0 JJADMO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC001460651643 1067687289 /nfs/dbraw/zinc/68/72/89/1067687289.db2.gz JJVXVSWHKWAPRQ-MSOLQXFVSA-N 1 1 458.649 4.832 20 0 JJADMO Cn1cc([C@@H]2C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc3cccc(SC(F)(F)F)c3)C2)cn1 ZINC001460654876 1067689413 /nfs/dbraw/zinc/68/94/13/1067689413.db2.gz GYKMFBWMVDVSQL-SJORKVTESA-N 1 1 455.546 4.979 20 0 JJADMO C[C@]1(Cc2ccc(F)c(F)c2)CCC[N@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC001460655986 1067689873 /nfs/dbraw/zinc/68/98/73/1067689873.db2.gz VHVCGPNNHGWXFW-DYESRHJHSA-N 1 1 458.318 4.703 20 0 JJADMO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@H]2c2cncc(C)c2)cc1 ZINC001460657878 1067690777 /nfs/dbraw/zinc/69/07/77/1067690777.db2.gz AXDLDDQFFKVROH-DEOSSOPVSA-N 1 1 458.562 4.817 20 0 JJADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001460670541 1067694617 /nfs/dbraw/zinc/69/46/17/1067694617.db2.gz MFQWNNPXPBICOK-JYFHCDHNSA-N 1 1 459.638 4.803 20 0 JJADMO CC(C)(C)OC(=O)NCc1cccc(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001460682454 1067700279 /nfs/dbraw/zinc/70/02/79/1067700279.db2.gz XIYXNEDBVGORQQ-HSZRJFAPSA-N 1 1 451.611 4.743 20 0 JJADMO COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C[C@@H](O)c2cc3ccccc3o2)c1 ZINC001460701544 1067704148 /nfs/dbraw/zinc/70/41/48/1067704148.db2.gz JEJJVBORWUFZDO-FGZHOGPDSA-N 1 1 452.551 4.769 20 0 JJADMO COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C[C@@H](O)c2cc3ccccc3o2)c1 ZINC001460701544 1067704155 /nfs/dbraw/zinc/70/41/55/1067704155.db2.gz JEJJVBORWUFZDO-FGZHOGPDSA-N 1 1 452.551 4.769 20 0 JJADMO O=C(C[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F)N1c2ccccc2CCc2ccccc21 ZINC001460699406 1067704224 /nfs/dbraw/zinc/70/42/24/1067704224.db2.gz YZEFGMARPLMJLL-BWKNWUBXSA-N 1 1 454.492 4.574 20 0 JJADMO COC(=O)c1scc(C)c1NC(=O)[C@@H](C)[N@H+](Cc1ccc(-c2ccccn2)nc1)C(C)C ZINC001460713949 1067707121 /nfs/dbraw/zinc/70/71/21/1067707121.db2.gz UZOLQTBIRXDMIG-QGZVFWFLSA-N 1 1 452.580 4.538 20 0 JJADMO COC(=O)c1scc(C)c1NC(=O)[C@@H](C)[N@@H+](Cc1ccc(-c2ccccn2)nc1)C(C)C ZINC001460713949 1067707128 /nfs/dbraw/zinc/70/71/28/1067707128.db2.gz UZOLQTBIRXDMIG-QGZVFWFLSA-N 1 1 452.580 4.538 20 0 JJADMO CCOC(=O)c1sc([C@@H]2CC[N@@H+](CC3(COc4cccc(COC)c4)CCC3)C2)nc1C ZINC001460717461 1067708227 /nfs/dbraw/zinc/70/82/27/1067708227.db2.gz KOBFEHIVDLKFMN-HXUWFJFHSA-N 1 1 458.624 4.813 20 0 JJADMO CC1(C)[C@@H](c2ccc(F)c(F)c2)CC[N@H+]1CC(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC001460716439 1067708248 /nfs/dbraw/zinc/70/82/48/1067708248.db2.gz GALSHBILOOJWPM-GOSISDBHSA-N 1 1 456.455 4.790 20 0 JJADMO C[C@@H]1NC(=O)N(CC[N@H+](C)Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2Cl)C1=O ZINC001460717341 1067708274 /nfs/dbraw/zinc/70/82/74/1067708274.db2.gz IWBYSNHKWOBCPY-LBPRGKRZSA-N 1 1 456.757 4.811 20 0 JJADMO C[C@@H]1NC(=O)N(CC[N@@H+](C)Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2Cl)C1=O ZINC001460717341 1067708279 /nfs/dbraw/zinc/70/82/79/1067708279.db2.gz IWBYSNHKWOBCPY-LBPRGKRZSA-N 1 1 456.757 4.811 20 0 JJADMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN[C@@H](C)c2cc(Cl)cc(Cl)c2F)CC1 ZINC001460750282 1067715421 /nfs/dbraw/zinc/71/54/21/1067715421.db2.gz WJVWAUZCAZGDPM-KRWDZBQOSA-N 1 1 452.401 4.826 20 0 JJADMO COc1ccc(COCCC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1 ZINC001460761089 1067718533 /nfs/dbraw/zinc/71/85/33/1067718533.db2.gz HGQLNZJCKWWBII-RRPNLBNLSA-N 1 1 462.565 4.525 20 0 JJADMO CC(C)(C)OC(=O)NCC[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC001460763253 1067718841 /nfs/dbraw/zinc/71/88/41/1067718841.db2.gz QFJIDTYOXJZBLD-NRFANRHFSA-N 1 1 459.974 4.692 20 0 JJADMO CC(C)(C)OC(=O)NCC[N@H+](Cc1cccc(Cl)c1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC001460763253 1067718844 /nfs/dbraw/zinc/71/88/44/1067718844.db2.gz QFJIDTYOXJZBLD-NRFANRHFSA-N 1 1 459.974 4.692 20 0 JJADMO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2CC2(O)CCCCC2)c(C(F)(F)F)c1 ZINC001460762000 1067718992 /nfs/dbraw/zinc/71/89/92/1067718992.db2.gz PYNKPGCKAFIYGI-GOSISDBHSA-N 1 1 455.521 4.542 20 0 JJADMO CCOC(=O)Nc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1 ZINC001460763800 1067719446 /nfs/dbraw/zinc/71/94/46/1067719446.db2.gz LYFLQIODTNOSBN-LOSJGSFVSA-N 1 1 461.537 4.792 20 0 JJADMO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460778768 1067721659 /nfs/dbraw/zinc/72/16/59/1067721659.db2.gz PIFJLGYSXBIXRR-MZNJEOGPSA-N 1 1 458.628 4.736 20 0 JJADMO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460778768 1067721664 /nfs/dbraw/zinc/72/16/64/1067721664.db2.gz PIFJLGYSXBIXRR-MZNJEOGPSA-N 1 1 458.628 4.736 20 0 JJADMO COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C[N@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)C2 ZINC001460776602 1067721742 /nfs/dbraw/zinc/72/17/42/1067721742.db2.gz YCXZDWILYZFSBA-LRAJWGHMSA-N 1 1 476.923 4.637 20 0 JJADMO COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C[N@@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)C2 ZINC001460776602 1067721745 /nfs/dbraw/zinc/72/17/45/1067721745.db2.gz YCXZDWILYZFSBA-LRAJWGHMSA-N 1 1 476.923 4.637 20 0 JJADMO COC(=O)[C@H](N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001460779604 1067722072 /nfs/dbraw/zinc/72/20/72/1067722072.db2.gz ITCUBSBEJXBQQP-GUDVDZBRSA-N 1 1 460.418 4.572 20 0 JJADMO COC(=O)[C@H](N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001460779604 1067722079 /nfs/dbraw/zinc/72/20/79/1067722079.db2.gz ITCUBSBEJXBQQP-GUDVDZBRSA-N 1 1 460.418 4.572 20 0 JJADMO CC(C)(C)OC(=O)NC1CCC2(CC1)C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)CCO2 ZINC001460841384 1067732841 /nfs/dbraw/zinc/73/28/41/1067732841.db2.gz IOKHNUSBIGGRDQ-UHFFFAOYSA-N 1 1 458.521 4.666 20 0 JJADMO C[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001460844469 1067733514 /nfs/dbraw/zinc/73/35/14/1067733514.db2.gz IYMHQSNPQBWYCG-LPHOPBHVSA-N 1 1 456.414 4.598 20 0 JJADMO C[N@H+](CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001460844469 1067733523 /nfs/dbraw/zinc/73/35/23/1067733523.db2.gz IYMHQSNPQBWYCG-LPHOPBHVSA-N 1 1 456.414 4.598 20 0 JJADMO CC(C)(C)OC(=O)N1CCC2(CC1)C[N@@H+](C[C@H](O)c1cccc(F)c1)Cc1ccccc1O2 ZINC001460844092 1067733632 /nfs/dbraw/zinc/73/36/32/1067733632.db2.gz PJDQMCAOCCKIKJ-QFIPXVFZSA-N 1 1 456.558 4.523 20 0 JJADMO O=C(C[NH+]1CCC(CC2CCCCC2)CC1)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC001460855788 1067735615 /nfs/dbraw/zinc/73/56/15/1067735615.db2.gz HXICJSZNAJSSCM-OAQYLSRUSA-N 1 1 451.533 4.975 20 0 JJADMO COC(=O)c1csc(C[N@H+]2CCC[C@@]2(C)Cc2ccc(I)cc2)c1 ZINC001460869522 1067738736 /nfs/dbraw/zinc/73/87/36/1067738736.db2.gz IINFYKNREQNHOC-IBGZPJMESA-N 1 1 455.361 4.737 20 0 JJADMO CC(C)(C)C[C@@H](NC(=O)C[N@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1)c1ccc(F)cc1 ZINC001460882524 1067741758 /nfs/dbraw/zinc/74/17/58/1067741758.db2.gz GLUONIZCMSGCEU-KCZVDYSFSA-N 1 1 461.622 4.608 20 0 JJADMO COc1ccccc1NC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)C1 ZINC001460910714 1067746627 /nfs/dbraw/zinc/74/66/27/1067746627.db2.gz ZIAAKITXJRJITF-YOSAUDMPSA-N 1 1 459.590 4.765 20 0 JJADMO O=C(C[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC001460920735 1067748347 /nfs/dbraw/zinc/74/83/47/1067748347.db2.gz DPNORINQFDCSNS-RBUKOAKNSA-N 1 1 455.986 4.669 20 0 JJADMO O=C(C[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC001460920734 1067748521 /nfs/dbraw/zinc/74/85/21/1067748521.db2.gz DPNORINQFDCSNS-OALUTQOASA-N 1 1 455.986 4.669 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)Nc1ccccc1Oc1ccccc1)C2 ZINC001460927688 1067749574 /nfs/dbraw/zinc/74/95/74/1067749574.db2.gz CXPZYUQIANPBIC-ZCNNSNEGSA-N 1 1 451.567 4.795 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)Nc1ccccc1Oc1ccccc1)C2 ZINC001460927688 1067749580 /nfs/dbraw/zinc/74/95/80/1067749580.db2.gz CXPZYUQIANPBIC-ZCNNSNEGSA-N 1 1 451.567 4.795 20 0 JJADMO CC(C)(C)OC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001460948333 1067752332 /nfs/dbraw/zinc/75/23/32/1067752332.db2.gz NFUARTIUZCWJPO-NLFFAJNJSA-N 1 1 451.652 4.889 20 0 JJADMO CC(C)(C)OC(=O)NC[C@]12C[N@@H+](CC(=O)Nc3ccc(Cl)c(Cl)c3)C[C@@H]1CCCC2 ZINC001460970055 1067754600 /nfs/dbraw/zinc/75/46/00/1067754600.db2.gz GOKZMVCGFOAKRL-OYHNWAKOSA-N 1 1 456.414 4.949 20 0 JJADMO CCCCCCc1ccc(-c2csc(NC(=O)[C@H](C)[N@@H+]3CC[C@@]4(CCOC4=O)C3)n2)cc1 ZINC001460971241 1067754649 /nfs/dbraw/zinc/75/46/49/1067754649.db2.gz GOVUDZSROICJCS-AVRWGWEMSA-N 1 1 455.624 4.899 20 0 JJADMO CCCCCCc1ccc(-c2csc(NC(=O)[C@H](C)[N@H+]3CC[C@@]4(CCOC4=O)C3)n2)cc1 ZINC001460971241 1067754659 /nfs/dbraw/zinc/75/46/59/1067754659.db2.gz GOVUDZSROICJCS-AVRWGWEMSA-N 1 1 455.624 4.899 20 0 JJADMO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1C[C@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460980045 1067756387 /nfs/dbraw/zinc/75/63/87/1067756387.db2.gz YBNAQANZPHNRHC-OJLQRUNKSA-N 1 1 458.628 4.640 20 0 JJADMO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1C[C@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460980045 1067756393 /nfs/dbraw/zinc/75/63/93/1067756393.db2.gz YBNAQANZPHNRHC-OJLQRUNKSA-N 1 1 458.628 4.640 20 0 JJADMO COC(=O)C=Cc1ccc(OCC[N@H+]2CCc3cccc(NC(=O)OC(C)(C)C)c3C2)cc1 ZINC001460983366 1067756711 /nfs/dbraw/zinc/75/67/11/1067756711.db2.gz ZPLAPEZUOCRICF-RAXLEYEMSA-N 1 1 452.551 4.657 20 0 JJADMO CCn1c(Br)c(Br)nc1C[NH2+]CCOc1ccc(C(C)(C)C)cc1 ZINC001461002205 1067760654 /nfs/dbraw/zinc/76/06/54/1067760654.db2.gz VBYJYCZTIGTPIQ-UHFFFAOYSA-N 1 1 459.226 4.894 20 0 JJADMO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC001461018260 1067762991 /nfs/dbraw/zinc/76/29/91/1067762991.db2.gz AXSMTYAWHDRWGE-UHFFFAOYSA-N 1 1 453.428 4.740 20 0 JJADMO FC(F)(F)c1cccc(N2CC[NH+](CCCCNCc3ccn(-c4ccccc4)n3)CC2)c1 ZINC001461036057 1067766651 /nfs/dbraw/zinc/76/66/51/1067766651.db2.gz RZWIIIFGIDIIFR-UHFFFAOYSA-N 1 1 457.544 4.583 20 0 JJADMO FC(F)(F)c1cccc(N2CC[NH+](CCCNCc3cc(Cl)cc4c3OCC4)CC2)c1 ZINC001461037375 1067767318 /nfs/dbraw/zinc/76/73/18/1067767318.db2.gz RVIQGCHARWJBDX-UHFFFAOYSA-N 1 1 453.936 4.596 20 0 JJADMO CCC1(CC)CN(c2nnc([C@H]3CCCO3)n2CCC[N@@H+](C)Cc2ccccc2)CCS1 ZINC001546121390 1067776486 /nfs/dbraw/zinc/77/64/86/1067776486.db2.gz WDLKBACUQVHCIW-JOCHJYFZSA-N 1 1 457.688 4.764 20 0 JJADMO CC(=O)Nc1cc(Cl)c(NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c(Cl)c1 ZINC001461179205 1067793518 /nfs/dbraw/zinc/79/35/18/1067793518.db2.gz ODLHACLLEKLVGO-ZIAGYGMSSA-N 1 1 450.366 4.813 20 0 JJADMO C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001461194841 1067797143 /nfs/dbraw/zinc/79/71/43/1067797143.db2.gz WIWRBIVNCDCZRM-PBZQEHOFSA-N 1 1 497.705 4.867 20 0 JJADMO CCc1ccc([C@@H]([NH2+]Cc2ccc(-c3cnn(C)c3)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461251234 1067809843 /nfs/dbraw/zinc/80/98/43/1067809843.db2.gz DWBUFXCYXUQWCO-HHHXNRCGSA-N 1 1 459.615 4.932 20 0 JJADMO COCCOc1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461256643 1067811606 /nfs/dbraw/zinc/81/16/06/1067811606.db2.gz METYRIPVISNEJU-DEOSSOPVSA-N 1 1 459.995 4.648 20 0 JJADMO COC[C@H](C)Oc1ccc(C[NH2+][C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461258052 1067811820 /nfs/dbraw/zinc/81/18/20/1067811820.db2.gz RTWXKEUIVCYMHP-AVRWGWEMSA-N 1 1 457.567 4.522 20 0 JJADMO Clc1ccc2c(c1Cl)OC[C@@H]2[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC001461265356 1067814065 /nfs/dbraw/zinc/81/40/65/1067814065.db2.gz OGWCIMKRNGHZSY-SFHVURJKSA-N 1 1 457.785 4.581 20 0 JJADMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC001461288694 1067818877 /nfs/dbraw/zinc/81/88/77/1067818877.db2.gz KARUFVOBOAVQSE-GBXCKJPGSA-N 1 1 451.611 4.836 20 0 JJADMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC001461288697 1067819018 /nfs/dbraw/zinc/81/90/18/1067819018.db2.gz KARUFVOBOAVQSE-YKSBVNFPSA-N 1 1 451.611 4.836 20 0 JJADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC001461325392 1067828484 /nfs/dbraw/zinc/82/84/84/1067828484.db2.gz KSAQFGYNFCKMBM-JUMFHWHPSA-N 1 1 464.650 4.951 20 0 JJADMO Cc1ccc(C[NH2+]Cc2cccc(F)c2I)c(OC[C@H]2CCCO2)c1 ZINC001461325295 1067828670 /nfs/dbraw/zinc/82/86/70/1067828670.db2.gz UMQAKFZOVXKFPC-QGZVFWFLSA-N 1 1 455.311 4.586 20 0 JJADMO Cc1ccc(C[NH2+]Cc2cccc(F)c2I)c(OC[C@@H]2CCCO2)c1 ZINC001461325293 1067828729 /nfs/dbraw/zinc/82/87/29/1067828729.db2.gz UMQAKFZOVXKFPC-KRWDZBQOSA-N 1 1 455.311 4.586 20 0 JJADMO CCC(CC)(COCc1ccccc1)C(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001461327301 1067829542 /nfs/dbraw/zinc/82/95/42/1067829542.db2.gz DUZPZKKMSIDFRY-CLJLJLNGSA-N 1 1 450.623 4.512 20 0 JJADMO CCOc1cc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)cc(Br)c1OCc1ccccc1 ZINC001461350298 1067836421 /nfs/dbraw/zinc/83/64/21/1067836421.db2.gz OZADIUMDHQNERG-LJQANCHMSA-N 1 1 456.384 4.797 20 0 JJADMO Cc1ccc(-c2nc(CNc3ccc(F)c(NC(=O)CC[NH+]4CCOCC4)c3)cs2)cc1 ZINC001461353271 1067836881 /nfs/dbraw/zinc/83/68/81/1067836881.db2.gz UNCXKMWCTPHZMF-UHFFFAOYSA-N 1 1 454.571 4.531 20 0 JJADMO CC(=O)N(c1nc(C[NH2+]CCOc2cccc(C(F)(F)F)n2)cs1)c1ccc(F)cc1 ZINC001461399748 1067846689 /nfs/dbraw/zinc/84/66/89/1067846689.db2.gz HYJMUGYGKJQOOF-UHFFFAOYSA-N 1 1 454.449 4.549 20 0 JJADMO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC001461411009 1067849136 /nfs/dbraw/zinc/84/91/36/1067849136.db2.gz WKHHZAXEADVFHB-LJQANCHMSA-N 1 1 454.290 4.785 20 0 JJADMO Cc1ccccc1[C@H]([C@@H](C)NCc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1)[NH+](C)C ZINC001461440239 1067857235 /nfs/dbraw/zinc/85/72/35/1067857235.db2.gz BJEDTTXQMAENFH-OTPAQWSUSA-N 1 1 455.643 4.927 20 0 JJADMO Cc1ccccc1[C@H]([C@H](C)NCc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1)[NH+](C)C ZINC001461440240 1067857387 /nfs/dbraw/zinc/85/73/87/1067857387.db2.gz BJEDTTXQMAENFH-WATLYSKOSA-N 1 1 455.643 4.927 20 0 JJADMO COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)c1cccc(C[N@@H+](C)Cc3ccccc3)c1)CCC2 ZINC001461447456 1067858729 /nfs/dbraw/zinc/85/87/29/1067858729.db2.gz YUZTVWIKWOIRNB-AREMUKBSSA-N 1 1 456.586 4.955 20 0 JJADMO COc1cc(C[NH2+]Cc2cc(F)c(Cl)cc2F)cc(I)c1OC ZINC001461479632 1067870443 /nfs/dbraw/zinc/87/04/43/1067870443.db2.gz JMZIJPTWJSRYAH-UHFFFAOYSA-N 1 1 453.654 4.530 20 0 JJADMO FC(F)Oc1ccc(Br)c(C[NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)c1 ZINC001461484593 1067872083 /nfs/dbraw/zinc/87/20/83/1067872083.db2.gz QKAIPOARMLQLRN-UHFFFAOYSA-N 1 1 457.281 4.945 20 0 JJADMO CS(=O)(=O)c1cc(C[NH2+]Cc2cccc(Cl)c2Br)cc(C(F)(F)F)c1 ZINC001461489390 1067873851 /nfs/dbraw/zinc/87/38/51/1067873851.db2.gz XPZWCKQZQKPQKI-UHFFFAOYSA-N 1 1 456.711 4.815 20 0 JJADMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc21 ZINC001461532227 1067882710 /nfs/dbraw/zinc/88/27/10/1067882710.db2.gz XSTWNBZWTOWIRY-QGZVFWFLSA-N 1 1 453.384 4.662 20 0 JJADMO CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC001546125095 1067883456 /nfs/dbraw/zinc/88/34/56/1067883456.db2.gz VCNNESXRZBYBBK-GJZUVCINSA-N 1 1 455.687 4.593 20 0 JJADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC001461588139 1067894651 /nfs/dbraw/zinc/89/46/51/1067894651.db2.gz ZMCCLYHKPRDWLH-ZJSXRUAMSA-N 1 1 458.528 4.518 20 0 JJADMO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC001461588139 1067894668 /nfs/dbraw/zinc/89/46/68/1067894668.db2.gz ZMCCLYHKPRDWLH-ZJSXRUAMSA-N 1 1 458.528 4.518 20 0 JJADMO CC(C)[C@@H]1CN(C(=O)[C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001461597258 1067897616 /nfs/dbraw/zinc/89/76/16/1067897616.db2.gz IXLXOAHFVIDEBN-VXNXHJTFSA-N 1 1 457.659 4.829 20 0 JJADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ncc(Cc4c(F)cccc4F)s3)cc2)C[C@@H](C)O1 ZINC001461610580 1067901239 /nfs/dbraw/zinc/90/12/39/1067901239.db2.gz VUJWRZIKUITTMX-HZPDHXFCSA-N 1 1 457.546 4.874 20 0 JJADMO COc1ccc(N2C[C@@H]([NH2+]Cc3c(Cl)n(-c4ccccc4)nc3C(C)(C)C)CC2=O)cc1 ZINC001461618989 1067902933 /nfs/dbraw/zinc/90/29/33/1067902933.db2.gz PPLOYSCQZRSUFW-KRWDZBQOSA-N 1 1 452.986 4.727 20 0 JJADMO COc1ncc(Br)cc1C[NH2+]Cc1cccc(Br)c1OC(F)F ZINC001461645531 1067908564 /nfs/dbraw/zinc/90/85/64/1067908564.db2.gz OEKKFKVYPDDKEB-UHFFFAOYSA-N 1 1 452.093 4.506 20 0 JJADMO Cn1ccnc1C[C@@H]([NH2+]Cc1cc(Cl)ccc1I)c1ccccc1 ZINC001461656311 1067911342 /nfs/dbraw/zinc/91/13/42/1067911342.db2.gz LSAZFXULMKTIMZ-GOSISDBHSA-N 1 1 451.739 4.752 20 0 JJADMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)cc1 ZINC001461675366 1067915894 /nfs/dbraw/zinc/91/58/94/1067915894.db2.gz AHNTYFGJRGPHPW-OAQYLSRUSA-N 1 1 452.986 4.662 20 0 JJADMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)cc1 ZINC001461675366 1067915898 /nfs/dbraw/zinc/91/58/98/1067915898.db2.gz AHNTYFGJRGPHPW-OAQYLSRUSA-N 1 1 452.986 4.662 20 0 JJADMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cnn(-c3ccccc3Cl)c2C(C)C)cc1 ZINC001461678182 1067916398 /nfs/dbraw/zinc/91/63/98/1067916398.db2.gz OARCRSKYNBHUKI-IBGZPJMESA-N 1 1 452.986 4.662 20 0 JJADMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cnn(-c3ccccc3Cl)c2C(C)C)cc1 ZINC001461678182 1067916410 /nfs/dbraw/zinc/91/64/10/1067916410.db2.gz OARCRSKYNBHUKI-IBGZPJMESA-N 1 1 452.986 4.662 20 0 JJADMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cnn(-c3ccccc3Cl)c2C(C)C)cc1 ZINC001461678184 1067916510 /nfs/dbraw/zinc/91/65/10/1067916510.db2.gz OARCRSKYNBHUKI-LJQANCHMSA-N 1 1 452.986 4.662 20 0 JJADMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cnn(-c3ccccc3Cl)c2C(C)C)cc1 ZINC001461678184 1067916520 /nfs/dbraw/zinc/91/65/20/1067916520.db2.gz OARCRSKYNBHUKI-LJQANCHMSA-N 1 1 452.986 4.662 20 0 JJADMO Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001461716845 1067924105 /nfs/dbraw/zinc/92/41/05/1067924105.db2.gz LZOHYAQTLBRPOM-HXUWFJFHSA-N 1 1 457.405 4.729 20 0 JJADMO COc1ccc(OC)c(C[NH2+][C@@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)c1 ZINC001461809564 1067940484 /nfs/dbraw/zinc/94/04/84/1067940484.db2.gz GRZLHMRSBJGQJP-RLWLMLJZSA-N 1 1 454.567 4.697 20 0 JJADMO CC(=O)Nc1ccc(S[C@@H](C)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC001461856383 1067948540 /nfs/dbraw/zinc/94/85/40/1067948540.db2.gz OAYVHXFNACFGHJ-SIKLNZKXSA-N 1 1 451.636 4.544 20 0 JJADMO COC(=O)c1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1Br ZINC001461862077 1067949341 /nfs/dbraw/zinc/94/93/41/1067949341.db2.gz MYBXGDWYZADHOC-OFNKIYASSA-N 1 1 457.412 4.722 20 0 JJADMO C[N@@H+](Cc1ccnc2c(Br)cccc12)[C@@H](CO)c1cccc(Br)c1 ZINC001461874275 1067952487 /nfs/dbraw/zinc/95/24/87/1067952487.db2.gz QGPRXHAMSUWKMN-SFHVURJKSA-N 1 1 450.174 4.925 20 0 JJADMO Cc1ccc(NC(=O)C2CC[NH+](Cc3cc(OC(F)F)ccc3Br)CC2)nc1 ZINC001461884289 1067954489 /nfs/dbraw/zinc/95/44/89/1067954489.db2.gz AAEAEJNFUIMKIW-UHFFFAOYSA-N 1 1 454.315 4.605 20 0 JJADMO Cc1nn(-c2ccccc2Br)cc1CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001461897589 1067957146 /nfs/dbraw/zinc/95/71/46/1067957146.db2.gz LTVDEADULNAAPE-JXMROGBWSA-N 1 1 451.412 4.774 20 0 JJADMO CC(C)(C[NH+]1CCN(C(=O)c2c(F)cccc2Cl)CC1)c1ccc(Br)cc1 ZINC001461901106 1067957912 /nfs/dbraw/zinc/95/79/12/1067957912.db2.gz RVTNYJRDYQUEFZ-UHFFFAOYSA-N 1 1 453.783 4.977 20 0 JJADMO COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC001461902903 1067958535 /nfs/dbraw/zinc/95/85/35/1067958535.db2.gz XZJCCMCLTCAVRS-XOBRGWDASA-N 1 1 451.350 4.537 20 0 JJADMO COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC001461902903 1067958541 /nfs/dbraw/zinc/95/85/41/1067958541.db2.gz XZJCCMCLTCAVRS-XOBRGWDASA-N 1 1 451.350 4.537 20 0 JJADMO C[C@@H](c1ccc2ccccc2c1)[N@@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CC1 ZINC001461907576 1067959267 /nfs/dbraw/zinc/95/92/67/1067959267.db2.gz OYVCRHCLVYXCEI-HNNXBMFYSA-N 1 1 459.409 4.975 20 0 JJADMO Cn1cc(C[C@H]2CC[N@H+](Cc3c(Br)cc(F)c(F)c3N3CCCCC3)C2)cn1 ZINC001461940858 1067964919 /nfs/dbraw/zinc/96/49/19/1067964919.db2.gz OYVQVPRGPYYGCO-OAHLLOKOSA-N 1 1 453.375 4.516 20 0 JJADMO Cn1cc(C[C@H]2CC[N@@H+](Cc3c(Br)cc(F)c(F)c3N3CCCCC3)C2)cn1 ZINC001461940858 1067964925 /nfs/dbraw/zinc/96/49/25/1067964925.db2.gz OYVQVPRGPYYGCO-OAHLLOKOSA-N 1 1 453.375 4.516 20 0 JJADMO CC(C)(C)OC(=O)c1ccc(C[NH+]2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC001461940542 1067965246 /nfs/dbraw/zinc/96/52/46/1067965246.db2.gz HSHOBHWOYCMVON-UHFFFAOYSA-N 1 1 450.501 4.858 20 0 JJADMO CC(C)(C)OC(=O)c1ccc(CN2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC001461940542 1067965256 /nfs/dbraw/zinc/96/52/56/1067965256.db2.gz HSHOBHWOYCMVON-UHFFFAOYSA-N 1 1 450.501 4.858 20 0 JJADMO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001461943023 1067965551 /nfs/dbraw/zinc/96/55/51/1067965551.db2.gz QYLCCFVSKKDTJQ-SFHVURJKSA-N 1 1 458.500 4.926 20 0 JJADMO CCCCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)C1 ZINC001461956643 1067968883 /nfs/dbraw/zinc/96/88/83/1067968883.db2.gz GUGNQHHIYJCXJU-QHCPKHFHSA-N 1 1 457.659 4.888 20 0 JJADMO CCOC[C@@H]1CCC[N@H+](Cc2nc(N(C)C)n(-c3ccc(Br)cc3)c2Cl)C1 ZINC001461959483 1067969394 /nfs/dbraw/zinc/96/93/94/1067969394.db2.gz HVDWQWDUYUCPSN-OAHLLOKOSA-N 1 1 455.828 4.603 20 0 JJADMO CCOC[C@@H]1CCC[N@@H+](Cc2nc(N(C)C)n(-c3ccc(Br)cc3)c2Cl)C1 ZINC001461959483 1067969401 /nfs/dbraw/zinc/96/94/01/1067969401.db2.gz HVDWQWDUYUCPSN-OAHLLOKOSA-N 1 1 455.828 4.603 20 0 JJADMO C[N@H+](Cc1ccccc1-c1ccccc1)C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC001461971061 1067972005 /nfs/dbraw/zinc/97/20/05/1067972005.db2.gz NUGWQPWJXBULGR-OAQYLSRUSA-N 1 1 451.611 4.549 20 0 JJADMO CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+](C)[C@@H](C)c1sc(C)nc1C ZINC001461977715 1067973471 /nfs/dbraw/zinc/97/34/71/1067973471.db2.gz VHQGIHXANXFWMI-AWEZNQCLSA-N 1 1 455.418 4.966 20 0 JJADMO CCOC(=O)COc1c(Br)cc(C)cc1C[N@@H+](C)[C@@H](C)c1sc(C)nc1C ZINC001461977715 1067973478 /nfs/dbraw/zinc/97/34/78/1067973478.db2.gz VHQGIHXANXFWMI-AWEZNQCLSA-N 1 1 455.418 4.966 20 0 JJADMO C[C@H]1C[C@@H](N(C)Cc2cccc(F)c2I)CC[N@H+]1Cc1ccccc1 ZINC001461989068 1067976066 /nfs/dbraw/zinc/97/60/66/1067976066.db2.gz ZALZWDNGMCFPHR-LPHOPBHVSA-N 1 1 452.355 4.915 20 0 JJADMO CC(C)(C)OC(=O)Nc1ncc(C[NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)s1 ZINC001461996825 1067977120 /nfs/dbraw/zinc/97/71/20/1067977120.db2.gz MSFQVSYOZQHPJR-HNNXBMFYSA-N 1 1 457.383 4.692 20 0 JJADMO C[C@@H]1CCC[C@@H]([N@@H+](Cc2cc(C(=O)OC(C)(C)C)nn2C)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC001462033316 1067984882 /nfs/dbraw/zinc/98/48/82/1067984882.db2.gz MEVCQDZGHRXABV-JBYIUTFZSA-N 1 1 455.599 4.931 20 0 JJADMO COc1ccc(C)cc1C[NH+]1CCN(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC001462049230 1067989954 /nfs/dbraw/zinc/98/99/54/1067989954.db2.gz VNOYGKLOBJHJKG-UHFFFAOYSA-N 1 1 458.528 4.585 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC001462059970 1067993508 /nfs/dbraw/zinc/99/35/08/1067993508.db2.gz JTJMJJSAAPJAHR-HUUCEWRRSA-N 1 1 462.488 4.925 20 0 JJADMO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(Br)cc(F)c(F)c2N2CCCCC2)[C@@]12CCCO2 ZINC001462061527 1067993892 /nfs/dbraw/zinc/99/38/92/1067993892.db2.gz GWPAUJBVONKLKA-OPYAIIAOSA-N 1 1 459.375 4.534 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)CCOc2ccc(C)cc2C)cc1 ZINC001462108032 1068005280 /nfs/dbraw/zinc/00/52/80/1068005280.db2.gz LXCMKDHJWHDDKI-RRPNLBNLSA-N 1 1 458.602 4.865 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)c2cccc(OC(C)(C)C)n2)cc1 ZINC001462109080 1068005728 /nfs/dbraw/zinc/00/57/28/1068005728.db2.gz NYRSTAFBAYWHEL-UKILVPOCSA-N 1 1 459.590 4.666 20 0 JJADMO CCc1nc(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)nn1-c1ccccc1Cl ZINC001462109813 1068005968 /nfs/dbraw/zinc/00/59/68/1068005968.db2.gz BZXFZVHDXPEPEG-FQEVSTJZSA-N 1 1 452.002 4.658 20 0 JJADMO Cc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)nn1-c1ccc(Cl)cc1Cl ZINC001462118872 1068008558 /nfs/dbraw/zinc/00/85/58/1068008558.db2.gz IWESXXLJVKKLJE-QFBILLFUSA-N 1 1 457.405 4.985 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 ZINC001462124837 1068010595 /nfs/dbraw/zinc/01/05/95/1068010595.db2.gz PTGFJCRLJMACTO-WIYYLYMNSA-N 1 1 452.986 4.597 20 0 JJADMO CC(C)(C)OC(=O)Nc1ccc(C[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)nn1 ZINC001462132904 1068012668 /nfs/dbraw/zinc/01/26/68/1068012668.db2.gz KCILRTLMKCRCLD-SFHVURJKSA-N 1 1 451.340 4.966 20 0 JJADMO CCOC(=O)Cn1cc(C[N@H+](CC)Cc2ccccc2Br)c(-c2ccccc2)n1 ZINC001462142189 1068014057 /nfs/dbraw/zinc/01/40/57/1068014057.db2.gz AMGYZOBZIYTZCW-UHFFFAOYSA-N 1 1 456.384 4.898 20 0 JJADMO CCOC(=O)Cn1cc(C[N@@H+](CC)Cc2ccccc2Br)c(-c2ccccc2)n1 ZINC001462142189 1068014070 /nfs/dbraw/zinc/01/40/70/1068014070.db2.gz AMGYZOBZIYTZCW-UHFFFAOYSA-N 1 1 456.384 4.898 20 0 JJADMO CN(C(=O)[C@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2)C1)c1ccccc1 ZINC001462165725 1068020045 /nfs/dbraw/zinc/02/00/45/1068020045.db2.gz ZQNYMIGCUVHTEG-HNNXBMFYSA-N 1 1 452.190 4.697 20 0 JJADMO CN(C(=O)[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2)C1)c1ccccc1 ZINC001462165725 1068020055 /nfs/dbraw/zinc/02/00/55/1068020055.db2.gz ZQNYMIGCUVHTEG-HNNXBMFYSA-N 1 1 452.190 4.697 20 0 JJADMO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1 ZINC001462178871 1068022968 /nfs/dbraw/zinc/02/29/68/1068022968.db2.gz GAYUELNPAITMEE-WOJBJXKFSA-N 1 1 457.590 4.688 20 0 JJADMO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1Cc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1 ZINC001462178871 1068022983 /nfs/dbraw/zinc/02/29/83/1068022983.db2.gz GAYUELNPAITMEE-WOJBJXKFSA-N 1 1 457.590 4.688 20 0 JJADMO C[N@H+](Cc1ccc(OC(F)(F)F)c(Br)c1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC001462188935 1068025338 /nfs/dbraw/zinc/02/53/38/1068025338.db2.gz DMZCVKOMWQQXPL-QGZVFWFLSA-N 1 1 457.290 4.581 20 0 JJADMO C[N@@H+](Cc1ccc(OC(F)(F)F)c(Br)c1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC001462188935 1068025347 /nfs/dbraw/zinc/02/53/47/1068025347.db2.gz DMZCVKOMWQQXPL-QGZVFWFLSA-N 1 1 457.290 4.581 20 0 JJADMO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[N@@H+](CCn1ccnc1)Cc1cccc(Cl)c1 ZINC001462198285 1068027399 /nfs/dbraw/zinc/02/73/99/1068027399.db2.gz LAPCSZFQYKECPE-IBGZPJMESA-N 1 1 454.949 4.683 20 0 JJADMO COc1ccc(C[N@@H+](Cc2c(C)nn(CC(=O)OC(C)C)c2C)C2CCCCC2)cc1OC ZINC001462212001 1068029736 /nfs/dbraw/zinc/02/97/36/1068029736.db2.gz YYUJXLCJAPRKJK-UHFFFAOYSA-N 1 1 457.615 4.804 20 0 JJADMO CC(C)(C)OC(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccc(Sc4ccccc4)cc3)C2)CC1 ZINC001462225309 1068032605 /nfs/dbraw/zinc/03/26/05/1068032605.db2.gz UBAAXNRMHQBQEC-JOCHJYFZSA-N 1 1 453.652 4.965 20 0 JJADMO CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCC[N@@H+](C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001462249096 1068037945 /nfs/dbraw/zinc/03/79/45/1068037945.db2.gz RKNVPKWJCVGXPK-ACRUOGEOSA-N 1 1 451.652 4.603 20 0 JJADMO CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC001462265537 1068041154 /nfs/dbraw/zinc/04/11/54/1068041154.db2.gz FGIZRPZFTCMBQE-UHFFFAOYSA-N 1 1 453.583 4.874 20 0 JJADMO CC(C)n1cc(C2=CCC[N@@H+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)CC2)nn1 ZINC001462275254 1068042103 /nfs/dbraw/zinc/04/21/03/1068042103.db2.gz QNIWHLWVBJVOKX-UHFFFAOYSA-N 1 1 451.615 4.832 20 0 JJADMO COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c(OCc2cccnc2)c1 ZINC001462294331 1068045619 /nfs/dbraw/zinc/04/56/19/1068045619.db2.gz KJIMDJWBRHRFLS-NFBKMPQASA-N 1 1 453.583 4.501 20 0 JJADMO CC(C)(C)OC(=O)NCC1(C[N@@H+]2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)CCC1 ZINC001462339829 1068054780 /nfs/dbraw/zinc/05/47/80/1068054780.db2.gz SJHBDGSWXJUIDC-LEWJYISDSA-N 1 1 477.621 4.813 20 0 JJADMO COc1ccc(N(C(C)=O)c2nc(C[NH2+]CC[C@H]3CSc4ccccc4O3)cs2)cc1 ZINC001462371058 1068061411 /nfs/dbraw/zinc/06/14/11/1068061411.db2.gz YTEMQVUZJDHRNT-FQEVSTJZSA-N 1 1 455.605 4.869 20 0 JJADMO COCC[N@@H+](Cc1cnc2c(F)cccc2c1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001462396053 1068065165 /nfs/dbraw/zinc/06/51/65/1068065165.db2.gz PLEHVUGTFXNXBN-UHFFFAOYSA-N 1 1 451.542 4.624 20 0 JJADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccccc3OCC(F)F)C2)C1 ZINC001462409919 1068068264 /nfs/dbraw/zinc/06/82/64/1068068264.db2.gz XQKFIKCTGFJKRS-QKNQBKEWSA-N 1 1 454.558 4.615 20 0 JJADMO C[C@@H]1CN(c2ccccc2C[N@H+]2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)CCO1 ZINC001462424751 1068071853 /nfs/dbraw/zinc/07/18/53/1068071853.db2.gz GLTUSPSQGZAGAP-FYYLOGMGSA-N 1 1 457.659 4.771 20 0 JJADMO COC(=O)c1ccc(COc2ccccc2C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)cc1 ZINC001462437000 1068073982 /nfs/dbraw/zinc/07/39/82/1068073982.db2.gz ITDZTXNCUUSHNX-CVDCTZTESA-N 1 1 453.579 4.852 20 0 JJADMO Cc1cc(OCCCC(=O)N2CC[C@]3(C2)C[N@@H+](Cc2ccccc2)C[C@H](C)O3)ccc1Cl ZINC001462443750 1068075949 /nfs/dbraw/zinc/07/59/49/1068075949.db2.gz OHDUAMWPEYIKIA-HFZDXXHNSA-N 1 1 457.014 4.699 20 0 JJADMO Cc1cc(OCCCC(=O)N2CC[C@]3(C2)C[N@H+](Cc2ccccc2)C[C@H](C)O3)ccc1Cl ZINC001462443750 1068075962 /nfs/dbraw/zinc/07/59/62/1068075962.db2.gz OHDUAMWPEYIKIA-HFZDXXHNSA-N 1 1 457.014 4.699 20 0 JJADMO CN(Cc1cc(Br)cc(C(F)(F)F)c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001462477625 1068081956 /nfs/dbraw/zinc/08/19/56/1068081956.db2.gz HXCJLRYRGJXOSM-HXUWFJFHSA-N 1 1 457.334 4.537 20 0 JJADMO C[N@H+](Cc1cc(Br)cc(C(F)(F)F)c1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001462477625 1068081972 /nfs/dbraw/zinc/08/19/72/1068081972.db2.gz HXCJLRYRGJXOSM-HXUWFJFHSA-N 1 1 457.334 4.537 20 0 JJADMO C[N@@H+](Cc1cc(Br)cc(C(F)(F)F)c1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001462477625 1068081982 /nfs/dbraw/zinc/08/19/82/1068081982.db2.gz HXCJLRYRGJXOSM-HXUWFJFHSA-N 1 1 457.334 4.537 20 0 JJADMO COC(=O)[C@@H]1C[N@H+](Cc2ccc(Br)cc2C(F)(F)F)C[C@H]1c1ccc(O)cc1 ZINC001462484906 1068083418 /nfs/dbraw/zinc/08/34/18/1068083418.db2.gz XJJOIQCQDMWJGM-DLBZAZTESA-N 1 1 458.274 4.562 20 0 JJADMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(Br)cc2C(F)(F)F)C[C@H]1c1ccc(O)cc1 ZINC001462484906 1068083425 /nfs/dbraw/zinc/08/34/25/1068083425.db2.gz XJJOIQCQDMWJGM-DLBZAZTESA-N 1 1 458.274 4.562 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](CCCc3ccc4c(c3)CCO4)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001462521745 1068090680 /nfs/dbraw/zinc/09/06/80/1068090680.db2.gz ZAGSFJZGAVQFBF-BJKOFHAPSA-N 1 1 452.595 4.555 20 0 JJADMO CN(Cc1ccc(F)cc1I)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001462543853 1068095251 /nfs/dbraw/zinc/09/52/51/1068095251.db2.gz CWSMPTHOQXLQKT-FQEVSTJZSA-N 1 1 452.355 4.917 20 0 JJADMO CN(Cc1cn(-c2ccccc2Br)nn1)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001462544122 1068095740 /nfs/dbraw/zinc/09/57/40/1068095740.db2.gz GGMASPBRGOSUNR-NRFANRHFSA-N 1 1 454.416 4.516 20 0 JJADMO C[C@@H](CCc1cncc2ccccc21)[NH2+]CCCCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC001462562584 1068098395 /nfs/dbraw/zinc/09/83/95/1068098395.db2.gz GXABDIDUCGNVHE-QFIPXVFZSA-N 1 1 454.659 4.869 20 0 JJADMO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)c1 ZINC001462570493 1068100676 /nfs/dbraw/zinc/10/06/76/1068100676.db2.gz LMPZSDRLZPYSBU-LSUHJGNXSA-N 1 1 460.540 4.779 20 0 JJADMO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001462575197 1068101840 /nfs/dbraw/zinc/10/18/40/1068101840.db2.gz AEBZXPDOKFVNSM-SJLPKXTDSA-N 1 1 477.447 4.926 20 0 JJADMO C[C@@H]1C[N@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001462631143 1068118140 /nfs/dbraw/zinc/11/81/40/1068118140.db2.gz UFOJBAKTOIISLX-HUUCEWRRSA-N 1 1 454.402 4.557 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001462631143 1068118146 /nfs/dbraw/zinc/11/81/46/1068118146.db2.gz UFOJBAKTOIISLX-HUUCEWRRSA-N 1 1 454.402 4.557 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2c(Cl)cccc2Br)CCOCC1 ZINC001462642662 1068122465 /nfs/dbraw/zinc/12/24/65/1068122465.db2.gz FMBZIKRRJFHMSA-UHFFFAOYSA-N 1 1 451.792 4.514 20 0 JJADMO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC001462750022 1068154372 /nfs/dbraw/zinc/15/43/72/1068154372.db2.gz RTQLOAHLEMOTKC-UXHICEINSA-N 1 1 451.419 4.882 20 0 JJADMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC001462750022 1068154376 /nfs/dbraw/zinc/15/43/76/1068154376.db2.gz RTQLOAHLEMOTKC-UXHICEINSA-N 1 1 451.419 4.882 20 0 JJADMO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NCCCCc2ccccc2)cc1 ZINC001462767930 1068160606 /nfs/dbraw/zinc/16/06/06/1068160606.db2.gz UWQVFCTWONBCHA-WUFINQPMSA-N 1 1 462.659 4.905 20 0 JJADMO CC(C)(C)OC(=O)NCc1cccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c1 ZINC001462769239 1068161256 /nfs/dbraw/zinc/16/12/56/1068161256.db2.gz IHXMJGSNPOMEOQ-NHCUHLMSSA-N 1 1 477.527 4.504 20 0 JJADMO CC(C)(C)OC(=O)NCc1cccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c1 ZINC001462769239 1068161259 /nfs/dbraw/zinc/16/12/59/1068161259.db2.gz IHXMJGSNPOMEOQ-NHCUHLMSSA-N 1 1 477.527 4.504 20 0 JJADMO CC(C)Oc1cc(Br)ccc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001462828268 1068180179 /nfs/dbraw/zinc/18/01/79/1068180179.db2.gz BZTLTFCBAFCTQO-UXHICEINSA-N 1 1 457.412 4.830 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNS(=O)(=O)c3ccc(F)cc3C(F)(F)F)cc2)C1 ZINC001462837377 1068185150 /nfs/dbraw/zinc/18/51/50/1068185150.db2.gz NXSSFZDPTHDBLE-IYBDPMFKSA-N 1 1 458.521 4.801 20 0 JJADMO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001462847240 1068188605 /nfs/dbraw/zinc/18/86/05/1068188605.db2.gz TWWDDLXMDVUEBD-WLEBGAPTSA-N 1 1 491.676 4.696 20 0 JJADMO C[C@@H]1C[N@H+](Cc2cccc(CNS(=O)(=O)Cc3ccc(C4CCCCC4)cc3)c2)CCO1 ZINC001462886500 1068203211 /nfs/dbraw/zinc/20/32/11/1068203211.db2.gz JZLYXKHZVNDQSM-OAQYLSRUSA-N 1 1 456.652 4.575 20 0 JJADMO C[C@@H]1C[N@@H+](Cc2cccc(CNS(=O)(=O)Cc3ccc(C4CCCCC4)cc3)c2)CCO1 ZINC001462886500 1068203219 /nfs/dbraw/zinc/20/32/19/1068203219.db2.gz JZLYXKHZVNDQSM-OAQYLSRUSA-N 1 1 456.652 4.575 20 0 JJADMO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC001462996869 1068243806 /nfs/dbraw/zinc/24/38/06/1068243806.db2.gz GDLZMDUQNZOUBY-NRFANRHFSA-N 1 1 458.400 4.504 20 0 JJADMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC001462996869 1068243813 /nfs/dbraw/zinc/24/38/13/1068243813.db2.gz GDLZMDUQNZOUBY-NRFANRHFSA-N 1 1 458.400 4.504 20 0 JJADMO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC001462996872 1068243895 /nfs/dbraw/zinc/24/38/95/1068243895.db2.gz GDLZMDUQNZOUBY-OAQYLSRUSA-N 1 1 458.400 4.504 20 0 JJADMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC001462996872 1068243904 /nfs/dbraw/zinc/24/39/04/1068243904.db2.gz GDLZMDUQNZOUBY-OAQYLSRUSA-N 1 1 458.400 4.504 20 0 JJADMO C[C@@H](NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1cc(Cl)cc2c1OCC2 ZINC001463003844 1068246348 /nfs/dbraw/zinc/24/63/48/1068246348.db2.gz VRSVOLLEQRQZCG-QRQCRPRQSA-N 1 1 452.904 4.907 20 0 JJADMO Cc1ccc(CN(C)S(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)s1 ZINC001463009273 1068249327 /nfs/dbraw/zinc/24/93/27/1068249327.db2.gz ZGDMDKHDSQOLGR-BJKOFHAPSA-N 1 1 458.624 4.625 20 0 JJADMO O=S(=O)(NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC001463031643 1068257520 /nfs/dbraw/zinc/25/75/20/1068257520.db2.gz BLRNJXRJQSRYNS-LJQANCHMSA-N 1 1 454.061 4.787 20 0 JJADMO C[C@@]1(NC(=O)c2scnc2Br)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001463145815 1068302298 /nfs/dbraw/zinc/30/22/98/1068302298.db2.gz DYJMMTBNQBZFLB-PGRDOPGGSA-N 1 1 456.409 4.694 20 0 JJADMO CCCC(CCC)N(CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)S(=O)(=O)c1cc(F)c(OC)c(F)c1 ZINC001463150001 1068303812 /nfs/dbraw/zinc/30/38/12/1068303812.db2.gz SUXVKXSCJUAGPD-JLYLLQBASA-N 1 1 458.615 4.806 20 0 JJADMO COc1ccc(/C=C/C(=O)N[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1OC ZINC001463150888 1068304177 /nfs/dbraw/zinc/30/41/77/1068304177.db2.gz RXEQWPADWOQTCP-FDVZVMDSSA-N 1 1 456.586 4.892 20 0 JJADMO O=S(=O)(c1ccc(F)c(C(F)F)c1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC001463182456 1068312229 /nfs/dbraw/zinc/31/22/29/1068312229.db2.gz ADLFTDNGWADVGM-UHFFFAOYSA-N 1 1 452.542 4.973 20 0 JJADMO O=S(=O)(c1ccc(F)c(C(F)F)c1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC001463182456 1068312247 /nfs/dbraw/zinc/31/22/47/1068312247.db2.gz ADLFTDNGWADVGM-UHFFFAOYSA-N 1 1 452.542 4.973 20 0 JJADMO Cc1ccc(Cl)c(S(=O)(=O)NCc2ccccc2OCCC[N@H+](C)C2CCCC2)c1 ZINC001463220585 1068324797 /nfs/dbraw/zinc/32/47/97/1068324797.db2.gz SAWOCTIXGKVSNJ-UHFFFAOYSA-N 1 1 451.032 4.770 20 0 JJADMO Cc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1C(F)(F)F ZINC001463224569 1068326455 /nfs/dbraw/zinc/32/64/55/1068326455.db2.gz JPWDDHJNJQJUPV-QFIPXVFZSA-N 1 1 452.542 4.691 20 0 JJADMO Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1C(F)(F)F ZINC001463276585 1068341630 /nfs/dbraw/zinc/34/16/30/1068341630.db2.gz AGFXBMJSQGSNJF-DENIHFKCSA-N 1 1 452.542 4.689 20 0 JJADMO CC(C)(C)C(=O)c1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001463277051 1068341802 /nfs/dbraw/zinc/34/18/02/1068341802.db2.gz DKGQKMMJAWPFMH-UPVQGACJSA-N 1 1 454.636 4.591 20 0 JJADMO Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001463341998 1068363073 /nfs/dbraw/zinc/36/30/73/1068363073.db2.gz CWBQBQLWGULOCS-HSALFYBXSA-N 1 1 470.639 4.829 20 0 JJADMO Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001463341996 1068363147 /nfs/dbraw/zinc/36/31/47/1068363147.db2.gz CWBQBQLWGULOCS-AABGKKOBSA-N 1 1 470.639 4.829 20 0 JJADMO CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001463345219 1068365078 /nfs/dbraw/zinc/36/50/78/1068365078.db2.gz VJJQMQKUHYJYTM-UWSZBUKDSA-N 1 1 451.636 4.543 20 0 JJADMO CC[N@@H+](CCC1CCN(S(=O)(=O)c2sc(Br)cc2C)CC1)CC(C)C ZINC001463391166 1068381738 /nfs/dbraw/zinc/38/17/38/1068381738.db2.gz FLPYUIVJPMKDFB-UHFFFAOYSA-N 1 1 451.496 4.588 20 0 JJADMO CCC[C@H]1CN(S(=O)(=O)c2nc(C)sc2-c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001463409134 1068387547 /nfs/dbraw/zinc/38/75/47/1068387547.db2.gz GRHQTZHMJBVTME-QFIPXVFZSA-N 1 1 455.649 4.794 20 0 JJADMO CCC[C@H]1CN(S(=O)(=O)c2nc(C)sc2-c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001463409134 1068387561 /nfs/dbraw/zinc/38/75/61/1068387561.db2.gz GRHQTZHMJBVTME-QFIPXVFZSA-N 1 1 455.649 4.794 20 0 JJADMO Cc1ccc(Cl)c(S(=O)(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1Cl ZINC001463459961 1068406945 /nfs/dbraw/zinc/40/69/45/1068406945.db2.gz PUBWUTVSDRZNKI-UHFFFAOYSA-N 1 1 453.435 4.979 20 0 JJADMO O=C(N[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1cc(OCc2ccccc2)ccn1 ZINC001463522932 1068427366 /nfs/dbraw/zinc/42/73/66/1068427366.db2.gz BQBQQCCDFRXNOS-DEOSSOPVSA-N 1 1 455.480 4.597 20 0 JJADMO O=C(N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1cc(OCc2ccccc2)ccn1 ZINC001463522932 1068427372 /nfs/dbraw/zinc/42/73/72/1068427372.db2.gz BQBQQCCDFRXNOS-DEOSSOPVSA-N 1 1 455.480 4.597 20 0 JJADMO COc1cc(C(C)C)c(S(=O)(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cc1C ZINC001463564506 1068445855 /nfs/dbraw/zinc/44/58/55/1068445855.db2.gz NELVPYCGIHIVTB-LJQANCHMSA-N 1 1 458.546 4.727 20 0 JJADMO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001463567497 1068448195 /nfs/dbraw/zinc/44/81/95/1068448195.db2.gz BOBXKGWGHKBUBB-KRWDZBQOSA-N 1 1 455.329 4.735 20 0 JJADMO CSc1ccc(S(=O)(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cc1Cl ZINC001463569908 1068449742 /nfs/dbraw/zinc/44/97/42/1068449742.db2.gz IAFMWHQZZVKNBS-INIZCTEOSA-N 1 1 452.951 4.662 20 0 JJADMO COc1ccc([C@@H](CNC(=O)c2ccc(C(=O)c3cccc(O)c3)cc2)[NH+]2CCCCC2)cc1 ZINC001463656409 1068484351 /nfs/dbraw/zinc/48/43/51/1068484351.db2.gz CSYLAWKWJTXUCW-AREMUKBSSA-N 1 1 458.558 4.589 20 0 JJADMO CCC[N@@H+](C)[C@H](CNS(=O)(=O)c1ccc(C)c(Br)c1)c1ccc(Cl)cc1 ZINC001463678412 1068491046 /nfs/dbraw/zinc/49/10/46/1068491046.db2.gz XOZOZIRZPYUBGB-LJQANCHMSA-N 1 1 459.837 4.772 20 0 JJADMO COc1c(C)cc(S(=O)(=O)N2CC[N@@H+](CCCc3ccccc3)C[C@@H]2CC(C)C)cc1C ZINC001463755386 1068514369 /nfs/dbraw/zinc/51/43/69/1068514369.db2.gz MVXHNOJTUGLBSJ-DEOSSOPVSA-N 1 1 458.668 4.666 20 0 JJADMO O=S(=O)(CCC1CCCCC1)N(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001463758620 1068515018 /nfs/dbraw/zinc/51/50/18/1068515018.db2.gz JASGKJGTYNRSQA-SANMLTNESA-N 1 1 455.668 4.848 20 0 JJADMO CCC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)c2C1 ZINC001463773227 1068520717 /nfs/dbraw/zinc/52/07/17/1068520717.db2.gz BCEBQEQJUUSGJT-RTWAWAEBSA-N 1 1 451.655 4.863 20 0 JJADMO CCCOc1ccc(C(=O)NN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(OC)c1 ZINC001463800451 1068529022 /nfs/dbraw/zinc/52/90/22/1068529022.db2.gz MFNGXVDEJYOOPX-UHFFFAOYSA-N 1 1 459.590 4.536 20 0 JJADMO CCOc1ccc([C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)c2c[nH]c3ccccc32)cc1OC ZINC001463811566 1068533580 /nfs/dbraw/zinc/53/35/80/1068533580.db2.gz QHHOALROPGSKSB-OAQYLSRUSA-N 1 1 451.611 4.801 20 0 JJADMO COc1cc(Cl)c(S(=O)(=O)NC[C@@H](c2ccc(CC(C)C)cc2)[NH+](C)C)cc1Cl ZINC001463825475 1068537102 /nfs/dbraw/zinc/53/71/02/1068537102.db2.gz SUOUTNQIAZQJHA-IBGZPJMESA-N 1 1 459.439 4.782 20 0 JJADMO O=Cc1ccc(OCc2occc2C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC001463825653 1068537621 /nfs/dbraw/zinc/53/76/21/1068537621.db2.gz JBJZSKYSANWWPB-QHCPKHFHSA-N 1 1 452.938 4.891 20 0 JJADMO COc1ccccc1C(=O)Nc1ccc(OC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1 ZINC001463842439 1068544680 /nfs/dbraw/zinc/54/46/80/1068544680.db2.gz MEDGFOZMLFMCHF-JOCHJYFZSA-N 1 1 458.558 4.808 20 0 JJADMO Cc1cc(S(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)ccc1Cl ZINC001463843050 1068545278 /nfs/dbraw/zinc/54/52/78/1068545278.db2.gz DATRSJPINSHBFD-LADGPHEKSA-N 1 1 458.986 4.734 20 0 JJADMO Cc1cc(C)c(S(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)c(C)c1F ZINC001463847042 1068546622 /nfs/dbraw/zinc/54/66/22/1068546622.db2.gz NYRYFEZVXABMLE-BJKOFHAPSA-N 1 1 470.585 4.837 20 0 JJADMO COc1ccc(C[N@H+]2CCCN(C(=O)CCCOc3ccc(Cl)cc3Cl)CC2)cc1 ZINC001463899844 1068560119 /nfs/dbraw/zinc/56/01/19/1068560119.db2.gz RIENCCNSQMCZEJ-UHFFFAOYSA-N 1 1 451.394 4.896 20 0 JJADMO Cc1c(C(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001463909670 1068562450 /nfs/dbraw/zinc/56/24/50/1068562450.db2.gz WJCYLVIZTOCUGW-UHFFFAOYSA-N 1 1 456.512 4.856 20 0 JJADMO Cc1cc2cc(S(=O)(=O)N3C[C@H](C)[N@@H+](Cc4ccccc4)[C@H](C)[C@H]3C)ccc2nc1Cl ZINC001464006810 1068587161 /nfs/dbraw/zinc/58/71/61/1068587161.db2.gz VLYILQXSHXYZMD-IPMKNSEASA-N 1 1 458.027 4.869 20 0 JJADMO Cc1cc2cc(S(=O)(=O)N3C[C@H](C)[N@H+](Cc4ccccc4)[C@H](C)[C@H]3C)ccc2nc1Cl ZINC001464006810 1068587175 /nfs/dbraw/zinc/58/71/75/1068587175.db2.gz VLYILQXSHXYZMD-IPMKNSEASA-N 1 1 458.027 4.869 20 0 JJADMO CC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001464020921 1068590974 /nfs/dbraw/zinc/59/09/74/1068590974.db2.gz YWZYQJDEIVJGKY-INIZCTEOSA-N 1 1 459.384 4.901 20 0 JJADMO Cc1cccc(Oc2ccc(S(=O)(=O)N3CC[C@H]([N@@H+](C)CCc4ccccc4)C3)cc2)c1 ZINC001464022195 1068591888 /nfs/dbraw/zinc/59/18/88/1068591888.db2.gz IDUFSACLKQYQJF-QHCPKHFHSA-N 1 1 450.604 4.725 20 0 JJADMO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)[C@@H](C)c4cccc(Cl)c4)CC3)n2)cc1 ZINC001464076719 1068607067 /nfs/dbraw/zinc/60/70/67/1068607067.db2.gz QQPLUSOVPQGMRS-IBGZPJMESA-N 1 1 452.986 4.579 20 0 JJADMO CCOc1ccc(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C(C)C)C2)c2ccccc12 ZINC001464085975 1068609107 /nfs/dbraw/zinc/60/91/07/1068609107.db2.gz CCAYZTBEVLZWPA-XMMPIXPASA-N 1 1 452.620 4.770 20 0 JJADMO CCOc1ccc(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C(C)C)C2)c2ccccc12 ZINC001464085975 1068609117 /nfs/dbraw/zinc/60/91/17/1068609117.db2.gz CCAYZTBEVLZWPA-XMMPIXPASA-N 1 1 452.620 4.770 20 0 JJADMO CC[C@@H](CNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C)[N@H+]1CCc2ccccc2C1 ZINC001464099825 1068615393 /nfs/dbraw/zinc/61/53/93/1068615393.db2.gz HSQJOQYYJAWLAM-NRFANRHFSA-N 1 1 456.512 4.766 20 0 JJADMO Cc1cccc(N2CCN(Cc3ccc(NC(=O)c4ccc(CC[NH+](C)C)cc4)cc3)CC2)c1 ZINC001464132520 1068628455 /nfs/dbraw/zinc/62/84/55/1068628455.db2.gz KFSVQJLNDJCSRL-UHFFFAOYSA-N 1 1 456.634 4.674 20 0 JJADMO CC[C@@H](Cc1ccccc1Br)C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC001464134693 1068629329 /nfs/dbraw/zinc/62/93/29/1068629329.db2.gz YQDWEPKEANFSNY-FQEVSTJZSA-N 1 1 458.444 4.794 20 0 JJADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CC(C)(C)NC(=O)OCc3ccccc3)cc2)C1 ZINC001464154048 1068635002 /nfs/dbraw/zinc/63/50/02/1068635002.db2.gz MGWHULCHNPDBQT-OAQYLSRUSA-N 1 1 451.611 4.630 20 0 JJADMO Cc1cccc(-c2noc(SCC(=O)NCc3ccccc3C[N@@H+]3CCC[C@@H](C)C3)n2)c1 ZINC001464158057 1068637022 /nfs/dbraw/zinc/63/70/22/1068637022.db2.gz PBZHMUXHLPOHHM-LJQANCHMSA-N 1 1 450.608 4.685 20 0 JJADMO CC(C)c1ccc(Oc2cc(C(=O)NCc3ccc(C[NH+]4CCN(C)CC4)cc3)ccn2)cc1 ZINC001464159892 1068637658 /nfs/dbraw/zinc/63/76/58/1068637658.db2.gz NMMRQHNHEPTAEL-UHFFFAOYSA-N 1 1 458.606 4.675 20 0 JJADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](c1cccc(Br)c1)N1CCCC1 ZINC001464199263 1068653574 /nfs/dbraw/zinc/65/35/74/1068653574.db2.gz LUZYTJHKKZWFQJ-HSZRJFAPSA-N 1 1 458.444 4.743 20 0 JJADMO C[C@H](CNC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC001464202057 1068655042 /nfs/dbraw/zinc/65/50/42/1068655042.db2.gz ULPGJCKHNGBKCE-LJQANCHMSA-N 1 1 451.517 4.698 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2cnc(Cl)c(Br)c2)C1 ZINC001464206105 1068656670 /nfs/dbraw/zinc/65/66/70/1068656670.db2.gz VGTQDNZFMNBGSF-GASCZTMLSA-N 1 1 450.808 4.905 20 0 JJADMO CC(C)c1ccc([C@H](CNC(=O)[C@H](C)N2CCSCC2)[N@@H+]2CCc3sccc3C2)cc1 ZINC001464206511 1068656721 /nfs/dbraw/zinc/65/67/21/1068656721.db2.gz KTMCJCGFTUHXME-CVDCTZTESA-N 1 1 457.709 4.524 20 0 JJADMO CC(C)c1ccc([C@H](CNC(=O)[C@H](C)N2CCSCC2)[N@H+]2CCc3sccc3C2)cc1 ZINC001464206511 1068656733 /nfs/dbraw/zinc/65/67/33/1068656733.db2.gz KTMCJCGFTUHXME-CVDCTZTESA-N 1 1 457.709 4.524 20 0 JJADMO CC(C)c1ccc([C@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)[N@@H+]2CCc3sccc3C2)cc1 ZINC001464206562 1068656750 /nfs/dbraw/zinc/65/67/50/1068656750.db2.gz LFJYYTNTLIIJIE-AVRDEDQJSA-N 1 1 455.668 4.638 20 0 JJADMO CC(C)c1ccc([C@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)[N@H+]2CCc3sccc3C2)cc1 ZINC001464206562 1068656756 /nfs/dbraw/zinc/65/67/56/1068656756.db2.gz LFJYYTNTLIIJIE-AVRDEDQJSA-N 1 1 455.668 4.638 20 0 JJADMO Cc1ccc(Cl)c(S(=O)(=O)N[C@@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)c1Cl ZINC001464206801 1068657534 /nfs/dbraw/zinc/65/75/34/1068657534.db2.gz PSIVOMFTFAAIQU-HNNXBMFYSA-N 1 1 455.329 4.902 20 0 JJADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3coc(CNC(=O)OC(C)(C)C)c3)cc2)C1 ZINC001464216885 1068661089 /nfs/dbraw/zinc/66/10/89/1068661089.db2.gz ZUFDVEYPAAUPTA-KDURUIRLSA-N 1 1 455.599 4.712 20 0 JJADMO Cc1ccc(S(=O)(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)cc1C(F)(F)F ZINC001464221264 1068663154 /nfs/dbraw/zinc/66/31/54/1068663154.db2.gz XVSVCSILZBGXRI-QGZVFWFLSA-N 1 1 455.329 4.902 20 0 JJADMO Cc1ccc(OCCCC(=O)Nc2ccc(CNC(=O)[C@@H]3CCC[N@H+](C(C)C)C3)cc2)cc1 ZINC001464223747 1068664427 /nfs/dbraw/zinc/66/44/27/1068664427.db2.gz PEEVJMFFPWNREO-HSZRJFAPSA-N 1 1 451.611 4.529 20 0 JJADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC001464225308 1068665043 /nfs/dbraw/zinc/66/50/43/1068665043.db2.gz AHRLYDCQOYEZAS-IZZNHLLZSA-N 1 1 464.631 4.567 20 0 JJADMO COc1ccc(S(=O)(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)c(Cl)c1Cl ZINC001464243197 1068672857 /nfs/dbraw/zinc/67/28/57/1068672857.db2.gz ZZOBJRBVPOTROF-KRWDZBQOSA-N 1 1 457.423 4.725 20 0 JJADMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1cc(OCc2ccccc2)ccc1O ZINC001464324717 1068706457 /nfs/dbraw/zinc/70/64/57/1068706457.db2.gz BESMZHBKJBRJHB-UHFFFAOYSA-N 1 1 452.501 4.644 20 0 JJADMO Cc1ccc(C[N@@H+]2CC[C@@H](NS(=O)(=O)c3ccc(Oc4ccc(Cl)cc4)cc3)C2)cc1 ZINC001464325741 1068706908 /nfs/dbraw/zinc/70/69/08/1068706908.db2.gz FDCXCURPESBUIF-OAQYLSRUSA-N 1 1 456.995 4.994 20 0 JJADMO Cc1ccc(C[N@H+]2CC[C@@H](NS(=O)(=O)c3ccc(Oc4ccc(Cl)cc4)cc3)C2)cc1 ZINC001464325741 1068706921 /nfs/dbraw/zinc/70/69/21/1068706921.db2.gz FDCXCURPESBUIF-OAQYLSRUSA-N 1 1 456.995 4.994 20 0 JJADMO CCc1c(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cnn1-c1ccccc1Cl ZINC001464329421 1068707989 /nfs/dbraw/zinc/70/79/89/1068707989.db2.gz PQXRRMKWMKMVTR-UHFFFAOYSA-N 1 1 458.940 4.761 20 0 JJADMO CCCOc1ccc(C(=O)NCc2cccnc2-n2cc[nH+]c2C)c(OCc2ccccc2)c1 ZINC001464399646 1068732988 /nfs/dbraw/zinc/73/29/88/1068732988.db2.gz MGJLCHXDJODYJU-UHFFFAOYSA-N 1 1 456.546 4.874 20 0 JJADMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc2c(c1)[C@H](CNC(=O)OC(C)(C)C)CCC2 ZINC001464435082 1068744600 /nfs/dbraw/zinc/74/46/00/1068744600.db2.gz VOSSBFFBZMQUQB-SRYPRDQNSA-N 1 1 457.659 4.727 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)CCCCC1 ZINC001464436683 1068745209 /nfs/dbraw/zinc/74/52/09/1068745209.db2.gz DCQCAMKRCIGMOV-UHFFFAOYSA-N 1 1 458.521 4.958 20 0 JJADMO COc1ccc(S(=O)(=O)NCC2([N@@H+](C)Cc3ccccc3)CCCCC2)c2ccccc12 ZINC001464440843 1068746635 /nfs/dbraw/zinc/74/66/35/1068746635.db2.gz PLSPAFNSCIFSSX-UHFFFAOYSA-N 1 1 452.620 4.962 20 0 JJADMO C[N@H+](Cc1ccccc1)C1(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2O)CCCCC1 ZINC001464442069 1068747340 /nfs/dbraw/zinc/74/73/40/1068747340.db2.gz UJBUWTFPYWTGCF-UHFFFAOYSA-N 1 1 456.530 4.524 20 0 JJADMO C[N@@H+](Cc1ccccc1)C1(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2O)CCCCC1 ZINC001464442069 1068747348 /nfs/dbraw/zinc/74/73/48/1068747348.db2.gz UJBUWTFPYWTGCF-UHFFFAOYSA-N 1 1 456.530 4.524 20 0 JJADMO CC(C)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)c(Cl)c2)C1 ZINC001464453585 1068751909 /nfs/dbraw/zinc/75/19/09/1068751909.db2.gz REUNRFMVLAAAFC-JOCHJYFZSA-N 1 1 455.046 4.721 20 0 JJADMO CC(C)(CNC(=O)c1cc(-c2ccc(Br)cc2)no1)[N@H+]1CCc2ccccc2C1 ZINC001464490583 1068764528 /nfs/dbraw/zinc/76/45/28/1068764528.db2.gz DCAPJARIRZYHOV-UHFFFAOYSA-N 1 1 454.368 4.671 20 0 JJADMO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001464552842 1068779466 /nfs/dbraw/zinc/77/94/66/1068779466.db2.gz OLBBOEVOALQXRY-QGZVFWFLSA-N 1 1 454.924 4.584 20 0 JJADMO CC(C)(C)OC(=O)N1CCc2c1cccc2C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC001464566234 1068783707 /nfs/dbraw/zinc/78/37/07/1068783707.db2.gz QXPJSVGDRMWMSM-UHFFFAOYSA-N 1 1 453.608 4.785 20 0 JJADMO C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCC5(C[C@H]5CCO)CC4)c23)C1 ZINC001164390643 718811432 /nfs/dbraw/zinc/81/14/32/718811432.db2.gz BAQOJHOVPKKHAH-RBUKOAKNSA-N 1 1 454.684 4.791 20 0 JJADMO CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3CCC4(CC(=O)CO4)CC3)n2)CC1 ZINC001164388646 718827849 /nfs/dbraw/zinc/82/78/49/718827849.db2.gz DBXKHAHRLRANTJ-UHFFFAOYSA-N 1 1 482.675 4.980 20 0 JJADMO FC1(F)CO[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@@H]21 ZINC001164426252 718928290 /nfs/dbraw/zinc/92/82/90/718928290.db2.gz YTLCFBWCLGXYMB-OALUTQOASA-N 1 1 456.562 4.815 20 0 JJADMO CCOC(=O)[C@]12C[C@H]1CCN2c1nc(C[NH+]2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001164619618 719041586 /nfs/dbraw/zinc/04/15/86/719041586.db2.gz CYRCVEBGXKEOCW-BCHFMIIMSA-N 1 1 462.619 4.876 20 0 JJADMO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164630150 719095185 /nfs/dbraw/zinc/09/51/85/719095185.db2.gz VPVMXYCMZBVLMK-UXHICEINSA-N 1 1 455.940 4.838 20 0 JJADMO CC(C)c1nccc([C@@H]2C[C@@H]3CCN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C[C@H]3O2)n1 ZINC001164638330 719261126 /nfs/dbraw/zinc/26/11/26/719261126.db2.gz OLBBQUMAHMNDNX-WDDWZANVSA-N 1 1 469.633 4.910 20 0 JJADMO COc1cc2c(cc1OCc1ccccc1)ncnc2N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001164646444 719308387 /nfs/dbraw/zinc/30/83/87/719308387.db2.gz DXYDQLHQWCPNOM-UHFFFAOYSA-N 1 1 486.620 4.619 20 0 JJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(-c3ccccc3F)nc3ccc(F)cc31)CC2 ZINC001164646642 719308905 /nfs/dbraw/zinc/30/89/05/719308905.db2.gz GCBBMHBKUQLCHS-UHFFFAOYSA-N 1 1 462.548 4.977 20 0 JJADMO Cc1sc2nc(-c3cccnc3)nc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)c2c1C ZINC001164652918 719315048 /nfs/dbraw/zinc/31/50/48/719315048.db2.gz UGEMUXSVWWRENF-UHFFFAOYSA-N 1 1 461.639 4.772 20 0 JJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)CC2 ZINC001164653594 719315637 /nfs/dbraw/zinc/31/56/37/719315637.db2.gz XENOUGRNZOMSPN-UHFFFAOYSA-N 1 1 460.960 4.744 20 0 JJADMO CCc1cccc(Oc2nc(Cl)ncc2N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c1 ZINC001164653325 719317515 /nfs/dbraw/zinc/31/75/15/719317515.db2.gz LWMMXSXZNBBMRP-UHFFFAOYSA-N 1 1 455.006 4.886 20 0 JJADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)CC2 ZINC001164651366 719318102 /nfs/dbraw/zinc/31/81/02/719318102.db2.gz GZAMZGKGJNTNLW-UHFFFAOYSA-N 1 1 478.950 4.883 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCO[C@@H]4[C@H](OCC5CCCC5)CC[C@@H]43)c2c1C ZINC001164662044 719343774 /nfs/dbraw/zinc/34/37/74/719343774.db2.gz MTGDCSZCXOBHMW-IMSXRSKXSA-N 1 1 470.683 4.847 20 0 JJADMO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(-c4cccnc4)nc4ccccc42)CC3)cc1 ZINC001164671682 719521852 /nfs/dbraw/zinc/52/18/52/719521852.db2.gz HCXQMQUPUWOJRV-UHFFFAOYSA-N 1 1 469.564 4.702 20 0 JJADMO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(-c4cccnc4)nc4ccccc42)CC3)cc1 ZINC001164671682 719521861 /nfs/dbraw/zinc/52/18/61/719521861.db2.gz HCXQMQUPUWOJRV-UHFFFAOYSA-N 1 1 469.564 4.702 20 0 JJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)nc1 ZINC001164679076 719530224 /nfs/dbraw/zinc/53/02/24/719530224.db2.gz RHSGBUMNEOZGPY-RUZDIDTESA-N 1 1 452.618 4.639 20 0 JJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(C(=O)OCc4ccccc4)cn2)CC3)cs1 ZINC001164692017 719814386 /nfs/dbraw/zinc/81/43/86/719814386.db2.gz KOQXQMWTNHWIPS-UHFFFAOYSA-N 1 1 462.619 4.839 20 0 JJADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164696632 719897461 /nfs/dbraw/zinc/89/74/61/719897461.db2.gz GKIRJGWTUZWSQH-UHFFFAOYSA-N 1 1 486.037 4.998 20 0 JJADMO Cc1sc2nc(CN3CCCC3)nc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2c1C ZINC001164707933 719898665 /nfs/dbraw/zinc/89/86/65/719898665.db2.gz ZRLBYNLUDRSUGP-UHFFFAOYSA-N 1 1 497.734 4.837 20 0 JJADMO c1csc(C[N@H+]2CCOC3(CCN(c4cc(SCc5ccccc5)ncn4)CC3)C2)c1 ZINC001164706495 719901428 /nfs/dbraw/zinc/90/14/28/719901428.db2.gz ITAHBUDBLKKWBZ-UHFFFAOYSA-N 1 1 452.649 4.702 20 0 JJADMO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)nc1 ZINC001164706952 719903021 /nfs/dbraw/zinc/90/30/21/719903021.db2.gz MCXQEYICEADRNL-DEOSSOPVSA-N 1 1 454.684 4.952 20 0 JJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)nc1 ZINC001164706952 719903039 /nfs/dbraw/zinc/90/30/39/719903039.db2.gz MCXQEYICEADRNL-DEOSSOPVSA-N 1 1 454.684 4.952 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C2 ZINC001164809302 720089260 /nfs/dbraw/zinc/08/92/60/720089260.db2.gz JHRVBOTZZHOIIN-QVKFZJNVSA-N 1 1 471.379 4.666 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(Cl)nc1Cl)CC2 ZINC001164711095 720096760 /nfs/dbraw/zinc/09/67/60/720096760.db2.gz OBTDCDBCSYJIPE-KRWDZBQOSA-N 1 1 471.379 4.836 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1c(Cl)cc(Cl)nc1Cl)CC2 ZINC001164714939 720105599 /nfs/dbraw/zinc/10/55/99/720105599.db2.gz FVDZGELRIIJLIW-INIZCTEOSA-N 1 1 455.817 4.944 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3sc(C)cc31)CC2 ZINC001164717432 720108774 /nfs/dbraw/zinc/10/87/74/720108774.db2.gz OZBLUHLJLGEMCN-GOSISDBHSA-N 1 1 458.031 4.556 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cccc(-c3cccc(Cl)n3)n1)CC2 ZINC001164714888 720118547 /nfs/dbraw/zinc/11/85/47/720118547.db2.gz DIHOLGOAYAFKRN-OAQYLSRUSA-N 1 1 464.013 4.700 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1c(Cl)ncc(Cl)c1Cl)CC2 ZINC001164718059 720120031 /nfs/dbraw/zinc/12/00/31/720120031.db2.gz RDSZWFRSSFKJBF-MRXNPFEDSA-N 1 1 455.817 4.944 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc3ccccc3nc1Cl)CC2 ZINC001164714295 720126335 /nfs/dbraw/zinc/12/63/35/720126335.db2.gz BQFPOYQPOIWBSU-IBGZPJMESA-N 1 1 487.982 4.731 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccccc3Cl)nn1)CC2 ZINC001164710779 720128706 /nfs/dbraw/zinc/12/87/06/720128706.db2.gz CHZJFINOAFHPBP-OAQYLSRUSA-N 1 1 464.013 4.700 20 0 JJADMO CCCCOc1cnc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)c(Cl)c1 ZINC001164713038 720136173 /nfs/dbraw/zinc/13/61/73/720136173.db2.gz PEWDSMBUHOQLTB-OAQYLSRUSA-N 1 1 459.034 4.816 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3ccn(C(=O)c4ccccc4)c3n1)CC2 ZINC001164711628 720137590 /nfs/dbraw/zinc/13/75/90/720137590.db2.gz HMCLYSYCCHGSFF-SANMLTNESA-N 1 1 495.627 4.627 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3ccccc3nc1N1CCCCC1)CC2 ZINC001164712564 720138551 /nfs/dbraw/zinc/13/85/51/720138551.db2.gz NNSCGRJAYQVCKU-XMMPIXPASA-N 1 1 486.664 4.523 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3cc(C)ccc3C)nn1)CC2 ZINC001164710464 720145761 /nfs/dbraw/zinc/14/57/61/720145761.db2.gz BQCHNOCIXKXVTP-XMMPIXPASA-N 1 1 457.622 4.663 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C(F)F)nc3ccc(F)cc31)CC2 ZINC001164710444 720151347 /nfs/dbraw/zinc/15/13/47/720151347.db2.gz BMXZCNVUBGARAN-IBGZPJMESA-N 1 1 471.527 4.609 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(CC(C)C)nc(Cl)c1C)CC2 ZINC001164710795 720153274 /nfs/dbraw/zinc/15/32/74/720153274.db2.gz CSPRODRJPZKWHB-OAQYLSRUSA-N 1 1 458.050 4.539 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)CC2 ZINC001164713059 720153535 /nfs/dbraw/zinc/15/35/35/720153535.db2.gz PSTLJMOAVJDORA-NRFANRHFSA-N 1 1 487.044 4.593 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C3CCC3)nc(Cl)c1C)CC2 ZINC001164712677 720154855 /nfs/dbraw/zinc/15/48/55/720154855.db2.gz OJBIQEGSDMMHKG-NRFANRHFSA-N 1 1 456.034 4.608 20 0 JJADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccnc(CSc3ccccc3)n1)CC2 ZINC001164712489 720155130 /nfs/dbraw/zinc/15/51/30/720155130.db2.gz MTIMOJYQSNZXHO-QHCPKHFHSA-N 1 1 475.662 4.671 20 0 JJADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccnc(CSc3ccccc3)n1)CC2 ZINC001164712487 720155268 /nfs/dbraw/zinc/15/52/68/720155268.db2.gz MTIMOJYQSNZXHO-HSZRJFAPSA-N 1 1 475.662 4.671 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(CSC)nc3sc4c(c31)CCCC4)C2 ZINC001164818223 720170140 /nfs/dbraw/zinc/17/01/40/720170140.db2.gz SHIJFJXUMAFORW-IQGLISFBSA-N 1 1 472.724 4.618 20 0 JJADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)C2 ZINC001164818442 720173241 /nfs/dbraw/zinc/17/32/41/720173241.db2.gz SVAMBPPDRIOUQN-NZQKXSOJSA-N 1 1 462.972 4.527 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc(-c3ccc(F)c(Cl)c3)n1)C2 ZINC001164813665 720193041 /nfs/dbraw/zinc/19/30/41/720193041.db2.gz DDRXPYMBELTDDR-UZUQRXQVSA-N 1 1 465.400 4.774 20 0 JJADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)C2 ZINC001164811718 720204995 /nfs/dbraw/zinc/20/49/95/720204995.db2.gz JVQLBBOWCGMFLR-WZONZLPQSA-N 1 1 480.962 4.666 20 0 JJADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3sc(-c4ccccc4)cc31)CCC2 ZINC001164813828 720230297 /nfs/dbraw/zinc/23/02/97/720230297.db2.gz PPJDFJYPHOXDOX-UHFFFAOYSA-N 1 1 495.052 4.819 20 0 JJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@]3(CCN(CC4CC4)C3=O)C2)n1 ZINC001164817256 720282821 /nfs/dbraw/zinc/28/28/21/720282821.db2.gz BSKJNYQNRCRJPW-MHZLTWQESA-N 1 1 475.662 4.649 20 0 JJADMO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164729789 720392447 /nfs/dbraw/zinc/39/24/47/720392447.db2.gz WKMWJUQPGSGZCK-IAGOWNOFSA-N 1 1 450.320 4.730 20 0 JJADMO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730299 720393988 /nfs/dbraw/zinc/39/39/88/720393988.db2.gz WNEQGBJBSCLGNL-ZWKOTPCHSA-N 1 1 450.320 4.730 20 0 JJADMO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730299 720393992 /nfs/dbraw/zinc/39/39/92/720393992.db2.gz WNEQGBJBSCLGNL-ZWKOTPCHSA-N 1 1 450.320 4.730 20 0 JJADMO Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3c3nc(C[NH+]4CCC(C)CC4)nc4sc5c(c43)CCC5)O2)n1 ZINC001164826132 720408774 /nfs/dbraw/zinc/40/87/74/720408774.db2.gz BTXKVKBHYGWPOO-AABGKKOBSA-N 1 1 494.665 4.602 20 0 JJADMO CSCc1nc2sc3c(c2c(N2CC[C@@H]4[C@@H]2CC[N@H+]4Cc2cccnc2)n1)CCCC3 ZINC001164734813 720439427 /nfs/dbraw/zinc/43/94/27/720439427.db2.gz UWDROGNGWYYASM-MOPGFXCFSA-N 1 1 451.665 4.681 20 0 JJADMO Cc1sc2nc(CN3CCCCC3)nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164732426 720440598 /nfs/dbraw/zinc/44/05/98/720440598.db2.gz NHMOEJSFVWQWNN-YADHBBJMSA-N 1 1 462.667 4.542 20 0 JJADMO Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164730560 720485312 /nfs/dbraw/zinc/48/53/12/720485312.db2.gz UDNVYGKVWVEBGU-VXKWHMMOSA-N 1 1 455.940 4.899 20 0 JJADMO Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164730560 720485328 /nfs/dbraw/zinc/48/53/28/720485328.db2.gz UDNVYGKVWVEBGU-VXKWHMMOSA-N 1 1 455.940 4.899 20 0 JJADMO Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164726392 720485790 /nfs/dbraw/zinc/48/57/90/720485790.db2.gz LUUGHQBYEQDOPV-FGZHOGPDSA-N 1 1 455.940 4.899 20 0 JJADMO Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164726392 720485794 /nfs/dbraw/zinc/48/57/94/720485794.db2.gz LUUGHQBYEQDOPV-FGZHOGPDSA-N 1 1 455.940 4.899 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc4scc(-c5ccccc5)c43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164832472 720523259 /nfs/dbraw/zinc/52/32/59/720523259.db2.gz AVWXHCJLVKRGFB-QNWVGRARSA-N 1 1 458.635 4.933 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)CC[C@@H]21 ZINC001164834198 720565685 /nfs/dbraw/zinc/56/56/85/720565685.db2.gz CQZZBNDRRSWOJO-ACRUOGEOSA-N 1 1 486.998 4.916 20 0 JJADMO CSc1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164836779 720590178 /nfs/dbraw/zinc/59/01/78/720590178.db2.gz GWLBNKDVELBPSU-FRQCXROJSA-N 1 1 456.006 4.576 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(F)ccc3Oc3ccc(Cl)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839751 720603092 /nfs/dbraw/zinc/60/30/92/720603092.db2.gz OGLNHXCWZOMVEA-YZGWKJHDSA-N 1 1 470.980 4.636 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)CC[C@@H]21 ZINC001164836164 720612360 /nfs/dbraw/zinc/61/23/60/720612360.db2.gz DYXOIFQPAYWQHJ-NWSQWKLXSA-N 1 1 486.998 4.916 20 0 JJADMO Cc1nc(-c2ccccc2)nc(Cl)c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164835294 720614370 /nfs/dbraw/zinc/61/43/70/720614370.db2.gz AYZBVAHCBLSHBL-BHDDXSALSA-N 1 1 451.018 4.680 20 0 JJADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(-c4ccc(N5CCCCC5)cc4)nn3)CC[C@@H]21 ZINC001164836793 720630427 /nfs/dbraw/zinc/63/04/27/720630427.db2.gz GXKVXQZOTXZAPM-MPYJOUPCSA-N 1 1 485.680 4.708 20 0 JJADMO COc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164841969 720642498 /nfs/dbraw/zinc/64/24/98/720642498.db2.gz RGRSTOHZTQGOKY-XQBPLPMBSA-N 1 1 483.016 4.505 20 0 JJADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cnc(Cl)nc3Oc3cccc(F)c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838289 720643641 /nfs/dbraw/zinc/64/36/41/720643641.db2.gz KOWCUDXEJCALIN-SLYNCCJLSA-N 1 1 470.980 4.636 20 0 JJADMO COc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164838119 720645145 /nfs/dbraw/zinc/64/51/45/720645145.db2.gz FGNROVZMEYIOBC-VAMGGRTRSA-N 1 1 483.016 4.505 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc(Cl)n1)CC2 ZINC001164838290 720661806 /nfs/dbraw/zinc/66/18/06/720661806.db2.gz HAKIXGOKUKZCGJ-MRXNPFEDSA-N 1 1 457.352 4.588 20 0 JJADMO COc1cc(C(F)(F)N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cc(Cl)n1 ZINC001164844226 720665560 /nfs/dbraw/zinc/66/55/60/720665560.db2.gz YUFOFFMHQCTWCZ-IBGZPJMESA-N 1 1 451.945 4.548 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(C(=O)N3CCCCC3)cc(Cl)n1)CC2 ZINC001164840548 720673321 /nfs/dbraw/zinc/67/33/21/720673321.db2.gz NJCAMHKTCKSDQV-HSZRJFAPSA-N 1 1 483.056 4.621 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1nc(Cl)ncc1Cl)CC2 ZINC001164840503 720674349 /nfs/dbraw/zinc/67/43/49/720674349.db2.gz MWUWSNQWHZQKRZ-INIZCTEOSA-N 1 1 457.352 4.588 20 0 JJADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164839923 720683536 /nfs/dbraw/zinc/68/35/36/720683536.db2.gz CWBFIRWUJFDQPM-OAQYLSRUSA-N 1 1 492.645 4.642 20 0 JJADMO COc1ccc(C(F)(F)N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)n1 ZINC001164844899 720688514 /nfs/dbraw/zinc/68/85/14/720688514.db2.gz VZQQBQZJJSHRGF-SFHVURJKSA-N 1 1 451.945 4.548 20 0 JJADMO COc1cc2c(cc1Cl)ncnc2N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164843766 720691644 /nfs/dbraw/zinc/69/16/44/720691644.db2.gz QTYLMIKGVDRQIE-IBGZPJMESA-N 1 1 452.986 4.552 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(C(=O)Nc3ccccc3)ccn1)CC2 ZINC001164839776 720692210 /nfs/dbraw/zinc/69/22/10/720692210.db2.gz BRHSAFDCUKSCDF-VWLOTQADSA-N 1 1 456.590 4.594 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc(Oc3ccc(F)cc3)n1)CC2 ZINC001164845306 720699617 /nfs/dbraw/zinc/69/96/17/720699617.db2.gz XZDOTXICNIEHAO-HXUWFJFHSA-N 1 1 483.975 4.716 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)CC2 ZINC001164844942 720700650 /nfs/dbraw/zinc/70/06/50/720700650.db2.gz WTVNNKFEITUNFV-FQEVSTJZSA-N 1 1 483.975 4.716 20 0 JJADMO CCOC(=O)c1cc2ccccc2nc1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164844953 720701430 /nfs/dbraw/zinc/70/14/30/720701430.db2.gz WXVHWBXBPBGSPN-HSZRJFAPSA-N 1 1 459.590 4.671 20 0 JJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)CC2 ZINC001164844944 720701548 /nfs/dbraw/zinc/70/15/48/720701548.db2.gz WTVNNKFEITUNFV-HXUWFJFHSA-N 1 1 483.975 4.716 20 0 JJADMO Fc1cnc(N2CCC3(CC2)CN(c2nc(Cl)ccc2C[NH+]2CCCC2)Cc2ccccc23)nc1 ZINC001164836210 720735101 /nfs/dbraw/zinc/73/51/01/720735101.db2.gz CHXUIUPGNMKMSU-UHFFFAOYSA-N 1 1 493.030 4.818 20 0 JJADMO CC[C@H]1N(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)CCC[C@]12CCC(=O)N2 ZINC001164846856 720755815 /nfs/dbraw/zinc/75/58/15/720755815.db2.gz KHBJKRMVUPVDSE-IBVKSMDESA-N 1 1 467.683 4.584 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@]4(CCN(Cc5cccc(C)c5)C4=O)C3)c2c1C ZINC001164848525 720807816 /nfs/dbraw/zinc/80/78/16/720807816.db2.gz CVPCFLSXMCOYCK-NDEPHWFRSA-N 1 1 489.689 4.841 20 0 JJADMO c1ncn(C[C@H]2C[C@H]3CN(c4nc(-c5ccccc5)cc(-c5ccccc5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164741464 720820343 /nfs/dbraw/zinc/82/03/43/720820343.db2.gz NVUWWCXQDRCFGQ-IWVFXYMLSA-N 1 1 491.643 4.782 20 0 JJADMO Cc1ccc(-c2nnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c3ccccc32)cc1C ZINC001164747904 720846702 /nfs/dbraw/zinc/84/67/02/720846702.db2.gz RZIVOSKMZUQGLT-BXTSTYNKSA-N 1 1 493.659 4.885 20 0 JJADMO Cc1nc2scc(-c3cccs3)c2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164744613 720847941 /nfs/dbraw/zinc/84/79/41/720847941.db2.gz KVBNGQOKNQTWGT-SVFBPWRDSA-N 1 1 491.690 4.699 20 0 JJADMO Cc1sc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1-c1ccccc1 ZINC001164745166 720848005 /nfs/dbraw/zinc/84/80/05/720848005.db2.gz MEBDCWNVGAOVNK-DNVJHFABSA-N 1 1 485.661 4.638 20 0 JJADMO c1csc(-c2nc(-c3ccccc3)cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)c1 ZINC001164753084 720851587 /nfs/dbraw/zinc/85/15/87/720851587.db2.gz WIGGRJSFVGZRIB-GIFXNVAJSA-N 1 1 497.672 4.843 20 0 JJADMO Clc1ccc(Cl)c2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ccc12 ZINC001164747140 720856551 /nfs/dbraw/zinc/85/65/51/720856551.db2.gz HZPWCMYHWILWHL-CSODHUTKSA-N 1 1 457.409 4.513 20 0 JJADMO Clc1ccc(Cl)c2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ccc12 ZINC001164747135 720857032 /nfs/dbraw/zinc/85/70/32/720857032.db2.gz HZPWCMYHWILWHL-CBGDNZLLSA-N 1 1 457.409 4.513 20 0 JJADMO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164753056 720861743 /nfs/dbraw/zinc/86/17/43/720861743.db2.gz VSUICSNHJFEIMZ-DNVFCKCGSA-N 1 1 491.030 4.520 20 0 JJADMO Cc1nc([C@H]2COCCN2c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)cs1 ZINC001164746851 720864779 /nfs/dbraw/zinc/86/47/79/720864779.db2.gz GTAGGLBWYWZFJK-GOSISDBHSA-N 1 1 455.653 4.509 20 0 JJADMO Clc1ccc(-c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)cc1 ZINC001164749008 720875631 /nfs/dbraw/zinc/87/56/31/720875631.db2.gz GCICKAOIXVYLNW-YWEHKCAJSA-N 1 1 490.051 4.947 20 0 JJADMO Clc1ccc(-c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)cc1 ZINC001164749002 720875662 /nfs/dbraw/zinc/87/56/62/720875662.db2.gz GCICKAOIXVYLNW-CUBQBAPOSA-N 1 1 490.051 4.947 20 0 JJADMO Fc1ccc(C(F)(F)N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1Cl ZINC001164754592 720875820 /nfs/dbraw/zinc/87/58/20/720875820.db2.gz SBTCTMMHSFHSLW-CVDCTZTESA-N 1 1 480.962 4.569 20 0 JJADMO Fc1cc2nc(Cl)c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2cc1F ZINC001164757820 720884774 /nfs/dbraw/zinc/88/47/74/720884774.db2.gz VTSRABNHPMKMGM-AFMDSPMNSA-N 1 1 499.993 4.712 20 0 JJADMO CSc1nc2ccsc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164758147 720886510 /nfs/dbraw/zinc/88/65/10/720886510.db2.gz XDMYLYJVHCEAPU-CJFMBICVSA-N 1 1 481.691 4.563 20 0 JJADMO Fc1cc(C(F)(F)N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cnc1Cl ZINC001164756825 720886696 /nfs/dbraw/zinc/88/66/96/720886696.db2.gz RFGNJTZADZSSRI-OFNKIYASSA-N 1 1 480.962 4.569 20 0 JJADMO Cc1cc(Cl)ncc1C(F)(F)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757205 720890629 /nfs/dbraw/zinc/89/06/29/720890629.db2.gz UIUTWJIVLVYXIM-XUZZJYLKSA-N 1 1 476.999 4.738 20 0 JJADMO Cc1ccc2c(c1)nc(Cl)nc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754481 720890915 /nfs/dbraw/zinc/89/09/15/720890915.db2.gz JAPSTBIKVZTPTN-CUNXSJBXSA-N 1 1 478.040 4.742 20 0 JJADMO Cc1nc(C2CCCCC2)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753196 720905652 /nfs/dbraw/zinc/90/56/52/720905652.db2.gz QUIWQLMOZAQXMI-UHSQPCAPSA-N 1 1 475.681 4.983 20 0 JJADMO c1ccc(COc2cccnc2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc1 ZINC001164752918 720908229 /nfs/dbraw/zinc/90/82/29/720908229.db2.gz PKCYUOLOBQFUOT-FIBWVYCGSA-N 1 1 484.644 4.811 20 0 JJADMO CC(C)c1ccc2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164748546 720912727 /nfs/dbraw/zinc/91/27/27/720912727.db2.gz GURXFGIMUSRABH-VAVYLYDRSA-N 1 1 471.649 4.903 20 0 JJADMO Clc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(-c2ccccc2)n1 ZINC001164748088 720920511 /nfs/dbraw/zinc/92/05/11/720920511.db2.gz FUUCLUPMTJEEDV-YWEHKCAJSA-N 1 1 490.051 4.947 20 0 JJADMO CCOc1ccc(-c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)cc1 ZINC001164753770 720921496 /nfs/dbraw/zinc/92/14/96/720921496.db2.gz SUGWXDSEHOTVIE-FREGXXQWSA-N 1 1 499.659 4.692 20 0 JJADMO Fc1ccc2c(Cl)nnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164748045 720925628 /nfs/dbraw/zinc/92/56/28/720925628.db2.gz FJLNYDCHDZUAKS-FQRUVTKNSA-N 1 1 482.003 4.572 20 0 JJADMO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752900 720931163 /nfs/dbraw/zinc/93/11/63/720931163.db2.gz PIGPRRHVHWCZTK-KCWPFWIISA-N 1 1 484.088 4.787 20 0 JJADMO Cc1c(Cl)nc(C2CCC2)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747388 720934299 /nfs/dbraw/zinc/93/42/99/720934299.db2.gz CZEAOYVPIPANSK-HOFKKMOUSA-N 1 1 482.072 4.856 20 0 JJADMO CC(C)(c1ccnc(Cl)c1)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754656 720937402 /nfs/dbraw/zinc/93/74/02/720937402.db2.gz WUDLPVWAPZLKEX-JYFHCDHNSA-N 1 1 455.046 4.616 20 0 JJADMO Fc1ccc2c(Cl)ncnc2c1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754193 720938457 /nfs/dbraw/zinc/93/84/57/720938457.db2.gz UGHQHWDBGFJGDX-IBVKSMDESA-N 1 1 482.003 4.572 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCC4)[C@H]2C ZINC001164856332 721002588 /nfs/dbraw/zinc/00/25/88/721002588.db2.gz BMBLPFROFXIOQJ-IBGZPJMESA-N 1 1 493.725 4.784 20 0 JJADMO Cc1sc2nc(CN3CCCCC3)nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c2c1C ZINC001164856304 721003025 /nfs/dbraw/zinc/00/30/25/721003025.db2.gz AXGLTFHVVWHFBP-IBGZPJMESA-N 1 1 481.714 4.912 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCC4)[C@@H]2C ZINC001164856334 721003407 /nfs/dbraw/zinc/00/34/07/721003407.db2.gz BMBLPFROFXIOQJ-LJQANCHMSA-N 1 1 493.725 4.784 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(-c3cccnc3)nc3sc4c(c31)CCC4)[C@H]2C ZINC001164859747 721003481 /nfs/dbraw/zinc/00/34/81/721003481.db2.gz MIEMWICNRICNSY-KRWDZBQOSA-N 1 1 473.650 4.860 20 0 JJADMO Cc1sc2nc(-c3cccnc3)nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c2c1C ZINC001164864248 721003867 /nfs/dbraw/zinc/00/38/67/721003867.db2.gz ZWSUKQFWDZZJHY-QGZVFWFLSA-N 1 1 461.639 4.988 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)[C@H]2C ZINC001164864173 721005506 /nfs/dbraw/zinc/00/55/06/721005506.db2.gz YRVSRALCNBAQOT-INIZCTEOSA-N 1 1 460.960 4.960 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)[C@H]2C ZINC001164864219 721005627 /nfs/dbraw/zinc/00/56/27/721005627.db2.gz ZVBHCCXEXOOUEN-INIZCTEOSA-N 1 1 460.960 4.960 20 0 JJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN([C@@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)[C@@H]2C ZINC001164857995 721010529 /nfs/dbraw/zinc/01/05/29/721010529.db2.gz FAOZISCAFVTUJE-WAIKUNEKSA-N 1 1 458.969 4.542 20 0 JJADMO COc1cccc(Oc2nc(Cl)ncc2N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c1 ZINC001164858107 721020236 /nfs/dbraw/zinc/02/02/36/721020236.db2.gz GHQZIVLKXBKGCQ-MRXNPFEDSA-N 1 1 456.978 4.549 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)n1 ZINC001164767590 721030996 /nfs/dbraw/zinc/03/09/96/721030996.db2.gz SALSSULXVKXNHX-CUNXSJBXSA-N 1 1 495.693 4.890 20 0 JJADMO CCn1nnc2c1CCN(c1ccc([C@@H]3CCCC[N@H+]3CC)cn1)[C@@H]2COCc1ccccc1 ZINC001164772939 721049248 /nfs/dbraw/zinc/04/92/48/721049248.db2.gz QUOYJLBNYAVXBS-UKILVPOCSA-N 1 1 460.626 4.561 20 0 JJADMO CCn1nnc2c1CCN(c1ccc([C@@H]3CCCC[N@H+]3CC)cn1)[C@H]2COCc1ccccc1 ZINC001164772941 721049387 /nfs/dbraw/zinc/04/93/87/721049387.db2.gz QUOYJLBNYAVXBS-ZCYQVOJMSA-N 1 1 460.626 4.561 20 0 JJADMO Fc1ccccc1-c1nc2ccc(Cl)cc2c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867378 721068803 /nfs/dbraw/zinc/06/88/03/721068803.db2.gz IQYCDBUJCZCRPZ-NHCUHLMSSA-N 1 1 489.982 4.964 20 0 JJADMO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866643 721077742 /nfs/dbraw/zinc/07/77/42/721077742.db2.gz UKFIPFWYPBJUTA-QZTJIDSGSA-N 1 1 479.358 4.961 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5ccccc5)cc(-c5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164763654 721100656 /nfs/dbraw/zinc/10/06/56/721100656.db2.gz GMPIXMRIOLKMNO-JWQCQUIFSA-N 1 1 450.590 4.502 20 0 JJADMO Clc1nc2sc(-c3ccccc3)cc2c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867230 721117969 /nfs/dbraw/zinc/11/79/69/721117969.db2.gz XEMDSIKANXKKJX-PMACEKPBSA-N 1 1 478.021 4.886 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cnc(-c5ccccc5)c(-c5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164772758 721121672 /nfs/dbraw/zinc/12/16/72/721121672.db2.gz WKWZUMQPBILBBD-DQEYMECFSA-N 1 1 450.590 4.502 20 0 JJADMO Clc1ccc(-c2cc3ncnc(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@H]5C4)c3s2)cc1 ZINC001164878437 721142569 /nfs/dbraw/zinc/14/25/69/721142569.db2.gz QCLLJDPUEDWNMH-SFTDATJTSA-N 1 1 478.021 4.886 20 0 JJADMO Cc1nc2scc(-c3cccs3)c2c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164874536 721145053 /nfs/dbraw/zinc/14/50/53/721145053.db2.gz KNLWMCRZMSGKCL-OALUTQOASA-N 1 1 463.632 4.603 20 0 JJADMO Cc1sc2nc(-c3cccs3)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1C ZINC001164874473 721145219 /nfs/dbraw/zinc/14/52/19/721145219.db2.gz KBYKZAPHSNBSKZ-VQTJNVASSA-N 1 1 477.659 4.911 20 0 JJADMO COc1ccc(-c2nc3ccc(Cl)cc3c(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)n2)cc1 ZINC001164762138 721153122 /nfs/dbraw/zinc/15/31/22/721153122.db2.gz CCATUTNQZIATPZ-RTWAWAEBSA-N 1 1 489.023 4.651 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5ccccc5)nc5ccc(Cl)cc54)C[C@H]3C2)cn1 ZINC001164773662 721157020 /nfs/dbraw/zinc/15/70/20/721157020.db2.gz YNYYZERBUJXQOM-NHCUHLMSSA-N 1 1 458.997 4.642 20 0 JJADMO COc1ccc2c(c1)nc(N1C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C1)cc2-c1ccccc1 ZINC001164767566 721199621 /nfs/dbraw/zinc/19/96/21/721199621.db2.gz JZUHTFUJIYZFBZ-GOTSBHOMSA-N 1 1 453.590 4.602 20 0 JJADMO Cc1sc2nc(-c3cccs3)nc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2c1C ZINC001164763372 721200289 /nfs/dbraw/zinc/20/02/89/721200289.db2.gz FQZFWEOZKGBZAY-MOPGFXCFSA-N 1 1 464.664 4.728 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(C5CC5)nc5scc(-c6ccccc6)c54)C[C@H]3C2)cn1 ZINC001164763264 721217963 /nfs/dbraw/zinc/21/79/63/721217963.db2.gz FBKLSJTUVXMNJQ-FGZHOGPDSA-N 1 1 470.646 4.928 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(F)c5)c4)C[C@H]3C2)cn1 ZINC001164773848 721225669 /nfs/dbraw/zinc/22/56/69/721225669.db2.gz XJUQZDLGACZVMD-RBUKOAKNSA-N 1 1 475.946 4.778 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(F)cc5)c4)C[C@@H]3C2)cn1 ZINC001164770798 721225871 /nfs/dbraw/zinc/22/58/71/721225871.db2.gz OMBPSBFESVQETO-OALUTQOASA-N 1 1 475.946 4.778 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(-c5ccc(C6CCCCC6)cc5)nn4)C[C@@H]3C2)cn1 ZINC001164766851 721227307 /nfs/dbraw/zinc/22/73/07/721227307.db2.gz VPEPKSNDDSIHHL-FTJBHMTQSA-N 1 1 456.638 4.883 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(-c5ccc(C6CCCCC6)cc5)nn4)C[C@@H]3C2)cn1 ZINC001164766859 721228615 /nfs/dbraw/zinc/22/86/15/721228615.db2.gz VPEPKSNDDSIHHL-UIOOFZCWSA-N 1 1 456.638 4.883 20 0 JJADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccs5)c4)C[C@@H]3C2)cn1 ZINC001164761466 721249658 /nfs/dbraw/zinc/24/96/58/721249658.db2.gz IMXIDCLBSAKNES-SJORKVTESA-N 1 1 463.985 4.700 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4O[C@H](COc5cccnc5)CC[C@@H]43)c2c1C ZINC001164875005 721251016 /nfs/dbraw/zinc/25/10/16/721251016.db2.gz LGVOSHWUWJVIMY-FKBYEOEOSA-N 1 1 479.650 4.504 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3O[C@@H](COc4cccnc4)CC[C@@H]32)n1 ZINC001164880146 721251297 /nfs/dbraw/zinc/25/12/97/721251297.db2.gz ZXVZQETXVUEKQU-FSSWDIPSSA-N 1 1 481.666 4.750 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4O[C@H](COc5cccnc5)CC[C@H]43)c2c1C ZINC001164875004 721251332 /nfs/dbraw/zinc/25/13/32/721251332.db2.gz LGVOSHWUWJVIMY-BDTNDASRSA-N 1 1 479.650 4.504 20 0 JJADMO O=C(NC[C@H]1CCC[C@]2(CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C2)O1)c1ccccc1 ZINC001164874145 721256146 /nfs/dbraw/zinc/25/61/46/721256146.db2.gz JHEKYKQPTHYERN-DLFZDVPBSA-N 1 1 496.655 4.588 20 0 JJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC3(CCC(=O)N3CC3CC3)CC2)n1 ZINC001164775744 721307435 /nfs/dbraw/zinc/30/74/35/721307435.db2.gz JAVXACDVMXARRS-UHFFFAOYSA-N 1 1 475.662 4.791 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc4cc(F)ccc43)C2)C1 ZINC001164777760 721332467 /nfs/dbraw/zinc/33/24/67/721332467.db2.gz QKVDBFMOTLMSPV-DEOSSOPVSA-N 1 1 458.965 4.751 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(Cl)c4ccccc4n3)C2)C1 ZINC001164778396 721335661 /nfs/dbraw/zinc/33/56/61/721335661.db2.gz VCAPGMRHSQCKDG-HSZRJFAPSA-N 1 1 491.970 4.552 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(Cl)c4ccccc4n3)C2)C1 ZINC001164778396 721335665 /nfs/dbraw/zinc/33/56/65/721335665.db2.gz VCAPGMRHSQCKDG-HSZRJFAPSA-N 1 1 491.970 4.552 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(Cl)c4ccccc4n3)C2)C1 ZINC001164778397 721336157 /nfs/dbraw/zinc/33/61/57/721336157.db2.gz VCAPGMRHSQCKDG-QHCPKHFHSA-N 1 1 491.970 4.552 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(Cl)c4ccccc4n3)C2)C1 ZINC001164778397 721336163 /nfs/dbraw/zinc/33/61/63/721336163.db2.gz VCAPGMRHSQCKDG-QHCPKHFHSA-N 1 1 491.970 4.552 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc(Cl)c3)C2)C1 ZINC001164778644 721336195 /nfs/dbraw/zinc/33/61/95/721336195.db2.gz XWKJXISQNNZLSF-HXUWFJFHSA-N 1 1 475.367 4.657 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc(Cl)c3)C2)C1 ZINC001164778644 721336198 /nfs/dbraw/zinc/33/61/98/721336198.db2.gz XWKJXISQNNZLSF-HXUWFJFHSA-N 1 1 475.367 4.657 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3c(Cl)cc(Cl)nc3Cl)C2)C1 ZINC001164776840 721341967 /nfs/dbraw/zinc/34/19/67/721341967.db2.gz DEWTVPUEGWGMIQ-FQEVSTJZSA-N 1 1 459.805 4.766 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3c(Cl)cc(Cl)nc3Cl)C2)C1 ZINC001164776840 721341971 /nfs/dbraw/zinc/34/19/71/721341971.db2.gz DEWTVPUEGWGMIQ-FQEVSTJZSA-N 1 1 459.805 4.766 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4ccc(C)cc43)C2)C1 ZINC001164778230 721344387 /nfs/dbraw/zinc/34/43/87/721344387.db2.gz LOLUBOJKLULBPB-RUZDIDTESA-N 1 1 455.002 4.920 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc4nc(Cl)cnc4cc3Cl)C2)C1 ZINC001164779045 721347506 /nfs/dbraw/zinc/34/75/06/721347506.db2.gz PMPZDKXHFUDAMC-QHCPKHFHSA-N 1 1 476.408 4.660 20 0 JJADMO O=C1C[C@H]2[C@@H](CCN2c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)N1c1ccsc1 ZINC001164882423 721357559 /nfs/dbraw/zinc/35/75/59/721357559.db2.gz JEESLMGTYZBFMX-MOPGFXCFSA-N 1 1 479.675 4.612 20 0 JJADMO COc1ccc2c(cc(Cl)nc2N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1 ZINC001164780693 721359279 /nfs/dbraw/zinc/35/92/79/721359279.db2.gz GOAJBLVUEIPKDU-VWLOTQADSA-N 1 1 471.001 4.621 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4cc(Cl)c(Cl)cc43)C2)C1 ZINC001164782290 721360713 /nfs/dbraw/zinc/36/07/13/721360713.db2.gz MIMURAWOGPKKKJ-QHCPKHFHSA-N 1 1 476.408 4.660 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(-c4cccc(Cl)c4)nn3)C2)C1 ZINC001164780025 721366786 /nfs/dbraw/zinc/36/67/86/721366786.db2.gz CKIIRCKUANAEMK-RUZDIDTESA-N 1 1 468.001 4.521 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(-c4cccc(Cl)c4)nn3)C2)C1 ZINC001164780025 721366790 /nfs/dbraw/zinc/36/67/90/721366790.db2.gz CKIIRCKUANAEMK-RUZDIDTESA-N 1 1 468.001 4.521 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cccc4c(Cl)ncnc43)C2)C1 ZINC001164780004 721367449 /nfs/dbraw/zinc/36/74/49/721367449.db2.gz BWECLERJGQNHOC-HSZRJFAPSA-N 1 1 491.970 4.552 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cccc4c(Cl)ncnc43)C2)C1 ZINC001164780004 721367451 /nfs/dbraw/zinc/36/74/51/721367451.db2.gz BWECLERJGQNHOC-HSZRJFAPSA-N 1 1 491.970 4.552 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(-c4cccc(Cl)c4)ncn3)C2)C1 ZINC001164787075 721367757 /nfs/dbraw/zinc/36/77/57/721367757.db2.gz YKPCPAOXBPXPBL-RUZDIDTESA-N 1 1 468.001 4.521 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(-c4cccc(Cl)c4)ncn3)C2)C1 ZINC001164787075 721367763 /nfs/dbraw/zinc/36/77/63/721367763.db2.gz YKPCPAOXBPXPBL-RUZDIDTESA-N 1 1 468.001 4.521 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C(C)(C)C)nc(C(C)C)n3)C2)C1 ZINC001164786187 721369783 /nfs/dbraw/zinc/36/97/83/721369783.db2.gz WSKDNAWKPDCMHA-AREMUKBSSA-N 1 1 455.647 4.621 20 0 JJADMO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)nc1 ZINC001164785323 721373945 /nfs/dbraw/zinc/37/39/45/721373945.db2.gz RBZKOJGFYSIZKZ-XCZPVHLTSA-N 1 1 481.685 4.742 20 0 JJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)nc1 ZINC001164785323 721373950 /nfs/dbraw/zinc/37/39/50/721373950.db2.gz RBZKOJGFYSIZKZ-XCZPVHLTSA-N 1 1 481.685 4.742 20 0 JJADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3ccc(C)cc3)C2)C1 ZINC001164780404 721374580 /nfs/dbraw/zinc/37/45/80/721374580.db2.gz GXYCXIQTQFJAQR-AREMUKBSSA-N 1 1 498.027 4.955 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3ccc(C)cc3)C2)C1 ZINC001164780404 721374581 /nfs/dbraw/zinc/37/45/81/721374581.db2.gz GXYCXIQTQFJAQR-AREMUKBSSA-N 1 1 498.027 4.955 20 0 JJADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc4c(F)ccc(F)c34)C2)C1 ZINC001164783740 721376205 /nfs/dbraw/zinc/37/62/05/721376205.db2.gz OMLQAMCFPBPKJB-DEOSSOPVSA-N 1 1 476.955 4.890 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc5cc(OCc6ccccc6)ccc5n4)C3)O2)CC1 ZINC001164887111 721419656 /nfs/dbraw/zinc/41/96/56/721419656.db2.gz LBJSKUGIMRQRFX-BHBYDHKZSA-N 1 1 486.660 4.579 20 0 JJADMO Cc1ccc2nc(-c3ccccc3F)nc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2c1 ZINC001164890525 721419743 /nfs/dbraw/zinc/41/97/43/721419743.db2.gz SZCZRXQPTNONJE-KPURRNSFSA-N 1 1 489.639 4.510 20 0 JJADMO c1csc(C[NH+]2C[C@@H]3CN(c4nc(CN5CCCCC5)nc5sc6c(c54)CCCC6)C[C@H]3C2)n1 ZINC001164784383 721426499 /nfs/dbraw/zinc/42/64/99/721426499.db2.gz LJAHALMZNSDULQ-RTBURBONSA-N 1 1 494.734 4.581 20 0 JJADMO c1csc(-c2nc3sc4c(c3c(N3C[C@@H]5C[N@H+](Cc6nccs6)C[C@@H]5C3)n2)CCC4)c1 ZINC001164789771 721426830 /nfs/dbraw/zinc/42/68/30/721426830.db2.gz XCFKFAKAVZFJCS-GASCZTMLSA-N 1 1 465.673 4.933 20 0 JJADMO c1csc(-c2nc3sc4c(c3c(N3C[C@@H]5C[N@@H+](Cc6nccs6)C[C@@H]5C3)n2)CCC4)c1 ZINC001164789771 721426831 /nfs/dbraw/zinc/42/68/31/721426831.db2.gz XCFKFAKAVZFJCS-GASCZTMLSA-N 1 1 465.673 4.933 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc5ccc(Cl)cc5c(-c5ccccc5)n4)C3)O2)CC1 ZINC001164898360 721433252 /nfs/dbraw/zinc/43/32/52/721433252.db2.gz VUHVOYDOSRINJE-LXFBAYGMSA-N 1 1 492.067 4.716 20 0 JJADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(-c5ccccc5)nc(-c5cccs5)n4)C3)O2)CC1 ZINC001164897375 721440348 /nfs/dbraw/zinc/44/03/48/721440348.db2.gz TWSBSZJGEXAZEA-NEKDWFFYSA-N 1 1 489.689 4.638 20 0 JJADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(-c5ccccc5)nc(-c5cccs5)n4)C3)O2)CC1 ZINC001164897379 721440673 /nfs/dbraw/zinc/44/06/73/721440673.db2.gz TWSBSZJGEXAZEA-QDPGVEIFSA-N 1 1 489.689 4.638 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cc3cc(F)ccc31)CC2 ZINC001164787637 721448303 /nfs/dbraw/zinc/44/83/03/721448303.db2.gz OWTRIKXPAXWKKH-OAQYLSRUSA-N 1 1 462.009 4.761 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)cnc1Cl)CC2 ZINC001164788595 721451834 /nfs/dbraw/zinc/45/18/34/721451834.db2.gz RQNJALQUXNEWDE-SFHVURJKSA-N 1 1 478.411 4.667 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3cc(Cl)ccc31)CC2 ZINC001164788601 721459448 /nfs/dbraw/zinc/45/94/48/721459448.db2.gz URCHYECJVSXOTE-LJQANCHMSA-N 1 1 479.452 4.671 20 0 JJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(CCN(Cc4csc(C)n4)C3=O)C2)nc1 ZINC001164887947 721461984 /nfs/dbraw/zinc/46/19/84/721461984.db2.gz LBNMKAJFMWEOEL-JYFHCDHNSA-N 1 1 467.683 4.803 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3ccccc3Cl)nn1)CC2 ZINC001164782841 721463022 /nfs/dbraw/zinc/46/30/22/721463022.db2.gz CYSDVLAIHCFHLA-NRFANRHFSA-N 1 1 471.045 4.531 20 0 JJADMO CC(C)C(=O)N1CC[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)CC[C@H]21 ZINC001164889034 721465429 /nfs/dbraw/zinc/46/54/29/721465429.db2.gz HDHQISCMURABGZ-PZJWPPBQSA-N 1 1 481.710 4.639 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(SCc3ccccc3)n1)CC2 ZINC001164790041 721470710 /nfs/dbraw/zinc/47/07/10/721470710.db2.gz QEKAMMZJWYTWIF-XMMPIXPASA-N 1 1 482.694 4.503 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccnc(CSc3ccccc3)n1)CC2 ZINC001164789980 721471696 /nfs/dbraw/zinc/47/16/96/721471696.db2.gz PRQBUWHYZJEOCS-HSZRJFAPSA-N 1 1 482.694 4.503 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cnc(Cl)nc1Oc1ccccc1)CC2 ZINC001164791674 721473373 /nfs/dbraw/zinc/47/33/73/721473373.db2.gz XKVXIVCUTSHIFA-OAQYLSRUSA-N 1 1 487.044 4.656 20 0 JJADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)CC2 ZINC001164789880 721473831 /nfs/dbraw/zinc/47/38/31/721473831.db2.gz OYKBXFSEJCBWDS-NRFANRHFSA-N 1 1 484.031 4.589 20 0 JJADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)nc3c1CCC3)CC2 ZINC001164788844 721473896 /nfs/dbraw/zinc/47/38/96/721473896.db2.gz LSUYTTNIARBFCU-LJQANCHMSA-N 1 1 484.031 4.503 20 0 JJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(C(=O)NCc3ccccc3)cc(Cl)n1)CC2 ZINC001164792068 721492208 /nfs/dbraw/zinc/49/22/08/721492208.db2.gz GDSWHWJABFVEAX-UHFFFAOYSA-N 1 1 490.051 4.941 20 0 JJADMO CNC(=O)N[C@@H]1CC2(CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC2)c2ccc(C)cc21 ZINC001164901522 721492699 /nfs/dbraw/zinc/49/26/99/721492699.db2.gz WBWFGZGMIUDOCT-JOCHJYFZSA-N 1 1 468.045 4.551 20 0 JJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)Oc1ccc3c(Cl)ncnc3c1)CC2 ZINC001164796335 721498625 /nfs/dbraw/zinc/49/86/25/721498625.db2.gz QKNKTKNKTJNBPB-UHFFFAOYSA-N 1 1 473.955 4.984 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CCC(=O)N3Cc3ccncc3)CC2)n1 ZINC001164900345 721506628 /nfs/dbraw/zinc/50/66/28/721506628.db2.gz QUCHIVTXFSQWID-UHFFFAOYSA-N 1 1 492.693 4.707 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccc3F)nc3ccc(F)cc32)[C@@H]2CCCO[C@H]21 ZINC001164805157 721541247 /nfs/dbraw/zinc/54/12/47/721541247.db2.gz KZMIOEDNYQNHMN-TWJOJJKGSA-N 1 1 487.554 4.838 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccc3F)nc3ccc(F)cc32)[C@@H]2CCCO[C@H]21 ZINC001164805157 721541253 /nfs/dbraw/zinc/54/12/53/721541253.db2.gz KZMIOEDNYQNHMN-TWJOJJKGSA-N 1 1 487.554 4.838 20 0 JJADMO COc1ccc(-c2nc3ccc(F)cc3c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)n2)cc1 ZINC001164808358 721541309 /nfs/dbraw/zinc/54/13/09/721541309.db2.gz RPVSARCKAMMSMQ-KWXIBIRDSA-N 1 1 499.590 4.708 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)nc(Cl)c(Cl)c2Cl)[C@@H]2CCCO[C@H]21 ZINC001164805186 721542676 /nfs/dbraw/zinc/54/26/76/721542676.db2.gz LBIKMCGMRPBPRS-PBFPGSCMSA-N 1 1 462.208 4.958 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)nc(Cl)c(Cl)c2Cl)[C@@H]2CCCO[C@H]21 ZINC001164805186 721542679 /nfs/dbraw/zinc/54/26/79/721542679.db2.gz LBIKMCGMRPBPRS-PBFPGSCMSA-N 1 1 462.208 4.958 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccc3)nc3ccccc32)[C@@H]2CCCO[C@@H]12 ZINC001164809573 721546717 /nfs/dbraw/zinc/54/67/17/721546717.db2.gz VLHDCFCTQTWYRL-TWJOJJKGSA-N 1 1 451.574 4.560 20 0 JJADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4ccc(-c5ccc(C6OCCCO6)cc5)cn4)CC[N@H+]3C2)c1 ZINC001164911938 721547406 /nfs/dbraw/zinc/54/74/06/721547406.db2.gz XORSCQCUODHQEA-RSXGOPAZSA-N 1 1 475.564 4.665 20 0 JJADMO Cc1ccc(-c2csc3ncnc(N4C[C@H]([N@H+](C)Cc5cccnc5)[C@@H]5OCCC[C@@H]54)c23)cc1 ZINC001164805214 721547373 /nfs/dbraw/zinc/54/73/73/721547373.db2.gz LFORTMZELKUYAP-SONWIMMPSA-N 1 1 471.630 4.930 20 0 JJADMO Cc1ccc(-c2csc3ncnc(N4C[C@H]([N@@H+](C)Cc5cccnc5)[C@@H]5OCCC[C@@H]54)c23)cc1 ZINC001164805214 721547376 /nfs/dbraw/zinc/54/73/76/721547376.db2.gz LFORTMZELKUYAP-SONWIMMPSA-N 1 1 471.630 4.930 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ccc(Cl)nc3c2)[C@@H]2CCCO[C@@H]12 ZINC001164799876 721547743 /nfs/dbraw/zinc/54/77/43/721547743.db2.gz BNMDECYWEBAIRB-MQSCRBSSSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ccc(Cl)nc3c2)[C@@H]2CCCO[C@@H]12 ZINC001164799876 721547747 /nfs/dbraw/zinc/54/77/47/721547747.db2.gz BNMDECYWEBAIRB-MQSCRBSSSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ccc(Cl)nc3c2)[C@@H]2CCCO[C@H]12 ZINC001164799879 721548040 /nfs/dbraw/zinc/54/80/40/721548040.db2.gz BNMDECYWEBAIRB-XPNTWCBSSA-N 1 1 458.940 4.696 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ccc(Cl)nc3c2)[C@@H]2CCCO[C@H]12 ZINC001164799879 721548042 /nfs/dbraw/zinc/54/80/42/721548042.db2.gz BNMDECYWEBAIRB-XPNTWCBSSA-N 1 1 458.940 4.696 20 0 JJADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4cc(F)ccc4Oc4ccc(Cl)nn4)CC[N@H+]3C2)c1 ZINC001164906589 721553329 /nfs/dbraw/zinc/55/33/29/721553329.db2.gz KDFXYNJRRHPSJX-PKOBYXMFSA-N 1 1 458.896 4.542 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)[C@@H]2CCCO[C@H]12 ZINC001164809416 721559502 /nfs/dbraw/zinc/55/95/02/721559502.db2.gz XEBBSJNUUZFLAR-GGPKGHCWSA-N 1 1 494.373 4.745 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)[C@@H]2CCCO[C@H]12 ZINC001164809416 721559505 /nfs/dbraw/zinc/55/95/05/721559505.db2.gz XEBBSJNUUZFLAR-GGPKGHCWSA-N 1 1 494.373 4.745 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)[C@@H]2CCCO[C@@H]12 ZINC001164802327 721560281 /nfs/dbraw/zinc/56/02/81/721560281.db2.gz IBYMPASVKCAJHH-VAMGGRTRSA-N 1 1 494.373 4.745 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)[C@@H]2CCCO[C@@H]12 ZINC001164802327 721560284 /nfs/dbraw/zinc/56/02/84/721560284.db2.gz IBYMPASVKCAJHH-VAMGGRTRSA-N 1 1 494.373 4.745 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(-c3ccccc3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164800303 721564600 /nfs/dbraw/zinc/56/46/00/721564600.db2.gz DQPDYSSOHBBHLC-TXTKFYIRSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(-c3ccccc3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164800303 721564604 /nfs/dbraw/zinc/56/46/04/721564604.db2.gz DQPDYSSOHBBHLC-TXTKFYIRSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(-c3cccs3)nnc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164799260 721580342 /nfs/dbraw/zinc/58/03/42/721580342.db2.gz AFKSSLZHXKEGAP-QKNQBKEWSA-N 1 1 491.995 4.667 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(-c3cccs3)nnc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164799260 721580345 /nfs/dbraw/zinc/58/03/45/721580345.db2.gz AFKSSLZHXKEGAP-QKNQBKEWSA-N 1 1 491.995 4.667 20 0 JJADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)[C@@H]2CCCO[C@@H]12 ZINC001164805825 721586210 /nfs/dbraw/zinc/58/62/10/721586210.db2.gz LZBCULMNLSCIPE-DNVJHFABSA-N 1 1 485.966 4.605 20 0 JJADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)[C@@H]2CCCO[C@@H]12 ZINC001164805825 721586214 /nfs/dbraw/zinc/58/62/14/721586214.db2.gz LZBCULMNLSCIPE-DNVJHFABSA-N 1 1 485.966 4.605 20 0 JJADMO C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCn5cnc(COCC6CC6)c5C4)c23)C1 ZINC001164805005 721599983 /nfs/dbraw/zinc/59/99/83/721599983.db2.gz ZIVJZHQPVAJZHZ-SFHVURJKSA-N 1 1 492.693 4.555 20 0 JJADMO FC1(F)CCN(c2nc(Cl)ncc2OCc2ccccc2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907841 721706420 /nfs/dbraw/zinc/70/64/20/721706420.db2.gz UNGIBBGIDSCIEZ-XMMPIXPASA-N 1 1 485.966 4.842 20 0 JJADMO FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904197 721713210 /nfs/dbraw/zinc/71/32/10/721713210.db2.gz AMBSQFMWXOAQTR-NRFANRHFSA-N 1 1 479.909 4.961 20 0 JJADMO Fc1cccc(Oc2nc(Cl)nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)c1 ZINC001164906579 721714275 /nfs/dbraw/zinc/71/42/75/721714275.db2.gz NAKMLWDLZDUEST-JOCHJYFZSA-N 1 1 490.917 4.589 20 0 JJADMO O=C(c1ccccc1)n1ccc2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc21 ZINC001164907377 721720534 /nfs/dbraw/zinc/72/05/34/721720534.db2.gz RHRNCBORYKYVOT-HHHXNRCGSA-N 1 1 487.554 4.858 20 0 JJADMO CC(C)(C)c1noc(-c2ccnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2)n1 ZINC001164908905 721721006 /nfs/dbraw/zinc/72/10/06/721721006.db2.gz ZKJUQBWKLIPYOI-XMMPIXPASA-N 1 1 468.552 4.562 20 0 JJADMO FC1(F)CCN(c2nc(-c3cccnc3)nc3ccccc32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906900 721723094 /nfs/dbraw/zinc/72/30/94/721723094.db2.gz OXBPFEAFURELRL-SANMLTNESA-N 1 1 472.543 4.825 20 0 JJADMO FC1(F)CCN(c2cc(-c3cccc(Cl)c3)ncn2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164911834 721727168 /nfs/dbraw/zinc/72/71/68/721727168.db2.gz KWDARJNECRUKEV-HSZRJFAPSA-N 1 1 455.940 4.930 20 0 JJADMO FC1(F)CCN(C(Cl)(Cl)Oc2ccc(Cl)nc2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164910865 721738734 /nfs/dbraw/zinc/73/87/34/721738734.db2.gz HYZTYUSHHWEDPA-GOSISDBHSA-N 1 1 477.770 4.831 20 0 JJADMO FC1(F)CCN(C(Cl)(Cl)Oc2ccc(Cl)nc2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164910865 721738738 /nfs/dbraw/zinc/73/87/38/721738738.db2.gz HYZTYUSHHWEDPA-GOSISDBHSA-N 1 1 477.770 4.831 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3c(Cl)nc(Cl)nc31)C2 ZINC001164909420 721750066 /nfs/dbraw/zinc/75/00/66/721750066.db2.gz SCYBKLYLGUUBPZ-UHFFFAOYSA-N 1 1 490.782 4.563 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3c(Cl)nc(Cl)nc31)C2 ZINC001164909420 721750073 /nfs/dbraw/zinc/75/00/73/721750073.db2.gz SCYBKLYLGUUBPZ-UHFFFAOYSA-N 1 1 490.782 4.563 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)cc(Cc3ccccc3)n1)C2 ZINC001164911862 721758946 /nfs/dbraw/zinc/75/89/46/721758946.db2.gz ZTOIUNXGMDNPLJ-UHFFFAOYSA-N 1 1 459.981 4.904 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)cc(Cc3ccccc3)n1)C2 ZINC001164911862 721758951 /nfs/dbraw/zinc/75/89/51/721758951.db2.gz ZTOIUNXGMDNPLJ-UHFFFAOYSA-N 1 1 459.981 4.904 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc(C(=O)N3CCCCC3)cc1Cl)C2 ZINC001164911707 721761577 /nfs/dbraw/zinc/76/15/77/721761577.db2.gz RAQPVOYYUMUGOM-UHFFFAOYSA-N 1 1 480.012 4.544 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc(C(=O)N3CCCCC3)cc1Cl)C2 ZINC001164911707 721761582 /nfs/dbraw/zinc/76/15/82/721761582.db2.gz RAQPVOYYUMUGOM-UHFFFAOYSA-N 1 1 480.012 4.544 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(C3CC3)nnc1Cl)C2 ZINC001164912553 721761956 /nfs/dbraw/zinc/76/19/56/721761956.db2.gz ZLYVONKPMBHFSM-UHFFFAOYSA-N 1 1 459.928 4.735 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(C3CC3)nnc1Cl)C2 ZINC001164912553 721761960 /nfs/dbraw/zinc/76/19/60/721761960.db2.gz ZLYVONKPMBHFSM-UHFFFAOYSA-N 1 1 459.928 4.735 20 0 JJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)COC(=O)Nc1cccnc1Cl)C2 ZINC001164910842 721764754 /nfs/dbraw/zinc/76/47/54/721764754.db2.gz LNMJIHPKGOJKBS-UHFFFAOYSA-N 1 1 491.926 4.555 20 0 JJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)COC(=O)Nc1cccnc1Cl)C2 ZINC001164910842 721764756 /nfs/dbraw/zinc/76/47/56/721764756.db2.gz LNMJIHPKGOJKBS-UHFFFAOYSA-N 1 1 491.926 4.555 20 0 JJADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCc5ncnc(C6CC6)c5CC3)n2)CCC4)CC1 ZINC001164914275 721804054 /nfs/dbraw/zinc/80/40/54/721804054.db2.gz BQAVYCQGLQZOMA-UHFFFAOYSA-N 1 1 474.678 4.685 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)C[C@H]21 ZINC001165027228 721806874 /nfs/dbraw/zinc/80/68/74/721806874.db2.gz UOAIHIPZTUHPDE-POGFHVCPSA-N 1 1 489.067 4.778 20 0 JJADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165026441 721809362 /nfs/dbraw/zinc/80/93/62/721809362.db2.gz QIKQIYKLAXUDNF-NYVOZVTQSA-N 1 1 477.634 4.514 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCO[C@@H]4[C@@H](COCc5nccs5)CC[C@H]43)c2c1C ZINC001164916286 721810922 /nfs/dbraw/zinc/81/09/22/721810922.db2.gz GKNYBWMOMJOTJD-DNVFCKCGSA-N 1 1 499.706 4.561 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)nc1 ZINC001164915496 721811401 /nfs/dbraw/zinc/81/14/01/721811401.db2.gz BDPBZWMYDIQSEI-NMOFPLQQSA-N 1 1 456.656 4.676 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)nc1 ZINC001164915497 721811570 /nfs/dbraw/zinc/81/15/70/721811570.db2.gz BDPBZWMYDIQSEI-XOEOCAAJSA-N 1 1 456.656 4.676 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)ncc3OCc3ccccc3)C[C@@H]21 ZINC001165026801 721813556 /nfs/dbraw/zinc/81/35/56/721813556.db2.gz RFZAWXFWZDMAGZ-AKIFATBCSA-N 1 1 464.013 4.841 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3ccn4Cc3ccccc3)C[C@H]21 ZINC001165029375 721814812 /nfs/dbraw/zinc/81/48/12/721814812.db2.gz YUJJWTWWKWFPIW-HDYLNDSGSA-N 1 1 452.606 4.612 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3ccn4Cc3ccccc3)C[C@H]21 ZINC001165029368 721814858 /nfs/dbraw/zinc/81/48/58/721814858.db2.gz YUJJWTWWKWFPIW-DNRSQYFGSA-N 1 1 452.606 4.612 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3ccn4Cc3ccc(F)cc3)C[C@@H]21 ZINC001165029007 721814994 /nfs/dbraw/zinc/81/49/94/721814994.db2.gz YPHSXYUJYIJSLO-QGUKFAFCSA-N 1 1 470.596 4.751 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc(Oc4ccc(F)cc4)n3)C[C@@H]21 ZINC001165022760 721816966 /nfs/dbraw/zinc/81/69/66/721816966.db2.gz HDBZWQYGIMMYJQ-ORYQWCPZSA-N 1 1 468.964 4.588 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)C[C@H]21 ZINC001165030552 721820851 /nfs/dbraw/zinc/82/08/51/721820851.db2.gz ZTSWBXLACAFKEK-DJIMGWMZSA-N 1 1 456.368 4.546 20 0 JJADMO CCOC(=O)c1ccc2nc(Cl)nc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001165025132 721822003 /nfs/dbraw/zinc/82/20/03/721822003.db2.gz LTYSAGWXNUFFNO-QTGUNEKASA-N 1 1 480.012 4.592 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)nc(-c4cccnc4)n3)C[C@H]21 ZINC001165020673 721822523 /nfs/dbraw/zinc/82/25/23/721822523.db2.gz DDUZCDNBPWYKHU-CEWLAPEOSA-N 1 1 484.982 4.869 20 0 JJADMO CCOC(=O)c1sc2nc(C)nc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1C ZINC001165028898 721822926 /nfs/dbraw/zinc/82/29/26/721822926.db2.gz VVIOMEBAAMYILP-CEWLAPEOSA-N 1 1 479.650 4.617 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(C(=O)NC4CCCC4)cc3Cl)C[C@@H]21 ZINC001165019168 721825120 /nfs/dbraw/zinc/82/51/20/721825120.db2.gz BGAIDFXNIMQNKJ-JKFKMHIGSA-N 1 1 468.045 4.539 20 0 JJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(C(=O)OC(C)(C)C)cc3Cl)C[C@H]21 ZINC001165022262 721829623 /nfs/dbraw/zinc/82/96/23/721829623.db2.gz GVCCNCBUQPCALS-UCNVEGJOSA-N 1 1 457.018 4.822 20 0 JJADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2ccc3nc(Cl)cnc3c2)CC1 ZINC001165022448 721840473 /nfs/dbraw/zinc/84/04/73/721840473.db2.gz SWGDEWRCJFCFBC-UHFFFAOYSA-N 1 1 476.955 4.946 20 0 JJADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2nc3ccccc3nc2Cl)CC1 ZINC001165021215 721842055 /nfs/dbraw/zinc/84/20/55/721842055.db2.gz IEKRFCYILSYTFQ-UHFFFAOYSA-N 1 1 476.955 4.946 20 0 JJADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2cccc3c(Cl)ncnc32)CC1 ZINC001165022655 721843848 /nfs/dbraw/zinc/84/38/48/721843848.db2.gz RCNXHBIEAUQYRY-UHFFFAOYSA-N 1 1 476.955 4.946 20 0 JJADMO COc1cc(Oc2ccnc(N3CC[C@@H]4[C@H]3CC[N@@H+]4CCN(C)C)c2)ccc1OCc1ccccc1 ZINC001164925963 721874491 /nfs/dbraw/zinc/87/44/91/721874491.db2.gz PHVZCFDGWSSWRJ-CLJLJLNGSA-N 1 1 488.632 4.676 20 0 JJADMO COc1cc(Oc2ccnc(N3CC[C@@H]4[C@H]3CC[N@H+]4CCN(C)C)c2)ccc1OCc1ccccc1 ZINC001164925963 721874493 /nfs/dbraw/zinc/87/44/93/721874493.db2.gz PHVZCFDGWSSWRJ-CLJLJLNGSA-N 1 1 488.632 4.676 20 0 JJADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(-c2cccnc2)nc2sc(-c3ccccc3)cc21 ZINC001164930965 721880028 /nfs/dbraw/zinc/88/00/28/721880028.db2.gz DPOONVBQEKRUJL-GOTSBHOMSA-N 1 1 470.646 4.635 20 0 JJADMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(-c2cccnc2)nc2sc(-c3ccccc3)cc21 ZINC001164930965 721880030 /nfs/dbraw/zinc/88/00/30/721880030.db2.gz DPOONVBQEKRUJL-GOTSBHOMSA-N 1 1 470.646 4.635 20 0 JJADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(-c2cccnc2)nc2sc(-c3ccccc3)cc21 ZINC001164930967 721880239 /nfs/dbraw/zinc/88/02/39/721880239.db2.gz DPOONVBQEKRUJL-XZOQPEGZSA-N 1 1 470.646 4.635 20 0 JJADMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(-c2cccnc2)nc2sc(-c3ccccc3)cc21 ZINC001164930967 721880242 /nfs/dbraw/zinc/88/02/42/721880242.db2.gz DPOONVBQEKRUJL-XZOQPEGZSA-N 1 1 470.646 4.635 20 0 JJADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164938964 721925535 /nfs/dbraw/zinc/92/55/35/721925535.db2.gz DSPRNUSXPLJBRK-UHFFFAOYSA-N 1 1 495.023 4.640 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nccc(-c5c[nH]c6ccccc65)n4)CC3)C2)cc1 ZINC001164939732 721926174 /nfs/dbraw/zinc/92/61/74/721926174.db2.gz MEEXDNMSVRSKFK-UHFFFAOYSA-N 1 1 453.590 4.805 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(C(=O)Nc5ccccc5)ccn4)CC3)C2)cc1 ZINC001164939706 721926674 /nfs/dbraw/zinc/92/66/74/721926674.db2.gz LKSBYUWNJKINCU-UHFFFAOYSA-N 1 1 456.590 4.514 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncnc5c4ccn5Cc4ccccc4)CC3)C2)cc1 ZINC001164941036 721927468 /nfs/dbraw/zinc/92/74/68/721927468.db2.gz ZEXCMKJANMLBKU-UHFFFAOYSA-N 1 1 467.617 4.659 20 0 JJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(-c5ccccn5)nc5ccccc54)CC3)C2)cc1 ZINC001164940631 721931343 /nfs/dbraw/zinc/93/13/43/721931343.db2.gz VBAZGZZCXMPYIY-UHFFFAOYSA-N 1 1 465.601 4.872 20 0 JJADMO COC(=O)c1cc(C(F)(F)N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cnc1Cl ZINC001165044159 721940109 /nfs/dbraw/zinc/94/01/09/721940109.db2.gz KYYLXIRCFSDJPG-UHFFFAOYSA-N 1 1 467.303 4.595 20 0 JJADMO COC(=O)CCN(Cc1ccco1)c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC001165046658 721982978 /nfs/dbraw/zinc/98/29/78/721982978.db2.gz AHBWGHVMJTVNLM-UHFFFAOYSA-N 1 1 450.564 4.583 20 0 JJADMO COC[C@]12COC[C@H]1CN(c1nc(C[NH+]3CCC(C)CC3)nc3scc(-c4cccs4)c31)C2 ZINC001164948189 721995178 /nfs/dbraw/zinc/99/51/78/721995178.db2.gz FBHOZHDSGFNRNU-IQGLISFBSA-N 1 1 484.691 4.751 20 0 JJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3ccc(=O)n(Cc4csc(C)n4)c3CC2)nc1 ZINC001164949958 722007285 /nfs/dbraw/zinc/00/72/85/722007285.db2.gz AUKHBWJYMVYNJT-XMMPIXPASA-N 1 1 477.678 4.599 20 0 JJADMO O=C(NCc1ccccc1)c1cc(Cl)nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164951715 722014455 /nfs/dbraw/zinc/01/44/55/722014455.db2.gz COBCYTZMZAQXEM-UHFFFAOYSA-N 1 1 476.024 4.553 20 0 JJADMO COC(=O)c1ccc(-c2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc2C)cc1 ZINC001164955667 722021409 /nfs/dbraw/zinc/02/14/09/722021409.db2.gz MOQXTVFHEMZAPB-UHFFFAOYSA-N 1 1 456.590 4.731 20 0 JJADMO C[C@H]1CCCCN1c1nc2ccccc2nc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955248 722021640 /nfs/dbraw/zinc/02/16/40/722021640.db2.gz BWMFBLGRWAWVOS-QFIPXVFZSA-N 1 1 456.638 4.896 20 0 JJADMO O=C(Nc1cccc(Cl)c1)c1ccc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001164955655 722021922 /nfs/dbraw/zinc/02/19/22/722021922.db2.gz MEQXCUMEFFJGQS-UHFFFAOYSA-N 1 1 461.997 4.875 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCO[C@@H]4[C@H](Oc5ncccc5F)CC[C@@H]43)c2c1C ZINC001164958342 722029601 /nfs/dbraw/zinc/02/96/01/722029601.db2.gz ONOCDIHZWYNKRT-MZKRTTBSSA-N 1 1 497.640 4.643 20 0 JJADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCC(c3nc4ccc(-c5cccnc5)cn4n3)CC2)n1 ZINC001164961444 722049838 /nfs/dbraw/zinc/04/98/38/722049838.db2.gz ZNRVQMQXNZTQKF-UHFFFAOYSA-N 1 1 474.012 4.820 20 0 JJADMO c1ccc(-c2nc3ccccc3c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n2)cc1 ZINC001164962175 722054657 /nfs/dbraw/zinc/05/46/57/722054657.db2.gz AJJBEMZSUIXMGD-UHFFFAOYSA-N 1 1 465.601 4.811 20 0 JJADMO FC(F)(c1cccc2ccnc(Cl)c21)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164964152 722057278 /nfs/dbraw/zinc/05/72/78/722057278.db2.gz SDMAUIXLYZFLFH-UHFFFAOYSA-N 1 1 472.967 4.947 20 0 JJADMO c1ccc(Cc2nnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c3ccccc23)cc1 ZINC001164962351 722059460 /nfs/dbraw/zinc/05/94/60/722059460.db2.gz RIGCXGSVDZMOLD-UHFFFAOYSA-N 1 1 479.628 4.735 20 0 JJADMO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c12 ZINC001164959956 722059875 /nfs/dbraw/zinc/05/98/75/722059875.db2.gz AKBHLAGPALWMRE-UHFFFAOYSA-N 1 1 496.659 4.610 20 0 JJADMO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164961704 722060100 /nfs/dbraw/zinc/06/01/00/722060100.db2.gz OKEIINMKASXHKO-UHFFFAOYSA-N 1 1 499.993 4.856 20 0 JJADMO c1sc2nc(-c3ccccn3)nc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c2c1-c1ccccc1 ZINC001164966891 722075796 /nfs/dbraw/zinc/07/57/96/722075796.db2.gz GXNKXDYUENSOCY-OYRHEFFESA-N 1 1 469.614 4.720 20 0 JJADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC4(CC3)Cc3ccccc3CNC4=O)c2c1C ZINC001164968122 722078467 /nfs/dbraw/zinc/07/84/67/722078467.db2.gz RJQCPCHUCMMQTP-UHFFFAOYSA-N 1 1 489.689 4.753 20 0 JJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCc3onc(COc4ccccn4)c3C2)n1 ZINC001164968429 722082995 /nfs/dbraw/zinc/08/29/95/722082995.db2.gz CRGXVTCUQIWNSG-UHFFFAOYSA-N 1 1 478.622 4.675 20 0 JJADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@@H]5CC(C(=O)NC6CCC6)C[C@H]5C3)n2)CCC4)CC1 ZINC001164976759 722085594 /nfs/dbraw/zinc/08/55/94/722085594.db2.gz WMZTYPYQYSQUQL-PMACEKPBSA-N 1 1 493.721 4.543 20 0 JJADMO c1csc(-c2csc3ncnc(N4CC[C@@H]5C[N@@H+](Cc6cccnc6)CCO[C@H]5C4)c23)c1 ZINC001164979113 722107813 /nfs/dbraw/zinc/10/78/13/722107813.db2.gz HBYAMRQMWIUATM-QUCCMNQESA-N 1 1 463.632 4.542 20 0 JJADMO Clc1nc(Cl)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1Cl ZINC001164979202 722108186 /nfs/dbraw/zinc/10/81/86/722108186.db2.gz PNNUDXAVSNBRKQ-KGLIPLIRSA-N 1 1 462.208 4.818 20 0 JJADMO FC(F)(c1ccc2ccc(Cl)nc2c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971023 722111398 /nfs/dbraw/zinc/11/13/98/722111398.db2.gz BBZIBHHGUCJEMW-KNQAVFIVSA-N 1 1 458.940 4.555 20 0 JJADMO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164977430 722111721 /nfs/dbraw/zinc/11/17/21/722111721.db2.gz NBOCDJWJWYICLB-KNQAVFIVSA-N 1 1 458.940 4.555 20 0 JJADMO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976323 722123562 /nfs/dbraw/zinc/12/35/62/722123562.db2.gz LEVIVFSOEHRJBM-LPHOPBHVSA-N 1 1 494.373 4.604 20 0 JJADMO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973195 722123697 /nfs/dbraw/zinc/12/36/97/722123697.db2.gz GWCOSTLKSQNVOC-OXQOHEQNSA-N 1 1 494.373 4.604 20 0 JJADMO Cc1ccc2nc(-c3ccccc3F)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164980449 722125626 /nfs/dbraw/zinc/12/56/26/722125626.db2.gz REWDLKSZGNYJJL-AMGIVPHBSA-N 1 1 483.591 4.867 20 0 JJADMO Cc1sc2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1-c1ccccc1 ZINC001164983322 722141902 /nfs/dbraw/zinc/14/19/02/722141902.db2.gz UCNXKVHZNLULPX-XZOQPEGZSA-N 1 1 471.630 4.789 20 0 JJADMO c1csc(-c2nc(-c3ccccc3)cc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164984941 722147241 /nfs/dbraw/zinc/14/72/41/722147241.db2.gz YLOFOTDLRQEFJS-ILBGXUMGSA-N 1 1 483.641 4.994 20 0 JJADMO Fc1ccc(-c2nc(Cl)cc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1Cl ZINC001164972151 722152924 /nfs/dbraw/zinc/15/29/24/722152924.db2.gz GAPOIMGERAVSBL-NQIIRXRSSA-N 1 1 488.394 4.712 20 0 JJADMO CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164973004 722155668 /nfs/dbraw/zinc/15/56/68/722155668.db2.gz JRXNCSQAYWFLEC-URXFXBBRSA-N 1 1 480.012 4.607 20 0 JJADMO CN(C)C(=O)c1cc2cnc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc2n1C1CCCC1 ZINC001164995388 722199865 /nfs/dbraw/zinc/19/98/65/722199865.db2.gz NEJBAHFOCQIRHO-NDEPHWFRSA-N 1 1 490.627 4.632 20 0 JJADMO Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c2c1C ZINC001164994014 722208504 /nfs/dbraw/zinc/20/85/04/722208504.db2.gz CPUCTWDZABZLHQ-MHZLTWQESA-N 1 1 495.668 4.524 20 0 JJADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(C(F)(F)Cc2nc4c(ncnc4Cl)s2)C3)c1 ZINC001164995281 722214013 /nfs/dbraw/zinc/21/40/13/722214013.db2.gz HYGONVFSXIMYLN-FQEVSTJZSA-N 1 1 467.948 4.755 20 0 JJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(C(F)(F)Cc2nc4c(ncnc4Cl)s2)C3)c1 ZINC001164995281 722214014 /nfs/dbraw/zinc/21/40/14/722214014.db2.gz HYGONVFSXIMYLN-FQEVSTJZSA-N 1 1 467.948 4.755 20 0 JJADMO