smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(Cl)nc4c3CC[NH2+]C4)CC2)c2ccccc21 ZINC001164680285 719660393 /nfs/dbraw/zinc/66/03/93/719660393.db2.gz DUXBNYNIWSDFMT-SFHVURJKSA-N 2 0 483.060 2.869 20 0 JFADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)CC2 ZINC001164714839 720134835 /nfs/dbraw/zinc/13/48/35/720134835.db2.gz ZTYFFEJTXAWUDC-QHCPKHFHSA-N 3 0 450.631 2.912 20 0 JFADRP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc1 ZINC001164718277 720204129 /nfs/dbraw/zinc/20/41/29/720204129.db2.gz ZGFBWRDJOWHTBI-GMAHTHKFSA-N 2 0 453.635 2.973 20 0 JFADRP C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2)CC1 ZINC001164748176 720855997 /nfs/dbraw/zinc/85/59/97/720855997.db2.gz KWFPSXUYQURKGC-PQNGQFLHSA-N 2 0 451.619 2.526 20 0 JFADRP [NH3+]C1CCN(c2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)CC1 ZINC001164756588 720897831 /nfs/dbraw/zinc/89/78/31/720897831.db2.gz QRPGOPVOFRSBQG-KCWPFWIISA-N 2 0 477.657 2.554 20 0 JFADRP [NH3+]C1CCN(c2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)CC1 ZINC001164756589 720898112 /nfs/dbraw/zinc/89/81/12/720898112.db2.gz QRPGOPVOFRSBQG-WNCULLNHSA-N 2 0 477.657 2.554 20 0 JFADRP CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2OCC[C@H]2N(c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)C1 ZINC001164757364 721016809 /nfs/dbraw/zinc/01/68/09/721016809.db2.gz DMRUMLNGBFTKTM-FOVJLYNBSA-N 2 0 465.598 2.592 20 0 JFADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1C[NH2+]CC3)CC2 ZINC001164785974 721449136 /nfs/dbraw/zinc/44/91/36/721449136.db2.gz KPWAJUUGMJWYRZ-GOSISDBHSA-N 2 0 450.027 2.510 20 0 JFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4COC[C@@H](CC(=O)N5CCC(F)CC5)[C@H]4C3)c2)CC1 ZINC001164895116 721479444 /nfs/dbraw/zinc/47/94/44/721479444.db2.gz RBUMXXQQELTONZ-DNVFCKCGSA-N 2 0 460.594 2.604 20 0 JFADRP Cc1cccc(CN2CCO[C@@H]3CN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)CC[C@H]3C2=O)n1 ZINC001164800814 721603278 /nfs/dbraw/zinc/60/32/78/721603278.db2.gz OQXCCILHDCREMC-DNQXCXABSA-N 2 0 465.598 2.512 20 0 JFADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC[NH+]3CCC(C)CC3)C[C@H]2C)CC1 ZINC001286869515 1061262012 /nfs/dbraw/zinc/26/20/12/1061262012.db2.gz FJQNKPIIWPHLMM-ISKFKSNPSA-N 2 0 487.737 2.978 20 0 JFADRP Cc1ccc(NC(=O)c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@]2(O)CC[NH+](C)C2)cc1C ZINC001289732683 1061343005 /nfs/dbraw/zinc/34/30/05/1061343005.db2.gz JGPIULQKRISMHT-MHZLTWQESA-N 2 0 497.688 2.770 20 0 JFADRP Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)n2CC(C)(C)C[NH+](C)C)cc1C ZINC001289742895 1061359119 /nfs/dbraw/zinc/35/91/19/1061359119.db2.gz HDOLATIWZYXRCK-QFIPXVFZSA-N 2 0 497.688 2.894 20 0 JFADRP CC(C)(C)c1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1CCC[NH+]1CCCC1 ZINC001286995431 1061907030 /nfs/dbraw/zinc/90/70/30/1061907030.db2.gz HFVODGZTSYOOJF-UHFFFAOYSA-N 2 0 473.710 2.880 20 0 JFADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@H](C)[NH+](C)C)C1 ZINC001294455134 1062002102 /nfs/dbraw/zinc/00/21/02/1062002102.db2.gz DDBKMZOWXHXWPV-UYAOXDASSA-N 2 0 490.722 2.665 20 0 JFADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(O)CC[NH+](C)C2)C1 ZINC001294459984 1062007054 /nfs/dbraw/zinc/00/70/54/1062007054.db2.gz XJFQHHCVLGPBMP-MBSDFSHPSA-N 2 0 491.478 2.942 20 0 JFADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001294463034 1062012718 /nfs/dbraw/zinc/01/27/18/1062012718.db2.gz NSGFSICFUWTCME-FYYLOGMGSA-N 2 0 455.651 2.865 20 0 JFADRP CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)NC(CC)CC)nnc2N2CC[NH+](C3CCOCC3)C[C@H]2C)C1 ZINC001294633089 1062142258 /nfs/dbraw/zinc/14/22/58/1062142258.db2.gz LOFXLYMHYITOLW-NHCUHLMSSA-N 2 0 489.709 2.618 20 0 JFADRP CCC[N@@H+]1CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[NH+](C(C)C)CC2)C1 ZINC001294668479 1062223087 /nfs/dbraw/zinc/22/30/87/1062223087.db2.gz GVEFZPVAYJZGMC-IBGZPJMESA-N 2 0 459.664 2.532 20 0 JFADRP CCC[N@@H+]1CC[C@H](Cn2c(N3CCC[NH+](C(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001294669301 1062225253 /nfs/dbraw/zinc/22/52/53/1062225253.db2.gz HHVIUWBLQRTRKQ-DHLKQENFSA-N 2 0 462.683 2.971 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001294683612 1062242793 /nfs/dbraw/zinc/24/27/93/1062242793.db2.gz JYPFZPULYXZWPZ-UXHICEINSA-N 2 0 459.664 2.904 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCC(=O)N3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001294683646 1062242967 /nfs/dbraw/zinc/24/29/67/1062242967.db2.gz KITJPHHMGLSVGQ-RZUBCFFCSA-N 2 0 459.683 2.908 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001294684217 1062244002 /nfs/dbraw/zinc/24/40/02/1062244002.db2.gz UDHBEPPLZUAIBA-VXKWHMMOSA-N 2 0 494.750 2.859 20 0 JFADRP CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001294694980 1062256133 /nfs/dbraw/zinc/25/61/33/1062256133.db2.gz XHRCRRUTUZWMPC-YADHBBJMSA-N 2 0 459.683 2.947 20 0 JFADRP CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001294708072 1062273509 /nfs/dbraw/zinc/27/35/09/1062273509.db2.gz QPSDTGRRIPTDES-PKTZIBPZSA-N 2 0 489.709 2.775 20 0 JFADRP CN1CC[N@H+](CCCNC(=O)[C@]2(O)CCC[NH+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC001290820489 1062714457 /nfs/dbraw/zinc/71/44/57/1062714457.db2.gz MICXTSPPSSYMSP-BDYUSTAISA-N 2 0 450.627 2.509 20 0 JFADRP CC(C)C[C@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1)[NH+](C)C ZINC001287321280 1062797333 /nfs/dbraw/zinc/79/73/33/1062797333.db2.gz DPFMORPXAZPMEH-JOCHJYFZSA-N 2 0 480.665 2.818 20 0 JFADRP CC(C)C[C@H](Cn1c(-c2cccnc2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1)[NH+](C)C ZINC001287329175 1062805134 /nfs/dbraw/zinc/80/51/34/1062805134.db2.gz RTRJEACWAUDNSP-JWQCQUIFSA-N 2 0 498.720 2.548 20 0 JFADRP CC(C)C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001287332187 1062809116 /nfs/dbraw/zinc/80/91/16/1062809116.db2.gz JFAQZLDNJDNLIE-QPPBQGQZSA-N 2 0 469.678 2.930 20 0 JFADRP CC(C)C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)[NH+](C)C ZINC001287340027 1062818168 /nfs/dbraw/zinc/81/81/68/1062818168.db2.gz AOSXNUNWPLIFMC-YTFSRNRJSA-N 2 0 461.699 2.711 20 0 JFADRP CC(C)Cc1nnc(N(C)CC2COC(C)(C)OC2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001287373302 1062832638 /nfs/dbraw/zinc/83/26/38/1062832638.db2.gz XMZXKVSYIFMXDI-UHFFFAOYSA-N 2 0 485.677 2.919 20 0 JFADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001290982662 1062869408 /nfs/dbraw/zinc/86/94/08/1062869408.db2.gz YPSHDHXPLIOQSX-SANMLTNESA-N 2 0 452.599 2.724 20 0 JFADRP CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001287461675 1062898928 /nfs/dbraw/zinc/89/89/28/1062898928.db2.gz ABNHZRAZMGOHNJ-RTWAWAEBSA-N 2 0 473.691 2.584 20 0 JFADRP CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001287461764 1062900137 /nfs/dbraw/zinc/90/01/37/1062900137.db2.gz CARUNYMZHDMOPL-ZRBLBEILSA-N 2 0 487.737 2.976 20 0 JFADRP CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001287462317 1062902385 /nfs/dbraw/zinc/90/23/85/1062902385.db2.gz MZZUTXDCWNYVIJ-QHCPKHFHSA-N 2 0 473.710 2.876 20 0 JFADRP CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001287463158 1062904715 /nfs/dbraw/zinc/90/47/15/1062904715.db2.gz WIAAIBGWFSPXBZ-MCEYFSPLSA-N 2 0 473.710 2.730 20 0 JFADRP CC(C)[N@@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001291066541 1063012587 /nfs/dbraw/zinc/01/25/87/1063012587.db2.gz PCQSCJCMGSUBJH-SQJMNOBHSA-N 2 0 459.683 2.945 20 0 JFADRP CC(C)[NH2+]C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001291068598 1063016343 /nfs/dbraw/zinc/01/63/43/1063016343.db2.gz QACBZBIHJIRERT-JXALWOEJSA-N 2 0 480.723 2.658 20 0 JFADRP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCOCC3)C[C@@H]2C)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001291100995 1063070298 /nfs/dbraw/zinc/07/02/98/1063070298.db2.gz LJAGLHZGPWBCSH-SFTDATJTSA-N 2 0 489.709 2.616 20 0 JFADRP CC(C)NC(=O)c1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001291141438 1063214566 /nfs/dbraw/zinc/21/45/66/1063214566.db2.gz NUAXQFGFNZKQSH-HSZRJFAPSA-N 2 0 481.689 2.901 20 0 JFADRP CC1CC[NH+](C[C@@H]2CCCN(c3nnc(-c4cccnc4)n3CCOCC[NH+](C)C)C2)CC1 ZINC001291179334 1063268376 /nfs/dbraw/zinc/26/83/76/1063268376.db2.gz AXNUZFXODNEIBP-QFIPXVFZSA-N 2 0 455.651 2.867 20 0 JFADRP CC(C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001291179752 1063268780 /nfs/dbraw/zinc/26/87/80/1063268780.db2.gz LXSMKZDZDRBPOE-JOCHJYFZSA-N 2 0 459.683 2.689 20 0 JFADRP CC(C)[N@@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCCC[NH+]2CCC(C)CC2)CC1 ZINC001291179576 1063268835 /nfs/dbraw/zinc/26/88/35/1063268835.db2.gz HILBNOMYEWJOBM-UHFFFAOYSA-N 2 0 459.683 2.947 20 0 JFADRP CC(C)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001291180202 1063271817 /nfs/dbraw/zinc/27/18/17/1063271817.db2.gz WFTZBSOQWRSWNN-SQJMNOBHSA-N 2 0 491.750 2.802 20 0 JFADRP CC(C)NC(=O)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001291181689 1063275854 /nfs/dbraw/zinc/27/58/54/1063275854.db2.gz PSKPQPWSQDGWAF-UHFFFAOYSA-N 2 0 459.683 2.993 20 0 JFADRP CC(C)NC(=O)c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001291183221 1063279798 /nfs/dbraw/zinc/27/97/98/1063279798.db2.gz KMQKTPFDUXXISY-UHFFFAOYSA-N 2 0 459.683 2.851 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001295363353 1063323802 /nfs/dbraw/zinc/32/38/02/1063323802.db2.gz VBVHDEHGLIUTFX-QZTJIDSGSA-N 2 0 494.482 2.925 20 0 JFADRP CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001295368597 1063333661 /nfs/dbraw/zinc/33/36/61/1063333661.db2.gz XOYPFTAUPZDPOL-FQEVSTJZSA-N 2 0 486.661 2.994 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001295390988 1063372296 /nfs/dbraw/zinc/37/22/96/1063372296.db2.gz CQUXGYINIMUNPN-FYYLOGMGSA-N 2 0 461.699 2.855 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001295466644 1063472799 /nfs/dbraw/zinc/47/27/99/1063472799.db2.gz XTQHBGRMLSXXKV-SFHVURJKSA-N 2 0 462.664 2.609 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001295474955 1063483928 /nfs/dbraw/zinc/48/39/28/1063483928.db2.gz KEPOXFFCIAHPHM-UHFFFAOYSA-N 2 0 459.683 2.833 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001295483809 1063509060 /nfs/dbraw/zinc/50/90/60/1063509060.db2.gz IMAXMRSTEIUNQV-PKTZIBPZSA-N 2 0 489.709 2.631 20 0 JFADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001295520053 1063555928 /nfs/dbraw/zinc/55/59/28/1063555928.db2.gz SXZBXCVTVICJLY-VQTJNVASSA-N 2 0 450.697 2.778 20 0 JFADRP C[C@@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)S[C@@H](C)C1)[NH+](C)C ZINC001291274713 1063580830 /nfs/dbraw/zinc/58/08/30/1063580830.db2.gz GAYNAMYEMXPYKI-FDFHNCONSA-N 2 0 471.719 2.923 20 0 JFADRP C[C@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)S[C@H](C)C1)[NH+](C)C ZINC001291274715 1063580869 /nfs/dbraw/zinc/58/08/69/1063580869.db2.gz GAYNAMYEMXPYKI-YPAWHYETSA-N 2 0 471.719 2.923 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001295559442 1063591859 /nfs/dbraw/zinc/59/18/59/1063591859.db2.gz HEQANGOINSXALW-HXUWFJFHSA-N 2 0 490.722 2.889 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001295567949 1063602544 /nfs/dbraw/zinc/60/25/44/1063602544.db2.gz MAMKMAGLYBHRNW-GGAORHGYSA-N 2 0 455.651 2.543 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001295569863 1063604891 /nfs/dbraw/zinc/60/48/91/1063604891.db2.gz IFOSMSIEAWXHFN-YADHBBJMSA-N 2 0 472.682 2.560 20 0 JFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(-c2cnn(C)c2)n1CC(C)(C)C[NH+](C)C ZINC001291288410 1063648304 /nfs/dbraw/zinc/64/83/04/1063648304.db2.gz RTPIUHOFNYLFJT-HXUWFJFHSA-N 2 0 450.635 2.977 20 0 JFADRP CC(C)c1nnc(N(C)C2CC[NH+](CCn3cccn3)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291288627 1063651295 /nfs/dbraw/zinc/65/12/95/1063651295.db2.gz WBKPOHAMWYZUFP-JOCHJYFZSA-N 2 0 472.682 2.700 20 0 JFADRP C[C@H]1C[N@H+](CCCn2c(N(C)C3CC[NH+](CCn4cccn4)CC3)nnc2C(C)(C)C)CCCO1 ZINC001291295350 1063694352 /nfs/dbraw/zinc/69/43/52/1063694352.db2.gz YBEQJSRRTKPMGW-QFIPXVFZSA-N 2 0 486.709 2.874 20 0 JFADRP CC[N@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC001295821044 1063827311 /nfs/dbraw/zinc/82/73/11/1063827311.db2.gz LOVJLSOHEAALSE-NRFANRHFSA-N 2 0 459.683 2.993 20 0 JFADRP CC[N@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)C(C)C ZINC001295824511 1063832088 /nfs/dbraw/zinc/83/20/88/1063832088.db2.gz FFDBPGHVXIEGFR-SFHVURJKSA-N 2 0 494.482 2.925 20 0 JFADRP CC[N@H+](CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)C(C)C ZINC001295853878 1063881482 /nfs/dbraw/zinc/88/14/82/1063881482.db2.gz BFPMIUFXWBQUFK-XMMPIXPASA-N 2 0 481.689 2.650 20 0 JFADRP CC[N@H+](CCn1c([C@@H]2CCOC2)nnc1N1CC[NH+](C2CCOCC2)C[C@H]1C)CCC(F)(F)F ZINC001295854680 1063883970 /nfs/dbraw/zinc/88/39/70/1063883970.db2.gz YCGMSDOQXHLPMV-RTBURBONSA-N 2 0 488.599 2.746 20 0 JFADRP CC[N@H+](CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C)C(C)C ZINC001295866300 1063900399 /nfs/dbraw/zinc/90/03/99/1063900399.db2.gz JVAQFKMYZBSYGH-OALUTQOASA-N 2 0 461.680 2.919 20 0 JFADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2CC2CCN(c3cc[nH+]cc3)CC2)C[C@@H]1C ZINC001295977445 1064023976 /nfs/dbraw/zinc/02/39/76/1064023976.db2.gz KQMCRNFHULMJFC-VQTJNVASSA-N 2 0 468.650 2.647 20 0 JFADRP CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C ZINC001295978346 1064025399 /nfs/dbraw/zinc/02/53/99/1064025399.db2.gz RQMIINPXRAWSBY-DYXWJJEUSA-N 2 0 474.675 2.752 20 0 JFADRP CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C ZINC001295978349 1064025622 /nfs/dbraw/zinc/02/56/22/1064025622.db2.gz RQMIINPXRAWSBY-ZJOUEHCJSA-N 2 0 474.675 2.752 20 0 JFADRP CC[N@H+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[NH+](CC)C[C@H]1C)C1CC1 ZINC001295978778 1064026390 /nfs/dbraw/zinc/02/63/90/1064026390.db2.gz SWDNMLXXXXYATM-RTBURBONSA-N 2 0 474.675 2.752 20 0 JFADRP CC[N@H+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C)C1CC1 ZINC001295978772 1064026582 /nfs/dbraw/zinc/02/65/82/1064026582.db2.gz SWDNMLXXXXYATM-OALUTQOASA-N 2 0 474.675 2.752 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)[NH+](C)C2CC2)C[C@@H]1C ZINC001295979646 1064027995 /nfs/dbraw/zinc/02/79/95/1064027995.db2.gz WVJJYVQECSSSMA-FHWLQOOXSA-N 2 0 474.675 2.750 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC001295981031 1064031511 /nfs/dbraw/zinc/03/15/11/1064031511.db2.gz QNWXKOMCWFOFMW-MJCUULBUSA-N 2 0 497.754 2.564 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001295981032 1064031562 /nfs/dbraw/zinc/03/15/62/1064031562.db2.gz QNWXKOMCWFOFMW-SSTJLMRISA-N 2 0 497.754 2.564 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001295982081 1064033777 /nfs/dbraw/zinc/03/37/77/1064033777.db2.gz WIYAIGDCWUOZPS-ACRUOGEOSA-N 2 0 468.650 2.966 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccc(F)cc3)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001296002966 1064057966 /nfs/dbraw/zinc/05/79/66/1064057966.db2.gz PDHORRDYOMNKLF-PMACEKPBSA-N 2 0 458.626 2.774 20 0 JFADRP CC[C@H](C)c1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001291509551 1064060528 /nfs/dbraw/zinc/06/05/28/1064060528.db2.gz GFYBJUPXRZAHDJ-MLCQCVOFSA-N 2 0 475.726 2.896 20 0 JFADRP CC[C@H](C)c1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291509550 1064060644 /nfs/dbraw/zinc/06/06/44/1064060644.db2.gz GFYBJUPXRZAHDJ-GPJHCHHRSA-N 2 0 475.726 2.896 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)[NH+](C)C2CC2)C[C@H]1C ZINC001296010428 1064068511 /nfs/dbraw/zinc/06/85/11/1064068511.db2.gz LDIKUNUOKFLBDO-KSZLIROESA-N 2 0 459.664 2.671 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)[NH+](C)C2CC2)C[C@@H]1C ZINC001296010425 1064068703 /nfs/dbraw/zinc/06/87/03/1064068703.db2.gz LDIKUNUOKFLBDO-BZSNNMDCSA-N 2 0 459.664 2.671 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2C[C@@](C)(O)C(C)C)C[C@@H]1C ZINC001296011884 1064072087 /nfs/dbraw/zinc/07/20/87/1064072087.db2.gz XGRMLDOKCAIRNO-IBGGVINMSA-N 2 0 497.732 2.969 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2C[C@](C)(O)C(C)C)C[C@H]1C ZINC001296011887 1064072169 /nfs/dbraw/zinc/07/21/69/1064072169.db2.gz XGRMLDOKCAIRNO-NYULUDCUSA-N 2 0 497.732 2.969 20 0 JFADRP CC[NH+]1CCC(CCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001296025177 1064085384 /nfs/dbraw/zinc/08/53/84/1064085384.db2.gz NQWWKPQSSKOMDU-JOCHJYFZSA-N 2 0 473.710 2.732 20 0 JFADRP CC[C@@H](C)c1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001291580870 1064109964 /nfs/dbraw/zinc/10/99/64/1064109964.db2.gz BUEVLKZXCZAGJV-JOCHJYFZSA-N 2 0 481.689 2.840 20 0 JFADRP CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](CCOC)[C@H](C)C1 ZINC001296059897 1064123374 /nfs/dbraw/zinc/12/33/74/1064123374.db2.gz KJUYKEDFHARSAP-CTNGQTDRSA-N 2 0 472.634 2.604 20 0 JFADRP CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001296084739 1064152301 /nfs/dbraw/zinc/15/23/01/1064152301.db2.gz ODVHCOQIHYBDHJ-SFTDATJTSA-N 2 0 456.635 2.985 20 0 JFADRP CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001296086885 1064155096 /nfs/dbraw/zinc/15/50/96/1064155096.db2.gz BQCKPICJKIUWKX-UNMCSNQZSA-N 2 0 456.635 2.985 20 0 JFADRP CC[C@H](C)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CC1(SC)CC[NH+](C)CC1 ZINC001291622437 1064163282 /nfs/dbraw/zinc/16/32/82/1064163282.db2.gz WTWOJVWSJGEYNS-IBGZPJMESA-N 2 0 450.697 2.920 20 0 JFADRP CC[C@H](C)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001291626806 1064167742 /nfs/dbraw/zinc/16/77/42/1064167742.db2.gz AJCPDMNAAAIFNJ-UPVQGACJSA-N 2 0 483.705 2.673 20 0 JFADRP CC[C@H](C)c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001291630162 1064175387 /nfs/dbraw/zinc/17/53/87/1064175387.db2.gz RPMGCXYKMQHORV-VXKWHMMOSA-N 3 0 454.667 2.929 20 0 JFADRP CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccn3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001296125064 1064217828 /nfs/dbraw/zinc/21/78/28/1064217828.db2.gz KXZOGEONKXYMIY-JOCHJYFZSA-N 2 0 468.694 2.924 20 0 JFADRP CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001296132977 1064232338 /nfs/dbraw/zinc/23/23/38/1064232338.db2.gz SAFXTISVWOIEHK-QFIPXVFZSA-N 2 0 468.694 2.985 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H](C)[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001296137479 1064243651 /nfs/dbraw/zinc/24/36/51/1064243651.db2.gz PJBAEJZSCOHETQ-SFTDATJTSA-N 2 0 455.651 2.857 20 0 JFADRP CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001291764926 1064245740 /nfs/dbraw/zinc/24/57/40/1064245740.db2.gz HGXZOQHJLPWGIF-LJQANCHMSA-N 2 0 466.638 2.618 20 0 JFADRP CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001291765699 1064246851 /nfs/dbraw/zinc/24/68/51/1064246851.db2.gz PIOUGDIGYHXALE-FQEVSTJZSA-N 2 0 480.665 2.962 20 0 JFADRP CC[N@@H+]1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H](C)[NH+]2CCc3ccccc3C2)C[C@@H]1C ZINC001296142453 1064249571 /nfs/dbraw/zinc/24/95/71/1064249571.db2.gz LOFLTDQNKLUJPB-BDTNDASRSA-N 2 0 470.662 2.979 20 0 JFADRP CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001291771508 1064254290 /nfs/dbraw/zinc/25/42/90/1064254290.db2.gz GKNIIUQTJYMCLO-BVSLBCMMSA-N 2 0 453.635 2.670 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001296148282 1064259451 /nfs/dbraw/zinc/25/94/51/1064259451.db2.gz VNRZXYXTLIKGHR-VQTJNVASSA-N 2 0 454.623 2.578 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCOCC[NH+](C)C)C[C@H]1C ZINC001296156370 1064268749 /nfs/dbraw/zinc/26/87/49/1064268749.db2.gz UBANYXDEMHHCPF-LJQANCHMSA-N 2 0 453.591 2.709 20 0 JFADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C[C@@H]1C ZINC001296157459 1064269905 /nfs/dbraw/zinc/26/99/05/1064269905.db2.gz XPEWBLWBJDVOKV-ZVDOUQERSA-N 2 0 453.635 2.889 20 0 JFADRP CC[C@H](C)[N@H+](C)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001291782474 1064271558 /nfs/dbraw/zinc/27/15/58/1064271558.db2.gz PGPILCHCQHTZMV-LADGPHEKSA-N 2 0 468.694 2.599 20 0 JFADRP CC[C@H](C)[N@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001291783131 1064275116 /nfs/dbraw/zinc/27/51/16/1064275116.db2.gz JMMMLVANTCMXQW-QHCPKHFHSA-N 2 0 499.752 2.865 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001296163244 1064277513 /nfs/dbraw/zinc/27/75/13/1064277513.db2.gz SMXZOQBFZPOBIA-IFMALSPDSA-N 2 0 458.626 2.895 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001296163245 1064277679 /nfs/dbraw/zinc/27/76/79/1064277679.db2.gz SMXZOQBFZPOBIA-IRLDBZIGSA-N 2 0 458.626 2.895 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C ZINC001296166720 1064288394 /nfs/dbraw/zinc/28/83/94/1064288394.db2.gz OYZIHHZOXXBGFL-VQTJNVASSA-N 2 0 473.691 2.920 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001296166721 1064288438 /nfs/dbraw/zinc/28/84/38/1064288438.db2.gz OYZIHHZOXXBGFL-WOJBJXKFSA-N 2 0 473.691 2.920 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(OCC[NH+](C)C)c2)C[C@H]1C ZINC001296167347 1064289513 /nfs/dbraw/zinc/28/95/13/1064289513.db2.gz GLBDPLFOMXVULX-OAQYLSRUSA-N 2 0 463.630 2.783 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001296167122 1064289667 /nfs/dbraw/zinc/28/96/67/1064289667.db2.gz QSHWTETUFLVXIV-RTBURBONSA-N 2 0 459.664 2.532 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C[C@@H]1C ZINC001296174702 1064302688 /nfs/dbraw/zinc/30/26/88/1064302688.db2.gz RWRMNIDNWXYNEU-LADGPHEKSA-N 2 0 497.688 2.639 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001296175241 1064303879 /nfs/dbraw/zinc/30/38/79/1064303879.db2.gz VUQAHJHTMAXAQW-HXUWFJFHSA-N 2 0 472.634 2.507 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001296181926 1064319923 /nfs/dbraw/zinc/31/99/23/1064319923.db2.gz HKOTUPGGHISRBT-ZJSXRUAMSA-N 2 0 471.669 2.955 20 0 JFADRP CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001296195213 1064359657 /nfs/dbraw/zinc/35/96/57/1064359657.db2.gz OVPDYVTWTAJBDJ-QFIPXVFZSA-N 2 0 499.704 2.766 20 0 JFADRP CC[NH+]1CCN(CCCn2c(Cc3c(F)cccc3F)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001296210464 1064400923 /nfs/dbraw/zinc/40/09/23/1064400923.db2.gz FYISHNBIMMIHFR-UHFFFAOYSA-N 2 0 475.632 2.705 20 0 JFADRP CC[NH+]1CCN(CCCn2c(COc3ccccc3F)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001296215624 1064418104 /nfs/dbraw/zinc/41/81/04/1064418104.db2.gz UROURDLQDHYOQT-UHFFFAOYSA-N 2 0 487.668 2.944 20 0 JFADRP CCn1nc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001296219817 1064433968 /nfs/dbraw/zinc/43/39/68/1064433968.db2.gz NXGLJUPUMCTVPZ-GOSISDBHSA-N 2 0 466.634 2.592 20 0 JFADRP CC[C@H](c1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1CC[N@H+](C)C(C)C)c1ccccc1 ZINC001291888807 1064513420 /nfs/dbraw/zinc/51/34/20/1064513420.db2.gz RGLZEQDUZHZWFK-ZEQRLZLVSA-N 2 0 481.689 2.903 20 0 JFADRP CCc1ccc(-c2nnc(N3CCN(C(=O)C[NH+](CC)CC)CC3)n2CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC001292513262 1065232736 /nfs/dbraw/zinc/23/27/36/1065232736.db2.gz BJSAPMQLSQWFIK-QFIPXVFZSA-N 2 0 481.689 2.982 20 0 JFADRP CCc1ccccc1OCc1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001292616789 1065351697 /nfs/dbraw/zinc/35/16/97/1065351697.db2.gz XZEDZCBCGBSIRG-GOTSBHOMSA-N 2 0 483.705 2.976 20 0 JFADRP CCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCCN(C(C)=O)CC3)C2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001292892481 1065590231 /nfs/dbraw/zinc/59/02/31/1065590231.db2.gz DRRIKEGDLRNEJN-SQJMNOBHSA-N 2 0 481.689 2.719 20 0 JFADRP CCc1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001292993647 1065681362 /nfs/dbraw/zinc/68/13/62/1065681362.db2.gz FZTJVGLELJCVPW-SFTDATJTSA-N 2 0 462.683 2.810 20 0 JFADRP CCc1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001293068068 1065719603 /nfs/dbraw/zinc/71/96/03/1065719603.db2.gz AWGQLBXGRSXLKZ-UHFFFAOYSA-N 2 0 471.669 2.966 20 0 JFADRP CCc1nnc(N2CCN(C[C@@H]3C[NH+](C(C)C)CCO3)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001293131341 1065783396 /nfs/dbraw/zinc/78/33/96/1065783396.db2.gz OGQWJPZXRRQPTQ-DNQXCXABSA-N 2 0 475.726 2.726 20 0 JFADRP CCc1nnc(N2CCN(C[C@@H]3C[NH+](C(C)C)CCO3)CC2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001293132050 1065784425 /nfs/dbraw/zinc/78/44/25/1065784425.db2.gz UVPQZQBDAYYIGM-RUZDIDTESA-N 2 0 483.705 2.572 20 0 JFADRP CC[C@H]1CCCC[N@@H+]1CCn1c(C(C)C)nnc1N1CCN(C[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001293361410 1065965523 /nfs/dbraw/zinc/96/55/23/1065965523.db2.gz AGIGBFAVMXKWRB-ZEQRLZLVSA-N 2 0 475.726 2.897 20 0 JFADRP CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001293374508 1065979801 /nfs/dbraw/zinc/97/98/01/1065979801.db2.gz VSFLUWHHCXMQMX-BHDDXSALSA-N 2 0 480.723 2.613 20 0 JFADRP CC[C@H]1CN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2([NH+](C)C)CCSC2)CC[N@@H+]1CCOC ZINC001293556942 1066071092 /nfs/dbraw/zinc/07/10/92/1066071092.db2.gz KQWOOQZSVFGFPJ-SQJMNOBHSA-N 2 0 488.702 2.938 20 0 JFADRP CC[C@@H]1CN(c2nnc(C3CCC3)n2CC2(SC)CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC001293584161 1066093634 /nfs/dbraw/zinc/09/36/34/1066093634.db2.gz TZXIVVBATKOLFT-HXUWFJFHSA-N 2 0 450.697 2.920 20 0 JFADRP CC[C@H]1CN(c2nnc(CC3CCCC3)n2C[C@]2([NH+](C)C)CCSC2)CC[N@@H+]1CCOC ZINC001293624120 1066140111 /nfs/dbraw/zinc/14/01/11/1066140111.db2.gz VCNHIZYLQKGIDR-XUZZJYLKSA-N 2 0 464.724 2.995 20 0 JFADRP CCC[C@@H]1CN(c2nnc(C)n2Cc2ccccc2C[NH+]2CCC(O)CC2)CC[N@@H+]1CCOC ZINC001294061312 1066533464 /nfs/dbraw/zinc/53/34/64/1066533464.db2.gz QGHASYIJLCQNOX-XMMPIXPASA-N 2 0 470.662 2.529 20 0 JFADRP CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CC[NH+]2CC=CCC2)CC[N@@H+]1CCOC ZINC001294086898 1066558160 /nfs/dbraw/zinc/55/81/60/1066558160.db2.gz ZWYOXEKYWCGLHE-JOCHJYFZSA-N 2 0 453.635 2.848 20 0 JFADRP CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3[NH2+]Cc4ccccc4[C@H]3C2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164423051 718944440 /nfs/dbraw/zinc/94/44/40/718944440.db2.gz DAPFWTLWYYVKMW-VNZMSGEBSA-N 2 0 463.626 2.956 20 0 JFADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164719663 720127310 /nfs/dbraw/zinc/12/73/10/720127310.db2.gz ZUGDOVQHKZNZBW-HSZRJFAPSA-N 2 0 450.631 2.736 20 0 JFADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(OC3CC[NH2+]CC3)nn1)CC2 ZINC001164714063 720142227 /nfs/dbraw/zinc/14/22/27/720142227.db2.gz VUYSRWHNMGHUAR-OAQYLSRUSA-N 2 0 452.603 2.510 20 0 JFADRP c1nc2n(c1-c1cccnc1)CCN(c1cccc(OCC[NH+]3CCCC3)n1)C21CC[NH2+]CC1 ZINC001164843423 720742869 /nfs/dbraw/zinc/74/28/69/720742869.db2.gz JLRISLUJBUJGMD-UHFFFAOYSA-N 2 0 459.598 2.914 20 0 JFADRP C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2)CC1 ZINC001164748174 720856211 /nfs/dbraw/zinc/85/62/11/720856211.db2.gz KWFPSXUYQURKGC-AWRGLXIESA-N 2 0 451.619 2.526 20 0 JFADRP Clc1nc2c(c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)C[NH2+]CC2 ZINC001164750044 720869795 /nfs/dbraw/zinc/86/97/95/720869795.db2.gz INQTVEAZCNLTFB-CJFMBICVSA-N 2 0 469.033 2.926 20 0 JFADRP COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC[C@@H]2C1 ZINC001164857743 720892224 /nfs/dbraw/zinc/89/22/24/720892224.db2.gz JLIMTEIJESHXRZ-XLIONFOSSA-N 2 0 456.965 2.830 20 0 JFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC(c4nc5ccc(N6CCOCC6)cn5n4)CC3)c2)CC1 ZINC001164885150 721361986 /nfs/dbraw/zinc/36/19/86/721361986.db2.gz XAHVOKDQRXRBIC-UHFFFAOYSA-N 2 0 477.613 2.818 20 0 JFADRP Cc1cccc(-c2nnc(N3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)n2CC[N@@H+](C)C(C)C)n1 ZINC001289954705 1061650707 /nfs/dbraw/zinc/65/07/07/1061650707.db2.gz OCESHFIWTIQYGA-JOCHJYFZSA-N 2 0 454.667 2.593 20 0 JFADRP Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001289971668 1061676321 /nfs/dbraw/zinc/67/63/21/1061676321.db2.gz FONYFQSIFXVZBL-HSZRJFAPSA-N 2 0 455.651 2.926 20 0 JFADRP Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC2CC[NH+](CCN(C)C)CC2)n1 ZINC001289972196 1061678581 /nfs/dbraw/zinc/67/85/81/1061678581.db2.gz KPJUQGPDGIFMHO-UHFFFAOYSA-N 2 0 468.694 2.843 20 0 JFADRP CCCC[N@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001294225789 1061738144 /nfs/dbraw/zinc/73/81/44/1061738144.db2.gz IBYGJFYYXAJATN-HSZRJFAPSA-N 2 0 475.726 2.899 20 0 JFADRP Cc1cccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCCC[NH+]2CCOCC2)c1 ZINC001290071851 1061799865 /nfs/dbraw/zinc/79/98/65/1061799865.db2.gz VFXFCJVJDQBGJD-UHFFFAOYSA-N 2 0 456.635 2.808 20 0 JFADRP CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001294317256 1061813237 /nfs/dbraw/zinc/81/32/37/1061813237.db2.gz KLZHLXUZGXJKFT-JOCHJYFZSA-N 2 0 459.683 2.976 20 0 JFADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CCCC(C)(C)C2)C1 ZINC001294453819 1061998970 /nfs/dbraw/zinc/99/89/70/1061998970.db2.gz HVYNDJDRBUNZSI-NRFANRHFSA-N 2 0 459.683 2.804 20 0 JFADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@H](C)[NH+](C)C)C1 ZINC001294455133 1062001783 /nfs/dbraw/zinc/00/17/83/1062001783.db2.gz DDBKMZOWXHXWPV-QUCCMNQESA-N 2 0 490.722 2.665 20 0 JFADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(O)CC[NH+](C)C2)C1 ZINC001294459982 1062006824 /nfs/dbraw/zinc/00/68/24/1062006824.db2.gz XJFQHHCVLGPBMP-JPYJTQIMSA-N 2 0 491.478 2.942 20 0 JFADRP CCC[NH+]1CCC(Cn2c(Cc3ccncc3)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)CC1 ZINC001294662303 1062214335 /nfs/dbraw/zinc/21/43/35/1062214335.db2.gz KCWABJANJPDYAX-OAQYLSRUSA-N 2 0 455.651 2.543 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001294675602 1062236994 /nfs/dbraw/zinc/23/69/94/1062236994.db2.gz LBHLXVGCDPFAMK-KBMIEXCESA-N 2 0 474.625 2.934 20 0 JFADRP CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001294708073 1062273377 /nfs/dbraw/zinc/27/33/77/1062273377.db2.gz QPSDTGRRIPTDES-XZOQPEGZSA-N 2 0 489.709 2.775 20 0 JFADRP CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(C(C)C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001287122722 1062373898 /nfs/dbraw/zinc/37/38/98/1062373898.db2.gz HVPQPLDJUBLOMP-QHCPKHFHSA-N 2 0 496.704 2.997 20 0 JFADRP CC(C)[C@H](Cn1c(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001287163266 1062568276 /nfs/dbraw/zinc/56/82/76/1062568276.db2.gz CIUOFVZOKXJFMZ-ZEQRLZLVSA-N 2 0 489.753 2.927 20 0 JFADRP CC(C)[C@@H](Cn1c(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001287163259 1062568492 /nfs/dbraw/zinc/56/84/92/1062568492.db2.gz CIUOFVZOKXJFMZ-BJKOFHAPSA-N 2 0 489.753 2.927 20 0 JFADRP Cc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001290736893 1062657788 /nfs/dbraw/zinc/65/77/88/1062657788.db2.gz GQTUKJXRKYMBLK-FGZHOGPDSA-N 2 0 469.678 2.733 20 0 JFADRP CC(C)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001287220412 1062704761 /nfs/dbraw/zinc/70/47/61/1062704761.db2.gz VTCPNGZIBQCTMS-JOCHJYFZSA-N 2 0 459.683 2.799 20 0 JFADRP CC(C)C[C@@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@@H](O)C1)[NH+](C)C ZINC001287338740 1062816113 /nfs/dbraw/zinc/81/61/13/1062816113.db2.gz NBZBPRVQGZPEFO-AFESJLNVSA-N 2 0 497.732 2.826 20 0 JFADRP CC(C)Cc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001287417590 1062854873 /nfs/dbraw/zinc/85/48/73/1062854873.db2.gz BBAFVHWVYWYYTM-VXNXHJTFSA-N 2 0 475.726 2.581 20 0 JFADRP CC(C)Cc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001287457217 1062896215 /nfs/dbraw/zinc/89/62/15/1062896215.db2.gz SILJDGVYSTXVTN-NRFANRHFSA-N 2 0 454.623 2.818 20 0 JFADRP CC(C)[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001291002330 1062899007 /nfs/dbraw/zinc/89/90/07/1062899007.db2.gz ULNQRFOIQJKMKT-NHCUHLMSSA-N 2 0 459.683 2.687 20 0 JFADRP CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001287461761 1062899730 /nfs/dbraw/zinc/89/97/30/1062899730.db2.gz CARUNYMZHDMOPL-VABKMULXSA-N 2 0 487.737 2.976 20 0 JFADRP CC(C)Cc1nnc(N2CC[NH+](C(C)C)CC2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001287464685 1062909057 /nfs/dbraw/zinc/90/90/57/1062909057.db2.gz DCMAVXBKYRWWNP-UHFFFAOYSA-N 3 0 454.667 2.614 20 0 JFADRP CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001291012417 1062916332 /nfs/dbraw/zinc/91/63/32/1062916332.db2.gz ZCPLWIFALSSFML-DNVJHFABSA-N 2 0 494.750 2.859 20 0 JFADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291012673 1062917261 /nfs/dbraw/zinc/91/72/61/1062917261.db2.gz CSYGCCWINNECQV-HBMCJLEFSA-N 2 0 497.754 2.567 20 0 JFADRP CC[N@H+](C)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C(C)(C)C)CC2)c1 ZINC001295127243 1062945947 /nfs/dbraw/zinc/94/59/47/1062945947.db2.gz MMBNLCLWHGSMHL-UHFFFAOYSA-N 2 0 455.651 2.837 20 0 JFADRP CC[N@H+](C)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC001295127985 1062948016 /nfs/dbraw/zinc/94/80/16/1062948016.db2.gz YDODXOIJFHSQHV-HSZRJFAPSA-N 2 0 467.662 2.981 20 0 JFADRP CC(C)[N@@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001291066540 1063012441 /nfs/dbraw/zinc/01/24/41/1063012441.db2.gz PCQSCJCMGSUBJH-PXDATVDWSA-N 2 0 459.683 2.945 20 0 JFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001291096704 1063058523 /nfs/dbraw/zinc/05/85/23/1063058523.db2.gz JFJLBBGFRZBZJI-HKBOAZHASA-N 2 0 459.683 2.908 20 0 JFADRP CC(C)C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001287741882 1063068540 /nfs/dbraw/zinc/06/85/40/1063068540.db2.gz OTXHUSUSWASGFQ-FGZHOGPDSA-N 2 0 461.699 2.952 20 0 JFADRP CC(C)C[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001287750883 1063076189 /nfs/dbraw/zinc/07/61/89/1063076189.db2.gz OOMQCUOXFUFZCS-QFIPXVFZSA-N 2 0 477.451 2.552 20 0 JFADRP CC(C)C[NH+]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001287761479 1063087132 /nfs/dbraw/zinc/08/71/32/1063087132.db2.gz LQNAUKSCWIYRBZ-UHFFFAOYSA-N 2 0 490.722 2.604 20 0 JFADRP CC(C)NC(=O)c1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001291125733 1063149719 /nfs/dbraw/zinc/14/97/19/1063149719.db2.gz AFXHIHYAXVZALP-QFIPXVFZSA-N 2 0 467.662 2.513 20 0 JFADRP CC(C)[N@H+](C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001291180067 1063270810 /nfs/dbraw/zinc/27/08/10/1063270810.db2.gz SZKVCHFEENFBLX-PKTZIBPZSA-N 2 0 494.750 2.859 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001295368598 1063333565 /nfs/dbraw/zinc/33/35/65/1063333565.db2.gz XOYPFTAUPZDPOL-HXUWFJFHSA-N 2 0 486.661 2.994 20 0 JFADRP CC[NH+](CC)[C@@H](C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001295383913 1063357941 /nfs/dbraw/zinc/35/79/41/1063357941.db2.gz CZWCFHKWFSOBRL-KMDXXIMOSA-N 2 0 483.705 2.987 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001295387582 1063364925 /nfs/dbraw/zinc/36/49/25/1063364925.db2.gz GHUFYIIYIBLQJS-GGAORHGYSA-N 2 0 455.651 2.543 20 0 JFADRP CC[NH+](CC)[C@@H](C)Cn1c(Cc2cccnc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001295388809 1063366630 /nfs/dbraw/zinc/36/66/30/1063366630.db2.gz KIMYTPNFRLEQHF-NRFANRHFSA-N 2 0 455.651 2.543 20 0 JFADRP CC[NH+](CC)[C@@H](C)Cn1c(N2CC[NH+](C(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001295389662 1063367260 /nfs/dbraw/zinc/36/72/60/1063367260.db2.gz FSVUEAOHBSHJDB-GBXCKJPGSA-N 2 0 450.672 2.970 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001295471946 1063476939 /nfs/dbraw/zinc/47/69/39/1063476939.db2.gz HHRAHSSFSDFEGB-RTWAWAEBSA-N 2 0 480.723 2.611 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001295474768 1063483101 /nfs/dbraw/zinc/48/31/01/1063483101.db2.gz GZRHEUYPRZZVJU-AREMUKBSSA-N 2 0 470.662 2.851 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001295483808 1063509087 /nfs/dbraw/zinc/50/90/87/1063509087.db2.gz IMAXMRSTEIUNQV-GOTSBHOMSA-N 2 0 489.709 2.631 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001295491208 1063521866 /nfs/dbraw/zinc/52/18/66/1063521866.db2.gz QNNPARCWCQDHGO-DHIUTWEWSA-N 2 0 489.709 2.631 20 0 JFADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001295511073 1063545644 /nfs/dbraw/zinc/54/56/44/1063545644.db2.gz ATIPVLAMVOCDEY-VXKWHMMOSA-N 2 0 457.667 2.809 20 0 JFADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001295515687 1063549711 /nfs/dbraw/zinc/54/97/11/1063549711.db2.gz FCMHQUHZINFPAF-DFQSSKMNSA-N 2 0 459.664 2.762 20 0 JFADRP CC[NH+](CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001295533899 1063571052 /nfs/dbraw/zinc/57/10/52/1063571052.db2.gz HMTRKSCEUAPVJF-YADHBBJMSA-N 2 0 459.683 2.909 20 0 JFADRP CC(C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291288729 1063651464 /nfs/dbraw/zinc/65/14/64/1063651464.db2.gz XUPXEZNKHAXNBA-HSZRJFAPSA-N 2 0 475.726 2.897 20 0 JFADRP CC[N@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)C(C)C ZINC001295824510 1063832014 /nfs/dbraw/zinc/83/20/14/1063832014.db2.gz FFDBPGHVXIEGFR-GOSISDBHSA-N 2 0 494.482 2.925 20 0 JFADRP CC[N@H+](CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[NH+](CC)C[C@H]1C)C(C)C ZINC001295866305 1063900077 /nfs/dbraw/zinc/90/00/77/1063900077.db2.gz JVAQFKMYZBSYGH-RTBURBONSA-N 2 0 461.680 2.919 20 0 JFADRP CC[N@H+](CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[NH+](CC)C[C@H]1C)C(C)C ZINC001295866302 1063900215 /nfs/dbraw/zinc/90/02/15/1063900215.db2.gz JVAQFKMYZBSYGH-RBUKOAKNSA-N 2 0 461.680 2.919 20 0 JFADRP CC[N@H+](CCn1c(N2CC[NH+](C3CCOCC3)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1)C(C)C ZINC001295868541 1063905122 /nfs/dbraw/zinc/90/51/22/1063905122.db2.gz PFYJBLPHAYFZEH-GJZUVCINSA-N 2 0 492.709 2.739 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001295982083 1064033678 /nfs/dbraw/zinc/03/36/78/1064033678.db2.gz WIYAIGDCWUOZPS-HBMCJLEFSA-N 2 0 468.650 2.966 20 0 JFADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3OC)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001295990109 1064045042 /nfs/dbraw/zinc/04/50/42/1064045042.db2.gz DVFVJCFEEYLBES-WOJBJXKFSA-N 2 0 456.635 2.719 20 0 JFADRP CC[NH+]1CCC(CCn2c(C(=O)Nc3ccccn3)nnc2N2CC[NH+](CC(C)C)CC2)CC1 ZINC001296019401 1064081065 /nfs/dbraw/zinc/08/10/65/1064081065.db2.gz XNSBOMATGVNHCU-UHFFFAOYSA-N 2 0 468.650 2.825 20 0 JFADRP CC[C@H](C)c1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001291580871 1064109975 /nfs/dbraw/zinc/10/99/75/1064109975.db2.gz BUEVLKZXCZAGJV-QFIPXVFZSA-N 2 0 481.689 2.840 20 0 JFADRP CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001296067340 1064132544 /nfs/dbraw/zinc/13/25/44/1064132544.db2.gz IIVOIJNOKTXMIU-VQTJNVASSA-N 2 0 488.599 2.747 20 0 JFADRP CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001296088427 1064158884 /nfs/dbraw/zinc/15/88/84/1064158884.db2.gz LAIXYCNIALNOEN-RBBKRZOGSA-N 2 0 486.661 2.994 20 0 JFADRP CC[C@@H](C)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CC1(SC)CC[NH+](C)CC1 ZINC001291622443 1064163252 /nfs/dbraw/zinc/16/32/52/1064163252.db2.gz WTWOJVWSJGEYNS-LJQANCHMSA-N 2 0 450.697 2.920 20 0 JFADRP CC[C@@H](C)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001291626807 1064167668 /nfs/dbraw/zinc/16/76/68/1064167668.db2.gz AJCPDMNAAAIFNJ-VWNXMTODSA-N 2 0 483.705 2.673 20 0 JFADRP CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001291629210 1064173423 /nfs/dbraw/zinc/17/34/23/1064173423.db2.gz ILDQYOUTUVZNGR-LADGPHEKSA-N 2 0 484.689 2.883 20 0 JFADRP CC[C@H](C)c1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001291644089 1064196505 /nfs/dbraw/zinc/19/65/05/1064196505.db2.gz UCIICLDQZHNIHV-RJGXRXQPSA-N 2 0 475.726 2.633 20 0 JFADRP CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001296132588 1064230774 /nfs/dbraw/zinc/23/07/74/1064230774.db2.gz BTEOZPHXMRLWLR-YTFSRNRJSA-N 2 0 499.704 2.811 20 0 JFADRP CC[NH+]1CCN([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001296134830 1064237122 /nfs/dbraw/zinc/23/71/22/1064237122.db2.gz QZMWDKHIKFKBHZ-ZLNRFVROSA-N 2 0 499.704 2.811 20 0 JFADRP CC[C@H](C)[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](CCOC)[C@H](C)C1 ZINC001291761985 1064243343 /nfs/dbraw/zinc/24/33/43/1064243343.db2.gz RHNNQKWQFOUFOF-ZWKOTPCHSA-N 2 0 496.498 2.933 20 0 JFADRP CC[C@@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001291762598 1064243888 /nfs/dbraw/zinc/24/38/88/1064243888.db2.gz YXOLBMRMNDIEAU-UXHICEINSA-N 2 0 454.623 2.720 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001296145892 1064256446 /nfs/dbraw/zinc/25/64/46/1064256446.db2.gz GSRJLACBMRWQIU-VGSWGCGISA-N 2 0 477.451 2.613 20 0 JFADRP CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001291772879 1064256760 /nfs/dbraw/zinc/25/67/60/1064256760.db2.gz QLGUQMSPGYCRPK-VXKWHMMOSA-N 2 0 454.667 2.595 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[NH+]2CCCO[C@H](C)C2)C[C@H]1C ZINC001296148611 1064260918 /nfs/dbraw/zinc/26/09/18/1064260918.db2.gz AEVXXAFVMKBNHK-NHCUHLMSSA-N 2 0 486.661 2.994 20 0 JFADRP CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC001291774668 1064263528 /nfs/dbraw/zinc/26/35/28/1064263528.db2.gz QBXLQCUTAUTNEX-UNMCSNQZSA-N 2 0 458.655 2.696 20 0 JFADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C[C@H]1C ZINC001296157457 1064269830 /nfs/dbraw/zinc/26/98/30/1064269830.db2.gz XPEWBLWBJDVOKV-SBHAEUEKSA-N 2 0 453.635 2.889 20 0 JFADRP CC[C@@H](C)[N@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001291783130 1064275202 /nfs/dbraw/zinc/27/52/02/1064275202.db2.gz JMMMLVANTCMXQW-HSZRJFAPSA-N 2 0 499.752 2.865 20 0 JFADRP CC[C@@H](C)[N@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+]2CCCC[C@@H]2C1 ZINC001291783417 1064276251 /nfs/dbraw/zinc/27/62/51/1064276251.db2.gz LHQSFXNWECAYAK-RTBURBONSA-N 2 0 459.664 2.674 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC001296162833 1064276845 /nfs/dbraw/zinc/27/68/45/1064276845.db2.gz PXZOMKDUIOLBPQ-OAQYLSRUSA-N 2 0 471.669 2.812 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2C[C@H](OC)C(C)C)C[C@@H]1C ZINC001296165432 1064284962 /nfs/dbraw/zinc/28/49/62/1064284962.db2.gz JJGAWQFURJHSQJ-ZCYQVOJMSA-N 2 0 483.705 2.844 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001296167107 1064288883 /nfs/dbraw/zinc/28/88/83/1064288883.db2.gz QRXZWNCVGZZFPG-PMACEKPBSA-N 2 0 473.691 2.922 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001296167118 1064290056 /nfs/dbraw/zinc/29/00/56/1064290056.db2.gz QSHWTETUFLVXIV-OALUTQOASA-N 2 0 459.664 2.532 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001296167875 1064290682 /nfs/dbraw/zinc/29/06/82/1064290682.db2.gz VHXJMGUGQLQJLQ-ISKFKSNPSA-N 2 0 470.662 2.787 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001296173705 1064297276 /nfs/dbraw/zinc/29/72/76/1064297276.db2.gz KMZNOSAGNDGIEN-LJQANCHMSA-N 2 0 477.053 2.888 20 0 JFADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc(Cc4csc(C)n4)n3CC[NH+](C(C)C)C(C)C)C2)CC1 ZINC001296181761 1064317751 /nfs/dbraw/zinc/31/77/51/1064317751.db2.gz CEFFUOPSAKPVBV-HSZRJFAPSA-N 2 0 488.750 2.969 20 0 JFADRP CCN1CC[NH+](C[C@H](C)Cn2c(C(C)C)nnc2N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC001296183291 1064327381 /nfs/dbraw/zinc/32/73/81/1064327381.db2.gz CUYOKXBHFSBCJP-CCDWMCETSA-N 2 0 488.769 2.670 20 0 JFADRP CCN1CC[NH+](C[C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001296183533 1064329017 /nfs/dbraw/zinc/32/90/17/1064329017.db2.gz FAVJTJAIBYNBAV-QFIPXVFZSA-N 2 0 499.704 2.766 20 0 JFADRP CCN1CC[NH+](C[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC001296194385 1064355442 /nfs/dbraw/zinc/35/54/42/1064355442.db2.gz SBPLRCJNNMUTHC-HSZRJFAPSA-N 2 0 489.753 2.689 20 0 JFADRP CCC(CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[N@@H+](C(C)C)CC1)[NH+]1CCOCC1 ZINC001291963522 1064576706 /nfs/dbraw/zinc/57/67/06/1064576706.db2.gz KQJXMCFJIBHQQC-HSZRJFAPSA-N 2 0 470.666 2.793 20 0 JFADRP CCC(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([NH2+]C(C)C)CC1)[NH+](C)C ZINC001291966628 1064580328 /nfs/dbraw/zinc/58/03/28/1064580328.db2.gz CSIXFAOUGBKLIU-CTNGQTDRSA-N 2 0 468.712 2.513 20 0 JFADRP CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([NH2+]C(C)C)CC1)[NH+](C)C ZINC001291966629 1064580786 /nfs/dbraw/zinc/58/07/86/1064580786.db2.gz CSIXFAOUGBKLIU-FPOVZHCZSA-N 2 0 468.712 2.513 20 0 JFADRP CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](C(C)C)CC1)[NH+]1CCOCC1 ZINC001291972544 1064587073 /nfs/dbraw/zinc/58/70/73/1064587073.db2.gz BQDZTVUAXQSEPB-DEOSSOPVSA-N 2 0 486.709 2.807 20 0 JFADRP CC[C@H](Cn1c(C(C)C)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1)[NH+]1CCCC1 ZINC001292162060 1064947076 /nfs/dbraw/zinc/94/70/76/1064947076.db2.gz IBDXXAPMTMFLCA-YMPZKCBVSA-N 2 0 459.683 2.655 20 0 JFADRP CC[C@H](Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1)[NH+]1CCCC1 ZINC001292196865 1064988789 /nfs/dbraw/zinc/98/87/89/1064988789.db2.gz XWLXZQXEAYONPT-HSZRJFAPSA-N 2 0 467.662 2.810 20 0 JFADRP CCc1ccc(-c2nnc(N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)n2CCOCC[NH+](C)C)cc1 ZINC001292517374 1065238423 /nfs/dbraw/zinc/23/84/23/1065238423.db2.gz ACURDHAFEDWLRU-NRFANRHFSA-N 2 0 470.662 2.775 20 0 JFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)COc1cccc(I)c1 ZINC001292581669 1065298830 /nfs/dbraw/zinc/29/88/30/1065298830.db2.gz DTCFJOWJAMZRHH-KRWDZBQOSA-N 2 0 459.372 2.545 20 0 JFADRP CCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCCN(C(C)=O)CC3)C2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001292892423 1065590469 /nfs/dbraw/zinc/59/04/69/1065590469.db2.gz DRRIKEGDLRNEJN-BWKNWUBXSA-N 2 0 481.689 2.719 20 0 JFADRP CCc1nnc(N2C[C@@H](C)[C@@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CCC[NH+](C)Cc1ccccc1 ZINC001292893443 1065594134 /nfs/dbraw/zinc/59/41/34/1065594134.db2.gz OBAMSMJCHNOMMM-RDGATRHJSA-N 2 0 481.689 2.742 20 0 JFADRP CCc1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001292894345 1065596029 /nfs/dbraw/zinc/59/60/29/1065596029.db2.gz WXWWLHBFPJWCLV-WUMKDDEVSA-N 2 0 485.652 2.661 20 0 JFADRP CCc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001292924751 1065617465 /nfs/dbraw/zinc/61/74/65/1065617465.db2.gz PDHOSWOTDMPHKH-QFIPXVFZSA-N 2 0 473.710 2.779 20 0 JFADRP CCc1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001292952520 1065632912 /nfs/dbraw/zinc/63/29/12/1065632912.db2.gz HYFJSKYCEFTISV-JOCHJYFZSA-N 2 0 462.683 2.670 20 0 JFADRP CCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001293068488 1065720539 /nfs/dbraw/zinc/72/05/39/1065720539.db2.gz RAIFRKWUWYXNLA-UHFFFAOYSA-N 3 0 454.667 2.758 20 0 JFADRP CCc1nnc(N2CCN(C[C@H]3C[NH+](C(C)C)CCO3)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001293131342 1065783040 /nfs/dbraw/zinc/78/30/40/1065783040.db2.gz OGQWJPZXRRQPTQ-RPWUZVMVSA-N 2 0 475.726 2.726 20 0 JFADRP CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001293374514 1065980283 /nfs/dbraw/zinc/98/02/83/1065980283.db2.gz VSFLUWHHCXMQMX-YPAWHYETSA-N 2 0 480.723 2.613 20 0 JFADRP CC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CC[NH+](CC)CC3)nc2)CC[N@@H+]1CCOC ZINC001293520552 1066042173 /nfs/dbraw/zinc/04/21/73/1066042173.db2.gz XXZHWBVQCVWPJV-HSZRJFAPSA-N 2 0 498.720 2.708 20 0 JFADRP CC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[NH+](C(C)C)C2)CC[N@@H+]1CCOC ZINC001293635128 1066150752 /nfs/dbraw/zinc/15/07/52/1066150752.db2.gz LFXPMQUTYLNNSI-RPWUZVMVSA-N 2 0 486.709 2.807 20 0 JFADRP CCC[C@H]1CN(c2nnc(-c3ccc[nH]3)n2C[C@]2([NH+](C)C)CCSC2)CC[N@@H+]1CCOC ZINC001294077439 1066546978 /nfs/dbraw/zinc/54/69/78/1066546978.db2.gz PFIBYCQWSTWTMS-WMZHIEFXSA-N 2 0 461.680 2.648 20 0 JFADRP CCC[C@@H]1CN(c2nnc(C3CCCC3)n2CCN2CC[NH+](C)C(C)(C)C2)CC[N@@H+]1CCOC ZINC001294081758 1066550113 /nfs/dbraw/zinc/55/01/13/1066550113.db2.gz OQJPPRJMNJQLQX-HSZRJFAPSA-N 2 0 475.726 2.899 20 0 JFADRP Clc1ncc2c(c1N1CCN3CC[NH2+]C[C@@H]3C1)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164408506 718838250 /nfs/dbraw/zinc/83/82/50/718838250.db2.gz ZQTLDDQEXOLSKW-HXUWFJFHSA-N 2 0 454.018 2.850 20 0 JFADRP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(OC4CC[NH2+]CC4)nn3)CC2)c2ccccc21 ZINC001164680109 719678360 /nfs/dbraw/zinc/67/83/60/719678360.db2.gz CLTZURZIVUEGFI-NRFANRHFSA-N 2 0 492.668 2.701 20 0 JFADRP CC(C)N(c1ccc(C[NH+]2CCCC2)cn1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001164687799 719686985 /nfs/dbraw/zinc/68/69/85/719686985.db2.gz VJFMWKJIJNVISV-UHFFFAOYSA-N 2 0 451.619 2.539 20 0 JFADRP CN1CC2(CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC2)COc2ccccc2S1(=O)=O ZINC001164690545 719780214 /nfs/dbraw/zinc/78/02/14/719780214.db2.gz DOWZNDDBKOQTMS-UHFFFAOYSA-N 2 0 486.638 2.854 20 0 JFADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164719665 720126816 /nfs/dbraw/zinc/12/68/16/720126816.db2.gz ZUGDOVQHKZNZBW-QHCPKHFHSA-N 2 0 450.631 2.736 20 0 JFADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)CC2 ZINC001164714838 720134101 /nfs/dbraw/zinc/13/41/01/720134101.db2.gz ZTYFFEJTXAWUDC-HSZRJFAPSA-N 3 0 450.631 2.912 20 0 JFADRP Clc1nc2c(c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n1)CC[NH2+]C2 ZINC001164748539 720877354 /nfs/dbraw/zinc/87/73/54/720877354.db2.gz FVGSFQRPCMLSQT-CPJSRVTESA-N 2 0 469.033 2.926 20 0 JFADRP CN1C[C@H](COCC2CC2)[C@@H]2CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC[C@@H]2C1=O ZINC001164857278 721030694 /nfs/dbraw/zinc/03/06/94/721030694.db2.gz CEHVZOULBPNNAV-QDSKXPNFSA-N 2 0 456.631 2.902 20 0 JFADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC2)C1 ZINC001164879191 721294185 /nfs/dbraw/zinc/29/41/85/721294185.db2.gz WOSLEVCICGPVSN-UHFFFAOYSA-N 2 0 498.018 2.664 20 0 JFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@H]4CN(C(=O)c5ccsc5)CCO[C@H]4C3)c2)CC1 ZINC001164874850 721299452 /nfs/dbraw/zinc/29/94/52/721299452.db2.gz DHZADHIASQKTRZ-AVRDEDQJSA-N 2 0 456.612 2.984 20 0 JFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4CN(C(=O)c5ccsc5)CCO[C@@H]4C3)c2)CC1 ZINC001164874859 721299673 /nfs/dbraw/zinc/29/96/73/721299673.db2.gz DHZADHIASQKTRZ-XMSQKQJNSA-N 2 0 456.612 2.984 20 0 JFADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)CC2 ZINC001164783987 721464076 /nfs/dbraw/zinc/46/40/76/721464076.db2.gz GPUVORLBOFQDCB-HSZRJFAPSA-N 3 0 457.663 2.743 20 0 JFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)N4c4nccs4)C3)c2)CC1 ZINC001164899758 721495668 /nfs/dbraw/zinc/49/56/68/721495668.db2.gz KUFGAJJMHFHRFQ-WOIUINJBSA-N 2 0 480.642 2.777 20 0 JFADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cnc(Cl)c(C4=CC[NH2+]CC4)c2)CC3)CC1 ZINC001164796421 721522414 /nfs/dbraw/zinc/52/24/14/721522414.db2.gz YHYGQBRXZSKKPK-UHFFFAOYSA-N 2 0 477.991 2.621 20 0 JFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4OCC[C@@H](C(=O)NCCc5ccncc5)[C@H]4C3)c2)CC1 ZINC001165012820 721754201 /nfs/dbraw/zinc/75/42/01/721754201.db2.gz HKCDOTADYQWMHM-SDHSZQHLSA-N 2 0 479.625 2.540 20 0 JFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4OCC[C@@H](C(=O)NCCc5ccncc5)[C@@H]4C3)c2)CC1 ZINC001165012814 721754415 /nfs/dbraw/zinc/75/44/15/721754415.db2.gz HKCDOTADYQWMHM-DSITVLBTSA-N 2 0 479.625 2.540 20 0 JFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4C(=O)N(Cc5cccc(F)c5)CCO[C@@H]4C3)c2)CC1 ZINC001164970347 722082465 /nfs/dbraw/zinc/08/24/65/722082465.db2.gz WUXGYAAEPUKXIS-BJKOFHAPSA-N 2 0 468.573 2.948 20 0 JFADRP CC(=O)N1CCC[NH+]([C@H]2CN(c3nnc(C4CCCC4)n3CC[N@@H+](C)C(C)C)C[C@H]2C)CC1 ZINC001286869363 1061260369 /nfs/dbraw/zinc/26/03/69/1061260369.db2.gz DVKNWLACNRBDIV-OFNKIYASSA-N 2 0 459.683 2.655 20 0 JFADRP Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H]2CCC[N@@H+]2CCCO)cc1C ZINC001289743328 1061359911 /nfs/dbraw/zinc/35/99/11/1061359911.db2.gz NSKDGFMZBUOGHP-XMMPIXPASA-N 2 0 497.688 2.772 20 0 JFADRP Cc1ccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC001289824426 1061490533 /nfs/dbraw/zinc/49/05/33/1061490533.db2.gz KETKFNJZTFRCFT-UHFFFAOYSA-N 2 0 469.678 2.722 20 0 JFADRP Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC2(O)CC[NH+](C(C)C)CC2)n1 ZINC001289973774 1061686272 /nfs/dbraw/zinc/68/62/72/1061686272.db2.gz WZNKBOSXBKHRLQ-UHFFFAOYSA-N 2 0 455.651 2.804 20 0 JFADRP Cc1cccc(-c2nnc(N3CC[NH+](CC4CCCCC4)CC3)n2CCOCC[NH+](C)C)n1 ZINC001289985635 1061710922 /nfs/dbraw/zinc/71/09/22/1061710922.db2.gz OUBNBPZEBVAHLO-UHFFFAOYSA-N 2 0 455.651 2.929 20 0 JFADRP COc1ccc([C@H](CNC(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)[NH+]2CCCC2)cc1 ZINC001290006140 1061731429 /nfs/dbraw/zinc/73/14/29/1061731429.db2.gz TWIFLUPEQBYVKK-QHCPKHFHSA-N 2 0 451.571 2.879 20 0 JFADRP Cc1ccccc1Cc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@H](C)[NH+](C)C ZINC001290164727 1061906016 /nfs/dbraw/zinc/90/60/16/1061906016.db2.gz WGBHYSOKDHGDNA-LADGPHEKSA-N 2 0 453.679 2.732 20 0 JFADRP Cc1ccccc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001290196944 1061938149 /nfs/dbraw/zinc/93/81/49/1061938149.db2.gz OIZOXLVCNRKUJR-UHFFFAOYSA-N 2 0 467.662 2.921 20 0 JFADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@]2(O)CC[NH+](C)C2)C1 ZINC001294460569 1062009137 /nfs/dbraw/zinc/00/91/37/1062009137.db2.gz GSGSQUPXRMOHQI-WZONZLPQSA-N 2 0 491.478 2.942 20 0 JFADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CC[NH+](C)C2)C1 ZINC001294470428 1062024114 /nfs/dbraw/zinc/02/41/14/1062024114.db2.gz LMAUGMWPRHPHQQ-YADARESESA-N 2 0 477.053 2.745 20 0 JFADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001294475567 1062027860 /nfs/dbraw/zinc/02/78/60/1062027860.db2.gz WCXQQRDJAQMPOM-NRFANRHFSA-N 2 0 455.651 2.543 20 0 JFADRP CCC[N@H+](CC)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001294516491 1062053981 /nfs/dbraw/zinc/05/39/81/1062053981.db2.gz UEIPANVCYXUGGK-LJQANCHMSA-N 2 0 476.695 2.501 20 0 JFADRP CCC[N@H+](CC)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC001294527090 1062064080 /nfs/dbraw/zinc/06/40/80/1062064080.db2.gz LUOFYSKWEUVNRR-RTBURBONSA-N 2 0 459.664 2.674 20 0 JFADRP Cc1nc(Cc2nnc(N3CC[NH+](CC(C)C)CC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cs1 ZINC001290432336 1062194925 /nfs/dbraw/zinc/19/49/25/1062194925.db2.gz MPTLXRXFKGSTFK-HXUWFJFHSA-N 2 0 475.707 2.913 20 0 JFADRP CCC[N@@H+]1CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[NH+](CC)[C@H](C)C2)C1 ZINC001294671438 1062230462 /nfs/dbraw/zinc/23/04/62/1062230462.db2.gz WRIBJXRXJRBKST-MOPGFXCFSA-N 2 0 459.664 2.532 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001294683614 1062242837 /nfs/dbraw/zinc/24/28/37/1062242837.db2.gz JYPFZPULYXZWPZ-VQTJNVASSA-N 2 0 459.664 2.904 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001294684212 1062244149 /nfs/dbraw/zinc/24/41/49/1062244149.db2.gz UDHBEPPLZUAIBA-FCHUYYIVSA-N 2 0 494.750 2.859 20 0 JFADRP CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001294708363 1062274819 /nfs/dbraw/zinc/27/48/19/1062274819.db2.gz IMQYIGRNEOAHKN-JTHBVZDNSA-N 2 0 455.651 2.685 20 0 JFADRP CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001287213848 1062674109 /nfs/dbraw/zinc/67/41/09/1062674109.db2.gz FWSGCICQDSUMHS-UXHICEINSA-N 2 0 459.664 2.509 20 0 JFADRP Cc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001290769734 1062685363 /nfs/dbraw/zinc/68/53/63/1062685363.db2.gz KYGBCFNXTHOLEX-QFIPXVFZSA-N 2 0 459.683 2.525 20 0 JFADRP CC(C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001287222391 1062707920 /nfs/dbraw/zinc/70/79/20/1062707920.db2.gz CYENPEUJGLODCD-HSZRJFAPSA-N 2 0 475.726 2.897 20 0 JFADRP CC(C)C[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1)[NH+](C)C ZINC001287328928 1062804372 /nfs/dbraw/zinc/80/43/72/1062804372.db2.gz OXPPBAKLGJIDKF-RPWUZVMVSA-N 2 0 498.720 2.548 20 0 JFADRP CC(C)C[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1)[NH+](C)C ZINC001287329173 1062805032 /nfs/dbraw/zinc/80/50/32/1062805032.db2.gz RTRJEACWAUDNSP-DQEYMECFSA-N 2 0 498.720 2.548 20 0 JFADRP CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001287461676 1062899013 /nfs/dbraw/zinc/89/90/13/1062899013.db2.gz ABNHZRAZMGOHNJ-SFTDATJTSA-N 2 0 473.691 2.584 20 0 JFADRP CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001287462314 1062902532 /nfs/dbraw/zinc/90/25/32/1062902532.db2.gz MZZUTXDCWNYVIJ-HSZRJFAPSA-N 2 0 473.710 2.876 20 0 JFADRP CC(C)[N@@H+]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001291012419 1062916252 /nfs/dbraw/zinc/91/62/52/1062916252.db2.gz ZCPLWIFALSSFML-ZLNRFVROSA-N 2 0 494.750 2.859 20 0 JFADRP C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001291012674 1062918120 /nfs/dbraw/zinc/91/81/20/1062918120.db2.gz CSYGCCWINNECQV-NJDAHSKKSA-N 2 0 497.754 2.567 20 0 JFADRP CC(C)Cc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001287475887 1062926099 /nfs/dbraw/zinc/92/60/99/1062926099.db2.gz AXYKGRKLUGEBED-UHFFFAOYSA-N 2 0 470.662 2.766 20 0 JFADRP CC[N@H+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@H](C)[NH+](CC)C[C@@H]2C)c1 ZINC001295126310 1062941339 /nfs/dbraw/zinc/94/13/39/1062941339.db2.gz DVLXDTGATVOPRL-SFTDATJTSA-N 2 0 467.662 2.933 20 0 JFADRP CC(C)C[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001287748657 1063072356 /nfs/dbraw/zinc/07/23/56/1063072356.db2.gz AVUGXRKIGSBSDP-ZEQKJWHPSA-N 2 0 492.709 2.598 20 0 JFADRP CC(C)NC(=O)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001291103256 1063079741 /nfs/dbraw/zinc/07/97/41/1063079741.db2.gz ASHAJUGLQRVSIT-LEWJYISDSA-N 2 0 459.683 2.991 20 0 JFADRP CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC001291106642 1063093991 /nfs/dbraw/zinc/09/39/91/1063093991.db2.gz YQVADIWGVGVZKJ-KCZVDYSFSA-N 2 0 459.683 2.906 20 0 JFADRP CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001291144713 1063226606 /nfs/dbraw/zinc/22/66/06/1063226606.db2.gz TVHCKHIOSPBOTO-GGAORHGYSA-N 2 0 494.750 2.857 20 0 JFADRP CC(C)[N@H+](C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001291180066 1063270996 /nfs/dbraw/zinc/27/09/96/1063270996.db2.gz SZKVCHFEENFBLX-GOTSBHOMSA-N 2 0 494.750 2.859 20 0 JFADRP CC(C)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001291180199 1063271342 /nfs/dbraw/zinc/27/13/42/1063271342.db2.gz WFTZBSOQWRSWNN-BWKNWUBXSA-N 2 0 491.750 2.802 20 0 JFADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001291181881 1063276961 /nfs/dbraw/zinc/27/69/61/1063276961.db2.gz VXXFEBZNMJAXNC-NRFANRHFSA-N 2 0 497.754 2.569 20 0 JFADRP C[C@@H]1C[N@H+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CCC[NH+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC001291187969 1063299110 /nfs/dbraw/zinc/29/91/10/1063299110.db2.gz BZBWOLHIZUFSBR-OYRHEFFESA-N 2 0 489.709 2.599 20 0 JFADRP CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001295363358 1063324316 /nfs/dbraw/zinc/32/43/16/1063324316.db2.gz VBVHDEHGLIUTFX-ZWKOTPCHSA-N 2 0 494.482 2.925 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001295465504 1063470179 /nfs/dbraw/zinc/47/01/79/1063470179.db2.gz XTPOUPZUSAHMMN-XMMPIXPASA-N 2 0 477.053 2.984 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001295472205 1063477772 /nfs/dbraw/zinc/47/77/72/1063477772.db2.gz JBKNSMKMTIQBOR-NHCUHLMSSA-N 2 0 480.723 2.611 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001295482444 1063501758 /nfs/dbraw/zinc/50/17/58/1063501758.db2.gz ONDDUQXNKDVINJ-XMMPIXPASA-N 2 0 492.672 2.577 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCC3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001295483852 1063509184 /nfs/dbraw/zinc/50/91/84/1063509184.db2.gz JMZGHLIRGOKGSD-FQEVSTJZSA-N 2 0 473.691 2.900 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CC3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001295484942 1063513001 /nfs/dbraw/zinc/51/30/01/1063513001.db2.gz RQWIJLAOIIKGPV-JOCHJYFZSA-N 2 0 459.683 2.656 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001295484759 1063513123 /nfs/dbraw/zinc/51/31/23/1063513123.db2.gz RKAIXMLAZBFUDM-HXUWFJFHSA-N 2 0 494.644 2.541 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CC[N@H+](CC)C2)CC1 ZINC001295490703 1063517742 /nfs/dbraw/zinc/51/77/42/1063517742.db2.gz FQUFVJAMDMZLAH-HSZRJFAPSA-N 2 0 481.689 2.510 20 0 JFADRP CC[NH+](CC)Cc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001295502446 1063536400 /nfs/dbraw/zinc/53/64/00/1063536400.db2.gz GDZATTGRFRWDMJ-SIKLNZKXSA-N 2 0 453.635 2.650 20 0 JFADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001295511462 1063545903 /nfs/dbraw/zinc/54/59/03/1063545903.db2.gz JCZLWJSRAPMMAX-QFIPXVFZSA-N 2 0 450.635 2.957 20 0 JFADRP CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3cccnc3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001295515807 1063549940 /nfs/dbraw/zinc/54/99/40/1063549940.db2.gz CEHRFESDJKNKGO-HSZRJFAPSA-N 2 0 469.678 2.667 20 0 JFADRP CC[NH+](CC)CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[NH+](C(C)C)CC1 ZINC001295533624 1063570508 /nfs/dbraw/zinc/57/05/08/1063570508.db2.gz FRODHNOZDJOVAX-UHFFFAOYSA-N 2 0 452.607 2.856 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001295551185 1063584255 /nfs/dbraw/zinc/58/42/55/1063584255.db2.gz QKMCNMTWFMRZMN-HXUWFJFHSA-N 2 0 473.641 2.998 20 0 JFADRP C[C@@H]1C[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCC(C[NH+]3CCOCC3)CC2)C[C@@H](C)O1 ZINC001291291336 1063670304 /nfs/dbraw/zinc/67/03/04/1063670304.db2.gz NHHJTODESFTRDF-FGZHOGPDSA-N 2 0 476.710 2.915 20 0 JFADRP C[C@@H]1C[N@H+](CCCn2c(CC(C)(C)C)nnc2N2CC[NH+](C[C@@H]3CCOC3)CC2)CCCO1 ZINC001291292684 1063678438 /nfs/dbraw/zinc/67/84/38/1063678438.db2.gz IAJFFXBBLJXDCH-YADHBBJMSA-N 2 0 462.683 2.526 20 0 JFADRP CC[N@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](CCc2cccs2)CC1)C(C)C ZINC001295815888 1063820783 /nfs/dbraw/zinc/82/07/83/1063820783.db2.gz NYTFJHNJMNSUKG-UHFFFAOYSA-N 2 0 473.691 2.671 20 0 JFADRP CC[N@H+](CCn1c([C@@H]2CCOC2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)C(C)C ZINC001295854350 1063882760 /nfs/dbraw/zinc/88/27/60/1063882760.db2.gz VTLLQOOXLFPEAF-RJGXRXQPSA-N 2 0 461.699 2.507 20 0 JFADRP CC[N@H+](CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](CC)[C@H](C)C1)C(C)C ZINC001295856471 1063887027 /nfs/dbraw/zinc/88/70/27/1063887027.db2.gz MDRGRDIUUDPKQK-RTWAWAEBSA-N 2 0 493.697 2.847 20 0 JFADRP CC[C@H](C)c1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001291471083 1064032815 /nfs/dbraw/zinc/03/28/15/1064032815.db2.gz YVLQUVHDBVEFBG-CDNNERCOSA-N 2 0 473.710 2.902 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001295982507 1064035775 /nfs/dbraw/zinc/03/57/75/1064035775.db2.gz UGFFEHVDZNRGCF-IUBSTNSRSA-N 2 0 450.672 2.968 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C ZINC001295996208 1064052455 /nfs/dbraw/zinc/05/24/55/1064052455.db2.gz NAHMRJHQBGLKNL-UXHICEINSA-N 2 0 466.634 2.586 20 0 JFADRP CC[C@@H](C)c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001291502306 1064052798 /nfs/dbraw/zinc/05/27/98/1064052798.db2.gz FGMJORGZYADKFI-XXBNENTESA-N 2 0 450.697 2.778 20 0 JFADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccccc3C)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001296003431 1064058887 /nfs/dbraw/zinc/05/88/87/1064058887.db2.gz UEWGTFFORHWLSD-FCHUYYIVSA-N 2 0 454.663 2.943 20 0 JFADRP CC[NH+]1CCC(CCn2c(N3CCN(C[C@@H]4C[N@@H+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)CC1 ZINC001296031312 1064089418 /nfs/dbraw/zinc/08/94/18/1064089418.db2.gz UIPWOFLFSMUTAW-XMMPIXPASA-N 2 0 489.753 2.929 20 0 JFADRP CC[N@@H+]1CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001296033029 1064090902 /nfs/dbraw/zinc/09/09/02/1064090902.db2.gz IIATVSPALOFXTC-IBGZPJMESA-N 2 0 454.623 2.578 20 0 JFADRP CC[N@@H+]1CC[C@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[NH+](CC)[C@@H](C)C2)C1 ZINC001296033720 1064092395 /nfs/dbraw/zinc/09/23/95/1064092395.db2.gz NUBVRHADRWUTGP-ICSRJNTNSA-N 2 0 474.053 2.734 20 0 JFADRP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001291579256 1064105455 /nfs/dbraw/zinc/10/54/55/1064105455.db2.gz IOQWPZWBLNALOI-BDTNDASRSA-N 2 0 459.683 2.655 20 0 JFADRP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001291579632 1064106663 /nfs/dbraw/zinc/10/66/63/1064106663.db2.gz KDTFUOILNHVPSE-VJBMBRPKSA-N 2 0 485.652 2.976 20 0 JFADRP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001291579631 1064106666 /nfs/dbraw/zinc/10/66/66/1064106666.db2.gz KDTFUOILNHVPSE-PMOQBDJRSA-N 2 0 485.652 2.976 20 0 JFADRP CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001296059433 1064122253 /nfs/dbraw/zinc/12/22/53/1064122253.db2.gz FQDMCGHGRPKBCJ-NRFANRHFSA-N 2 0 474.675 2.800 20 0 JFADRP CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001296084733 1064152234 /nfs/dbraw/zinc/15/22/34/1064152234.db2.gz ODVHCOQIHYBDHJ-LEWJYISDSA-N 2 0 456.635 2.985 20 0 JFADRP CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001296088429 1064158922 /nfs/dbraw/zinc/15/89/22/1064158922.db2.gz LAIXYCNIALNOEN-UNMCSNQZSA-N 2 0 486.661 2.994 20 0 JFADRP CC[C@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001291620523 1064159931 /nfs/dbraw/zinc/15/99/31/1064159931.db2.gz JWCKOQONOFTNBH-YYDVJCTNSA-N 2 0 450.697 2.918 20 0 JFADRP CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001291626805 1064167709 /nfs/dbraw/zinc/16/77/09/1064167709.db2.gz AJCPDMNAAAIFNJ-LADGPHEKSA-N 2 0 483.705 2.673 20 0 JFADRP CC[C@@H](C)[N@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001291760021 1064241406 /nfs/dbraw/zinc/24/14/06/1064241406.db2.gz MQNWIACXSMCPBR-LJQANCHMSA-N 2 0 490.722 2.807 20 0 JFADRP CC[C@H](C)[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001291761984 1064243190 /nfs/dbraw/zinc/24/31/90/1064243190.db2.gz RHNNQKWQFOUFOF-ROUUACIJSA-N 2 0 496.498 2.933 20 0 JFADRP CC[C@@H](C)[N@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001291766676 1064247996 /nfs/dbraw/zinc/24/79/96/1064247996.db2.gz DYLLLMPHPFGVFX-NHCUHLMSSA-N 2 0 456.635 2.985 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3cccc(Br)c3)n2CCOCC[NH+](C)C)C[C@H]1C ZINC001296142744 1064251012 /nfs/dbraw/zinc/25/10/12/1064251012.db2.gz MXUXWJPVCVBNKJ-QGZVFWFLSA-N 2 0 465.440 2.816 20 0 JFADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C)[NH+](C)C)C[C@H]1C ZINC001296160814 1064274950 /nfs/dbraw/zinc/27/49/50/1064274950.db2.gz PMHJJDXILVICBZ-XUVXKRRUSA-N 2 0 463.671 2.873 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2C[C@@H](OC)C(C)C)C[C@@H]1C ZINC001296165431 1064284645 /nfs/dbraw/zinc/28/46/45/1064284645.db2.gz JJGAWQFURJHSQJ-UKILVPOCSA-N 2 0 483.705 2.844 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001296167110 1064288977 /nfs/dbraw/zinc/28/89/77/1064288977.db2.gz QRXZWNCVGZZFPG-UXHICEINSA-N 2 0 473.691 2.922 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001296167881 1064291495 /nfs/dbraw/zinc/29/14/95/1064291495.db2.gz VHXJMGUGQLQJLQ-VWNXMTODSA-N 2 0 470.662 2.787 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCC[NH+]2CCC[C@H]2C(=O)N(C)C)C[C@H]1C ZINC001296174815 1064302755 /nfs/dbraw/zinc/30/27/55/1064302755.db2.gz RWRMNIDNWXYNEU-VWNXMTODSA-N 2 0 497.688 2.639 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001296175000 1064302867 /nfs/dbraw/zinc/30/28/67/1064302867.db2.gz URYXLUKGKVGWDR-FGZHOGPDSA-N 2 0 486.661 2.753 20 0 JFADRP CCN1CC[NH+](C[C@H](C)Cn2c(C(C)C)nnc2N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC001296183293 1064327745 /nfs/dbraw/zinc/32/77/45/1064327745.db2.gz CUYOKXBHFSBCJP-ISJGIBHGSA-N 2 0 488.769 2.670 20 0 JFADRP CCN1CC[NH+](C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001296190686 1064339648 /nfs/dbraw/zinc/33/96/48/1064339648.db2.gz DUQZMJXRMQZZNI-HBMCJLEFSA-N 2 0 488.750 2.826 20 0 JFADRP CCN1CC[NH+](CCCCn2c(C(C)C)nnc2N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC001296191834 1064343126 /nfs/dbraw/zinc/34/31/26/1064343126.db2.gz CEBIEFVLKBOWFH-QFIPXVFZSA-N 2 0 461.699 2.509 20 0 JFADRP CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001296192493 1064346005 /nfs/dbraw/zinc/34/60/05/1064346005.db2.gz MLGZQDSFIQNMBM-VXKWHMMOSA-N 2 0 461.699 2.714 20 0 JFADRP CCN1CC[NH+](CCCCn2c(Cc3ccccn3)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001296202976 1064379890 /nfs/dbraw/zinc/37/98/90/1064379890.db2.gz JRPSFYKFDRVPEQ-GOTSBHOMSA-N 2 0 468.694 2.601 20 0 JFADRP CCN1CC[NH+](CCCCn2c(Cc3ccccn3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001296202977 1064379942 /nfs/dbraw/zinc/37/99/42/1064379942.db2.gz JRPSFYKFDRVPEQ-PKTZIBPZSA-N 2 0 468.694 2.601 20 0 JFADRP CCn1nc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001296218953 1064430805 /nfs/dbraw/zinc/43/08/05/1064430805.db2.gz GEJROFIDCNLSNB-IBGZPJMESA-N 2 0 466.634 2.546 20 0 JFADRP CC[C@H](Cn1c(C(C)C)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1)[NH+]1CCCC1 ZINC001292162059 1064946836 /nfs/dbraw/zinc/94/68/36/1064946836.db2.gz IBDXXAPMTMFLCA-WWNPGLIZSA-N 2 0 459.683 2.655 20 0 JFADRP CC[C@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[N@@H+](C(C)C)CC1)OC ZINC001292242383 1065024806 /nfs/dbraw/zinc/02/48/06/1065024806.db2.gz JWFRYEKMMDKTNO-RUZDIDTESA-N 2 0 483.705 2.988 20 0 JFADRP CCc1ccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[NH+](CC(C)C)CC2)[NH+](C)C)cc1 ZINC001292458444 1065181576 /nfs/dbraw/zinc/18/15/76/1065181576.db2.gz OWZUCTHQVIQGQN-GOTSBHOMSA-N 2 0 467.662 2.873 20 0 JFADRP CCc1ccccc1OCc1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001292616788 1065351769 /nfs/dbraw/zinc/35/17/69/1065351769.db2.gz XZEDZCBCGBSIRG-DHIUTWEWSA-N 2 0 483.705 2.976 20 0 JFADRP CCc1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001292894370 1065596047 /nfs/dbraw/zinc/59/60/47/1065596047.db2.gz XGNUJDGLIJFDTG-HYVLGVRCSA-N 2 0 487.737 2.976 20 0 JFADRP CCc1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001292894343 1065596103 /nfs/dbraw/zinc/59/61/03/1065596103.db2.gz WXWWLHBFPJWCLV-WDJPJFJCSA-N 2 0 485.652 2.661 20 0 JFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC001292948616 1065629025 /nfs/dbraw/zinc/62/90/25/1065629025.db2.gz HFEHPUXKYCTWCD-QGZVFWFLSA-N 2 0 453.425 2.534 20 0 JFADRP CCc1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292993646 1065681382 /nfs/dbraw/zinc/68/13/82/1065681382.db2.gz FZTJVGLELJCVPW-OYRHEFFESA-N 2 0 462.683 2.810 20 0 JFADRP CCc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001293044598 1065709293 /nfs/dbraw/zinc/70/92/93/1065709293.db2.gz MKNZNLFGGIXJCG-FQEVSTJZSA-N 2 0 481.567 2.996 20 0 JFADRP CC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2([NH+](C)C)CCSC2)CC[N@@H+]1CCOC ZINC001293556941 1066071128 /nfs/dbraw/zinc/07/11/28/1066071128.db2.gz KQWOOQZSVFGFPJ-PXDATVDWSA-N 2 0 488.702 2.938 20 0 JFADRP CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2CCN2CC[NH+](C)C(C)(C)C2)CC[N@@H+]1CCOC ZINC001293566145 1066078515 /nfs/dbraw/zinc/07/85/15/1066078515.db2.gz CRDJPZAWNINIGN-JOCHJYFZSA-N 2 0 499.704 2.527 20 0 JFADRP CC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC[N@@H+]1CCOC ZINC001293587776 1066095521 /nfs/dbraw/zinc/09/55/21/1066095521.db2.gz QSRGUGLFXUIPPQ-FYYLOGMGSA-N 2 0 492.709 2.956 20 0 JFADRP CCC[C@H]1CN(c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCCCC2)CC[N@@H+]1CCOC ZINC001294076363 1066545551 /nfs/dbraw/zinc/54/55/51/1066545551.db2.gz JANBRLQHCVUQBL-NRFANRHFSA-N 2 0 470.666 2.937 20 0 JFADRP CCC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCC(C)CC2)CC[N@@H+]1CCOC ZINC001294082146 1066550609 /nfs/dbraw/zinc/55/06/09/1066550609.db2.gz PWPZSHRCDYIYBQ-DHIUTWEWSA-N 2 0 462.683 2.841 20 0 JFADRP O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC[C@H]4[NH2+]CCO[C@@H]4C3)c21 ZINC001164389568 718824191 /nfs/dbraw/zinc/82/41/91/718824191.db2.gz IQVQGPFTJSZOQC-WOJBJXKFSA-N 2 0 468.985 2.964 20 0 JFADRP CC(C)N(c1ccc(C[N@H+](C)C2CC2)cn1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001164688210 719686819 /nfs/dbraw/zinc/68/68/19/719686819.db2.gz XSCPASFWDIDQDA-UHFFFAOYSA-N 2 0 451.619 2.537 20 0 JFADRP Cn1nnc2c1CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717761 720175247 /nfs/dbraw/zinc/17/52/47/720175247.db2.gz MHMYDBXCGXVRCN-AREMUKBSSA-N 2 0 487.652 2.985 20 0 JFADRP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ccc(N4CC[NH2+]CC4)cn2)C3)c1 ZINC001164750650 720899965 /nfs/dbraw/zinc/89/99/65/720899965.db2.gz BLSDDNJCHXMOLA-SQHAQQRYSA-N 2 0 462.642 2.641 20 0 JFADRP COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001164778759 721324462 /nfs/dbraw/zinc/32/44/62/721324462.db2.gz RDOGJMZDIWJIQQ-UHFFFAOYSA-N 2 0 476.581 2.742 20 0 JFADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1C[NH2+]CC3)CC2 ZINC001164785975 721450214 /nfs/dbraw/zinc/45/02/14/721450214.db2.gz KPWAJUUGMJWYRZ-SFHVURJKSA-N 2 0 450.027 2.510 20 0 JFADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164783603 721462268 /nfs/dbraw/zinc/46/22/68/721462268.db2.gz DPZHRSXCCGWFLK-HSZRJFAPSA-N 2 0 457.663 2.567 20 0 JFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4COC[C@H](CC(=O)N5CCC(F)CC5)[C@@H]4C3)c2)CC1 ZINC001164895132 721479121 /nfs/dbraw/zinc/47/91/21/721479121.db2.gz RBUMXXQQELTONZ-YYDVJCTNSA-N 2 0 460.594 2.604 20 0 JFADRP Cc1cccc(CN2CCO[C@H]3CN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)CC[C@@H]3C2=O)n1 ZINC001164800826 721603273 /nfs/dbraw/zinc/60/32/73/721603273.db2.gz OQXCCILHDCREMC-ZEQRLZLVSA-N 2 0 465.598 2.512 20 0 JFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@H]4C(=O)N(Cc5cccc(F)c5)CCO[C@@H]4C3)c2)CC1 ZINC001164970349 722082394 /nfs/dbraw/zinc/08/23/94/722082394.db2.gz WUXGYAAEPUKXIS-DNQXCXABSA-N 2 0 468.573 2.948 20 0 JFADRP CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CC3([NH+](C)C)CCC3)C[C@H]2C)CC1 ZINC001286868461 1061256566 /nfs/dbraw/zinc/25/65/66/1061256566.db2.gz AHWAWGBGQXQWCJ-IRLDBZIGSA-N 2 0 473.710 2.730 20 0 JFADRP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C4CCCC4)n3CC[N@@H+](C)C(C)C)C[C@H]2C)CC1 ZINC001286869103 1061260511 /nfs/dbraw/zinc/26/05/11/1061260511.db2.gz DVKNWLACNRBDIV-NFBKMPQASA-N 2 0 459.683 2.655 20 0 JFADRP CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CC[NH+]3CCC(C)CC3)C[C@@H]2C)CC1 ZINC001286869523 1061262453 /nfs/dbraw/zinc/26/24/53/1061262453.db2.gz FJQNKPIIWPHLMM-UPVQGACJSA-N 2 0 487.737 2.978 20 0 JFADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(-c4ccccn4)n3CC[NH+](C(C)C)C(C)C)C[C@H]2C)CC1 ZINC001286870296 1061265404 /nfs/dbraw/zinc/26/54/04/1061265404.db2.gz IPMUTQYBLQHSKQ-RCZVLFRGSA-N 2 0 496.704 2.838 20 0 JFADRP CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(-c4ccccn4)n3CC[NH+](C(C)C)C(C)C)C[C@@H]2C)CC1 ZINC001286870292 1061265455 /nfs/dbraw/zinc/26/54/55/1061265455.db2.gz IPMUTQYBLQHSKQ-DHLKQENFSA-N 2 0 496.704 2.838 20 0 JFADRP CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(CC(C)C)n3CC[NH+]3CCCC(C)(C)C3)C[C@H]2C)CC1 ZINC001286871409 1061271358 /nfs/dbraw/zinc/27/13/58/1061271358.db2.gz NUZQKMZQVBQWRH-VWNXMTODSA-N 2 0 487.737 2.978 20 0 JFADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C)n3C[C@@H](c3ccc(C)cc3)[NH+](C)C)C[C@H]2C)CC1 ZINC001286872943 1061282940 /nfs/dbraw/zinc/28/29/40/1061282940.db2.gz ZBEQSCABLBBEDM-ZPZUNKDASA-N 2 0 467.662 2.577 20 0 JFADRP Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001289971670 1061676275 /nfs/dbraw/zinc/67/62/75/1061676275.db2.gz FONYFQSIFXVZBL-QHCPKHFHSA-N 2 0 455.651 2.926 20 0 JFADRP Cc1cccc(C[NH+]2CCN(c3nnc(CN4CCCC4=O)n3CC(C)(C)C[NH+](C)C)CC2)c1 ZINC001290037719 1061755198 /nfs/dbraw/zinc/75/51/98/1061755198.db2.gz RNDGYHWXDVKTTN-UHFFFAOYSA-N 2 0 467.662 2.619 20 0 JFADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(O)CC[NH+](C)C2)C1 ZINC001294459980 1062007237 /nfs/dbraw/zinc/00/72/37/1062007237.db2.gz XJFQHHCVLGPBMP-FDDCHVKYSA-N 2 0 491.478 2.942 20 0 JFADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CC[NH+](C)C2)C1 ZINC001294470427 1062024227 /nfs/dbraw/zinc/02/42/27/1062024227.db2.gz LMAUGMWPRHPHQQ-NTKDMRAZSA-N 2 0 477.053 2.745 20 0 JFADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CC[NH+](C)C2)C1 ZINC001294470425 1062024298 /nfs/dbraw/zinc/02/42/98/1062024298.db2.gz LMAUGMWPRHPHQQ-CYFREDJKSA-N 2 0 477.053 2.745 20 0 JFADRP CCC[N@H+](CC)CCn1c(-c2ccccn2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001294513691 1062048145 /nfs/dbraw/zinc/04/81/45/1062048145.db2.gz ICSMEROONIROFX-QFIPXVFZSA-N 2 0 454.667 2.677 20 0 JFADRP Cc1nc(Cc2nnc(N(C)CC[NH+]3CCN(c4ccccc4)CC3)n2C[C@H](C)[NH+](C)C)cs1 ZINC001290400992 1062104241 /nfs/dbraw/zinc/10/42/41/1062104241.db2.gz JIFQHUGOMMGLIL-FQEVSTJZSA-N 2 0 482.702 2.842 20 0 JFADRP CCC[NH+]1CCC(Cn2c(C(C)C)nnc2N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)CC1 ZINC001294638174 1062152881 /nfs/dbraw/zinc/15/28/81/1062152881.db2.gz OLHLMYMUUZLUAF-DEOSSOPVSA-N 2 0 475.726 2.755 20 0 JFADRP CCC[N@@H+]1CC[C@H](Cn2c(Cc3ccccc3F)nnc2N2CC[NH+](CCOC)[C@@H](C)C2)C1 ZINC001294663163 1062216075 /nfs/dbraw/zinc/21/60/75/1062216075.db2.gz RZRSNOWKZTWYTB-SFTDATJTSA-N 2 0 458.626 2.897 20 0 JFADRP CCC[N@@H+]1CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[NH+](CC)[C@@H](C)C2)C1 ZINC001294671443 1062230016 /nfs/dbraw/zinc/23/00/16/1062230016.db2.gz WRIBJXRXJRBKST-RBUKOAKNSA-N 2 0 459.664 2.532 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001294684214 1062244240 /nfs/dbraw/zinc/24/42/40/1062244240.db2.gz UDHBEPPLZUAIBA-FGZHOGPDSA-N 2 0 494.750 2.859 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCOC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001294684612 1062244794 /nfs/dbraw/zinc/24/47/94/1062244794.db2.gz VAFUFMOGVNTTJV-PCCBWWKXSA-N 2 0 462.683 2.980 20 0 JFADRP CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001294694977 1062256178 /nfs/dbraw/zinc/25/61/78/1062256178.db2.gz XHRCRRUTUZWMPC-FGZHOGPDSA-N 2 0 459.683 2.947 20 0 JFADRP Cc1nnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1C[C@@H]1[NH+](C)CCCC1(C)C ZINC001290877394 1062762332 /nfs/dbraw/zinc/76/23/32/1062762332.db2.gz VRZCGRCMHYJMKH-DEOSSOPVSA-N 2 0 453.679 2.961 20 0 JFADRP CC(C)C[C@@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1)[NH+](C)C ZINC001287321281 1062797453 /nfs/dbraw/zinc/79/74/53/1062797453.db2.gz DPFMORPXAZPMEH-QFIPXVFZSA-N 2 0 480.665 2.818 20 0 JFADRP CC(C)C[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1)[NH+](C)C ZINC001287328927 1062804148 /nfs/dbraw/zinc/80/41/48/1062804148.db2.gz OXPPBAKLGJIDKF-DNQXCXABSA-N 2 0 498.720 2.548 20 0 JFADRP CC(C)C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1)[NH+](C)C ZINC001287328929 1062804268 /nfs/dbraw/zinc/80/42/68/1062804268.db2.gz OXPPBAKLGJIDKF-ZEQRLZLVSA-N 2 0 498.720 2.548 20 0 JFADRP CC(C)C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1)[NH+](C)C ZINC001287328926 1062804525 /nfs/dbraw/zinc/80/45/25/1062804525.db2.gz OXPPBAKLGJIDKF-BJKOFHAPSA-N 2 0 498.720 2.548 20 0 JFADRP CC(C)C[C@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[NH+](C(C)C)CC1)[NH+](C)C ZINC001287332797 1062810234 /nfs/dbraw/zinc/81/02/34/1062810234.db2.gz RVSRJBCJOAZABR-HXUWFJFHSA-N 2 0 490.722 2.745 20 0 JFADRP CC(C)C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CC2CCCCC2)CC1)[NH+](C)C ZINC001287334558 1062812075 /nfs/dbraw/zinc/81/20/75/1062812075.db2.gz XOQJQRCCNYNIDV-VXKWHMMOSA-N 2 0 459.683 2.908 20 0 JFADRP CC(C)C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[NH+](C)C ZINC001287335471 1062813211 /nfs/dbraw/zinc/81/32/11/1062813211.db2.gz VQYKDEXTUOTMIU-DNQXCXABSA-N 2 0 499.679 2.727 20 0 JFADRP CC(C)C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[NH+](C)C ZINC001287335472 1062813318 /nfs/dbraw/zinc/81/33/18/1062813318.db2.gz VQYKDEXTUOTMIU-RPWUZVMVSA-N 2 0 499.679 2.727 20 0 JFADRP CC(C)C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC001287335711 1062814764 /nfs/dbraw/zinc/81/47/64/1062814764.db2.gz WMISWALZGQSHDJ-RPWUZVMVSA-N 2 0 469.678 2.789 20 0 JFADRP CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001291068600 1063015925 /nfs/dbraw/zinc/01/59/25/1063015925.db2.gz QACBZBIHJIRERT-REHUZNOOSA-N 2 0 480.723 2.658 20 0 JFADRP CC(C)C[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001287748655 1063072638 /nfs/dbraw/zinc/07/26/38/1063072638.db2.gz AVUGXRKIGSBSDP-OZXSUGGESA-N 2 0 492.709 2.598 20 0 JFADRP CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC001291106644 1063093836 /nfs/dbraw/zinc/09/38/36/1063093836.db2.gz YQVADIWGVGVZKJ-SJBKTWHCSA-N 2 0 459.683 2.906 20 0 JFADRP CC(C)[N@@H+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCC[C@@H](C)C2)CC1 ZINC001291126103 1063153102 /nfs/dbraw/zinc/15/31/02/1063153102.db2.gz GRGVZHJUVKOBSC-HXUWFJFHSA-N 2 0 454.623 2.578 20 0 JFADRP C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCC(C)CC1 ZINC001291141530 1063215630 /nfs/dbraw/zinc/21/56/30/1063215630.db2.gz PHGSPZNFLGNKFX-NRFANRHFSA-N 2 0 459.683 2.945 20 0 JFADRP CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001291144715 1063226711 /nfs/dbraw/zinc/22/67/11/1063226711.db2.gz TVHCKHIOSPBOTO-JTHBVZDNSA-N 2 0 494.750 2.857 20 0 JFADRP CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001291144714 1063226868 /nfs/dbraw/zinc/22/68/68/1063226868.db2.gz TVHCKHIOSPBOTO-GMAHTHKFSA-N 2 0 494.750 2.857 20 0 JFADRP CC1CC[NH+](C[C@H]2CCCN(c3nnc(-c4cccnc4)n3CCOCC[NH+](C)C)C2)CC1 ZINC001291179333 1063268454 /nfs/dbraw/zinc/26/84/54/1063268454.db2.gz AXNUZFXODNEIBP-JOCHJYFZSA-N 2 0 455.651 2.867 20 0 JFADRP CC(C)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001291180200 1063271865 /nfs/dbraw/zinc/27/18/65/1063271865.db2.gz WFTZBSOQWRSWNN-OFVILXPXSA-N 2 0 491.750 2.802 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001295364740 1063326989 /nfs/dbraw/zinc/32/69/89/1063326989.db2.gz HHLQMJIUZHSXLE-WOJBJXKFSA-N 2 0 472.634 2.604 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001295366163 1063329617 /nfs/dbraw/zinc/32/96/17/1063329617.db2.gz NFSMQCUMCIHMTN-RTBURBONSA-N 2 0 462.664 2.609 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001295371006 1063336633 /nfs/dbraw/zinc/33/66/33/1063336633.db2.gz OFAMTJTWSHDFFZ-NHCUHLMSSA-N 2 0 456.635 2.843 20 0 JFADRP CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2OC)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001295371008 1063337385 /nfs/dbraw/zinc/33/73/85/1063337385.db2.gz OFAMTJTWSHDFFZ-SFTDATJTSA-N 2 0 456.635 2.843 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001295384085 1063358471 /nfs/dbraw/zinc/35/84/71/1063358471.db2.gz FIMHNBQWXHMPKI-FGZHOGPDSA-N 2 0 467.662 2.842 20 0 JFADRP CC[NH+](CC)[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001295384084 1063358580 /nfs/dbraw/zinc/35/85/80/1063358580.db2.gz FIMHNBQWXHMPKI-FCHUYYIVSA-N 2 0 467.662 2.842 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001295390305 1063369598 /nfs/dbraw/zinc/36/95/98/1063369598.db2.gz NICRYVIDMPGTLD-UFPGJGBJSA-N 2 0 492.709 2.739 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001295471945 1063476781 /nfs/dbraw/zinc/47/67/81/1063476781.db2.gz HHRAHSSFSDFEGB-NHCUHLMSSA-N 2 0 480.723 2.611 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001295471947 1063476850 /nfs/dbraw/zinc/47/68/50/1063476850.db2.gz HHRAHSSFSDFEGB-SFTDATJTSA-N 2 0 480.723 2.611 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001295482249 1063497944 /nfs/dbraw/zinc/49/79/44/1063497944.db2.gz HAAXRJYWVIUCJB-SANMLTNESA-N 2 0 499.729 2.681 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3)n2CC[NH+]2CCCCCC2)CC1 ZINC001295482605 1063503648 /nfs/dbraw/zinc/50/36/48/1063503648.db2.gz USQMUMFMIWMSEZ-UHFFFAOYSA-N 2 0 467.662 2.812 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCC3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001295483853 1063509205 /nfs/dbraw/zinc/50/92/05/1063509205.db2.gz JMZGHLIRGOKGSD-HXUWFJFHSA-N 2 0 473.691 2.900 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001295483842 1063509231 /nfs/dbraw/zinc/50/92/31/1063509231.db2.gz JDEMZRYKBDMMRX-UHFFFAOYSA-N 2 0 496.704 2.761 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001295484688 1063511805 /nfs/dbraw/zinc/51/18/05/1063511805.db2.gz QJOCERSUBMJMNO-JOCHJYFZSA-N 2 0 489.709 2.632 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001295484689 1063512052 /nfs/dbraw/zinc/51/20/52/1063512052.db2.gz QJOCERSUBMJMNO-QFIPXVFZSA-N 2 0 489.709 2.632 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001295484757 1063513203 /nfs/dbraw/zinc/51/32/03/1063513203.db2.gz RKAIXMLAZBFUDM-FQEVSTJZSA-N 2 0 494.644 2.541 20 0 JFADRP CC[NH+](CC)C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001295523742 1063561265 /nfs/dbraw/zinc/56/12/65/1063561265.db2.gz YOHYKLUMDCFVJI-RTWAWAEBSA-N 2 0 459.683 2.689 20 0 JFADRP CC[N@H+](CCn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)C(C)C ZINC001295825405 1063834812 /nfs/dbraw/zinc/83/48/12/1063834812.db2.gz XPNOKUWVJLPQQX-OAQYLSRUSA-N 2 0 456.635 2.843 20 0 JFADRP CC[N@H+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([NH2+]C(C)C)CC1)C1CC1 ZINC001295826884 1063835254 /nfs/dbraw/zinc/83/52/54/1063835254.db2.gz FBGUUHXACWJGMQ-UHFFFAOYSA-N 2 0 474.675 2.800 20 0 JFADRP CC[N@H+](CCn1c(CC(C)(C)C)nnc1N1CCN(C[C@@H]2C[NH+](C(C)C)CCO2)CC1)C1CC1 ZINC001295858429 1063888164 /nfs/dbraw/zinc/88/81/64/1063888164.db2.gz XTFIQSALLKFGOP-HSZRJFAPSA-N 2 0 475.726 2.582 20 0 JFADRP CC[N@H+](CCn1c(CC(C)(C)C)nnc1N1CCN(C[C@H]2C[NH+](C(C)C)CCO2)CC1)C1CC1 ZINC001295858430 1063888382 /nfs/dbraw/zinc/88/83/82/1063888382.db2.gz XTFIQSALLKFGOP-QHCPKHFHSA-N 2 0 475.726 2.582 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001295975242 1064018815 /nfs/dbraw/zinc/01/88/15/1064018815.db2.gz BHYDVERGVCEFJD-PMACEKPBSA-N 2 0 454.623 2.720 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C[C@H]1C ZINC001295976265 1064022050 /nfs/dbraw/zinc/02/20/50/1064022050.db2.gz HFBQOMJOAKEVTP-DXIQSLLYSA-N 2 0 471.625 2.875 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](CC(C)C)[NH+](C)C)C[C@H]1C ZINC001295978634 1064026126 /nfs/dbraw/zinc/02/61/26/1064026126.db2.gz MXKOKQWMUSEGHX-HSALFYBXSA-N 2 0 456.639 2.821 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)[NH+](C)C2CC2)C[C@H]1C ZINC001295979648 1064028181 /nfs/dbraw/zinc/02/81/81/1064028181.db2.gz WVJJYVQECSSSMA-QRVBRYPASA-N 2 0 474.675 2.750 20 0 JFADRP CC[C@H](C)c1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001291471086 1064032851 /nfs/dbraw/zinc/03/28/51/1064032851.db2.gz YVLQUVHDBVEFBG-VCHRRKICSA-N 2 0 473.710 2.902 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001295982508 1064035552 /nfs/dbraw/zinc/03/55/52/1064035552.db2.gz UGFFEHVDZNRGCF-MDAIXWLXSA-N 2 0 450.672 2.968 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc4ccccc4n3)n2CCOCC[NH+](C)C)C[C@H]1C ZINC001295986254 1064042919 /nfs/dbraw/zinc/04/29/19/1064042919.db2.gz UXJSGCSMIHNOFQ-UXHICEINSA-N 2 0 451.619 2.990 20 0 JFADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc4ccccc4n3)n2CCOCC[NH+](C)C)C[C@H]1C ZINC001295986259 1064043006 /nfs/dbraw/zinc/04/30/06/1064043006.db2.gz UXJSGCSMIHNOFQ-WOJBJXKFSA-N 2 0 451.619 2.990 20 0 JFADRP CC[C@H](C)c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001291502304 1064052735 /nfs/dbraw/zinc/05/27/35/1064052735.db2.gz FGMJORGZYADKFI-CVDCTZTESA-N 2 0 450.697 2.778 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCCO3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC001295998067 1064054614 /nfs/dbraw/zinc/05/46/14/1064054614.db2.gz SQJXVIAMZJREJX-GIWBLDEGSA-N 2 0 461.699 2.712 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C[C@H]1C ZINC001296009529 1064064831 /nfs/dbraw/zinc/06/48/31/1064064831.db2.gz LCLMPWKPEAMNFG-DXIQSLLYSA-N 2 0 471.625 2.761 20 0 JFADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccccc3F)n2CC[NH+]2CCSCC2)C[C@H]1C ZINC001296010355 1064068467 /nfs/dbraw/zinc/06/84/67/1064068467.db2.gz BIOUQXKKSRWIGD-RTBURBONSA-N 2 0 462.639 2.964 20 0 JFADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccccc3F)n2CC[NH+]2CCSCC2)C[C@@H]1C ZINC001296010353 1064068655 /nfs/dbraw/zinc/06/86/55/1064068655.db2.gz BIOUQXKKSRWIGD-RBUKOAKNSA-N 2 0 462.639 2.964 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@@H](C2CCCCC2)[NH+](C)C)C[C@H]1C ZINC001296011281 1064070719 /nfs/dbraw/zinc/07/07/19/1064070719.db2.gz UVDIKBFTZPTEDQ-URVUXULASA-N 2 0 459.683 2.830 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@@H]1C ZINC001296011470 1064071719 /nfs/dbraw/zinc/07/17/19/1064071719.db2.gz PNPQAZTWYBDXQL-VXKWHMMOSA-N 2 0 486.709 2.948 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001296013592 1064074427 /nfs/dbraw/zinc/07/44/27/1064074427.db2.gz OEBRMOIGSFVZGX-PCEJQYDGSA-N 2 0 492.709 2.809 20 0 JFADRP CC[NH+]1CCC(CCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001296025179 1064085295 /nfs/dbraw/zinc/08/52/95/1064085295.db2.gz NQWWKPQSSKOMDU-QFIPXVFZSA-N 2 0 473.710 2.732 20 0 JFADRP CC[N@@H+]1CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[NH+](C(C)C)CC2)C1 ZINC001296052389 1064113825 /nfs/dbraw/zinc/11/38/25/1064113825.db2.gz RGXNLTNYDXUEPC-IBGZPJMESA-N 2 0 459.664 2.532 20 0 JFADRP CC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001296067227 1064132504 /nfs/dbraw/zinc/13/25/04/1064132504.db2.gz IIVOIJNOKTXMIU-PMACEKPBSA-N 2 0 488.599 2.747 20 0 JFADRP C[NH+](C)CCOc1ccc(/C=C\C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cc1 ZINC001291640339 1064189509 /nfs/dbraw/zinc/18/95/09/1064189509.db2.gz DGZZXGAWNJQGDG-FLIBITNWSA-N 2 0 450.583 2.976 20 0 JFADRP CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC001296130962 1064224605 /nfs/dbraw/zinc/22/46/05/1064224605.db2.gz GXYQPKXXIQGINZ-NHCUHLMSSA-N 2 0 457.642 2.564 20 0 JFADRP CC[C@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001291758912 1064238878 /nfs/dbraw/zinc/23/88/78/1064238878.db2.gz CJLDGQMPDMMEFL-VQTJNVASSA-N 2 0 454.623 2.720 20 0 JFADRP CC[C@H](C)[N@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001291760020 1064241330 /nfs/dbraw/zinc/24/13/30/1064241330.db2.gz MQNWIACXSMCPBR-IBGZPJMESA-N 2 0 490.722 2.807 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC[NH+](CCc3ccccc3)C2)C[C@H]1C ZINC001296136449 1064241797 /nfs/dbraw/zinc/24/17/97/1064241797.db2.gz IHGMGRBPTHPZEN-GGAORHGYSA-N 2 0 467.662 2.511 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001296138823 1064245569 /nfs/dbraw/zinc/24/55/69/1064245569.db2.gz XQZZAQKIKGZGQF-SFTDATJTSA-N 2 0 453.635 2.565 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001296138822 1064245796 /nfs/dbraw/zinc/24/57/96/1064245796.db2.gz XQZZAQKIKGZGQF-RTWAWAEBSA-N 2 0 453.635 2.565 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[NH+](C)CCCOC)C[C@@H]1C ZINC001296143416 1064252599 /nfs/dbraw/zinc/25/25/99/1064252599.db2.gz QCDLFLRXAIJFIN-KRWDZBQOSA-N 2 0 482.471 2.545 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001296145096 1064255383 /nfs/dbraw/zinc/25/53/83/1064255383.db2.gz LIRRBWCIKIVCRP-SFTDATJTSA-N 2 0 468.650 2.968 20 0 JFADRP CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[NH+](C(C)C)C2)C[C@@H]1C ZINC001296145466 1064255660 /nfs/dbraw/zinc/25/56/60/1064255660.db2.gz YZRZQQZQLJVOEG-FBLLAGFSSA-N 2 0 462.683 2.970 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001296148721 1064260689 /nfs/dbraw/zinc/26/06/89/1064260689.db2.gz ZUIWDRGCPDWHKZ-NFBKMPQASA-N 2 0 456.635 2.841 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[NH+]2CCSCC2)C[C@@H]1C ZINC001296149018 1064261354 /nfs/dbraw/zinc/26/13/54/1064261354.db2.gz GFPSCBXAZMBVSL-SFHVURJKSA-N 2 0 460.648 2.542 20 0 JFADRP CC[C@@H](C)[N@H+](C)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001291782473 1064271079 /nfs/dbraw/zinc/27/10/79/1064271079.db2.gz PGPILCHCQHTZMV-ISKFKSNPSA-N 2 0 468.694 2.599 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2CCN2CC[NH+](C)C(C)(C)C2)C[C@@H]1C ZINC001296159313 1064273673 /nfs/dbraw/zinc/27/36/73/1064273673.db2.gz ABPSIAYUGCVGTA-FQEVSTJZSA-N 2 0 457.642 2.564 20 0 JFADRP CC[C@H](C)[N@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+]2CCCC[C@@H]2C1 ZINC001291783416 1064276444 /nfs/dbraw/zinc/27/64/44/1064276444.db2.gz LHQSFXNWECAYAK-RBUKOAKNSA-N 2 0 459.664 2.674 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001296162834 1064276798 /nfs/dbraw/zinc/27/67/98/1064276798.db2.gz PYOALTVJKCWYSO-ACRUOGEOSA-N 2 0 455.651 2.682 20 0 JFADRP CC[N@@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001296174709 1064301775 /nfs/dbraw/zinc/30/17/75/1064301775.db2.gz SEEGRBCUUTZPTC-OIBXWCBGSA-N 2 0 456.635 2.642 20 0 JFADRP CC[NH+]1CCN([C@H]2CCN(c3nnc([C@H]4CCCO4)n3CCC[NH+](C(C)C)C(C)C)C2)CC1 ZINC001296182226 1064321974 /nfs/dbraw/zinc/32/19/74/1064321974.db2.gz PLFZZSQXOPTBRE-XZOQPEGZSA-N 2 0 461.699 2.855 20 0 JFADRP CCN1CC[NH+](C[C@@H](C)Cn2c(C(C)C)nnc2N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC001296183295 1064327498 /nfs/dbraw/zinc/32/74/98/1064327498.db2.gz CUYOKXBHFSBCJP-SDHSZQHLSA-N 2 0 488.769 2.670 20 0 JFADRP CCN1CC[NH+](C[C@@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001296192499 1064346100 /nfs/dbraw/zinc/34/61/00/1064346100.db2.gz MLGZQDSFIQNMBM-YADHBBJMSA-N 2 0 461.699 2.714 20 0 JFADRP CCN1CC[NH+](C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001296193723 1064352550 /nfs/dbraw/zinc/35/25/50/1064352550.db2.gz PPKHTULIPOEQKM-FQEVSTJZSA-N 2 0 488.750 2.828 20 0 JFADRP CCN1CC[NH+](CCCCn2c(CC(C)(C)C)nnc2N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC001296204747 1064387008 /nfs/dbraw/zinc/38/70/08/1064387008.db2.gz WBYIHWXEFOTYJQ-UHFFFAOYSA-N 2 0 489.753 2.833 20 0 JFADRP CCc1ccc(-c2nnc(N3CC[N@H+](CCOC)[C@@H](C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001292520903 1065246821 /nfs/dbraw/zinc/24/68/21/1065246821.db2.gz XIVYDUACSKBNQP-QFIPXVFZSA-N 2 0 484.689 2.900 20 0 JFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1c(C)nc2c3cccnc3nn2c1C ZINC001292583128 1065298914 /nfs/dbraw/zinc/29/89/14/1065298914.db2.gz YYXBLTXHVRZXRM-HXUWFJFHSA-N 2 0 451.619 2.701 20 0 JFADRP CCc1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001292893141 1065592573 /nfs/dbraw/zinc/59/25/73/1065592573.db2.gz LHSSXWWGVIHIAJ-DHLKQENFSA-N 2 0 487.737 2.978 20 0 JFADRP CCc1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001292952521 1065632790 /nfs/dbraw/zinc/63/27/90/1065632790.db2.gz HYFJSKYCEFTISV-QFIPXVFZSA-N 2 0 462.683 2.670 20 0 JFADRP CCc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001292961269 1065642209 /nfs/dbraw/zinc/64/22/09/1065642209.db2.gz VZZLTLITCMPOPB-QHCPKHFHSA-N 2 0 456.635 2.701 20 0 JFADRP CCc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001292981890 1065666292 /nfs/dbraw/zinc/66/62/92/1065666292.db2.gz LCJYSXLWWDYHEG-HXUWFJFHSA-N 2 0 484.649 2.551 20 0 JFADRP CCc1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001293123855 1065776663 /nfs/dbraw/zinc/77/66/63/1065776663.db2.gz MMAHONCQQRBXOG-QHCPKHFHSA-N 2 0 453.679 2.745 20 0 JFADRP CC[C@@H]1CN(c2nnc(C)n2C[C@H](c2ccccc2OC)[NH+]2CCCC2)CC[N@@H+]1CCOC ZINC001293530367 1066049351 /nfs/dbraw/zinc/04/93/51/1066049351.db2.gz OUSVLYHYCNLWJA-FYYLOGMGSA-N 2 0 456.635 2.979 20 0 JFADRP CC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCC[NH+]2CC)CC[N@@H+]1CCOC ZINC001293538956 1066057003 /nfs/dbraw/zinc/05/70/03/1066057003.db2.gz HLGMUFDOJWHDFD-YADHBBJMSA-N 2 0 456.635 2.985 20 0 JFADRP CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CC[NH+](CC)C2)CC[N@@H+]1CCOC ZINC001293566138 1066078623 /nfs/dbraw/zinc/07/86/23/1066078623.db2.gz CPYFDJMSAWOMBL-NHCUHLMSSA-N 2 0 456.635 2.843 20 0 JFADRP CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CC[NH+](CC)C2)CC[N@@H+]1CCOC ZINC001293566139 1066078738 /nfs/dbraw/zinc/07/87/38/1066078738.db2.gz CPYFDJMSAWOMBL-RTWAWAEBSA-N 2 0 456.635 2.843 20 0 JFADRP CC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CC2([NH+](C)C)CCOCC2)CC[N@@H+]1CCOC ZINC001293566755 1066080171 /nfs/dbraw/zinc/08/01/71/1066080171.db2.gz WNDRZKRAABQMNT-HXUWFJFHSA-N 2 0 474.625 2.742 20 0 JFADRP CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2CC2([NH+](C)C)CCC2)CC[N@@H+]1CCOC ZINC001293569138 1066081587 /nfs/dbraw/zinc/08/15/87/1066081587.db2.gz UPSBIAIPHKKATH-FQEVSTJZSA-N 2 0 456.635 2.985 20 0 JFADRP OC[C@]12C[NH2+]C[C@H]1CN(c1c3c(cnc1Cl)C1(CC[NH+](Cc4ccccc4)CC1)OC3)C2 ZINC001164408741 718852707 /nfs/dbraw/zinc/85/27/07/718852707.db2.gz STOOAAXQBJZCMA-YADARESESA-N 2 0 455.002 2.775 20 0 JFADRP CN(C)c1nccc(N2CCOC[C@@]3(CCCN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)C3)C2)n1 ZINC001164664912 719357849 /nfs/dbraw/zinc/35/78/49/719357849.db2.gz SAWSQMFSOOVWPH-AREMUKBSSA-N 2 0 481.645 2.534 20 0 JFADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CC2 ZINC001164690759 719758194 /nfs/dbraw/zinc/75/81/94/719758194.db2.gz HWALRVSJASPWOF-UHFFFAOYSA-N 2 0 453.965 2.837 20 0 JFADRP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc1 ZINC001164718280 720204050 /nfs/dbraw/zinc/20/40/50/720204050.db2.gz ZGFBWRDJOWHTBI-JTHBVZDNSA-N 2 0 453.635 2.973 20 0 JFADRP COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC[C@@H]2C1 ZINC001164857747 720892368 /nfs/dbraw/zinc/89/23/68/720892368.db2.gz JLIMTEIJESHXRZ-YLJYHZDGSA-N 2 0 456.965 2.830 20 0 JFADRP CN1C[C@@H](COCC2CC2)[C@H]2CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC[C@@H]2C1=O ZINC001164857279 721030449 /nfs/dbraw/zinc/03/04/49/721030449.db2.gz CEHVZOULBPNNAV-ZTCOLXNVSA-N 2 0 456.631 2.902 20 0 JFADRP Cc1ccc(C[NH+]2CCC3(CCN(c4nc(S(C)(=O)=O)nc5c4CC[NH2+]CC5)CC3)CC2)cc1 ZINC001164760740 721041938 /nfs/dbraw/zinc/04/19/38/721041938.db2.gz CSWCLYKFNNIYBA-UHFFFAOYSA-N 2 0 483.682 2.759 20 0 JFADRP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)C2)C1 ZINC001164784389 721361950 /nfs/dbraw/zinc/36/19/50/721361950.db2.gz RNKYHXUVQGZDJQ-RUZDIDTESA-N 3 0 454.619 2.733 20 0 JFADRP CCc1cc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nc(N2CCOCC2)[nH+]1 ZINC001164785722 721462878 /nfs/dbraw/zinc/46/28/78/721462878.db2.gz NAFVINHHDAEVCM-QHCPKHFHSA-N 2 0 473.662 2.610 20 0 JFADRP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(OCC3CC[NH2+]CC3)nn2)CC1 ZINC001165031024 721844645 /nfs/dbraw/zinc/84/46/45/721844645.db2.gz OTMGDZSXPHYAFH-UHFFFAOYSA-N 2 0 455.603 2.973 20 0 JFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@]4(CC(=O)N(c5ccc6c(c5)OCO6)C4)C3)c2)CC1 ZINC001164998992 722220243 /nfs/dbraw/zinc/22/02/43/722220243.db2.gz NRXGXNXNDPMABM-VWLOTQADSA-N 2 0 450.539 2.917 20 0 JFADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](CC(C)C)[NH+](C)C)C[C@H]2C)CC1 ZINC001286871177 1061271234 /nfs/dbraw/zinc/27/12/34/1061271234.db2.gz MQDMVGAKDHAEKA-YMPZKCBVSA-N 2 0 475.726 2.931 20 0 JFADRP Cc1ccc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@]2(O)CC[NH+](C)C2)cc1 ZINC001289798815 1061432599 /nfs/dbraw/zinc/43/25/99/1061432599.db2.gz AEZONRARJBFRNZ-SANMLTNESA-N 2 0 470.662 2.789 20 0 JFADRP CCCC[N@H+](C)CCn1c(-c2ccccn2)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC001294221736 1061732082 /nfs/dbraw/zinc/73/20/82/1061732082.db2.gz VJGWYJWJNWWNDY-UHFFFAOYSA-N 2 0 451.623 2.518 20 0 JFADRP CCCC[N@H+](C)CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CC[NH+](C(C)C)CC1 ZINC001294224148 1061734257 /nfs/dbraw/zinc/73/42/57/1061734257.db2.gz OQYBFFVNFBZGSN-UHFFFAOYSA-N 2 0 480.661 2.937 20 0 JFADRP Cc1cccc(OCc2nnc(N3CC[NH+](CC4CCOCC4)CC3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001290073550 1061801652 /nfs/dbraw/zinc/80/16/52/1061801652.db2.gz JBGUXCGBCGOYLN-OAQYLSRUSA-N 2 0 456.635 2.664 20 0 JFADRP CC(C)(C)Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001287032187 1061986342 /nfs/dbraw/zinc/98/63/42/1061986342.db2.gz JRBPDAGPOUXOOB-UHFFFAOYSA-N 2 0 473.710 2.733 20 0 JFADRP CCC[N@H+](CC)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001294515147 1062051042 /nfs/dbraw/zinc/05/10/42/1062051042.db2.gz DOSMVRULIFNYGM-UHFFFAOYSA-N 2 0 490.722 2.891 20 0 JFADRP CCC[N@H+](CC)CCn1c(Cc2csc(C)n2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001294528566 1062064922 /nfs/dbraw/zinc/06/49/22/1062064922.db2.gz SRDMVWZXJVYLNR-UHFFFAOYSA-N 2 0 461.680 2.667 20 0 JFADRP CCC[N@H+](CC)CCn1c([C@H]2CCCO2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001294529909 1062066132 /nfs/dbraw/zinc/06/61/32/1062066132.db2.gz RGDVWOVBELZNNV-HSZRJFAPSA-N 2 0 461.699 2.856 20 0 JFADRP CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[NH+](CCOC)[C@H](C)C2)C1 ZINC001294645705 1062174104 /nfs/dbraw/zinc/17/41/04/1062174104.db2.gz FJJUFSIAGVYRLE-MOPGFXCFSA-N 2 0 462.042 2.882 20 0 JFADRP CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[NH+](CCOC)[C@H](C)C2)C1 ZINC001294645708 1062174175 /nfs/dbraw/zinc/17/41/75/1062174175.db2.gz FJJUFSIAGVYRLE-RTBURBONSA-N 2 0 462.042 2.882 20 0 JFADRP CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[NH+](CCOC)[C@@H](C)C2)C1 ZINC001294645706 1062174207 /nfs/dbraw/zinc/17/42/07/1062174207.db2.gz FJJUFSIAGVYRLE-OALUTQOASA-N 2 0 462.042 2.882 20 0 JFADRP CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccccc3C)nnc2N2CCN(C(=O)C[NH+](CC)CC)CC2)C1 ZINC001294648759 1062189133 /nfs/dbraw/zinc/18/91/33/1062189133.db2.gz TZJZOFJMFLHJNZ-HSZRJFAPSA-N 2 0 481.689 2.976 20 0 JFADRP CCC[N@@H+]1CC[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CC[NH+](CCOC)[C@@H](C)C2)C1 ZINC001294663160 1062215684 /nfs/dbraw/zinc/21/56/84/1062215684.db2.gz RZRSNOWKZTWYTB-LEWJYISDSA-N 2 0 458.626 2.897 20 0 JFADRP CCC[N@@H+]1CC[C@H](Cn2c(N3CC[NH+](CC(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001294668797 1062224082 /nfs/dbraw/zinc/22/40/82/1062224082.db2.gz DCFUFGRIHIVYRT-DHLKQENFSA-N 2 0 462.683 2.829 20 0 JFADRP CCC[N@@H+]1CC[C@@H](Cn2c(N3CCC[NH+](C(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001294669302 1062225507 /nfs/dbraw/zinc/22/55/07/1062225507.db2.gz HHVIUWBLQRTRKQ-RCZVLFRGSA-N 2 0 462.683 2.971 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc(C(=O)N3CCCC3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001294673961 1062232667 /nfs/dbraw/zinc/23/26/67/1062232667.db2.gz AARXXSKHXLZTJO-UHFFFAOYSA-N 2 0 459.683 2.947 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001294683647 1062243004 /nfs/dbraw/zinc/24/30/04/1062243004.db2.gz KITJPHHMGLSVGQ-SJBKTWHCSA-N 2 0 459.683 2.908 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001294683616 1062243049 /nfs/dbraw/zinc/24/30/49/1062243049.db2.gz JYPFZPULYXZWPZ-WOJBJXKFSA-N 2 0 459.664 2.904 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc(COc3cccc(C)c3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001294685916 1062246259 /nfs/dbraw/zinc/24/62/59/1062246259.db2.gz KTSJVUYAJIWCIV-RUZDIDTESA-N 2 0 456.635 2.543 20 0 JFADRP Cc1cc(C)n(Cc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@]2([NH+](C)C)CCSC2)n1 ZINC001290638706 1062521861 /nfs/dbraw/zinc/52/18/61/1062521861.db2.gz BCJIZJRFCMPCCN-XMMPIXPASA-N 2 0 474.723 2.888 20 0 JFADRP Cc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290736894 1062657661 /nfs/dbraw/zinc/65/76/61/1062657661.db2.gz GQTUKJXRKYMBLK-SZPZYZBQSA-N 2 0 469.678 2.733 20 0 JFADRP Cc1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1CC[NH+](C)Cc1ccccc1 ZINC001290737033 1062658889 /nfs/dbraw/zinc/65/88/89/1062658889.db2.gz CEJRXGNOKRIUEP-LADGPHEKSA-N 2 0 450.635 2.971 20 0 JFADRP CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001287213850 1062674062 /nfs/dbraw/zinc/67/40/62/1062674062.db2.gz FWSGCICQDSUMHS-VQTJNVASSA-N 2 0 459.664 2.509 20 0 JFADRP Cc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001290768755 1062684106 /nfs/dbraw/zinc/68/41/06/1062684106.db2.gz FXFGLHCOCYKJFX-HSZRJFAPSA-N 2 0 473.710 2.773 20 0 JFADRP Cc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001290768759 1062684151 /nfs/dbraw/zinc/68/41/51/1062684151.db2.gz FXFGLHCOCYKJFX-QHCPKHFHSA-N 2 0 473.710 2.773 20 0 JFADRP CC(C)C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CC2CCCCC2)CC1)[NH+](C)C ZINC001287334553 1062812269 /nfs/dbraw/zinc/81/22/69/1062812269.db2.gz XOQJQRCCNYNIDV-FCHUYYIVSA-N 2 0 459.683 2.908 20 0 JFADRP CC(C)Cc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001287374983 1062833085 /nfs/dbraw/zinc/83/30/85/1062833085.db2.gz RMMDJJQQDQUAQZ-UHFFFAOYSA-N 2 0 496.748 2.761 20 0 JFADRP CC(C)Cc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001287457219 1062895845 /nfs/dbraw/zinc/89/58/45/1062895845.db2.gz SILJDGVYSTXVTN-OAQYLSRUSA-N 2 0 454.623 2.818 20 0 JFADRP CC(C)[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001291002332 1062898881 /nfs/dbraw/zinc/89/88/81/1062898881.db2.gz ULNQRFOIQJKMKT-SFTDATJTSA-N 2 0 459.683 2.687 20 0 JFADRP CC(C)Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001287463782 1062906599 /nfs/dbraw/zinc/90/65/99/1062906599.db2.gz DQGFZKPIYPUUKJ-QHCPKHFHSA-N 2 0 473.710 2.732 20 0 JFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(N3CCN(C(=O)C[NH+]4CCCC4)CC3)nnc2C(C)(C)C)C1 ZINC001291015042 1062925394 /nfs/dbraw/zinc/92/53/94/1062925394.db2.gz LXNYCOQFCKKGKE-SZPZYZBQSA-N 2 0 473.710 2.688 20 0 JFADRP CC[N@H+](C)Cc1cccc(Cn2c(-c3ccccn3)nnc2N2CC[NH+](CCOC)[C@H](C)C2)c1 ZINC001295126354 1062941026 /nfs/dbraw/zinc/94/10/26/1062941026.db2.gz FVKCLFVDIPPHDF-OAQYLSRUSA-N 2 0 463.630 2.997 20 0 JFADRP CC(C)NC(=O)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291103257 1063079861 /nfs/dbraw/zinc/07/98/61/1063079861.db2.gz ASHAJUGLQRVSIT-NHCUHLMSSA-N 2 0 459.683 2.991 20 0 JFADRP CC(C)NC(=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001291123611 1063138422 /nfs/dbraw/zinc/13/84/22/1063138422.db2.gz NWXIVUZXDXNVDZ-YADHBBJMSA-N 2 0 459.683 2.993 20 0 JFADRP CC(C)NC(=O)c1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001291125732 1063149834 /nfs/dbraw/zinc/14/98/34/1063149834.db2.gz AFXHIHYAXVZALP-JOCHJYFZSA-N 2 0 467.662 2.513 20 0 JFADRP C[C@@H]1CCC[N@H+](CCn2c(-c3cnn(C)c3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC001291128497 1063164183 /nfs/dbraw/zinc/16/41/83/1063164183.db2.gz YDESSBPYSKZSLF-LJQANCHMSA-N 2 0 498.598 2.502 20 0 JFADRP C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCC(C)CC1 ZINC001291141531 1063215568 /nfs/dbraw/zinc/21/55/68/1063215568.db2.gz PHGSPZNFLGNKFX-OAQYLSRUSA-N 2 0 459.683 2.945 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001295359433 1063319668 /nfs/dbraw/zinc/31/96/68/1063319668.db2.gz YEYPSCOHELDDLE-OAQYLSRUSA-N 2 0 455.651 2.777 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001295363351 1063323892 /nfs/dbraw/zinc/32/38/92/1063323892.db2.gz VBVHDEHGLIUTFX-MSOLQXFVSA-N 2 0 494.482 2.925 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001295373610 1063341524 /nfs/dbraw/zinc/34/15/24/1063341524.db2.gz QJXMRFHAMPUBAF-YADHBBJMSA-N 2 0 455.651 2.927 20 0 JFADRP CC[NH+](CC)[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001295384086 1063358409 /nfs/dbraw/zinc/35/84/09/1063358409.db2.gz FIMHNBQWXHMPKI-VXKWHMMOSA-N 2 0 467.662 2.842 20 0 JFADRP CC[NH+](CC)[C@@H](C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001295387583 1063364590 /nfs/dbraw/zinc/36/45/90/1063364590.db2.gz GHUFYIIYIBLQJS-GMAHTHKFSA-N 2 0 455.651 2.543 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001295390304 1063369451 /nfs/dbraw/zinc/36/94/51/1063369451.db2.gz NICRYVIDMPGTLD-TVZXLZGTSA-N 2 0 492.709 2.739 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001295466643 1063471934 /nfs/dbraw/zinc/47/19/34/1063471934.db2.gz XTQHBGRMLSXXKV-GOSISDBHSA-N 2 0 462.664 2.609 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001295474827 1063483044 /nfs/dbraw/zinc/48/30/44/1063483044.db2.gz HVOUQKSPDZXCGI-GOTSBHOMSA-N 2 0 486.709 2.950 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001295474749 1063483079 /nfs/dbraw/zinc/48/30/79/1063483079.db2.gz GQNFWOLWFFQRCY-VWLOTQADSA-N 2 0 456.635 2.543 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001295479639 1063488360 /nfs/dbraw/zinc/48/83/60/1063488360.db2.gz HHTHWQPHDDGNSK-NRFANRHFSA-N 2 0 461.699 2.831 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001295482670 1063504277 /nfs/dbraw/zinc/50/42/77/1063504277.db2.gz XAVKJJFXCDOBFW-JOCHJYFZSA-N 2 0 497.688 2.676 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001295484273 1063509910 /nfs/dbraw/zinc/50/99/10/1063509910.db2.gz KPIIMWAGEKURNX-UHFFFAOYSA-N 2 0 470.666 2.528 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC001295490697 1063517848 /nfs/dbraw/zinc/51/78/48/1063517848.db2.gz FLIHCVUIINBJTH-QHCPKHFHSA-N 2 0 495.716 2.914 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001295491211 1063521796 /nfs/dbraw/zinc/52/17/96/1063521796.db2.gz QNNPARCWCQDHGO-XZOQPEGZSA-N 2 0 489.709 2.631 20 0 JFADRP CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCC[N@@H+]2CC)C1 ZINC001295502138 1063535952 /nfs/dbraw/zinc/53/59/52/1063535952.db2.gz ARWXZMPTBZREAE-NHCUHLMSSA-N 2 0 468.650 2.968 20 0 JFADRP C[C@@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)S[C@H](C)C1)[NH+](C)C ZINC001291274712 1063580409 /nfs/dbraw/zinc/58/04/09/1063580409.db2.gz GAYNAMYEMXPYKI-BHDDXSALSA-N 2 0 471.719 2.923 20 0 JFADRP CC(C)c1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291288376 1063647867 /nfs/dbraw/zinc/64/78/67/1063647867.db2.gz RGAFHJCBCSFCEK-SZPZYZBQSA-N 2 0 462.683 2.982 20 0 JFADRP CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2CCC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001291292030 1063673514 /nfs/dbraw/zinc/67/35/14/1063673514.db2.gz XVUNTLHFZLFDCX-OYRHEFFESA-N 2 0 472.682 2.735 20 0 JFADRP C[C@H]1C[N@H+](CCCn2c(CC(C)(C)C)nnc2N2CC[NH+](C[C@@H]3CCOC3)CC2)CCCO1 ZINC001291292683 1063677616 /nfs/dbraw/zinc/67/76/16/1063677616.db2.gz IAJFFXBBLJXDCH-VXKWHMMOSA-N 2 0 462.683 2.526 20 0 JFADRP CC[N@H+](CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1)CCC(F)(F)F ZINC001295841369 1063859816 /nfs/dbraw/zinc/85/98/16/1063859816.db2.gz CPWIDGYYHGBQKM-LJQANCHMSA-N 2 0 498.598 2.502 20 0 JFADRP CC[N@H+](CCn1c(C2CCC2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1)CCC(F)(F)F ZINC001295844521 1063864730 /nfs/dbraw/zinc/86/47/30/1063864730.db2.gz COCHVBCXZQCETK-UHFFFAOYSA-N 2 0 485.599 2.564 20 0 JFADRP CC[N@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C2CCCC2)CC1)CCC(F)(F)F ZINC001295845194 1063866003 /nfs/dbraw/zinc/86/60/03/1063866003.db2.gz KXOCXYPTWDGGTR-GOSISDBHSA-N 2 0 471.572 2.568 20 0 JFADRP CC[N@H+](CCn1c([C@H]2CCCOC2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1)C(C)C ZINC001295848036 1063871523 /nfs/dbraw/zinc/87/15/23/1063871523.db2.gz GREGDNZSCQUMSF-QHCPKHFHSA-N 2 0 475.726 2.897 20 0 JFADRP CC[N@H+](CCn1c([C@@H]2CCOC2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1)C(C)C ZINC001295854352 1063882817 /nfs/dbraw/zinc/88/28/17/1063882817.db2.gz VTLLQOOXLFPEAF-XPWALMASSA-N 2 0 461.699 2.507 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C[C@H]1C ZINC001295977434 1064023365 /nfs/dbraw/zinc/02/33/65/1064023365.db2.gz KPVVLVJNVVHYSE-LQWHRVPQSA-N 2 0 459.614 2.777 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C[C@H]1C ZINC001295977436 1064023522 /nfs/dbraw/zinc/02/35/22/1064023522.db2.gz KPVVLVJNVVHYSE-LVCYWYKZSA-N 2 0 459.614 2.777 20 0 JFADRP CC[C@H](C)c1nnc(N2C[C@H](COC)O[C@@H](C)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001291473290 1064033913 /nfs/dbraw/zinc/03/39/13/1064033913.db2.gz CBHBLVXIQWEFEW-QNWVGRARSA-N 2 0 471.650 2.639 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C[C@@H]1C ZINC001296009530 1064064908 /nfs/dbraw/zinc/06/49/08/1064064908.db2.gz LCLMPWKPEAMNFG-IPJJNNNSSA-N 2 0 471.625 2.761 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCOC(C)C)C[C@H]1C ZINC001296011355 1064071064 /nfs/dbraw/zinc/07/10/64/1064071064.db2.gz VEGDNXZMDUDKFP-RPWUZVMVSA-N 2 0 483.705 2.987 20 0 JFADRP CC[NH+]1CCC(CCn2c(Cc3csc(C)n3)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)CC1 ZINC001296028205 1064087219 /nfs/dbraw/zinc/08/72/19/1064087219.db2.gz WDVZBPZLSQMKOL-LJQANCHMSA-N 2 0 475.707 2.913 20 0 JFADRP CC[NH+]1CCC(CCn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[NH+](CC(C)C)CC2)CC1 ZINC001296031614 1064089683 /nfs/dbraw/zinc/08/96/83/1064089683.db2.gz XYBTUMBISLRUGN-GOTSBHOMSA-N 2 0 462.683 2.902 20 0 JFADRP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001291579264 1064105405 /nfs/dbraw/zinc/10/54/05/1064105405.db2.gz IOQWPZWBLNALOI-FKBYEOEOSA-N 2 0 459.683 2.655 20 0 JFADRP CC[C@H](C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001291582835 1064114926 /nfs/dbraw/zinc/11/49/26/1064114926.db2.gz MTLOLDRGGADDGC-NRFANRHFSA-N 2 0 459.683 2.801 20 0 JFADRP CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001296073932 1064140003 /nfs/dbraw/zinc/14/00/03/1064140003.db2.gz IALHYXZYKWYBSI-HSZRJFAPSA-N 2 0 467.662 2.921 20 0 JFADRP CC[C@@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001291620516 1064159284 /nfs/dbraw/zinc/15/92/84/1064159284.db2.gz JWCKOQONOFTNBH-PWHSHALESA-N 2 0 450.697 2.918 20 0 JFADRP CC[C@@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001291620511 1064159359 /nfs/dbraw/zinc/15/93/59/1064159359.db2.gz JWCKOQONOFTNBH-DNVFCKCGSA-N 2 0 450.697 2.918 20 0 JFADRP CC[C@@H](C)c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001291630164 1064175444 /nfs/dbraw/zinc/17/54/44/1064175444.db2.gz RPMGCXYKMQHORV-YADHBBJMSA-N 3 0 454.667 2.929 20 0 JFADRP CC[C@H](C)c1nnc(N2CC[N@H+](CCOC)[C@@H](C)C2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001291642594 1064192394 /nfs/dbraw/zinc/19/23/94/1064192394.db2.gz LPUHSATYTUDIJA-VXKWHMMOSA-N 2 0 484.693 2.534 20 0 JFADRP CC[NH+]1CCN([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001296134831 1064237192 /nfs/dbraw/zinc/23/71/92/1064237192.db2.gz QZMWDKHIKFKBHZ-ZRBLBEILSA-N 2 0 499.704 2.811 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC[NH+](CCc3ccccc3)C2)C[C@@H]1C ZINC001296136450 1064241903 /nfs/dbraw/zinc/24/19/03/1064241903.db2.gz IHGMGRBPTHPZEN-GMAHTHKFSA-N 2 0 467.662 2.511 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[NH+](C)CCCOC)C[C@H]1C ZINC001296143422 1064253083 /nfs/dbraw/zinc/25/30/83/1064253083.db2.gz QCDLFLRXAIJFIN-QGZVFWFLSA-N 2 0 482.471 2.545 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001296145885 1064256385 /nfs/dbraw/zinc/25/63/85/1064256385.db2.gz GSRJLACBMRWQIU-JTSKRJEESA-N 2 0 477.451 2.613 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001296147078 1064257850 /nfs/dbraw/zinc/25/78/50/1064257850.db2.gz NEKAHLBEBWCFHN-VQTJNVASSA-N 2 0 474.675 2.611 20 0 JFADRP CC[N@@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCC[C@@H]2C)C[C@H]1C ZINC001296156939 1064269103 /nfs/dbraw/zinc/26/91/03/1064269103.db2.gz DDPPLTVYGATLOE-HBMCJLEFSA-N 2 0 491.681 2.601 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CCCC[NH+]2CCOCC2)C[C@@H]1C ZINC001296162778 1064276142 /nfs/dbraw/zinc/27/61/42/1064276142.db2.gz PJUOYTLLVHQANI-NRFANRHFSA-N 2 0 456.635 2.520 20 0 JFADRP CC[NH+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001296164827 1064283156 /nfs/dbraw/zinc/28/31/56/1064283156.db2.gz DPNPSMFLIHIGIH-RBUKOAKNSA-N 2 0 459.664 2.674 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2C[C@@H](OC)C(C)C)C[C@H]1C ZINC001296165429 1064284821 /nfs/dbraw/zinc/28/48/21/1064284821.db2.gz JJGAWQFURJHSQJ-ILBGXUMGSA-N 2 0 483.705 2.844 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001296167115 1064289036 /nfs/dbraw/zinc/28/90/36/1064289036.db2.gz QRXZWNCVGZZFPG-WOJBJXKFSA-N 2 0 473.691 2.922 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001296181850 1064318373 /nfs/dbraw/zinc/31/83/73/1064318373.db2.gz FLLICMMMARYFAI-FYYLOGMGSA-N 2 0 471.669 2.955 20 0 JFADRP CC[NH+]1CCN([C@H]2CCN(c3nnc(COc4cccc(C)c4)n3CC(C)(C)C[NH+](C)C)C2)CC1 ZINC001296182184 1064321830 /nfs/dbraw/zinc/32/18/30/1064321830.db2.gz ORSALDOIYKZMHJ-QHCPKHFHSA-N 2 0 483.705 2.970 20 0 JFADRP CCC(CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[N@@H+](C(C)C)CC1)[NH+]1CCOCC1 ZINC001291963525 1064576857 /nfs/dbraw/zinc/57/68/57/1064576857.db2.gz KQJXMCFJIBHQQC-QHCPKHFHSA-N 2 0 470.666 2.793 20 0 JFADRP CCc1nnc(N2C[C@H]([NH+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001292892479 1065590168 /nfs/dbraw/zinc/59/01/68/1065590168.db2.gz DRRIKEGDLRNEJN-OFVILXPXSA-N 2 0 481.689 2.719 20 0 JFADRP CCc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001292923570 1065611993 /nfs/dbraw/zinc/61/19/93/1065611993.db2.gz DHONPUVUOZGUSR-UHFFFAOYSA-N 2 0 473.710 2.781 20 0 JFADRP CCc1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001293039400 1065707077 /nfs/dbraw/zinc/70/70/77/1065707077.db2.gz ARUIXVUBHFFGGC-NRFANRHFSA-N 2 0 498.676 2.941 20 0 JFADRP CCc1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001293087362 1065736901 /nfs/dbraw/zinc/73/69/01/1065736901.db2.gz TVNRDSITXGWNIR-UHFFFAOYSA-N 2 0 481.689 2.865 20 0 JFADRP C[NH+]1CCN(CCN(Cc2ccc(Br)cc2F)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001293382818 1065985417 /nfs/dbraw/zinc/98/54/17/1065985417.db2.gz HOONQAVHSZDYNL-FQEVSTJZSA-N 2 0 455.416 2.649 20 0 JFADRP CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC001293560319 1066074448 /nfs/dbraw/zinc/07/44/48/1066074448.db2.gz JEIJEMKZENBGDH-DNQXCXABSA-N 2 0 470.662 2.849 20 0 JFADRP CC[C@@H]1CN(c2nnc(C3CCCC3)n2CCC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001293588192 1066096535 /nfs/dbraw/zinc/09/65/35/1066096535.db2.gz USFTYVHLSULDRO-FUPPJEDESA-N 2 0 462.683 2.982 20 0 JFADRP CC[C@H]1CN(c2nnc(C3CCCC3)n2CCC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001293588197 1066096623 /nfs/dbraw/zinc/09/66/23/1066096623.db2.gz USFTYVHLSULDRO-XJUOHMSHSA-N 2 0 462.683 2.982 20 0 JFADRP CCC[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001293911654 1066397792 /nfs/dbraw/zinc/39/77/92/1066397792.db2.gz VRPCSDNIOIOBQX-HXUWFJFHSA-N 2 0 451.623 2.911 20 0 JFADRP CCC[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001293911653 1066398055 /nfs/dbraw/zinc/39/80/55/1066398055.db2.gz VRPCSDNIOIOBQX-FQEVSTJZSA-N 2 0 451.623 2.911 20 0 JFADRP CCC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CCOC ZINC001294076528 1066545847 /nfs/dbraw/zinc/54/58/47/1066545847.db2.gz KLVZHJLYZGPHBH-QFIPXVFZSA-N 2 0 472.682 2.880 20 0 JFADRP CCC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2C[C@@]2([NH+](C)C)CCSC2)CC[N@@H+]1CCOC ZINC001294077446 1066546826 /nfs/dbraw/zinc/54/68/26/1066546826.db2.gz PFIBYCQWSTWTMS-XXBNENTESA-N 2 0 461.680 2.648 20 0 JFADRP CCC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCC(C)CC2)CC[N@@H+]1CCOC ZINC001294082149 1066550775 /nfs/dbraw/zinc/55/07/75/1066550775.db2.gz PWPZSHRCDYIYBQ-XZOQPEGZSA-N 2 0 462.683 2.841 20 0 JFADRP OC[C@@]12C[NH2+]C[C@H]1CN(c1c3c(cnc1Cl)C1(CC[NH+](Cc4ccccc4)CC1)OC3)C2 ZINC001164408733 718852770 /nfs/dbraw/zinc/85/27/70/718852770.db2.gz STOOAAXQBJZCMA-CYFREDJKSA-N 2 0 455.002 2.775 20 0 JFADRP CN(C)c1nccc(N2CCOC[C@]3(CCCN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)C3)C2)n1 ZINC001164664913 719357633 /nfs/dbraw/zinc/35/76/33/719357633.db2.gz SAWSQMFSOOVWPH-SANMLTNESA-N 2 0 481.645 2.534 20 0 JFADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc1 ZINC001164718273 720204000 /nfs/dbraw/zinc/20/40/00/720204000.db2.gz ZGFBWRDJOWHTBI-FYYLOGMGSA-N 2 0 453.635 2.973 20 0 JFADRP C[NH+]1CCN(c2cccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)CC1 ZINC001164753369 720896506 /nfs/dbraw/zinc/89/65/06/720896506.db2.gz GSGUFSYXERHFTF-LBNVMWSVSA-N 2 0 476.669 2.984 20 0 JFADRP [NH3+]C1CCN(c2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)CC1 ZINC001164756590 720898059 /nfs/dbraw/zinc/89/80/59/720898059.db2.gz QRPGOPVOFRSBQG-YIXXDRMTSA-N 2 0 477.657 2.554 20 0 JFADRP CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]2OCC[C@H]2N(c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)C1 ZINC001164757363 721016887 /nfs/dbraw/zinc/01/68/87/721016887.db2.gz DMRUMLNGBFTKTM-CTUHWIOQSA-N 2 0 465.598 2.592 20 0 JFADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001164785993 721453565 /nfs/dbraw/zinc/45/35/65/721453565.db2.gz LIDSBOIHBGPLFZ-SFHVURJKSA-N 2 0 450.027 2.510 20 0 JFADRP Cc1cccc(CN2CCO[C@@H]3CN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)CC[C@@H]3C2=O)n1 ZINC001164800809 721603239 /nfs/dbraw/zinc/60/32/39/721603239.db2.gz OQXCCILHDCREMC-BJKOFHAPSA-N 2 0 465.598 2.512 20 0 JFADRP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C4CCCC4)n3CC[N@@H+](C)C(C)C)C[C@@H]2C)CC1 ZINC001286869358 1061260247 /nfs/dbraw/zinc/26/02/47/1061260247.db2.gz DVKNWLACNRBDIV-NZQKXSOJSA-N 2 0 459.683 2.655 20 0 JFADRP CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CC[NH+]3CCC(C)CC3)C[C@H]2C)CC1 ZINC001286869527 1061262589 /nfs/dbraw/zinc/26/25/89/1061262589.db2.gz FJQNKPIIWPHLMM-VWNXMTODSA-N 2 0 487.737 2.978 20 0 JFADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](CC(C)C)[NH+](C)C)C[C@@H]2C)CC1 ZINC001286871176 1061270357 /nfs/dbraw/zinc/27/03/57/1061270357.db2.gz MQDMVGAKDHAEKA-MDNUFGMLSA-N 2 0 475.726 2.931 20 0 JFADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(C)C)n3CC[NH+](C)C3CCCC3)C[C@H]2C)CC1 ZINC001286872780 1061280649 /nfs/dbraw/zinc/28/06/49/1061280649.db2.gz XWXRCYBBXLLCDB-NFBKMPQASA-N 2 0 459.683 2.655 20 0 JFADRP Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC001294117009 1061598903 /nfs/dbraw/zinc/59/89/03/1061598903.db2.gz DOTXMUGFJPTMDI-UHFFFAOYSA-N 2 0 450.580 2.678 20 0 JFADRP Cc1cccc(-c2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC001289972647 1061683152 /nfs/dbraw/zinc/68/31/52/1061683152.db2.gz PFSVUXDJYKNTMF-QFIPXVFZSA-N 2 0 455.651 2.926 20 0 JFADRP Cc1cccc(-c2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC001289972642 1061683248 /nfs/dbraw/zinc/68/32/48/1061683248.db2.gz PFSVUXDJYKNTMF-JOCHJYFZSA-N 2 0 455.651 2.926 20 0 JFADRP CCCC[N@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001294208677 1061711246 /nfs/dbraw/zinc/71/12/46/1061711246.db2.gz HWOQNKVLHSDUHW-UHFFFAOYSA-N 2 0 472.682 2.738 20 0 JFADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@H](C)[NH+](C)C)C1 ZINC001294455131 1062001713 /nfs/dbraw/zinc/00/17/13/1062001713.db2.gz DDBKMZOWXHXWPV-AZUAARDMSA-N 2 0 490.722 2.665 20 0 JFADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@H](C)[NH+](C)C)C1 ZINC001294455132 1062002059 /nfs/dbraw/zinc/00/20/59/1062002059.db2.gz DDBKMZOWXHXWPV-ICSRJNTNSA-N 2 0 490.722 2.665 20 0 JFADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccnc3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001294464824 1062014259 /nfs/dbraw/zinc/01/42/59/1062014259.db2.gz XTKFNLFIXZOREN-NRFANRHFSA-N 2 0 455.651 2.744 20 0 JFADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001294467546 1062016210 /nfs/dbraw/zinc/01/62/10/1062016210.db2.gz GUSUQKFCJMXGFB-RTWAWAEBSA-N 2 0 469.682 2.570 20 0 JFADRP CCC[N@H+](CC)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001294515622 1062052280 /nfs/dbraw/zinc/05/22/80/1062052280.db2.gz IRZLMIWEVAOHTM-QFIPXVFZSA-N 2 0 454.667 2.597 20 0 JFADRP CCC[NH+]1CCC(Cn2c(Cc3ccncc3)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC001294662302 1062214280 /nfs/dbraw/zinc/21/42/80/1062214280.db2.gz KCWABJANJPDYAX-NRFANRHFSA-N 2 0 455.651 2.543 20 0 JFADRP CCC[N@@H+]1CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[NH+](C(C)C)CC2)C1 ZINC001294668480 1062223268 /nfs/dbraw/zinc/22/32/68/1062223268.db2.gz GVEFZPVAYJZGMC-LJQANCHMSA-N 2 0 459.664 2.532 20 0 JFADRP CCC[N@@H+]1CC[C@H](Cn2c(N3CC[NH+](CC(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001294668800 1062224178 /nfs/dbraw/zinc/22/41/78/1062224178.db2.gz DCFUFGRIHIVYRT-WIOPSUGQSA-N 2 0 462.683 2.829 20 0 JFADRP CCC[N@@H+]1CC[C@@H](Cn2c(N3CC[NH+](CC(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001294668799 1062224749 /nfs/dbraw/zinc/22/47/49/1062224749.db2.gz DCFUFGRIHIVYRT-RDGATRHJSA-N 2 0 462.683 2.829 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCOC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294684613 1062244905 /nfs/dbraw/zinc/24/49/05/1062244905.db2.gz VAFUFMOGVNTTJV-QHAWAJNXSA-N 2 0 462.683 2.980 20 0 JFADRP CCCn1nc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001294770333 1062367768 /nfs/dbraw/zinc/36/77/68/1062367768.db2.gz DEVJAWKSFCPHSC-UHFFFAOYSA-N 2 0 480.661 2.936 20 0 JFADRP CC(C)[C@@H](Cn1c(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001287163263 1062568581 /nfs/dbraw/zinc/56/85/81/1062568581.db2.gz CIUOFVZOKXJFMZ-DNQXCXABSA-N 2 0 489.753 2.927 20 0 JFADRP CC(C)Cc1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001287427741 1062866982 /nfs/dbraw/zinc/86/69/82/1062866982.db2.gz SCCCBSDZDOGESF-UHFFFAOYSA-N 2 0 476.710 2.793 20 0 JFADRP C[C@H]1C[C@H](C)C[NH+](CCCn2c(N3CCN(C(=O)C[NH+]4CCCC4)CC3)nnc2C(C)(C)C)C1 ZINC001291015043 1062924934 /nfs/dbraw/zinc/92/49/34/1062924934.db2.gz LXNYCOQFCKKGKE-VXKWHMMOSA-N 2 0 473.710 2.688 20 0 JFADRP CC[N@H+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@H](C)[NH+](CC)C[C@H]2C)c1 ZINC001295126305 1062940571 /nfs/dbraw/zinc/94/05/71/1062940571.db2.gz DVLXDTGATVOPRL-LEWJYISDSA-N 2 0 467.662 2.933 20 0 JFADRP CC[N@H+](C)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C3CCC3)CC2)c1 ZINC001295126717 1062942755 /nfs/dbraw/zinc/94/27/55/1062942755.db2.gz ITZOPCXIRWHNBW-UHFFFAOYSA-N 2 0 453.635 2.591 20 0 JFADRP C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c(N3CCN(C(=O)C[NH+]4CCCC4)CC3)nnc2C(C)(C)C)C1 ZINC001291103395 1063080731 /nfs/dbraw/zinc/08/07/31/1063080731.db2.gz DALJJMJSGYXNMY-OAQYLSRUSA-N 2 0 473.710 2.831 20 0 JFADRP CC(C)C[NH+]1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001287762958 1063089461 /nfs/dbraw/zinc/08/94/61/1063089461.db2.gz XDFYWEVCPBDUMY-UHFFFAOYSA-N 2 0 466.634 2.960 20 0 JFADRP CC(C)C[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001287770458 1063097461 /nfs/dbraw/zinc/09/74/61/1063097461.db2.gz UIOARFBUDUYXSZ-IFMALSPDSA-N 2 0 453.635 2.528 20 0 JFADRP CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001287770461 1063097816 /nfs/dbraw/zinc/09/78/16/1063097816.db2.gz UIOARFBUDUYXSZ-UNMCSNQZSA-N 2 0 453.635 2.528 20 0 JFADRP CC(C)NC(=O)c1nnc(N2CCC[NH+](Cc3ccccc3)CC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001291126322 1063154562 /nfs/dbraw/zinc/15/45/62/1063154562.db2.gz KHXJUZJUOCURNY-JOCHJYFZSA-N 2 0 467.662 2.861 20 0 JFADRP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001291181882 1063276846 /nfs/dbraw/zinc/27/68/46/1063276846.db2.gz VXXFEBZNMJAXNC-OAQYLSRUSA-N 2 0 497.754 2.569 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001295359508 1063320709 /nfs/dbraw/zinc/32/07/09/1063320709.db2.gz ZQXUOXILCAJIDL-OAQYLSRUSA-N 2 0 455.651 2.859 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001295367027 1063330877 /nfs/dbraw/zinc/33/08/77/1063330877.db2.gz RVYVTCGWCWRPIH-AABGKKOBSA-N 2 0 476.691 2.998 20 0 JFADRP CC(C)O[C@@]1(c2nnc(N3CC[NH+](C4CCC4)C[C@H](C)C3)n2CC[N@H+](C)C(C)C)CCOC1 ZINC001291210208 1063386912 /nfs/dbraw/zinc/38/69/12/1063386912.db2.gz YBLKAOJDMPUSBF-OFVILXPXSA-N 2 0 462.683 2.970 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc(CN3CCCC3=O)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001295474944 1063483918 /nfs/dbraw/zinc/48/39/18/1063483918.db2.gz JPQOBGLADSIOLY-UHFFFAOYSA-N 2 0 459.683 2.833 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001295480031 1063489561 /nfs/dbraw/zinc/48/95/61/1063489561.db2.gz KKZCTQXKSPWGDI-PTLVVNQVSA-N 2 0 480.723 2.750 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001295482480 1063501673 /nfs/dbraw/zinc/50/16/73/1063501673.db2.gz PUPNOXFPHQBUTQ-UHFFFAOYSA-N 2 0 482.677 2.595 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001295482601 1063502980 /nfs/dbraw/zinc/50/29/80/1063502980.db2.gz URYPQQYGCPPPOX-AMGIVPHBSA-N 2 0 496.704 2.841 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001295482671 1063504236 /nfs/dbraw/zinc/50/42/36/1063504236.db2.gz XAVKJJFXCDOBFW-QFIPXVFZSA-N 2 0 497.688 2.676 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc(Cc3ccncc3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001295487295 1063515502 /nfs/dbraw/zinc/51/55/02/1063515502.db2.gz JJRMFSXMIXOXDQ-UHFFFAOYSA-N 2 0 468.694 2.601 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC3CC3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001295490922 1063519456 /nfs/dbraw/zinc/51/94/56/1063519456.db2.gz JJTFRPWVGHBUEA-FGZHOGPDSA-N 2 0 487.737 2.978 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC3CC3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001295491042 1063520558 /nfs/dbraw/zinc/52/05/58/1063520558.db2.gz NSMGFPVIRSEIDC-HFZDXXHNSA-N 2 0 473.710 2.732 20 0 JFADRP CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC[N@H+](CC)C2)C1 ZINC001295506328 1063543018 /nfs/dbraw/zinc/54/30/18/1063543018.db2.gz JTUNNRSPMCIBSA-NHCUHLMSSA-N 2 0 488.702 2.859 20 0 JFADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001295516329 1063551990 /nfs/dbraw/zinc/55/19/90/1063551990.db2.gz KYWSQKIZBIOIPB-FCHUYYIVSA-N 2 0 453.635 2.507 20 0 JFADRP CC[NH+](CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001295533898 1063570989 /nfs/dbraw/zinc/57/09/89/1063570989.db2.gz HMTRKSCEUAPVJF-VXKWHMMOSA-N 2 0 459.683 2.909 20 0 JFADRP CC(C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001291288730 1063651454 /nfs/dbraw/zinc/65/14/54/1063651454.db2.gz XUPXEZNKHAXNBA-QHCPKHFHSA-N 2 0 475.726 2.897 20 0 JFADRP C[C@@H]1C[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCC[N@H+](Cc3cnn(C)c3)CC2)C[C@@H](C)O1 ZINC001291292564 1063675864 /nfs/dbraw/zinc/67/58/64/1063675864.db2.gz GHLFFOPATOYWEZ-FGZHOGPDSA-N 2 0 486.709 2.812 20 0 JFADRP C[C@@H]1C[N@H+](CCCn2c(N3CC[NH+](CC4CCOCC4)CC3)nnc2C(C)(C)C)CCCO1 ZINC001291294521 1063690524 /nfs/dbraw/zinc/69/05/24/1063690524.db2.gz KXTGFCLPVWFUDX-OAQYLSRUSA-N 2 0 462.683 2.625 20 0 JFADRP CCN(Cc1cnn(C)c1)c1nnc(C(C)(C)C)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001295650929 1063693033 /nfs/dbraw/zinc/69/30/33/1063693033.db2.gz RUMWMUMNZGQZKO-UHFFFAOYSA-N 2 0 465.650 2.943 20 0 JFADRP CC[N@H+](CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)C(C)C ZINC001295821648 1063827947 /nfs/dbraw/zinc/82/79/47/1063827947.db2.gz SGPYXNXLDRSFTQ-ZRZAMGCNSA-N 2 0 467.662 2.715 20 0 JFADRP CC[N@H+](CCn1c(C2CCC2)nnc1N1CCN(C[C@@H]2C[NH+](C(C)C)CCO2)CC1)C(C)C ZINC001295844908 1063864604 /nfs/dbraw/zinc/86/46/04/1063864604.db2.gz GSXDVRDFBZYONP-HSZRJFAPSA-N 2 0 461.699 2.507 20 0 JFADRP CC[N@H+](CCn1c(C2CC2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCCN(C(C)=O)CC2)C1)CCC(F)(F)F ZINC001295846346 1063868106 /nfs/dbraw/zinc/86/81/06/1063868106.db2.gz RPGLCDKIUUWFBI-WIYYLYMNSA-N 2 0 499.626 2.809 20 0 JFADRP CC[N@H+](CCn1c([C@H]2CCOC2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1)C(C)C ZINC001295854399 1063882774 /nfs/dbraw/zinc/88/27/74/1063882774.db2.gz VTLLQOOXLFPEAF-ZRBLBEILSA-N 2 0 461.699 2.507 20 0 JFADRP CC[N@H+](CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](CC)[C@@H](C)C1)C(C)C ZINC001295856474 1063886948 /nfs/dbraw/zinc/88/69/48/1063886948.db2.gz MDRGRDIUUDPKQK-SFTDATJTSA-N 2 0 493.697 2.847 20 0 JFADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCCC(C)(C)C2)C[C@H]1C ZINC001295975795 1064020283 /nfs/dbraw/zinc/02/02/83/1064020283.db2.gz FDGZERBSORPMMC-WOJBJXKFSA-N 2 0 468.650 2.966 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC001295976630 1064022612 /nfs/dbraw/zinc/02/26/12/1064022612.db2.gz HUINMYASCDUKKX-PKTZIBPZSA-N 2 0 496.704 2.548 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2CC2CCN(c3cc[nH+]cc3)CC2)C[C@H]1C ZINC001295977443 1064024009 /nfs/dbraw/zinc/02/40/09/1064024009.db2.gz KQMCRNFHULMJFC-UXHICEINSA-N 2 0 468.650 2.647 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](CC(C)C)[NH+](C)C)C[C@@H]1C ZINC001295978636 1064026168 /nfs/dbraw/zinc/02/61/68/1064026168.db2.gz MXKOKQWMUSEGHX-SLFFLAALSA-N 2 0 456.639 2.821 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCC[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001295982014 1064032516 /nfs/dbraw/zinc/03/25/16/1064032516.db2.gz VZHURBVXKRREFH-FKBYEOEOSA-N 2 0 459.683 2.945 20 0 JFADRP CC[C@H](C)c1nnc(N2C[C@H](C)O[C@H](COC)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001291473289 1064033886 /nfs/dbraw/zinc/03/38/86/1064033886.db2.gz CBHBLVXIQWEFEW-FUDKSRODSA-N 2 0 471.650 2.639 20 0 JFADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C ZINC001295996212 1064052290 /nfs/dbraw/zinc/05/22/90/1064052290.db2.gz NAHMRJHQBGLKNL-WOJBJXKFSA-N 2 0 466.634 2.586 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccco2)[NH+](C)C)C[C@H]1C ZINC001296008789 1064062336 /nfs/dbraw/zinc/06/23/36/1064062336.db2.gz BJQUSAMNUZENOB-QHAWAJNXSA-N 2 0 454.623 2.955 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2C[C@@](C)(O)C(C)C)C[C@H]1C ZINC001296011879 1064072013 /nfs/dbraw/zinc/07/20/13/1064072013.db2.gz XGRMLDOKCAIRNO-FMGHJNRGSA-N 2 0 497.732 2.969 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001296013584 1064074559 /nfs/dbraw/zinc/07/45/59/1064074559.db2.gz OEBRMOIGSFVZGX-KOORYGTMSA-N 2 0 492.709 2.809 20 0 JFADRP CC[NH+]1CCC(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001296022395 1064083162 /nfs/dbraw/zinc/08/31/62/1064083162.db2.gz YNCPBYIYOLKCHN-HXUWFJFHSA-N 2 0 497.754 2.569 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc(CN3CCCC3=O)n2CCC2CC[NH+](CC)CC2)CC1 ZINC001296028209 1064087313 /nfs/dbraw/zinc/08/73/13/1064087313.db2.gz WIVOXQULMLMPSU-UHFFFAOYSA-N 2 0 459.683 2.833 20 0 JFADRP CC[NH+]1CCC(CCn2c(N3CCN(C[C@H]4C[N@@H+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)CC1 ZINC001296031311 1064089471 /nfs/dbraw/zinc/08/94/71/1064089471.db2.gz UIPWOFLFSMUTAW-DEOSSOPVSA-N 2 0 489.753 2.929 20 0 JFADRP CC[N@@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001296033030 1064091067 /nfs/dbraw/zinc/09/10/67/1064091067.db2.gz IIATVSPALOFXTC-LJQANCHMSA-N 2 0 454.623 2.578 20 0 JFADRP CC[C@H](C)c1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001291583289 1064116393 /nfs/dbraw/zinc/11/63/93/1064116393.db2.gz RCWRDMQZEHMPAB-FCHUYYIVSA-N 2 0 461.699 2.902 20 0 JFADRP CC[N@@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001296093677 1064165976 /nfs/dbraw/zinc/16/59/76/1064165976.db2.gz PVJQTJIDFOWSOG-NRFANRHFSA-N 2 0 459.683 2.833 20 0 JFADRP CC[C@@H](C)c1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001291629209 1064173072 /nfs/dbraw/zinc/17/30/72/1064173072.db2.gz ILDQYOUTUVZNGR-ISKFKSNPSA-N 2 0 484.689 2.883 20 0 JFADRP CC[C@@H](C)c1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001291644092 1064196835 /nfs/dbraw/zinc/19/68/35/1064196835.db2.gz UCIICLDQZHNIHV-ZLNRFVROSA-N 2 0 475.726 2.633 20 0 JFADRP CC[NH+]1CCN([C@H](C)Cn2c(N3CC[NH+](CCc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001296134337 1064235291 /nfs/dbraw/zinc/23/52/91/1064235291.db2.gz NMFCRZJRTYDLEM-HSZRJFAPSA-N 2 0 467.706 2.966 20 0 JFADRP CC[NH+]1CCN([C@@H](C)Cn2c(N3CC[NH+](CCc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001296134338 1064235303 /nfs/dbraw/zinc/23/53/03/1064235303.db2.gz NMFCRZJRTYDLEM-QHCPKHFHSA-N 2 0 467.706 2.966 20 0 JFADRP CC[N@@H+]1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H](C)[NH+]2CCc3ccccc3C2)C[C@H]1C ZINC001296142455 1064249524 /nfs/dbraw/zinc/24/95/24/1064249524.db2.gz LOFLTDQNKLUJPB-FSSWDIPSSA-N 2 0 470.662 2.979 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001296147079 1064257723 /nfs/dbraw/zinc/25/77/23/1064257723.db2.gz NEKAHLBEBWCFHN-WOJBJXKFSA-N 2 0 474.675 2.611 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001296147077 1064258000 /nfs/dbraw/zinc/25/80/00/1064258000.db2.gz NEKAHLBEBWCFHN-UXHICEINSA-N 2 0 474.675 2.611 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001296148280 1064259390 /nfs/dbraw/zinc/25/93/90/1064259390.db2.gz VNRZXYXTLIKGHR-PMACEKPBSA-N 2 0 454.623 2.578 20 0 JFADRP CC[C@@H](C)[N@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001291774024 1064261322 /nfs/dbraw/zinc/26/13/22/1064261322.db2.gz WQTZUZMBPOJHJX-LJQANCHMSA-N 2 0 480.661 2.843 20 0 JFADRP CC[C@@H](C)[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC001291774666 1064263004 /nfs/dbraw/zinc/26/30/04/1064263004.db2.gz QBXLQCUTAUTNEX-IRLDBZIGSA-N 2 0 458.655 2.696 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCOCC[NH+](C)C)C[C@@H]1C ZINC001296156368 1064268488 /nfs/dbraw/zinc/26/84/88/1064268488.db2.gz UBANYXDEMHHCPF-IBGZPJMESA-N 2 0 453.591 2.709 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2CCN2CC[NH+](C)C(C)(C)C2)C[C@H]1C ZINC001296159315 1064273511 /nfs/dbraw/zinc/27/35/11/1064273511.db2.gz ABPSIAYUGCVGTA-HXUWFJFHSA-N 2 0 457.642 2.564 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001296163247 1064277609 /nfs/dbraw/zinc/27/76/09/1064277609.db2.gz SMXZOQBFZPOBIA-UNMCSNQZSA-N 2 0 458.626 2.895 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001296174999 1064302380 /nfs/dbraw/zinc/30/23/80/1064302380.db2.gz URYXLUKGKVGWDR-FCHUYYIVSA-N 2 0 486.661 2.753 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCC[NH+]2CCC[C@H]2C(=O)N(C)C)C[C@@H]1C ZINC001296174813 1064302959 /nfs/dbraw/zinc/30/29/59/1064302959.db2.gz RWRMNIDNWXYNEU-UPVQGACJSA-N 2 0 497.688 2.639 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001296175001 1064303422 /nfs/dbraw/zinc/30/34/22/1064303422.db2.gz URYXLUKGKVGWDR-VXKWHMMOSA-N 2 0 486.661 2.753 20 0 JFADRP CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001296181852 1064318455 /nfs/dbraw/zinc/31/84/55/1064318455.db2.gz FLLICMMMARYFAI-GMAHTHKFSA-N 2 0 471.669 2.955 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001296181851 1064318524 /nfs/dbraw/zinc/31/85/24/1064318524.db2.gz FLLICMMMARYFAI-GGAORHGYSA-N 2 0 471.669 2.955 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001296182381 1064323224 /nfs/dbraw/zinc/32/32/24/1064323224.db2.gz RINFQFPNCQGUMX-IFMALSPDSA-N 2 0 459.708 2.877 20 0 JFADRP CCN1CC[NH+](C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001296190684 1064339475 /nfs/dbraw/zinc/33/94/75/1064339475.db2.gz DUQZMJXRMQZZNI-ACRUOGEOSA-N 2 0 488.750 2.826 20 0 JFADRP CCN1CC[NH+](CCCCn2c(-c3cccnc3)nnc2N2CCC([NH2+]C(C)C)CC2)CC1 ZINC001296194096 1064354126 /nfs/dbraw/zinc/35/41/26/1064354126.db2.gz BANHSKRHABUYGH-UHFFFAOYSA-N 2 0 454.667 2.725 20 0 JFADRP CCN1CC[NH+](C[C@@H](C)Cn2c(N(C)C3CC[NH+](CCn4cccn4)CC3)nnc2C(C)(C)C)CC1 ZINC001296197394 1064374117 /nfs/dbraw/zinc/37/41/17/1064374117.db2.gz XVSADGYYWCOVOS-HSZRJFAPSA-N 2 0 499.752 2.647 20 0 JFADRP CCN1CC[NH+](CCCCn2c(CC(C)(C)C)nnc2N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC001296203463 1064381411 /nfs/dbraw/zinc/38/14/11/1064381411.db2.gz NROKEPAHYZNQBO-HSZRJFAPSA-N 2 0 489.753 2.974 20 0 JFADRP CCn1nc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001296218954 1064431652 /nfs/dbraw/zinc/43/16/52/1064431652.db2.gz GEJROFIDCNLSNB-LJQANCHMSA-N 2 0 466.634 2.546 20 0 JFADRP CCC(CC)NC(=O)c1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CC[NH+]1CCCC1 ZINC001292055447 1064724291 /nfs/dbraw/zinc/72/42/91/1064724291.db2.gz LHEVQPKVBLNPQI-OYRHEFFESA-N 2 0 489.709 2.618 20 0 JFADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001292314885 1065081972 /nfs/dbraw/zinc/08/19/72/1065081972.db2.gz VOOLBQODDPCVAR-KRWDZBQOSA-N 2 0 459.953 2.556 20 0 JFADRP CCc1ccc(-c2nnc(N3CC[N@H+](CCOC)[C@H](C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001292520902 1065246875 /nfs/dbraw/zinc/24/68/75/1065246875.db2.gz XIVYDUACSKBNQP-JOCHJYFZSA-N 2 0 484.689 2.900 20 0 JFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1c(C)nc2c3cccnc3nn2c1C ZINC001292583127 1065298895 /nfs/dbraw/zinc/29/88/95/1065298895.db2.gz YYXBLTXHVRZXRM-FQEVSTJZSA-N 2 0 451.619 2.701 20 0 JFADRP CCc1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001292894368 1065596001 /nfs/dbraw/zinc/59/60/01/1065596001.db2.gz XGNUJDGLIJFDTG-GRSYGWAWSA-N 2 0 487.737 2.976 20 0 JFADRP CCc1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1CCCN1CC[NH+](CC)CC1 ZINC001293068664 1065721719 /nfs/dbraw/zinc/72/17/19/1065721719.db2.gz KVJFOBALOBZBIM-UHFFFAOYSA-N 2 0 457.642 2.720 20 0 JFADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)cc1 ZINC001293203499 1065831041 /nfs/dbraw/zinc/83/10/41/1065831041.db2.gz JOXSACLUFNZHJM-VPUSJEBWSA-N 2 0 451.611 2.824 20 0 JFADRP CC[C@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC001293560324 1066075250 /nfs/dbraw/zinc/07/52/50/1066075250.db2.gz JEIJEMKZENBGDH-ZEQRLZLVSA-N 2 0 470.662 2.849 20 0 JFADRP CC[C@H]1CN(c2nnc(-c3ccccc3)n2C[C@@]2([NH+](C)C)CCSC2)CC[N@@H+]1CCOC ZINC001293562580 1066075801 /nfs/dbraw/zinc/07/58/01/1066075801.db2.gz VFGWTTFEQOXRRS-URXFXBBRSA-N 2 0 458.676 2.929 20 0 JFADRP CC[C@H]1CN(c2nnc(-c3ccccc3C)n2CC2([NH+](C)C)CCOCC2)CC[N@@H+]1CCOC ZINC001293563440 1066076676 /nfs/dbraw/zinc/07/66/76/1066076676.db2.gz AKVNYRMEOWRBBK-QFIPXVFZSA-N 2 0 470.662 2.911 20 0 JFADRP CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@H]2CC[NH+](CC)C2)CC[N@@H+]1CCOC ZINC001293566137 1066078367 /nfs/dbraw/zinc/07/83/67/1066078367.db2.gz CPYFDJMSAWOMBL-LEWJYISDSA-N 2 0 456.635 2.843 20 0 JFADRP CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@H]2CC[NH+](CC)C2)CC[N@@H+]1CCOC ZINC001293566140 1066078426 /nfs/dbraw/zinc/07/84/26/1066078426.db2.gz CPYFDJMSAWOMBL-SFTDATJTSA-N 2 0 456.635 2.843 20 0 JFADRP CC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC[N@@H+]1CCOC ZINC001293592704 1066098578 /nfs/dbraw/zinc/09/85/78/1066098578.db2.gz CVWYRDJZDHJFHG-YMPZKCBVSA-N 2 0 474.625 2.771 20 0 JFADRP CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001293945634 1066438254 /nfs/dbraw/zinc/43/82/54/1066438254.db2.gz RDHACSSYXCKFDU-GMAHTHKFSA-N 2 0 482.677 2.715 20 0 JFADRP O=C1CN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3)CC2(CC[NH2+]CC2)N1 ZINC001164390670 718809689 /nfs/dbraw/zinc/80/96/89/718809689.db2.gz CHTPFXIYVPMXJO-UHFFFAOYSA-N 2 0 482.028 2.815 20 0 JFADRP CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3[NH2+]Cc4ccccc4[C@@H]3C2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164423056 718944331 /nfs/dbraw/zinc/94/43/31/718944331.db2.gz DAPFWTLWYYVKMW-ZHRMCQFGSA-N 2 0 463.626 2.956 20 0 JFADRP CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3[NH2+]Cc4ccccc4[C@H]3C2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164423048 718944401 /nfs/dbraw/zinc/94/44/01/718944401.db2.gz DAPFWTLWYYVKMW-JLGINSKQSA-N 2 0 463.626 2.956 20 0 JFADRP C[N@@H+]1CCO[C@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4=O)C[C@H]21 ZINC001164667818 719426920 /nfs/dbraw/zinc/42/69/20/719426920.db2.gz HIXZVKOQBKGMHB-UXHICEINSA-N 2 0 468.985 2.916 20 0 JFADRP Cc1nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)cc(N(C)C)[nH+]1 ZINC001164680667 719658086 /nfs/dbraw/zinc/65/80/86/719658086.db2.gz HDXHPSHFSOBUGQ-HXUWFJFHSA-N 2 0 450.631 2.944 20 0 JFADRP Cc1nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)cc(N(C)C)[nH+]1 ZINC001164680662 719658700 /nfs/dbraw/zinc/65/87/00/719658700.db2.gz HDXHPSHFSOBUGQ-FQEVSTJZSA-N 2 0 450.631 2.944 20 0 JFADRP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164744538 720820892 /nfs/dbraw/zinc/82/08/92/720820892.db2.gz VDLOOFVQCDWRFU-IRFCIJBXSA-N 2 0 457.026 2.568 20 0 JFADRP Clc1nc2c(c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)C[NH2+]CC2 ZINC001164750056 720869527 /nfs/dbraw/zinc/86/95/27/720869527.db2.gz INQTVEAZCNLTFB-NLFFAJNJSA-N 2 0 469.033 2.926 20 0 JFADRP Clc1nc2c(c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n1)CC[NH2+]C2 ZINC001164748541 720876962 /nfs/dbraw/zinc/87/69/62/720876962.db2.gz FVGSFQRPCMLSQT-NBGIEHNGSA-N 2 0 469.033 2.926 20 0 JFADRP C[NH+]1CCN(c2cccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)CC1 ZINC001164753373 720896396 /nfs/dbraw/zinc/89/63/96/720896396.db2.gz GSGUFSYXERHFTF-LSYYVWMOSA-N 2 0 476.669 2.984 20 0 JFADRP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ccc(N4CC[NH2+]CC4)cn2)C3)c1 ZINC001164750641 720900367 /nfs/dbraw/zinc/90/03/67/720900367.db2.gz BLSDDNJCHXMOLA-RPLLCQBOSA-N 2 0 462.642 2.641 20 0 JFADRP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ccc(N4CC[NH2+]CC4)cn2)C3)c1 ZINC001164750635 720900818 /nfs/dbraw/zinc/90/08/18/720900818.db2.gz BLSDDNJCHXMOLA-IGKIAQTJSA-N 2 0 462.642 2.641 20 0 JFADRP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ccc(OC4CC[NH2+]CC4)nn2)C3)c1 ZINC001164747861 720913975 /nfs/dbraw/zinc/91/39/75/720913975.db2.gz DPFXXTBUBWDUGY-WNCULLNHSA-N 2 0 478.641 2.758 20 0 JFADRP CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2OCC[C@@H]2N(c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)C1 ZINC001164757366 721017378 /nfs/dbraw/zinc/01/73/78/721017378.db2.gz DMRUMLNGBFTKTM-YGOYIFOWSA-N 2 0 465.598 2.592 20 0 JFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@H]4CN(C(=O)c5ccsc5)CCO[C@@H]4C3)c2)CC1 ZINC001164874856 721299206 /nfs/dbraw/zinc/29/92/06/721299206.db2.gz DHZADHIASQKTRZ-PGRDOPGGSA-N 2 0 456.612 2.984 20 0 JFADRP CCc1cc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nc(N2CCOCC2)[nH+]1 ZINC001164785717 721462805 /nfs/dbraw/zinc/46/28/05/721462805.db2.gz NAFVINHHDAEVCM-HSZRJFAPSA-N 2 0 473.662 2.610 20 0 JFADRP Cc1ccc(-c2nnc(N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)n2CC[NH+](C(C)C)C(C)C)o1 ZINC001289595808 1061239289 /nfs/dbraw/zinc/23/92/89/1061239289.db2.gz RLQHOQCNSIVAAE-OAQYLSRUSA-N 2 0 471.650 2.708 20 0 JFADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC3([NH+](C)C)CCC3)C[C@H]2C)CC1 ZINC001286868459 1061256706 /nfs/dbraw/zinc/25/67/06/1061256706.db2.gz AHWAWGBGQXQWCJ-IFMALSPDSA-N 2 0 473.710 2.730 20 0 JFADRP Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C[C@H]4CCOC4)CC3)n2CC(C)(C)C[NH+](C)C)cc1C ZINC001289742894 1061359010 /nfs/dbraw/zinc/35/90/10/1061359010.db2.gz HDOLATIWZYXRCK-JOCHJYFZSA-N 2 0 497.688 2.894 20 0 JFADRP CC(=O)N[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001286915460 1061493012 /nfs/dbraw/zinc/49/30/12/1061493012.db2.gz SAJKLQZWKFNFIF-JOCHJYFZSA-N 2 0 482.677 2.579 20 0 JFADRP CCCC[N@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001294215087 1061724178 /nfs/dbraw/zinc/72/41/78/1061724178.db2.gz PXKCQPIGGCJKBY-LJQANCHMSA-N 2 0 490.722 2.809 20 0 JFADRP Cc1cccc(OCc2nnc(N3CC[NH+](CC4CCOCC4)CC3)n2C[C@H](C)[NH+](C)C)c1 ZINC001290073548 1061801545 /nfs/dbraw/zinc/80/15/45/1061801545.db2.gz JBGUXCGBCGOYLN-NRFANRHFSA-N 2 0 456.635 2.664 20 0 JFADRP CC(C)(C)c1nnc(N2CC[NH+](CCc3cccs3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001287012215 1061944500 /nfs/dbraw/zinc/94/45/00/1061944500.db2.gz WWMMMKUXURTWTN-UHFFFAOYSA-N 2 0 460.692 2.849 20 0 JFADRP CCC[N@H+](CC)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC001294516256 1062053601 /nfs/dbraw/zinc/05/36/01/1062053601.db2.gz QGBJYZWHZPJHAV-IFMALSPDSA-N 2 0 453.635 2.672 20 0 JFADRP CCC[N@H+](CC)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC001294527088 1062064167 /nfs/dbraw/zinc/06/41/67/1062064167.db2.gz LUOFYSKWEUVNRR-OALUTQOASA-N 2 0 459.664 2.674 20 0 JFADRP CCC[NH+]1CCC(Cn2c(C(C)C)nnc2N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)CC1 ZINC001294638175 1062153032 /nfs/dbraw/zinc/15/30/32/1062153032.db2.gz OLHLMYMUUZLUAF-XMMPIXPASA-N 2 0 475.726 2.755 20 0 JFADRP CCC[N@@H+]1CC[C@@H](Cn2c(N3CC[NH+](CC(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001294668798 1062223990 /nfs/dbraw/zinc/22/39/90/1062223990.db2.gz DCFUFGRIHIVYRT-RCZVLFRGSA-N 2 0 462.683 2.829 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001294675601 1062237061 /nfs/dbraw/zinc/23/70/61/1062237061.db2.gz LBHLXVGCDPFAMK-DFBJGRDBSA-N 2 0 474.625 2.934 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001294683648 1062242928 /nfs/dbraw/zinc/24/29/28/1062242928.db2.gz KITJPHHMGLSVGQ-VWPQPMDRSA-N 2 0 459.683 2.908 20 0 JFADRP CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294744183 1062335371 /nfs/dbraw/zinc/33/53/71/1062335371.db2.gz OGDOLOLVYISABK-XJUOHMSHSA-N 2 0 489.709 2.616 20 0 JFADRP Cc1cc(C)n(Cc2nnc(N3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001290628200 1062501090 /nfs/dbraw/zinc/50/10/90/1062501090.db2.gz JYGALELNARYIMN-RUZDIDTESA-N 2 0 499.752 2.863 20 0 JFADRP CC(C)c1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001287195835 1062628005 /nfs/dbraw/zinc/62/80/05/1062628005.db2.gz CNAQKMHUBGICHZ-OYRHEFFESA-N 2 0 462.683 2.838 20 0 JFADRP CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001287213852 1062674143 /nfs/dbraw/zinc/67/41/43/1062674143.db2.gz FWSGCICQDSUMHS-WOJBJXKFSA-N 2 0 459.664 2.509 20 0 JFADRP CC(C)c1nnc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1CCCC[NH+]1CCOCC1 ZINC001287225187 1062713221 /nfs/dbraw/zinc/71/32/21/1062713221.db2.gz WSADIRSQQXBOAG-GOTSBHOMSA-N 2 0 461.699 2.509 20 0 JFADRP CN1CC[N@H+](CCCNC(=O)[C@@]2(O)CCC[NH+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC001290820284 1062714737 /nfs/dbraw/zinc/71/47/37/1062714737.db2.gz MICXTSPPSSYMSP-AHKZPQOWSA-N 2 0 450.627 2.509 20 0 JFADRP Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001290876487 1062760261 /nfs/dbraw/zinc/76/02/61/1062760261.db2.gz NJIHDIHBEAMESC-UHFFFAOYSA-N 2 0 488.599 2.713 20 0 JFADRP CC(C)C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1)[NH+](C)C ZINC001287340664 1062818276 /nfs/dbraw/zinc/81/82/76/1062818276.db2.gz HEVOKBJLYAHYCA-FGZHOGPDSA-N 2 0 458.655 2.552 20 0 JFADRP CC(C)[NH2+]C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001290998142 1062890976 /nfs/dbraw/zinc/89/09/76/1062890976.db2.gz OBJFLJJUMVUGKY-VAMGGRTRSA-N 2 0 497.754 2.612 20 0 JFADRP CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001287461670 1062898974 /nfs/dbraw/zinc/89/89/74/1062898974.db2.gz ABNHZRAZMGOHNJ-LEWJYISDSA-N 2 0 473.691 2.584 20 0 JFADRP CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001287463163 1062905011 /nfs/dbraw/zinc/90/50/11/1062905011.db2.gz WIAAIBGWFSPXBZ-UFPGJGBJSA-N 2 0 473.710 2.730 20 0 JFADRP CC(C)Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001287463780 1062906716 /nfs/dbraw/zinc/90/67/16/1062906716.db2.gz DQGFZKPIYPUUKJ-HSZRJFAPSA-N 2 0 473.710 2.732 20 0 JFADRP CC[N@H+](C)Cc1cccc(Cn2c(-c3ccccn3)nnc2N2CC[NH+](CCOC)[C@@H](C)C2)c1 ZINC001295126353 1062941476 /nfs/dbraw/zinc/94/14/76/1062941476.db2.gz FVKCLFVDIPPHDF-NRFANRHFSA-N 2 0 463.630 2.997 20 0 JFADRP CC(C)CN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001287686594 1063038367 /nfs/dbraw/zinc/03/83/67/1063038367.db2.gz AJDCPFCNXZTQIU-UHFFFAOYSA-N 2 0 483.705 2.846 20 0 JFADRP CC(C)C[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001287740665 1063066151 /nfs/dbraw/zinc/06/61/51/1063066151.db2.gz ICCZEOGEFAKMCP-UHFFFAOYSA-N 2 0 468.650 2.968 20 0 JFADRP CC(C)C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC001287742796 1063070200 /nfs/dbraw/zinc/07/02/00/1063070200.db2.gz XSFQXUKPXHISLZ-UHFFFAOYSA-N 2 0 467.662 2.838 20 0 JFADRP CC(C)C[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001287748004 1063071543 /nfs/dbraw/zinc/07/15/43/1063071543.db2.gz CYMUWXADPUXHQV-DEOSSOPVSA-N 2 0 450.672 2.685 20 0 JFADRP CC(C)C[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001287749130 1063073820 /nfs/dbraw/zinc/07/38/20/1063073820.db2.gz DVNHFYUBGDJXGF-RPWUZVMVSA-N 2 0 480.723 2.534 20 0 JFADRP CC(C)[N@H+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCC[C@H](C)C2)CC1 ZINC001291128894 1063167606 /nfs/dbraw/zinc/16/76/06/1063167606.db2.gz FKLWQFJSQSURBA-NRFANRHFSA-N 2 0 459.683 2.689 20 0 JFADRP CC(C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001291179753 1063268745 /nfs/dbraw/zinc/26/87/45/1063268745.db2.gz LXSMKZDZDRBPOE-QFIPXVFZSA-N 2 0 459.683 2.689 20 0 JFADRP CC(C)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001291180201 1063271853 /nfs/dbraw/zinc/27/18/53/1063271853.db2.gz WFTZBSOQWRSWNN-PXDATVDWSA-N 2 0 491.750 2.802 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001295367029 1063330931 /nfs/dbraw/zinc/33/09/31/1063330931.db2.gz RVYVTCGWCWRPIH-HSALFYBXSA-N 2 0 476.691 2.998 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001295388810 1063366487 /nfs/dbraw/zinc/36/64/87/1063366487.db2.gz KIMYTPNFRLEQHF-OAQYLSRUSA-N 2 0 455.651 2.543 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001295460680 1063461708 /nfs/dbraw/zinc/46/17/08/1063461708.db2.gz JMLWRNWZNADDQT-JOCHJYFZSA-N 2 0 459.683 2.945 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001295472204 1063476885 /nfs/dbraw/zinc/47/68/85/1063476885.db2.gz JBKNSMKMTIQBOR-LEWJYISDSA-N 2 0 480.723 2.611 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C)n2CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001295481301 1063492674 /nfs/dbraw/zinc/49/26/74/1063492674.db2.gz ULINSYRUUPDUBO-DHLKQENFSA-N 2 0 481.689 2.878 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001295482687 1063504433 /nfs/dbraw/zinc/50/44/33/1063504433.db2.gz XQTYUZNZQYWRSK-QFIPXVFZSA-N 2 0 481.689 2.976 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CC[N@H+](CC)C2)CC1 ZINC001295490704 1063518689 /nfs/dbraw/zinc/51/86/89/1063518689.db2.gz FQUFVJAMDMZLAH-QHCPKHFHSA-N 2 0 481.689 2.510 20 0 JFADRP CC[NH+](CC)Cc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001295502445 1063536515 /nfs/dbraw/zinc/53/65/15/1063536515.db2.gz GDZATTGRFRWDMJ-KNQAVFIVSA-N 2 0 453.635 2.650 20 0 JFADRP CC[NH+](CC)Cc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001295502447 1063537027 /nfs/dbraw/zinc/53/70/27/1063537027.db2.gz GDZATTGRFRWDMJ-UGKGYDQZSA-N 2 0 453.635 2.650 20 0 JFADRP CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001295503269 1063538044 /nfs/dbraw/zinc/53/80/44/1063538044.db2.gz KROJHAKPGDMHDV-FGZHOGPDSA-N 2 0 459.683 2.947 20 0 JFADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC[N@H+](CC)C2)C1 ZINC001295506327 1063543249 /nfs/dbraw/zinc/54/32/49/1063543249.db2.gz JTUNNRSPMCIBSA-LEWJYISDSA-N 2 0 488.702 2.859 20 0 JFADRP C[C@@H]1C[N@@H+](CCCn2c(CC(C)(C)C)nnc2N2CCC(C[NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC001291291337 1063670232 /nfs/dbraw/zinc/67/02/32/1063670232.db2.gz NHHJTODESFTRDF-SZPZYZBQSA-N 2 0 476.710 2.915 20 0 JFADRP CC[N@H+](CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1)C1CC1 ZINC001295820770 1063826767 /nfs/dbraw/zinc/82/67/67/1063826767.db2.gz HLIKMGWVUONVKE-UHFFFAOYSA-N 2 0 453.635 2.531 20 0 JFADRP CC[N@H+](CCn1c(C2CC2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCCN(C(C)=O)CC2)C1)CCC(F)(F)F ZINC001295846343 1063868145 /nfs/dbraw/zinc/86/81/45/1063868145.db2.gz RPGLCDKIUUWFBI-NQIIRXRSSA-N 2 0 499.626 2.809 20 0 JFADRP CC[N@H+](CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C)C(C)C ZINC001295866297 1063900144 /nfs/dbraw/zinc/90/01/44/1063900144.db2.gz JVAQFKMYZBSYGH-MOPGFXCFSA-N 2 0 461.680 2.919 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001295981827 1064033716 /nfs/dbraw/zinc/03/37/16/1064033716.db2.gz BHEDQHXMGAZUQD-UXHICEINSA-N 2 0 486.661 2.992 20 0 JFADRP CC[C@H](C)c1nnc(N2C[C@@H](C)O[C@H](COC)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001291473292 1064033931 /nfs/dbraw/zinc/03/39/31/1064033931.db2.gz CBHBLVXIQWEFEW-XJUOHMSHSA-N 2 0 471.650 2.639 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001295982509 1064035670 /nfs/dbraw/zinc/03/56/70/1064035670.db2.gz UGFFEHVDZNRGCF-XBJMDHIQSA-N 2 0 450.672 2.968 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccco2)[NH+](C)C)C[C@H]1C ZINC001296008785 1064061794 /nfs/dbraw/zinc/06/17/94/1064061794.db2.gz BJQUSAMNUZENOB-HKBOAZHASA-N 2 0 454.623 2.955 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001296008821 1064062380 /nfs/dbraw/zinc/06/23/80/1064062380.db2.gz BPKRMYCXAWQLEG-UFYCRDLUSA-N 2 0 473.691 2.920 20 0 JFADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCOC(C)C)C[C@@H]1C ZINC001296011349 1064070693 /nfs/dbraw/zinc/07/06/93/1064070693.db2.gz VEGDNXZMDUDKFP-BJKOFHAPSA-N 2 0 483.705 2.987 20 0 JFADRP CC[NH+]1CCC(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001296022394 1064083144 /nfs/dbraw/zinc/08/31/44/1064083144.db2.gz YNCPBYIYOLKCHN-FQEVSTJZSA-N 2 0 497.754 2.569 20 0 JFADRP CC[N@@H+]1CC[C@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[NH+](CC)[C@H](C)C2)C1 ZINC001296033722 1064092317 /nfs/dbraw/zinc/09/23/17/1064092317.db2.gz NUBVRHADRWUTGP-QUCCMNQESA-N 2 0 474.053 2.734 20 0 JFADRP CC[C@H](C)c1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291583291 1064116373 /nfs/dbraw/zinc/11/63/73/1064116373.db2.gz RCWRDMQZEHMPAB-VXKWHMMOSA-N 2 0 461.699 2.902 20 0 JFADRP CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001296059898 1064123268 /nfs/dbraw/zinc/12/32/68/1064123268.db2.gz KJUYKEDFHARSAP-FPOVZHCZSA-N 2 0 472.634 2.604 20 0 JFADRP CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](CCOC)[C@H](C)C1 ZINC001296059900 1064123332 /nfs/dbraw/zinc/12/33/32/1064123332.db2.gz KJUYKEDFHARSAP-TZIWHRDSSA-N 2 0 472.634 2.604 20 0 JFADRP CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001296086883 1064155071 /nfs/dbraw/zinc/15/50/71/1064155071.db2.gz BQCKPICJKIUWKX-RBBKRZOGSA-N 2 0 456.635 2.985 20 0 JFADRP CC[C@H](C)c1nnc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001291644090 1064196819 /nfs/dbraw/zinc/19/68/19/1064196819.db2.gz UCIICLDQZHNIHV-VABKMULXSA-N 2 0 475.726 2.633 20 0 JFADRP CC[NH+]1CCN([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001296134828 1064237146 /nfs/dbraw/zinc/23/71/46/1064237146.db2.gz QZMWDKHIKFKBHZ-DNVJHFABSA-N 2 0 499.704 2.811 20 0 JFADRP CC[C@@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001291758910 1064238870 /nfs/dbraw/zinc/23/88/70/1064238870.db2.gz CJLDGQMPDMMEFL-UXHICEINSA-N 2 0 454.623 2.720 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001296142654 1064250450 /nfs/dbraw/zinc/25/04/50/1064250450.db2.gz FDHFELQJJBRYEY-AQNXPRMDSA-N 2 0 454.623 2.576 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001296142655 1064250564 /nfs/dbraw/zinc/25/05/64/1064250564.db2.gz FDHFELQJJBRYEY-UFYCRDLUSA-N 2 0 454.623 2.576 20 0 JFADRP CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001291772877 1064256657 /nfs/dbraw/zinc/25/66/57/1064256657.db2.gz QLGUQMSPGYCRPK-FCHUYYIVSA-N 2 0 454.667 2.595 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+](C)C2CCCC2)C[C@@H]1C ZINC001296147624 1064258273 /nfs/dbraw/zinc/25/82/73/1064258273.db2.gz PTOFJKSNUFRTPO-IBGZPJMESA-N 2 0 474.675 2.753 20 0 JFADRP CC[C@H](C)[N@H+](C)CCn1c(C2CCCC2)nnc1N1CCN(C[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001291774049 1064260670 /nfs/dbraw/zinc/26/06/70/1064260670.db2.gz KTZMIQFRAPDRLS-UPVQGACJSA-N 2 0 475.726 2.897 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC[NH+](C(C)C)C(C)C)C[C@@H]1C ZINC001296154504 1064265489 /nfs/dbraw/zinc/26/54/89/1064265489.db2.gz GOGXMXLPJCIOGH-FQEVSTJZSA-N 2 0 490.722 2.887 20 0 JFADRP CC[N@@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCC[C@H]2C)C[C@@H]1C ZINC001296156941 1064269381 /nfs/dbraw/zinc/26/93/81/1064269381.db2.gz DDPPLTVYGATLOE-HKBOAZHASA-N 2 0 491.681 2.601 20 0 JFADRP CC[C@@H](C)[N@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001291782420 1064271040 /nfs/dbraw/zinc/27/10/40/1064271040.db2.gz OVQAGZXWANOFFS-GGAORHGYSA-N 2 0 455.651 2.543 20 0 JFADRP CC[NH+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001296164825 1064283215 /nfs/dbraw/zinc/28/32/15/1064283215.db2.gz DPNPSMFLIHIGIH-MOPGFXCFSA-N 2 0 459.664 2.674 20 0 JFADRP CC[NH+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001296164828 1064283401 /nfs/dbraw/zinc/28/34/01/1064283401.db2.gz DPNPSMFLIHIGIH-RTBURBONSA-N 2 0 459.664 2.674 20 0 JFADRP CCN1CC[NH+](C[C@H](C)Cn2c(N(C)C3CC[NH+](CCn4cccn4)CC3)nnc2C(C)(C)C)CC1 ZINC001296197395 1064374081 /nfs/dbraw/zinc/37/40/81/1064374081.db2.gz XVSADGYYWCOVOS-QHCPKHFHSA-N 2 0 499.752 2.647 20 0 JFADRP CCN1CC[NH+](CCCCn2c(Cc3ccccn3)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001296202978 1064380040 /nfs/dbraw/zinc/38/00/40/1064380040.db2.gz JRPSFYKFDRVPEQ-XZOQPEGZSA-N 2 0 468.694 2.601 20 0 JFADRP CC[NH+]1CCC(C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)(c2ccccc2)CC1 ZINC001296209252 1064398901 /nfs/dbraw/zinc/39/89/01/1064398901.db2.gz GAGDFCQVNJXRGT-UHFFFAOYSA-N 2 0 458.628 2.519 20 0 JFADRP CC[C@@H](c1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1CC[N@H+](C)C(C)C)c1ccccc1 ZINC001291888805 1064512988 /nfs/dbraw/zinc/51/29/88/1064512988.db2.gz RGLZEQDUZHZWFK-RPWUZVMVSA-N 2 0 481.689 2.903 20 0 JFADRP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC1CC[NH+](C2CC2)CC1 ZINC001292114386 1064827621 /nfs/dbraw/zinc/82/76/21/1064827621.db2.gz WVJIQYFFWIWWBS-UHFFFAOYSA-N 2 0 459.683 2.991 20 0 JFADRP CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CC[NH+]1CCCCC1 ZINC001292125936 1064872934 /nfs/dbraw/zinc/87/29/34/1064872934.db2.gz NBUWGGUFCGWWHO-FQEVSTJZSA-N 2 0 459.683 2.993 20 0 JFADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001292314886 1065082336 /nfs/dbraw/zinc/08/23/36/1065082336.db2.gz VOOLBQODDPCVAR-QGZVFWFLSA-N 2 0 459.953 2.556 20 0 JFADRP CCc1ccc([C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[NH+](CC(C)C)CC2)[NH+](C)C)cc1 ZINC001292458443 1065181548 /nfs/dbraw/zinc/18/15/48/1065181548.db2.gz OWZUCTHQVIQGQN-DHIUTWEWSA-N 2 0 467.662 2.873 20 0 JFADRP CCN1CCC([NH+]2CCC(C(=O)N[C@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)CC2)CC1 ZINC001292649673 1065386984 /nfs/dbraw/zinc/38/69/84/1065386984.db2.gz CRIURHGBKFBINL-HXUWFJFHSA-N 2 0 459.654 2.951 20 0 JFADRP CCc1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CCC[NH+](C)Cc1ccccc1 ZINC001292893444 1065594926 /nfs/dbraw/zinc/59/49/26/1065594926.db2.gz OBAMSMJCHNOMMM-WIOPSUGQSA-N 2 0 481.689 2.742 20 0 JFADRP CCc1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001292894338 1065595464 /nfs/dbraw/zinc/59/54/64/1065595464.db2.gz WXWWLHBFPJWCLV-IEXUWNMDSA-N 2 0 485.652 2.661 20 0 JFADRP CCc1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1C[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC001292979823 1065662061 /nfs/dbraw/zinc/66/20/61/1065662061.db2.gz XUJQQXOUDPAJEB-RUZDIDTESA-N 2 0 489.753 2.972 20 0 JFADRP CCc1nnc(N2CCC[NH+](Cc3ccc(F)cc3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001293068085 1065719413 /nfs/dbraw/zinc/71/94/13/1065719413.db2.gz BWNBNTHUKYYXKA-UHFFFAOYSA-N 2 0 457.642 2.718 20 0 JFADRP CCc1nnc(N2CCC[NH+](Cc3cnn(C)c3)CC2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001293069436 1065722437 /nfs/dbraw/zinc/72/24/37/1065722437.db2.gz VNZWNDIJHKFHJE-OAQYLSRUSA-N 2 0 450.635 2.807 20 0 JFADRP CC[C@@H]1CCCC[N@@H+]1CCn1c(C(C)C)nnc1N1CCN(C[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001293361402 1065965334 /nfs/dbraw/zinc/96/53/34/1065965334.db2.gz AGIGBFAVMXKWRB-RPWUZVMVSA-N 2 0 475.726 2.897 20 0 JFADRP CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001293364368 1065968793 /nfs/dbraw/zinc/96/87/93/1065968793.db2.gz FMVAHZUFEAQYTH-HSZRJFAPSA-N 2 0 482.677 2.595 20 0 JFADRP CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001293374510 1065979676 /nfs/dbraw/zinc/97/96/76/1065979676.db2.gz VSFLUWHHCXMQMX-BHIFYINESA-N 2 0 480.723 2.613 20 0 JFADRP CC[C@H]1CN(c2nnc(C)n2C[C@@H](c2ccccc2OC)[NH+]2CCCC2)CC[N@@H+]1CCOC ZINC001293530371 1066049776 /nfs/dbraw/zinc/04/97/76/1066049776.db2.gz OUSVLYHYCNLWJA-GMAHTHKFSA-N 2 0 456.635 2.979 20 0 JFADRP CC[C@@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[NH+](C)C(C)C)CC[N@@H+]1CCOC ZINC001293558714 1066072396 /nfs/dbraw/zinc/07/23/96/1066072396.db2.gz RNMWBRMZUYTLRG-HXUWFJFHSA-N 2 0 458.607 2.561 20 0 JFADRP CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@]2([NH+](C)C)CCSC2)CC[N@@H+]1CCOC ZINC001293562582 1066075904 /nfs/dbraw/zinc/07/59/04/1066075904.db2.gz VFGWTTFEQOXRRS-ZJSXRUAMSA-N 2 0 458.676 2.929 20 0 JFADRP CCC[C@H]1CN(c2nnc(C)n2Cc2ccccc2C[NH+]2CCC(O)CC2)CC[N@@H+]1CCOC ZINC001294061311 1066533480 /nfs/dbraw/zinc/53/34/80/1066533480.db2.gz QGHASYIJLCQNOX-DEOSSOPVSA-N 2 0 470.662 2.529 20 0 JFADRP O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC[C@H]4[NH2+]CCO[C@H]4C3)c21 ZINC001164389566 718824160 /nfs/dbraw/zinc/82/41/60/718824160.db2.gz IQVQGPFTJSZOQC-UXHICEINSA-N 2 0 468.985 2.964 20 0 JFADRP Clc1ncc2c(c1N1CCN3CC[NH2+]C[C@H]3C1)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164408494 718838348 /nfs/dbraw/zinc/83/83/48/718838348.db2.gz ZQTLDDQEXOLSKW-FQEVSTJZSA-N 2 0 454.018 2.850 20 0 JFADRP OC[C@@]12C[NH2+]C[C@@H]1CN(c1c3c(cnc1Cl)C1(CC[NH+](Cc4ccccc4)CC1)OC3)C2 ZINC001164408734 718852787 /nfs/dbraw/zinc/85/27/87/718852787.db2.gz STOOAAXQBJZCMA-DVECYGJZSA-N 2 0 455.002 2.775 20 0 JFADRP COC(=O)[C@@H]1C[NH2+]CCN1c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001164629733 719135814 /nfs/dbraw/zinc/13/58/14/719135814.db2.gz CWFPPGYRYRAPEI-FQEVSTJZSA-N 2 0 456.974 2.708 20 0 JFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@]4(CC(C(=O)NCc5ccc(F)cc5)=NO4)C3)c2)CC1 ZINC001164655339 719322408 /nfs/dbraw/zinc/32/24/08/719322408.db2.gz WCXQNLWVMOSYQB-RUZDIDTESA-N 2 0 467.545 2.735 20 0 JFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@]4(CC(C(=O)NCc5ccc(F)cc5)=NO4)C3)c2)CC1 ZINC001164655340 719322456 /nfs/dbraw/zinc/32/24/56/719322456.db2.gz WCXQNLWVMOSYQB-VWLOTQADSA-N 2 0 467.545 2.735 20 0 JFADRP C[NH+]1CCN(c2cccc(N([C@H]3CCC34CC[NH2+]CC4)S(=O)(=O)c3ccccc3)n2)CC1 ZINC001164688484 719592173 /nfs/dbraw/zinc/59/21/73/719592173.db2.gz WVJOFLRYBNRMMM-NRFANRHFSA-N 2 0 455.628 2.561 20 0 JFADRP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)nc4c3CC[NH2+]C4)CC2)c2ccccc21 ZINC001164680271 719660240 /nfs/dbraw/zinc/66/02/40/719660240.db2.gz DUXBNYNIWSDFMT-GOSISDBHSA-N 2 0 483.060 2.869 20 0 JFADRP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cccc(N4CC[NH+](C)CC4)n3)CC2)c2ccccc21 ZINC001164681884 719673548 /nfs/dbraw/zinc/67/35/48/719673548.db2.gz OAPRBKILVPGGHR-HSZRJFAPSA-N 2 0 490.696 2.927 20 0 JFADRP CCc1cc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc(N2CCOCC2)[nH+]1 ZINC001164714767 720129010 /nfs/dbraw/zinc/12/90/10/720129010.db2.gz YPJGUWOSLIUKMK-QHCPKHFHSA-N 2 0 466.630 2.778 20 0 JFADRP Cn1nnc2c1CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)[C@H]2COCC[NH+]1CCCC1 ZINC001164717763 720175118 /nfs/dbraw/zinc/17/51/18/720175118.db2.gz MHMYDBXCGXVRCN-SANMLTNESA-N 2 0 487.652 2.985 20 0 JFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCn4c(-c5cccnc5)cnc4C34CC[NH2+]CC4)c2)CC1 ZINC001164844293 720743949 /nfs/dbraw/zinc/74/39/49/720743949.db2.gz OPBCZPPSOYLIRA-UHFFFAOYSA-N 3 0 459.598 2.912 20 0 JFADRP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164744541 720821006 /nfs/dbraw/zinc/82/10/06/720821006.db2.gz VDLOOFVQCDWRFU-SFHLNBCPSA-N 2 0 457.026 2.568 20 0 JFADRP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ccc(N4CC[NH2+]CC4)cn2)C3)c1 ZINC001164750646 720900276 /nfs/dbraw/zinc/90/02/76/720900276.db2.gz BLSDDNJCHXMOLA-SHQCIBLASA-N 2 0 462.642 2.641 20 0 JFADRP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ccc(OC4CC[NH2+]CC4)nn2)C3)c1 ZINC001164747853 720913835 /nfs/dbraw/zinc/91/38/35/720913835.db2.gz DPFXXTBUBWDUGY-HOFKKMOUSA-N 2 0 478.641 2.758 20 0 JFADRP CC(C)(C)C(=O)Nc1ccnc(N2CC3(C2)CC[N@H+](CC2CC2)C3)c1C[NH+]1CC[C@H](CO)C1 ZINC001164770380 721293685 /nfs/dbraw/zinc/29/36/85/721293685.db2.gz RWDUVUVOLCTXIK-FQEVSTJZSA-N 2 0 455.647 2.803 20 0 JFADRP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)C2)C1 ZINC001164784395 721362153 /nfs/dbraw/zinc/36/21/53/721362153.db2.gz RNKYHXUVQGZDJQ-VWLOTQADSA-N 3 0 454.619 2.733 20 0 JFADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001164785992 721453178 /nfs/dbraw/zinc/45/31/78/721453178.db2.gz LIDSBOIHBGPLFZ-GOSISDBHSA-N 2 0 450.027 2.510 20 0 JFADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)CC2 ZINC001164783995 721464226 /nfs/dbraw/zinc/46/42/26/721464226.db2.gz GPUVORLBOFQDCB-QHCPKHFHSA-N 3 0 457.663 2.743 20 0 JFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4C(=O)N(Cc5cccc(F)c5)CCO[C@H]4C3)c2)CC1 ZINC001164970353 722082446 /nfs/dbraw/zinc/08/24/46/722082446.db2.gz WUXGYAAEPUKXIS-ZEQRLZLVSA-N 2 0 468.573 2.948 20 0 JFADRP CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C(C)C)n3CC[NH+](C)C3CCCC3)C[C@@H]2C)CC1 ZINC001286872783 1061281274 /nfs/dbraw/zinc/28/12/74/1061281274.db2.gz XWXRCYBBXLLCDB-REWPJTCUSA-N 2 0 459.683 2.655 20 0 JFADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C)n3C[C@H](c3ccc(C)cc3)[NH+](C)C)C[C@H]2C)CC1 ZINC001286872942 1061283043 /nfs/dbraw/zinc/28/30/43/1061283043.db2.gz ZBEQSCABLBBEDM-NIJXNBFTSA-N 2 0 467.662 2.577 20 0 JFADRP Cc1ccc(NC(=O)c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@@]2(O)CC[NH+](C)C2)cc1C ZINC001289732682 1061342809 /nfs/dbraw/zinc/34/28/09/1061342809.db2.gz JGPIULQKRISMHT-HHHXNRCGSA-N 2 0 497.688 2.770 20 0 JFADRP CCCC[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001294226273 1061738877 /nfs/dbraw/zinc/73/88/77/1061738877.db2.gz RNNJPIOOIDLVKY-XZOQPEGZSA-N 2 0 494.750 2.860 20 0 JFADRP Cc1cccc(OCc2nnc(N3CCN(C(=O)[C@@H]4CCC[NH+]4C)CC3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001290071633 1061799134 /nfs/dbraw/zinc/79/91/34/1061799134.db2.gz QQCKBQOGIZAAJP-DEOSSOPVSA-N 2 0 497.688 2.639 20 0 JFADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(O)CC[NH+](C)C2)C1 ZINC001294459985 1062007519 /nfs/dbraw/zinc/00/75/19/1062007519.db2.gz XJFQHHCVLGPBMP-WZONZLPQSA-N 2 0 491.478 2.942 20 0 JFADRP CCC[N@H+](CC)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC001294516257 1062053403 /nfs/dbraw/zinc/05/34/03/1062053403.db2.gz QGBJYZWHZPJHAV-IRLDBZIGSA-N 2 0 453.635 2.672 20 0 JFADRP CCC[N@H+](CC)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001294519357 1062054916 /nfs/dbraw/zinc/05/49/16/1062054916.db2.gz CTUZQFWTUCKMTP-NRFANRHFSA-N 2 0 469.682 2.714 20 0 JFADRP CCC[N@H+](CC)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001294519358 1062055252 /nfs/dbraw/zinc/05/52/52/1062055252.db2.gz CTUZQFWTUCKMTP-OAQYLSRUSA-N 2 0 469.682 2.714 20 0 JFADRP CCC[N@H+](CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001294519890 1062055625 /nfs/dbraw/zinc/05/56/25/1062055625.db2.gz GTJXHJDUVMSBGB-GOTSBHOMSA-N 2 0 494.750 2.860 20 0 JFADRP CCC[N@H+](CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001294519893 1062055842 /nfs/dbraw/zinc/05/58/42/1062055842.db2.gz GTJXHJDUVMSBGB-PKTZIBPZSA-N 2 0 494.750 2.860 20 0 JFADRP CCC[N@H+](CC)CCn1c(Cc2ccccn2)nnc1N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC001294523751 1062060475 /nfs/dbraw/zinc/06/04/75/1062060475.db2.gz XGDBQUDFNIRCIV-OAQYLSRUSA-N 2 0 455.651 2.685 20 0 JFADRP CCC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(CC)CC)nnc2N2CC[NH+](C3CCOCC3)C[C@H]2C)C1 ZINC001294633090 1062142316 /nfs/dbraw/zinc/14/23/16/1062142316.db2.gz LOFXLYMHYITOLW-RTWAWAEBSA-N 2 0 489.709 2.618 20 0 JFADRP CCC[N@@H+]1CC[C@H](Cn2c(N3CCC[NH+](C(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001294669304 1062225104 /nfs/dbraw/zinc/22/51/04/1062225104.db2.gz HHVIUWBLQRTRKQ-WIOPSUGQSA-N 2 0 462.683 2.971 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001294683127 1062241847 /nfs/dbraw/zinc/24/18/47/1062241847.db2.gz LWNLTFLZDWVAFP-FQEVSTJZSA-N 2 0 469.682 2.713 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001294683609 1062243087 /nfs/dbraw/zinc/24/30/87/1062243087.db2.gz JYPFZPULYXZWPZ-PMACEKPBSA-N 2 0 459.664 2.904 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001294684662 1062245235 /nfs/dbraw/zinc/24/52/35/1062245235.db2.gz WIFVQZCTNYCRBU-HXUWFJFHSA-N 2 0 480.723 2.755 20 0 JFADRP CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001294696236 1062257647 /nfs/dbraw/zinc/25/76/47/1062257647.db2.gz DEKVLGLIVHTNMW-HSZRJFAPSA-N 2 0 496.704 2.903 20 0 JFADRP Cc1nnc(N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001290751244 1062669537 /nfs/dbraw/zinc/66/95/37/1062669537.db2.gz PHCPGFVOKBDAPK-KNQAVFIVSA-N 2 0 484.649 2.543 20 0 JFADRP Cc1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCC[NH+](C)CCCNC(=O)OC(C)(C)C ZINC001290868501 1062752274 /nfs/dbraw/zinc/75/22/74/1062752274.db2.gz ZBRKGRVCOLUNQE-FQEVSTJZSA-N 2 0 493.697 2.513 20 0 JFADRP CC(C)C[C@H](Cn1c(Cc2ccccn2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001287332190 1062809757 /nfs/dbraw/zinc/80/97/57/1062809757.db2.gz JFAQZLDNJDNLIE-ZJSXRUAMSA-N 2 0 469.678 2.930 20 0 JFADRP CC(C)C[C@@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCCOCC1)[NH+](C)C ZINC001287339743 1062817773 /nfs/dbraw/zinc/81/77/73/1062817773.db2.gz YDJFDVYJOSKTQK-VWLOTQADSA-N 2 0 483.705 2.846 20 0 JFADRP CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001287461673 1062899151 /nfs/dbraw/zinc/89/91/51/1062899151.db2.gz ABNHZRAZMGOHNJ-NHCUHLMSSA-N 2 0 473.691 2.584 20 0 JFADRP CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001287463161 1062904876 /nfs/dbraw/zinc/90/48/76/1062904876.db2.gz WIAAIBGWFSPXBZ-TVZXLZGTSA-N 2 0 473.710 2.730 20 0 JFADRP CC(C)CC[NH+]1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001287629047 1063009510 /nfs/dbraw/zinc/00/95/10/1063009510.db2.gz IEJXIGUEHYYBSH-HXUWFJFHSA-N 2 0 497.754 2.567 20 0 JFADRP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCOCC3)C[C@@H]2C)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291100994 1063070437 /nfs/dbraw/zinc/07/04/37/1063070437.db2.gz LJAGLHZGPWBCSH-RTWAWAEBSA-N 2 0 489.709 2.616 20 0 JFADRP CC(C)C[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001287749080 1063073137 /nfs/dbraw/zinc/07/31/37/1063073137.db2.gz DILGYFVIDBYRJF-RUZDIDTESA-N 2 0 462.683 2.971 20 0 JFADRP CC(C)NC(=O)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291103258 1063080073 /nfs/dbraw/zinc/08/00/73/1063080073.db2.gz ASHAJUGLQRVSIT-RTWAWAEBSA-N 2 0 459.683 2.991 20 0 JFADRP CC(C)C[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001287752516 1063080601 /nfs/dbraw/zinc/08/06/01/1063080601.db2.gz YIWPATKAYIXOLR-UHFFFAOYSA-N 2 0 476.691 2.714 20 0 JFADRP CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001287753177 1063082165 /nfs/dbraw/zinc/08/21/65/1063082165.db2.gz UQUNJWIVOAZZDC-UHFFFAOYSA-N 2 0 462.042 2.884 20 0 JFADRP CC(C)NC(=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001291123609 1063138399 /nfs/dbraw/zinc/13/83/99/1063138399.db2.gz NWXIVUZXDXNVDZ-FGZHOGPDSA-N 2 0 459.683 2.993 20 0 JFADRP CC(C)NC(=O)c1nnc(N2CCC[NH+](Cc3ccccc3)CC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001291126323 1063154599 /nfs/dbraw/zinc/15/45/99/1063154599.db2.gz KHXJUZJUOCURNY-QFIPXVFZSA-N 2 0 467.662 2.861 20 0 JFADRP CC(C)[N@H+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001291180068 1063270908 /nfs/dbraw/zinc/27/09/08/1063270908.db2.gz SZKVCHFEENFBLX-XZOQPEGZSA-N 2 0 494.750 2.859 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001295367028 1063331023 /nfs/dbraw/zinc/33/10/23/1063331023.db2.gz RVYVTCGWCWRPIH-AQNXPRMDSA-N 2 0 476.691 2.998 20 0 JFADRP CC[NH+](CC)[C@@H](C)Cn1c(C2CCCC2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001295376955 1063346996 /nfs/dbraw/zinc/34/69/96/1063346996.db2.gz QWMHLXPKLLURCK-UPVQGACJSA-N 2 0 475.726 2.897 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001295474828 1063483954 /nfs/dbraw/zinc/48/39/54/1063483954.db2.gz HVOUQKSPDZXCGI-ZRZAMGCNSA-N 2 0 486.709 2.950 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C)n2CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001295481303 1063492484 /nfs/dbraw/zinc/49/24/84/1063492484.db2.gz ULINSYRUUPDUBO-RDGATRHJSA-N 2 0 481.689 2.878 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C)n2CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001295481302 1063492536 /nfs/dbraw/zinc/49/25/36/1063492536.db2.gz ULINSYRUUPDUBO-RCZVLFRGSA-N 2 0 481.689 2.878 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001295482602 1063502828 /nfs/dbraw/zinc/50/28/28/1063502828.db2.gz URYPQQYGCPPPOX-CUNXSJBXSA-N 2 0 496.704 2.841 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001295482610 1063503680 /nfs/dbraw/zinc/50/36/80/1063503680.db2.gz UYCMXRMFJBVNSK-QFIPXVFZSA-N 2 0 496.704 2.841 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001295482701 1063505093 /nfs/dbraw/zinc/50/50/93/1063505093.db2.gz XYHWMQNMZYCEIS-SFHVURJKSA-N 2 0 462.042 2.539 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2CCC[NH+]2CCCCC2)CC1 ZINC001295484419 1063511131 /nfs/dbraw/zinc/51/11/31/1063511131.db2.gz NINWOTHLXLSCLS-UHFFFAOYSA-N 2 0 459.683 2.802 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CC3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001295484945 1063513087 /nfs/dbraw/zinc/51/30/87/1063513087.db2.gz RQWIJLAOIIKGPV-QFIPXVFZSA-N 2 0 459.683 2.656 20 0 JFADRP CC[NH+](CC)Cc1cccc(Cn2c(C)nnc2N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC001295494095 1063528418 /nfs/dbraw/zinc/52/84/18/1063528418.db2.gz YRKSZLIFQQJHAG-HFZDXXHNSA-N 2 0 481.689 2.856 20 0 JFADRP CC[NH+](CC)Cc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001295502444 1063536623 /nfs/dbraw/zinc/53/66/23/1063536623.db2.gz GDZATTGRFRWDMJ-DENIHFKCSA-N 2 0 453.635 2.650 20 0 JFADRP CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001295511461 1063545707 /nfs/dbraw/zinc/54/57/07/1063545707.db2.gz JCZLWJSRAPMMAX-JOCHJYFZSA-N 2 0 450.635 2.957 20 0 JFADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001295515693 1063549566 /nfs/dbraw/zinc/54/95/66/1063549566.db2.gz FCMHQUHZINFPAF-YSIASYRMSA-N 2 0 459.664 2.762 20 0 JFADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001295515689 1063549752 /nfs/dbraw/zinc/54/97/52/1063549752.db2.gz FCMHQUHZINFPAF-IHPCNDPISA-N 2 0 459.664 2.762 20 0 JFADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001295520045 1063555915 /nfs/dbraw/zinc/55/59/15/1063555915.db2.gz SXZBXCVTVICJLY-PMACEKPBSA-N 2 0 450.697 2.778 20 0 JFADRP CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001295523844 1063561171 /nfs/dbraw/zinc/56/11/71/1063561171.db2.gz ZZUWNUMHMNTHHZ-UHFFFAOYSA-N 2 0 467.662 2.958 20 0 JFADRP C[C@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)S[C@@H](C)C1)[NH+](C)C ZINC001291274714 1063580738 /nfs/dbraw/zinc/58/07/38/1063580738.db2.gz GAYNAMYEMXPYKI-VSKRKVRLSA-N 2 0 471.719 2.923 20 0 JFADRP CC(C)c1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001291288377 1063647785 /nfs/dbraw/zinc/64/77/85/1063647785.db2.gz RGAFHJCBCSFCEK-VXKWHMMOSA-N 2 0 462.683 2.982 20 0 JFADRP CC(C)c1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291288375 1063647837 /nfs/dbraw/zinc/64/78/37/1063647837.db2.gz RGAFHJCBCSFCEK-FGZHOGPDSA-N 2 0 462.683 2.982 20 0 JFADRP C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(-c2cnn(C)c2)n1CC(C)(C)C[NH+](C)C ZINC001291288409 1063648379 /nfs/dbraw/zinc/64/83/79/1063648379.db2.gz RTPIUHOFNYLFJT-FQEVSTJZSA-N 2 0 450.635 2.977 20 0 JFADRP C[C@H]1C[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCC(C[NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC001291291338 1063670280 /nfs/dbraw/zinc/67/02/80/1063670280.db2.gz NHHJTODESFTRDF-VXKWHMMOSA-N 2 0 476.710 2.915 20 0 JFADRP C[C@@H]1C[N@H+](CCCn2c(N(C)C3CC[NH+](CCn4cccn4)CC3)nnc2C(C)(C)C)CCCO1 ZINC001291295349 1063694333 /nfs/dbraw/zinc/69/43/33/1063694333.db2.gz YBEQJSRRTKPMGW-JOCHJYFZSA-N 2 0 486.709 2.874 20 0 JFADRP CC[N@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC001295821047 1063827465 /nfs/dbraw/zinc/82/74/65/1063827465.db2.gz LOVJLSOHEAALSE-OAQYLSRUSA-N 2 0 459.683 2.993 20 0 JFADRP CC[N@H+](CCn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)C(C)C ZINC001295825404 1063834647 /nfs/dbraw/zinc/83/46/47/1063834647.db2.gz XPNOKUWVJLPQQX-NRFANRHFSA-N 2 0 456.635 2.843 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCC[NH+]2CCCCC2)C[C@H]1C ZINC001295975243 1064018701 /nfs/dbraw/zinc/01/87/01/1064018701.db2.gz BHYDVERGVCEFJD-UXHICEINSA-N 2 0 454.623 2.720 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2CCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC001295976629 1064022441 /nfs/dbraw/zinc/02/24/41/1064022441.db2.gz HUINMYASCDUKKX-GOTSBHOMSA-N 2 0 496.704 2.548 20 0 JFADRP CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C ZINC001295978348 1064025463 /nfs/dbraw/zinc/02/54/63/1064025463.db2.gz RQMIINPXRAWSBY-SVFBPWRDSA-N 2 0 474.675 2.752 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001295981033 1064031435 /nfs/dbraw/zinc/03/14/35/1064031435.db2.gz QNWXKOMCWFOFMW-TXVWBRJLSA-N 2 0 497.754 2.564 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001295990104 1064044962 /nfs/dbraw/zinc/04/49/62/1064044962.db2.gz DVFVJCFEEYLBES-UXHICEINSA-N 2 0 456.635 2.719 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2CC[NH+]2CCSCC2)C[C@H]1C ZINC001296010349 1064068023 /nfs/dbraw/zinc/06/80/23/1064068023.db2.gz BIOUQXKKSRWIGD-MOPGFXCFSA-N 2 0 462.639 2.964 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCC2CC[NH+](CC)CC2)CC1 ZINC001296030487 1064087960 /nfs/dbraw/zinc/08/79/60/1064087960.db2.gz DZRWWKWRZPLARF-UHFFFAOYSA-N 2 0 461.699 2.688 20 0 JFADRP CC[C@@H](C)c1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001291583290 1064116384 /nfs/dbraw/zinc/11/63/84/1064116384.db2.gz RCWRDMQZEHMPAB-FGZHOGPDSA-N 2 0 461.699 2.902 20 0 JFADRP CC[C@@H](C)c1nnc(N2CC[N@H+](CCOC)[C@H](C)C2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001291642590 1064192343 /nfs/dbraw/zinc/19/23/43/1064192343.db2.gz LPUHSATYTUDIJA-FGZHOGPDSA-N 2 0 484.693 2.534 20 0 JFADRP CC[C@H](C)c1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001291644091 1064196825 /nfs/dbraw/zinc/19/68/25/1064196825.db2.gz UCIICLDQZHNIHV-YTFSRNRJSA-N 2 0 475.726 2.633 20 0 JFADRP CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccn3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC001296123592 1064215662 /nfs/dbraw/zinc/21/56/62/1064215662.db2.gz CABJSKQTNGHUIF-JOCHJYFZSA-N 2 0 468.694 2.923 20 0 JFADRP CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001296132590 1064230631 /nfs/dbraw/zinc/23/06/31/1064230631.db2.gz BTEOZPHXMRLWLR-ZRBLBEILSA-N 2 0 499.704 2.811 20 0 JFADRP CC[C@@H](C)[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001291761975 1064242781 /nfs/dbraw/zinc/24/27/81/1064242781.db2.gz RHNNQKWQFOUFOF-MSOLQXFVSA-N 2 0 496.498 2.933 20 0 JFADRP CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001291764925 1064245657 /nfs/dbraw/zinc/24/56/57/1064245657.db2.gz HGXZOQHJLPWGIF-IBGZPJMESA-N 2 0 466.638 2.618 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[NH+]2CC=CCC2)C[C@@H]1C ZINC001296143255 1064251939 /nfs/dbraw/zinc/25/19/39/1064251939.db2.gz HCTKDSUBPSIDMC-IBGZPJMESA-N 2 0 472.037 2.654 20 0 JFADRP CC[C@H](C)[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC001291773498 1064258940 /nfs/dbraw/zinc/25/89/40/1064258940.db2.gz WBRQDYMFUCBBQP-SXWKCWPCSA-N 2 0 482.681 2.662 20 0 JFADRP CC[C@H](C)[N@H+](C)CCn1c(C2CCCC2)nnc1N1CCN(C[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001291774048 1064260816 /nfs/dbraw/zinc/26/08/16/1064260816.db2.gz KTZMIQFRAPDRLS-LADGPHEKSA-N 2 0 475.726 2.897 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3cccn3C)n2CCc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1C ZINC001296153690 1064263342 /nfs/dbraw/zinc/26/33/42/1064263342.db2.gz CWPRQRUPRKUBGM-NRFANRHFSA-N 2 0 465.646 2.997 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC[NH+](C(C)C)C(C)C)C[C@H]1C ZINC001296154505 1064265367 /nfs/dbraw/zinc/26/53/67/1064265367.db2.gz GOGXMXLPJCIOGH-HXUWFJFHSA-N 2 0 490.722 2.887 20 0 JFADRP CC[N@@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCC[C@H]2C)C[C@H]1C ZINC001296156944 1064269262 /nfs/dbraw/zinc/26/92/62/1064269262.db2.gz DDPPLTVYGATLOE-NJYVYQBISA-N 2 0 491.681 2.601 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC[NH+](C)C(C)C)C[C@H]1C ZINC001296159216 1064272837 /nfs/dbraw/zinc/27/28/37/1064272837.db2.gz KZCIOYDADGBBDU-OAQYLSRUSA-N 2 0 469.682 2.713 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2C[C@H](OC)C(C)C)C[C@H]1C ZINC001296165430 1064284709 /nfs/dbraw/zinc/28/47/09/1064284709.db2.gz JJGAWQFURJHSQJ-NOZRDPDXSA-N 2 0 483.705 2.844 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001296181583 1064316188 /nfs/dbraw/zinc/31/61/88/1064316188.db2.gz YCANLLUHZWZZFK-YADHBBJMSA-N 2 0 454.667 2.595 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001296181925 1064319830 /nfs/dbraw/zinc/31/98/30/1064319830.db2.gz HKOTUPGGHISRBT-QPPBQGQZSA-N 2 0 471.669 2.955 20 0 JFADRP CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001296192136 1064344132 /nfs/dbraw/zinc/34/41/32/1064344132.db2.gz MLGZQDSFIQNMBM-FCHUYYIVSA-N 2 0 461.699 2.714 20 0 JFADRP CCN1CC[NH+](CCCCn2c(-c3ccc(OC)cc3)nnc2N2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC001296195433 1064361674 /nfs/dbraw/zinc/36/16/74/1064361674.db2.gz KKULWBPORZROJU-JOCHJYFZSA-N 2 0 469.678 2.902 20 0 JFADRP CCn1nc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001296219818 1064433920 /nfs/dbraw/zinc/43/39/20/1064433920.db2.gz NXGLJUPUMCTVPZ-SFHVURJKSA-N 2 0 466.634 2.592 20 0 JFADRP CCC(CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+](C)C ZINC001291954604 1064568430 /nfs/dbraw/zinc/56/84/30/1064568430.db2.gz VQTMLFJBPAXHEI-NHCUHLMSSA-N 2 0 468.650 2.966 20 0 JFADRP CCC(CC)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC001291967940 1064583698 /nfs/dbraw/zinc/58/36/98/1064583698.db2.gz NSIOWXAWWBGTFZ-RRPUWOKSSA-N 2 0 462.683 2.838 20 0 JFADRP CC(C)[NH+]1CCN(CCC(=O)Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)CC1 ZINC001292000681 1064619198 /nfs/dbraw/zinc/61/91/98/1064619198.db2.gz NTTNCZBRAXIXCW-UHFFFAOYSA-N 2 0 450.631 2.758 20 0 JFADRP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001292019367 1064657028 /nfs/dbraw/zinc/65/70/28/1064657028.db2.gz DVKXMAWIBILEJV-UWHLTILDSA-N 2 0 477.698 2.615 20 0 JFADRP CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C2CCC(C)CC2)CC1)[NH+]1CCCC1 ZINC001292160855 1064944344 /nfs/dbraw/zinc/94/43/44/1064944344.db2.gz DNSMOHQUCNAGSW-ATKRNPRHSA-N 2 0 459.683 2.991 20 0 JFADRP Cc1nc2ccc(Br)cn2c1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001292314426 1065081560 /nfs/dbraw/zinc/08/15/60/1065081560.db2.gz PGAQVAFUSLKQID-UHFFFAOYSA-N 2 0 457.376 2.742 20 0 JFADRP CCc1ccc([C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[NH+](CC(C)C)CC2)[NH+](C)C)cc1 ZINC001292458446 1065182208 /nfs/dbraw/zinc/18/22/08/1065182208.db2.gz OWZUCTHQVIQGQN-XZOQPEGZSA-N 2 0 467.662 2.873 20 0 JFADRP CCc1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1CCC[NH+]1CCCO[C@@H](C)C1 ZINC001292867451 1065580164 /nfs/dbraw/zinc/58/01/64/1065580164.db2.gz KLJDYWYYFKEYQE-AWRGLXIESA-N 2 0 472.682 2.594 20 0 JFADRP CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001292981889 1065666402 /nfs/dbraw/zinc/66/64/02/1065666402.db2.gz LCJYSXLWWDYHEG-FQEVSTJZSA-N 2 0 484.649 2.551 20 0 JFADRP CCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001293116080 1065762489 /nfs/dbraw/zinc/76/24/89/1065762489.db2.gz JCYYEGZWFXTBKC-CVDCTZTESA-N 2 0 456.635 2.842 20 0 JFADRP CC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCC[NH+]2CC)CC[N@@H+]1CCOC ZINC001293538953 1066056918 /nfs/dbraw/zinc/05/69/18/1066056918.db2.gz HLGMUFDOJWHDFD-FCHUYYIVSA-N 2 0 456.635 2.985 20 0 JFADRP CC[C@H]1CN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2([NH+](C)C)CCSC2)CC[N@@H+]1CCOC ZINC001293556940 1066071160 /nfs/dbraw/zinc/07/11/60/1066071160.db2.gz KQWOOQZSVFGFPJ-OFVILXPXSA-N 2 0 488.702 2.938 20 0 JFADRP CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2CCN2CC[NH+](C)C(C)(C)C2)CC[N@@H+]1CCOC ZINC001293566146 1066078973 /nfs/dbraw/zinc/07/89/73/1066078973.db2.gz CRDJPZAWNINIGN-QFIPXVFZSA-N 2 0 499.704 2.527 20 0 JFADRP CC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC[NH+]2CCC(C)CC2)CC[N@@H+]1CCOC ZINC001293592614 1066098202 /nfs/dbraw/zinc/09/82/02/1066098202.db2.gz BVDBJTSNKUKMJC-XZOQPEGZSA-N 2 0 462.683 2.841 20 0 JFADRP C[N@@H+]1CCO[C@@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4=O)C[C@@H]21 ZINC001164667819 719426128 /nfs/dbraw/zinc/42/61/28/719426128.db2.gz HIXZVKOQBKGMHB-VQTJNVASSA-N 2 0 468.985 2.916 20 0 JFADRP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(OC4CC[NH2+]CC4)nn3)CC2)c2ccccc21 ZINC001164680110 719678399 /nfs/dbraw/zinc/67/83/99/719678399.db2.gz CLTZURZIVUEGFI-OAQYLSRUSA-N 2 0 492.668 2.701 20 0 JFADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(OCC3CC[NH2+]CC3)nn1)CC2 ZINC001164710797 720151957 /nfs/dbraw/zinc/15/19/57/720151957.db2.gz CSTQCYYNFYZIIT-QHCPKHFHSA-N 2 0 466.630 2.758 20 0 JFADRP Clc1nc2c(c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n1)C[NH2+]CC2 ZINC001164750048 720869585 /nfs/dbraw/zinc/86/95/85/720869585.db2.gz INQTVEAZCNLTFB-CPJSRVTESA-N 2 0 469.033 2.926 20 0 JFADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164783606 721462559 /nfs/dbraw/zinc/46/25/59/721462559.db2.gz DPZHRSXCCGWFLK-QHCPKHFHSA-N 2 0 457.663 2.567 20 0 JFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@]4(c5ccccc5)CCN(S(C)(=O)=O)[C@H]4C3)c2)CC1 ZINC001164992012 722187313 /nfs/dbraw/zinc/18/73/13/722187313.db2.gz RHWDRYYGUZJIRX-UKILVPOCSA-N 2 0 470.639 2.737 20 0 JFADRP C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3ccccc3N3CC[NH+](C)CC3)cc2)CC1 ZINC001265161829 1059785075 /nfs/dbraw/zinc/78/50/75/1059785075.db2.gz CIYJGXPMSJNDSH-UHFFFAOYSA-N 2 0 450.587 2.906 20 0 JFADRP CC(=O)N1CCC[NH+]([C@H]2CN(c3nnc(C4CCCC4)n3CC[N@@H+](C)C(C)C)C[C@@H]2C)CC1 ZINC001286869368 1061260127 /nfs/dbraw/zinc/26/01/27/1061260127.db2.gz DVKNWLACNRBDIV-REWPJTCUSA-N 2 0 459.683 2.655 20 0 JFADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CC(C)C)n3CC[NH+]3CCCC(C)(C)C3)C[C@H]2C)CC1 ZINC001286871404 1061271048 /nfs/dbraw/zinc/27/10/48/1061271048.db2.gz NUZQKMZQVBQWRH-ISKFKSNPSA-N 2 0 487.737 2.978 20 0 JFADRP Cc1ccccc1C[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001290197005 1061938340 /nfs/dbraw/zinc/93/83/40/1061938340.db2.gz PIZSJSKKKBAKSD-UHFFFAOYSA-N 2 0 476.629 2.896 20 0 JFADRP CC(C)(C)Cc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001287034959 1062000154 /nfs/dbraw/zinc/00/01/54/1062000154.db2.gz CGKBBEYCRXWIQS-HSZRJFAPSA-N 2 0 476.710 2.652 20 0 JFADRP CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3ccccn3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001287041092 1062008385 /nfs/dbraw/zinc/00/83/85/1062008385.db2.gz DRIXBYLWTKBSEP-UHFFFAOYSA-N 2 0 469.678 2.935 20 0 JFADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001294475568 1062027901 /nfs/dbraw/zinc/02/79/01/1062027901.db2.gz WCXQQRDJAQMPOM-OAQYLSRUSA-N 2 0 455.651 2.543 20 0 JFADRP CCC[N@H+](CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001294519888 1062056061 /nfs/dbraw/zinc/05/60/61/1062056061.db2.gz GTJXHJDUVMSBGB-DHIUTWEWSA-N 2 0 494.750 2.860 20 0 JFADRP CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C)o3)nnc2N2CCN(C(=O)C[NH+](CC)CC)CC2)C1 ZINC001294646355 1062175413 /nfs/dbraw/zinc/17/54/13/1062175413.db2.gz KFEWTSLHGFCSGE-NRFANRHFSA-N 2 0 471.650 2.569 20 0 JFADRP Cc1nc(Cc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC2(O)CC[NH+](C(C)C)CC2)cs1 ZINC001290428210 1062180821 /nfs/dbraw/zinc/18/08/21/1062180821.db2.gz HKEIADFPTSQQAP-UHFFFAOYSA-N 2 0 475.707 2.790 20 0 JFADRP Cc1nc(Cc2nnc(N3CC[NH+](CC(C)C)CC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cs1 ZINC001290432335 1062194123 /nfs/dbraw/zinc/19/41/23/1062194123.db2.gz MPTLXRXFKGSTFK-FQEVSTJZSA-N 2 0 475.707 2.913 20 0 JFADRP CCC[N@@H+]1CC[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CC[NH+](CCOC)[C@H](C)C2)C1 ZINC001294663161 1062215807 /nfs/dbraw/zinc/21/58/07/1062215807.db2.gz RZRSNOWKZTWYTB-NHCUHLMSSA-N 2 0 458.626 2.897 20 0 JFADRP CCC[N@@H+]1CC[C@@H](Cn2c(N3CCN(C[C@@H]4C[NH+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)C1 ZINC001294668769 1062223339 /nfs/dbraw/zinc/22/33/39/1062223339.db2.gz CMQBTBBZTQYQCK-DHIUTWEWSA-N 2 0 475.726 2.539 20 0 JFADRP CCC[N@@H+]1CC[C@H](Cn2c(N3CCN(C[C@H]4C[NH+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)C1 ZINC001294668770 1062224260 /nfs/dbraw/zinc/22/42/60/1062224260.db2.gz CMQBTBBZTQYQCK-GOTSBHOMSA-N 2 0 475.726 2.539 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCOC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294684610 1062244720 /nfs/dbraw/zinc/24/47/20/1062244720.db2.gz VAFUFMOGVNTTJV-HBMCJLEFSA-N 2 0 462.683 2.980 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc(COc3cccc(C)c3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001294685917 1062246848 /nfs/dbraw/zinc/24/68/48/1062246848.db2.gz KTSJVUYAJIWCIV-VWLOTQADSA-N 2 0 456.635 2.543 20 0 JFADRP CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CC[NH+](CCOC)[C@H](C)C1 ZINC001294708358 1062274648 /nfs/dbraw/zinc/27/46/48/1062274648.db2.gz IMQYIGRNEOAHKN-GGAORHGYSA-N 2 0 455.651 2.685 20 0 JFADRP CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C[NH+](C)C(C)C)CC1 ZINC001294743930 1062334149 /nfs/dbraw/zinc/33/41/49/1062334149.db2.gz HQOHJXCKQQVDIC-QFIPXVFZSA-N 2 0 459.683 2.945 20 0 JFADRP CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001294757750 1062348056 /nfs/dbraw/zinc/34/80/56/1062348056.db2.gz NSUNHABAMBKOJH-XJUOHMSHSA-N 2 0 455.651 2.684 20 0 JFADRP Cc1cc(C)n(Cc2nnc(N(C)CC(C)C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC001290594413 1062415936 /nfs/dbraw/zinc/41/59/36/1062415936.db2.gz SWXRJAIHNYQUCM-UHFFFAOYSA-N 2 0 465.650 2.839 20 0 JFADRP Cc1cc(C)n(Cc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@@]2([NH+](C)C)CCSC2)n1 ZINC001290638705 1062521900 /nfs/dbraw/zinc/52/19/00/1062521900.db2.gz BCJIZJRFCMPCCN-DEOSSOPVSA-N 2 0 474.723 2.888 20 0 JFADRP Cc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001290769745 1062685267 /nfs/dbraw/zinc/68/52/67/1062685267.db2.gz KZRLJAKFWCNSJO-NRFANRHFSA-N 2 0 473.710 2.916 20 0 JFADRP Cc1nnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1CC[NH+]1CCCC(C)(C)C1 ZINC001290876886 1062761335 /nfs/dbraw/zinc/76/13/35/1062761335.db2.gz QFKPQQHEMYPWCZ-UHFFFAOYSA-N 2 0 453.679 2.963 20 0 JFADRP CC(C)C[C@@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[NH+](C(C)C)CC1)[NH+](C)C ZINC001287332794 1062810093 /nfs/dbraw/zinc/81/00/93/1062810093.db2.gz RVSRJBCJOAZABR-FQEVSTJZSA-N 2 0 490.722 2.745 20 0 JFADRP CC(C)C[C@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@@H](O)C1)[NH+](C)C ZINC001287338741 1062816038 /nfs/dbraw/zinc/81/60/38/1062816038.db2.gz NBZBPRVQGZPEFO-ARMFNRFLSA-N 2 0 497.732 2.826 20 0 JFADRP CC(C)C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)[NH+](C)C ZINC001287340022 1062817439 /nfs/dbraw/zinc/81/74/39/1062817439.db2.gz AOSXNUNWPLIFMC-RJGXRXQPSA-N 2 0 461.699 2.711 20 0 JFADRP CC(C)Cc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001287417584 1062855004 /nfs/dbraw/zinc/85/50/04/1062855004.db2.gz BBAFVHWVYWYYTM-SMIHKQSGSA-N 2 0 475.726 2.581 20 0 JFADRP CC(C)Cc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001287417587 1062855098 /nfs/dbraw/zinc/85/50/98/1062855098.db2.gz BBAFVHWVYWYYTM-TZRRMPRUSA-N 2 0 475.726 2.581 20 0 JFADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001290982661 1062869350 /nfs/dbraw/zinc/86/93/50/1062869350.db2.gz YPSHDHXPLIOQSX-AREMUKBSSA-N 2 0 452.599 2.724 20 0 JFADRP CC(C)[NH2+]C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001290998144 1062890705 /nfs/dbraw/zinc/89/07/05/1062890705.db2.gz OBJFLJJUMVUGKY-ZCNNSNEGSA-N 2 0 497.754 2.612 20 0 JFADRP CC(C)[NH2+]C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001290998136 1062891049 /nfs/dbraw/zinc/89/10/49/1062891049.db2.gz OBJFLJJUMVUGKY-AQNXPRMDSA-N 2 0 497.754 2.612 20 0 JFADRP CC[N@H+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@@H](C)[NH+](CC)C[C@@H]2C)c1 ZINC001295126309 1062941189 /nfs/dbraw/zinc/94/11/89/1062941189.db2.gz DVLXDTGATVOPRL-RTWAWAEBSA-N 2 0 467.662 2.933 20 0 JFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001291096706 1063058341 /nfs/dbraw/zinc/05/83/41/1063058341.db2.gz JFJLBBGFRZBZJI-NJYVYQBISA-N 2 0 459.683 2.908 20 0 JFADRP CC(C)C[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001287749083 1063073032 /nfs/dbraw/zinc/07/30/32/1063073032.db2.gz DILGYFVIDBYRJF-VWLOTQADSA-N 2 0 462.683 2.971 20 0 JFADRP CC(C)C[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001287750879 1063075920 /nfs/dbraw/zinc/07/59/20/1063075920.db2.gz OOMQCUOXFUFZCS-JOCHJYFZSA-N 2 0 477.451 2.552 20 0 JFADRP CC(C)NC(=O)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001291103259 1063079823 /nfs/dbraw/zinc/07/98/23/1063079823.db2.gz ASHAJUGLQRVSIT-SFTDATJTSA-N 2 0 459.683 2.991 20 0 JFADRP CC(C)[N@@H+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCC[C@H](C)C2)CC1 ZINC001291126102 1063153304 /nfs/dbraw/zinc/15/33/04/1063153304.db2.gz GRGVZHJUVKOBSC-FQEVSTJZSA-N 2 0 454.623 2.578 20 0 JFADRP CC(C)NC(=O)c1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291141439 1063214754 /nfs/dbraw/zinc/21/47/54/1063214754.db2.gz NUAXQFGFNZKQSH-QHCPKHFHSA-N 2 0 481.689 2.901 20 0 JFADRP CC(C)NC(=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CCCC[NH+]1CCC(C)CC1 ZINC001291179638 1063268952 /nfs/dbraw/zinc/26/89/52/1063268952.db2.gz ISVKBBXYGHLZMN-JOCHJYFZSA-N 2 0 489.709 2.618 20 0 JFADRP C[C@@H]1C[NH+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C[C@@H](C)O1 ZINC001291187968 1063298962 /nfs/dbraw/zinc/29/89/62/1063298962.db2.gz BZBWOLHIZUFSBR-NHCUHLMSSA-N 2 0 489.709 2.599 20 0 JFADRP CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001295358318 1063314851 /nfs/dbraw/zinc/31/48/51/1063314851.db2.gz IKZBDGAUDPWXDX-VQTJNVASSA-N 2 0 454.623 2.720 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001295358316 1063314890 /nfs/dbraw/zinc/31/48/90/1063314890.db2.gz IKZBDGAUDPWXDX-UXHICEINSA-N 2 0 454.623 2.720 20 0 JFADRP CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001295359432 1063319737 /nfs/dbraw/zinc/31/97/37/1063319737.db2.gz YEYPSCOHELDDLE-NRFANRHFSA-N 2 0 455.651 2.777 20 0 JFADRP CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001295364738 1063327133 /nfs/dbraw/zinc/32/71/33/1063327133.db2.gz HHLQMJIUZHSXLE-UXHICEINSA-N 2 0 472.634 2.604 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001295384087 1063358271 /nfs/dbraw/zinc/35/82/71/1063358271.db2.gz FIMHNBQWXHMPKI-YADHBBJMSA-N 2 0 467.662 2.842 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CCC[NH+]2CCCC2)CC1 ZINC001295482275 1063499127 /nfs/dbraw/zinc/49/91/27/1063499127.db2.gz HRLRKFMFPSTXSG-UHFFFAOYSA-N 2 0 467.662 2.730 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001295482609 1063503453 /nfs/dbraw/zinc/50/34/53/1063503453.db2.gz UYCMXRMFJBVNSK-JOCHJYFZSA-N 2 0 496.704 2.841 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC001295490696 1063518050 /nfs/dbraw/zinc/51/80/50/1063518050.db2.gz FLIHCVUIINBJTH-HSZRJFAPSA-N 2 0 495.716 2.914 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC3CC3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001295491044 1063520706 /nfs/dbraw/zinc/52/07/06/1063520706.db2.gz NSMGFPVIRSEIDC-QFQXNSOFSA-N 2 0 473.710 2.732 20 0 JFADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001295503270 1063537983 /nfs/dbraw/zinc/53/79/83/1063537983.db2.gz KROJHAKPGDMHDV-VXKWHMMOSA-N 2 0 459.683 2.947 20 0 JFADRP CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CC[N@H+](CC)C2)C1 ZINC001295506329 1063543067 /nfs/dbraw/zinc/54/30/67/1063543067.db2.gz JTUNNRSPMCIBSA-RTWAWAEBSA-N 2 0 488.702 2.859 20 0 JFADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001295511071 1063545588 /nfs/dbraw/zinc/54/55/88/1063545588.db2.gz ATIPVLAMVOCDEY-FCHUYYIVSA-N 2 0 457.667 2.809 20 0 JFADRP CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001295511072 1063545747 /nfs/dbraw/zinc/54/57/47/1063545747.db2.gz ATIPVLAMVOCDEY-FGZHOGPDSA-N 2 0 457.667 2.809 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCSCC1 ZINC001295569582 1063604247 /nfs/dbraw/zinc/60/42/47/1063604247.db2.gz GJGVKUAUZWNDKO-JOCHJYFZSA-N 2 0 471.719 2.926 20 0 JFADRP C[C@@H]1C[N@H+](CCCn2c(CC(C)(C)C)nnc2N2CC[NH+](C[C@H]3CCOC3)CC2)CCCO1 ZINC001291292682 1063677506 /nfs/dbraw/zinc/67/75/06/1063677506.db2.gz IAJFFXBBLJXDCH-FGZHOGPDSA-N 2 0 462.683 2.526 20 0 JFADRP C[C@H]1C[N@H+](CCCn2c(N3CC[NH+](CC4CCOCC4)CC3)nnc2C(C)(C)C)CCCO1 ZINC001291294520 1063690388 /nfs/dbraw/zinc/69/03/88/1063690388.db2.gz KXTGFCLPVWFUDX-NRFANRHFSA-N 2 0 462.683 2.625 20 0 JFADRP CC[N@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1)C(C)C ZINC001295848035 1063871440 /nfs/dbraw/zinc/87/14/40/1063871440.db2.gz GREGDNZSCQUMSF-HSZRJFAPSA-N 2 0 475.726 2.897 20 0 JFADRP CC[N@H+](CCn1c([C@H]2CCOC2)nnc1N1CC[NH+](C2CCOCC2)C[C@H]1C)CCC(F)(F)F ZINC001295854679 1063884053 /nfs/dbraw/zinc/88/40/53/1063884053.db2.gz YCGMSDOQXHLPMV-MOPGFXCFSA-N 2 0 488.599 2.746 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C[C@@H]1C ZINC001295977438 1064023313 /nfs/dbraw/zinc/02/33/13/1064023313.db2.gz KPVVLVJNVVHYSE-WFXMLNOXSA-N 2 0 459.614 2.777 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2CC2CCN(c3cc[nH+]cc3)CC2)C[C@@H]1C ZINC001295977440 1064023502 /nfs/dbraw/zinc/02/35/02/1064023502.db2.gz KQMCRNFHULMJFC-PMACEKPBSA-N 2 0 468.650 2.647 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)[NH+](C)C2CC2)C[C@H]1C ZINC001295979647 1064027951 /nfs/dbraw/zinc/02/79/51/1064027951.db2.gz WVJJYVQECSSSMA-OTWHNJEPSA-N 2 0 474.675 2.750 20 0 JFADRP CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001291471084 1064032998 /nfs/dbraw/zinc/03/29/98/1064032998.db2.gz YVLQUVHDBVEFBG-GRSYGWAWSA-N 2 0 473.710 2.902 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCC[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001295982020 1064033270 /nfs/dbraw/zinc/03/32/70/1064033270.db2.gz VZHURBVXKRREFH-VSKRKVRLSA-N 2 0 459.683 2.945 20 0 JFADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc4ccccc4n3)n2CCOCC[NH+](C)C)C[C@@H]1C ZINC001295986257 1064042964 /nfs/dbraw/zinc/04/29/64/1064042964.db2.gz UXJSGCSMIHNOFQ-VQTJNVASSA-N 2 0 451.619 2.990 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCCCO3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC001295998068 1064054845 /nfs/dbraw/zinc/05/48/45/1064054845.db2.gz SQJXVIAMZJREJX-QNWVGRARSA-N 2 0 461.699 2.712 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001296003438 1064058873 /nfs/dbraw/zinc/05/88/73/1064058873.db2.gz UEWGTFFORHWLSD-YADHBBJMSA-N 2 0 454.663 2.943 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001296008349 1064061701 /nfs/dbraw/zinc/06/17/01/1064061701.db2.gz GYXXXSIRGFPKLJ-FUPPJEDESA-N 2 0 455.651 2.540 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001296008351 1064061737 /nfs/dbraw/zinc/06/17/37/1064061737.db2.gz GYXXXSIRGFPKLJ-GIWBLDEGSA-N 2 0 455.651 2.540 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C[C@@H]1C ZINC001296009528 1064064962 /nfs/dbraw/zinc/06/49/62/1064064962.db2.gz LCLMPWKPEAMNFG-CNNODRBYSA-N 2 0 471.625 2.761 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001296013589 1064074643 /nfs/dbraw/zinc/07/46/43/1064074643.db2.gz OEBRMOIGSFVZGX-LLINQDLYSA-N 2 0 492.709 2.809 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2C[C@@H]2CCC[NH+]2CCCO)C[C@@H]1C ZINC001296013854 1064075066 /nfs/dbraw/zinc/07/50/66/1064075066.db2.gz OUFKKQOBWFXDIH-ACRUOGEOSA-N 2 0 474.625 2.762 20 0 JFADRP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001291579633 1064106684 /nfs/dbraw/zinc/10/66/84/1064106684.db2.gz KDTFUOILNHVPSE-WWPVKYPJSA-N 2 0 485.652 2.976 20 0 JFADRP CC[N@@H+]1CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[NH+](C(C)C)CC2)C1 ZINC001296052390 1064114037 /nfs/dbraw/zinc/11/40/37/1064114037.db2.gz RGXNLTNYDXUEPC-LJQANCHMSA-N 2 0 459.664 2.532 20 0 JFADRP CC[C@@H](C)c1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291583292 1064116656 /nfs/dbraw/zinc/11/66/56/1064116656.db2.gz RCWRDMQZEHMPAB-YADHBBJMSA-N 2 0 461.699 2.902 20 0 JFADRP CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CC[NH+](CCOC)[C@H](C)C1 ZINC001296084735 1064152206 /nfs/dbraw/zinc/15/22/06/1064152206.db2.gz ODVHCOQIHYBDHJ-NHCUHLMSSA-N 2 0 456.635 2.985 20 0 JFADRP CC[C@@H](C)c1nnc(N2CC[NH+](C3CCOCC3)C[C@H]2C)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001291620250 1064158799 /nfs/dbraw/zinc/15/87/99/1064158799.db2.gz HXWCTLNHABTDGH-NHCUHLMSSA-N 2 0 461.699 2.507 20 0 JFADRP CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](CCOC)[C@H](C)C1 ZINC001296088425 1064158853 /nfs/dbraw/zinc/15/88/53/1064158853.db2.gz LAIXYCNIALNOEN-IRLDBZIGSA-N 2 0 486.661 2.994 20 0 JFADRP CC[C@@H](C)c1nnc(N2CC[NH+](C3CCOCC3)C[C@@H]2C)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001291620251 1064158837 /nfs/dbraw/zinc/15/88/37/1064158837.db2.gz HXWCTLNHABTDGH-RTWAWAEBSA-N 2 0 461.699 2.507 20 0 JFADRP CC[C@@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001291620518 1064159945 /nfs/dbraw/zinc/15/99/45/1064159945.db2.gz JWCKOQONOFTNBH-SELNLUPBSA-N 2 0 450.697 2.918 20 0 JFADRP CC[N@@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001296093678 1064165948 /nfs/dbraw/zinc/16/59/48/1064165948.db2.gz PVJQTJIDFOWSOG-OAQYLSRUSA-N 2 0 459.683 2.833 20 0 JFADRP CC[C@H](C)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001291629211 1064173472 /nfs/dbraw/zinc/17/34/72/1064173472.db2.gz ILDQYOUTUVZNGR-UPVQGACJSA-N 2 0 484.689 2.883 20 0 JFADRP CC[C@@H](C)c1nnc(N2CC[N@H+](CCOC)[C@@H](C)C2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001291642597 1064192317 /nfs/dbraw/zinc/19/23/17/1064192317.db2.gz LPUHSATYTUDIJA-YADHBBJMSA-N 2 0 484.693 2.534 20 0 JFADRP CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCC([NH2+]C(C)C)CC2)CC1 ZINC001296127604 1064221622 /nfs/dbraw/zinc/22/16/22/1064221622.db2.gz VLLYVLBHAYYGBY-NRFANRHFSA-N 2 0 469.678 2.947 20 0 JFADRP CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001296132227 1064228922 /nfs/dbraw/zinc/22/89/22/1064228922.db2.gz RYHRQAJAZKMLRE-NRFANRHFSA-N 2 0 459.708 2.877 20 0 JFADRP CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001296132587 1064230553 /nfs/dbraw/zinc/23/05/53/1064230553.db2.gz BTEOZPHXMRLWLR-DNVJHFABSA-N 2 0 499.704 2.811 20 0 JFADRP CC[C@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001291762599 1064243686 /nfs/dbraw/zinc/24/36/86/1064243686.db2.gz YXOLBMRMNDIEAU-VQTJNVASSA-N 2 0 454.623 2.720 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H](C)[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001296137475 1064243901 /nfs/dbraw/zinc/24/39/01/1064243901.db2.gz PJBAEJZSCOHETQ-NHCUHLMSSA-N 2 0 455.651 2.857 20 0 JFADRP CC[N@@H+]1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H](C)[NH+]2CCc3ccccc3C2)C[C@@H]1C ZINC001296142454 1064249401 /nfs/dbraw/zinc/24/94/01/1064249401.db2.gz LOFLTDQNKLUJPB-FKBYEOEOSA-N 2 0 470.662 2.979 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001296145920 1064256220 /nfs/dbraw/zinc/25/62/20/1064256220.db2.gz HCXSTCTXFFGCJB-IBGZPJMESA-N 2 0 472.634 2.604 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+](C)C2CCCC2)C[C@H]1C ZINC001296147627 1064258417 /nfs/dbraw/zinc/25/84/17/1064258417.db2.gz PTOFJKSNUFRTPO-LJQANCHMSA-N 2 0 474.675 2.753 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001296148281 1064259299 /nfs/dbraw/zinc/25/92/99/1064259299.db2.gz VNRZXYXTLIKGHR-UXHICEINSA-N 2 0 454.623 2.578 20 0 JFADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C[C@@H]1C ZINC001296157458 1064269880 /nfs/dbraw/zinc/26/98/80/1064269880.db2.gz XPEWBLWBJDVOKV-ZJOUEHCJSA-N 2 0 453.635 2.889 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC[NH+](C)C(C)C)C[C@@H]1C ZINC001296159215 1064272951 /nfs/dbraw/zinc/27/29/51/1064272951.db2.gz KZCIOYDADGBBDU-NRFANRHFSA-N 2 0 469.682 2.713 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001296167879 1064291400 /nfs/dbraw/zinc/29/14/00/1064291400.db2.gz VHXJMGUGQLQJLQ-UPVQGACJSA-N 2 0 470.662 2.787 20 0 JFADRP CC[NH+]1CCN([C@H]2CCN(c3nnc(Cc4csc(C)n4)n3CC[NH+](C(C)C)C(C)C)C2)CC1 ZINC001296181762 1064317710 /nfs/dbraw/zinc/31/77/10/1064317710.db2.gz CEFFUOPSAKPVBV-QHCPKHFHSA-N 2 0 488.750 2.969 20 0 JFADRP CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001296181853 1064319113 /nfs/dbraw/zinc/31/91/13/1064319113.db2.gz FLLICMMMARYFAI-JTHBVZDNSA-N 2 0 471.669 2.955 20 0 JFADRP CC[NH+]1CCN(CCCn2c(COc3ccc(F)cc3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001296214888 1064414965 /nfs/dbraw/zinc/41/49/65/1064414965.db2.gz QBDZTTCHKLFRMI-UHFFFAOYSA-N 2 0 473.641 2.554 20 0 JFADRP CCC(CC)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC001291973622 1064588218 /nfs/dbraw/zinc/58/82/18/1064588218.db2.gz IDRJQRWCQCDIGW-FCHUYYIVSA-N 2 0 459.683 2.832 20 0 JFADRP CCC(CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC001291973624 1064588348 /nfs/dbraw/zinc/58/83/48/1064588348.db2.gz IDRJQRWCQCDIGW-VXKWHMMOSA-N 2 0 459.683 2.832 20 0 JFADRP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[NH+](CC)C[C@H]2C)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292019365 1064656984 /nfs/dbraw/zinc/65/69/84/1064656984.db2.gz DVKXMAWIBILEJV-JSXRDJHFSA-N 2 0 477.698 2.615 20 0 JFADRP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001292019366 1064657049 /nfs/dbraw/zinc/65/70/49/1064657049.db2.gz DVKXMAWIBILEJV-TUFLPTIASA-N 2 0 477.698 2.615 20 0 JFADRP CC[C@@H](Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1)[NH+]1CCCC1 ZINC001292196868 1064988675 /nfs/dbraw/zinc/98/86/75/1064988675.db2.gz XWLXZQXEAYONPT-QHCPKHFHSA-N 2 0 467.662 2.810 20 0 JFADRP CC[C@@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[NH+](C(C)C)CC1)OC ZINC001292243253 1065025831 /nfs/dbraw/zinc/02/58/31/1065025831.db2.gz QNQGDEDXMHVZNM-DEOSSOPVSA-N 2 0 469.678 2.598 20 0 JFADRP Cn1nc2cc(Br)ccc2c1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001292314901 1065082304 /nfs/dbraw/zinc/08/23/04/1065082304.db2.gz WHDUQGQHUBRPMW-UHFFFAOYSA-N 2 0 457.376 2.673 20 0 JFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)COc1cccc(I)c1 ZINC001292581670 1065298874 /nfs/dbraw/zinc/29/88/74/1065298874.db2.gz DTCFJOWJAMZRHH-QGZVFWFLSA-N 2 0 459.372 2.545 20 0 JFADRP CCc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCCN(C(C)=O)CC3)C2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001292892480 1065590288 /nfs/dbraw/zinc/59/02/88/1065590288.db2.gz DRRIKEGDLRNEJN-PXDATVDWSA-N 2 0 481.689 2.719 20 0 JFADRP CCc1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCC[NH+](C)Cc1ccccc1 ZINC001292893441 1065594071 /nfs/dbraw/zinc/59/40/71/1065594071.db2.gz OBAMSMJCHNOMMM-DHLKQENFSA-N 2 0 481.689 2.742 20 0 JFADRP CCc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001293044599 1065709269 /nfs/dbraw/zinc/70/92/69/1065709269.db2.gz MKNZNLFGGIXJCG-HXUWFJFHSA-N 2 0 481.567 2.996 20 0 JFADRP CCc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1C[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC001293112462 1065758352 /nfs/dbraw/zinc/75/83/52/1065758352.db2.gz FEPPSGYHGYAGPT-VWLOTQADSA-N 2 0 489.753 2.972 20 0 JFADRP CCc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1C[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC001293112459 1065758393 /nfs/dbraw/zinc/75/83/93/1065758393.db2.gz FEPPSGYHGYAGPT-RUZDIDTESA-N 2 0 489.753 2.972 20 0 JFADRP CCc1nnc(N2CCN(C[C@H]3C[NH+](C(C)C)CCO3)CC2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001293132051 1065784506 /nfs/dbraw/zinc/78/45/06/1065784506.db2.gz UVPQZQBDAYYIGM-VWLOTQADSA-N 2 0 483.705 2.572 20 0 JFADRP C[NH+]1CCN(c2ccccc2CNC(=O)CC[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001293182548 1065804516 /nfs/dbraw/zinc/80/45/16/1065804516.db2.gz JUFWIDMAZWTCFX-UHFFFAOYSA-N 2 0 456.034 2.920 20 0 JFADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)cc1 ZINC001293203502 1065831472 /nfs/dbraw/zinc/83/14/72/1065831472.db2.gz JOXSACLUFNZHJM-XNMGPUDCSA-N 2 0 451.611 2.824 20 0 JFADRP CC[C@H]1CCCC[N@@H+]1CCn1c(C(C)C)nnc1N1CCN(C[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001293361388 1065965045 /nfs/dbraw/zinc/96/50/45/1065965045.db2.gz AGIGBFAVMXKWRB-BJKOFHAPSA-N 2 0 475.726 2.897 20 0 JFADRP CC[N@H+](CC(=O)N(CCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1F)C1CC1 ZINC001293384229 1065985732 /nfs/dbraw/zinc/98/57/32/1065985732.db2.gz UPVAQKVWUAMVQV-UHFFFAOYSA-N 2 0 455.416 2.649 20 0 JFADRP CC[C@@H]1CN(c2nnc(C)n2C[C@@H](c2ccccc2OC)[NH+]2CCCC2)CC[N@@H+]1CCOC ZINC001293530369 1066049426 /nfs/dbraw/zinc/04/94/26/1066049426.db2.gz OUSVLYHYCNLWJA-GGAORHGYSA-N 2 0 456.635 2.979 20 0 JFADRP CC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC[N@@H+]1CCOC ZINC001293592702 1066098133 /nfs/dbraw/zinc/09/81/33/1066098133.db2.gz CVWYRDJZDHJFHG-MZYLBHOOSA-N 2 0 474.625 2.771 20 0 JFADRP CC[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@@]2([NH+](C)C)CCSC2)CC[N@@H+]1CCOC ZINC001293624118 1066140160 /nfs/dbraw/zinc/14/01/60/1066140160.db2.gz VCNHIZYLQKGIDR-QPPBQGQZSA-N 2 0 464.724 2.995 20 0 JFADRP CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CCOC ZINC001294076527 1066546020 /nfs/dbraw/zinc/54/60/20/1066546020.db2.gz KLVZHJLYZGPHBH-JOCHJYFZSA-N 2 0 472.682 2.880 20 0 JFADRP C[NH+]1CCN(c2cccc(N([C@@H]3CCC34CC[NH2+]CC4)S(=O)(=O)c3ccccc3)n2)CC1 ZINC001164688486 719592544 /nfs/dbraw/zinc/59/25/44/719592544.db2.gz WVJOFLRYBNRMMM-OAQYLSRUSA-N 2 0 455.628 2.561 20 0 JFADRP CC(C)N(C)Cc1nn(-c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@@H](CO)C2)c2c1CC[NH2+]C2 ZINC001164681981 719631161 /nfs/dbraw/zinc/63/11/61/719631161.db2.gz KPRKTWGAIHCOIC-LJQANCHMSA-N 2 0 497.688 2.552 20 0 JFADRP Cc1cnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1C1C[NH2+]C1 ZINC001164688244 719684319 /nfs/dbraw/zinc/68/43/19/719684319.db2.gz YROZAZNSGBEYEK-FQEVSTJZSA-N 2 0 462.642 2.565 20 0 JFADRP Cc1cnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1C1C[NH2+]C1 ZINC001164688245 719684607 /nfs/dbraw/zinc/68/46/07/719684607.db2.gz YROZAZNSGBEYEK-HXUWFJFHSA-N 2 0 462.642 2.565 20 0 JFADRP Cc1nc(CN2CCN(C)C3(CCN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)CC3)C2=O)cs1 ZINC001164821858 720383799 /nfs/dbraw/zinc/38/37/99/720383799.db2.gz JXHIEICXOWVZAM-UHFFFAOYSA-N 2 0 484.670 2.633 20 0 JFADRP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164744543 720820687 /nfs/dbraw/zinc/82/06/87/720820687.db2.gz VDLOOFVQCDWRFU-SVFBPWRDSA-N 2 0 457.026 2.568 20 0 JFADRP CC(C)(C)C(=O)Nc1ccnc(N2CC3(C2)CC[N@H+](CC2CC2)C3)c1C[NH+]1CC[C@@H](CO)C1 ZINC001164770406 721293754 /nfs/dbraw/zinc/29/37/54/721293754.db2.gz RWDUVUVOLCTXIK-HXUWFJFHSA-N 2 0 455.647 2.803 20 0 JFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4CN(C(=O)c5ccsc5)CCO[C@H]4C3)c2)CC1 ZINC001164874853 721299686 /nfs/dbraw/zinc/29/96/86/721299686.db2.gz DHZADHIASQKTRZ-GCJKJVERSA-N 2 0 456.612 2.984 20 0 JFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)N4c4nccs4)C3)c2)CC1 ZINC001164899509 721495582 /nfs/dbraw/zinc/49/55/82/721495582.db2.gz KUFGAJJMHFHRFQ-CNNODRBYSA-N 2 0 480.642 2.777 20 0 JFADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC3([NH+](C)C)CCC3)C[C@@H]2C)CC1 ZINC001286868463 1061257085 /nfs/dbraw/zinc/25/70/85/1061257085.db2.gz AHWAWGBGQXQWCJ-RBBKRZOGSA-N 2 0 473.710 2.730 20 0 JFADRP CC(=O)N1CCCN(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001286868761 1061258898 /nfs/dbraw/zinc/25/88/98/1061258898.db2.gz NSKNZVHZOXWFDZ-UHFFFAOYSA-N 2 0 482.677 2.533 20 0 JFADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC[NH+]3CCC(C)CC3)C[C@@H]2C)CC1 ZINC001286869520 1061262668 /nfs/dbraw/zinc/26/26/68/1061262668.db2.gz FJQNKPIIWPHLMM-LADGPHEKSA-N 2 0 487.737 2.978 20 0 JFADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(C)C)n3CC[NH+]3CCC[C@H](C)C3)C[C@H]2C)CC1 ZINC001286869918 1061264548 /nfs/dbraw/zinc/26/45/48/1061264548.db2.gz GQKXPWKBXIUUTK-QZNHQXDQSA-N 2 0 459.683 2.512 20 0 JFADRP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCC[N@@H+](C)C(C)C)C[C@@H]2C)CC1 ZINC001286871688 1061272849 /nfs/dbraw/zinc/27/28/49/1061272849.db2.gz OWEGEUNXBXUNJX-RBBKRZOGSA-N 2 0 461.699 2.685 20 0 JFADRP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCC[N@@H+](C)C(C)C)C[C@H]2C)CC1 ZINC001286871486 1061273088 /nfs/dbraw/zinc/27/30/88/1061273088.db2.gz OWEGEUNXBXUNJX-IFMALSPDSA-N 2 0 461.699 2.685 20 0 JFADRP CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C(C)C)n3CC[NH+](C)C3CCCC3)C[C@H]2C)CC1 ZINC001286872782 1061281013 /nfs/dbraw/zinc/28/10/13/1061281013.db2.gz XWXRCYBBXLLCDB-OFNKIYASSA-N 2 0 459.683 2.655 20 0 JFADRP CCCC[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294212031 1061717660 /nfs/dbraw/zinc/71/76/60/1061717660.db2.gz YCAYMRMJINHUCY-SZPZYZBQSA-N 2 0 489.709 2.572 20 0 JFADRP Cc1cccc(C[NH+]2CCN(c3nnc(C(=O)N4CCCC4)n3CCC[N@@H+](C)C(C)C)CC2)c1 ZINC001290034028 1061750291 /nfs/dbraw/zinc/75/02/91/1061750291.db2.gz ONWRLITXYANHTQ-UHFFFAOYSA-N 2 0 467.662 2.875 20 0 JFADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CC[NH+](C)C2)C1 ZINC001294470426 1062024462 /nfs/dbraw/zinc/02/44/62/1062024462.db2.gz LMAUGMWPRHPHQQ-DVECYGJZSA-N 2 0 477.053 2.745 20 0 JFADRP Cc1nc(Cc2nnc(N3CCC(C[NH+]4CCOCC4)CC3)n2CC[N@@H+](C)C(C)C)cs1 ZINC001290416583 1062138663 /nfs/dbraw/zinc/13/86/63/1062138663.db2.gz BQWHHOPGZNSORN-UHFFFAOYSA-N 2 0 461.680 2.523 20 0 JFADRP CCC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC001294631995 1062139091 /nfs/dbraw/zinc/13/90/91/1062139091.db2.gz DXMCEFKKGPJLJI-ORFBVSJDSA-N 2 0 459.683 2.849 20 0 JFADRP CCC[N@@H+]1CC[C@H](Cn2c(-c3ccccc3C)nnc2N2CCN(C(=O)C[NH+](CC)CC)CC2)C1 ZINC001294648760 1062190193 /nfs/dbraw/zinc/19/01/93/1062190193.db2.gz TZJZOFJMFLHJNZ-QHCPKHFHSA-N 2 0 481.689 2.976 20 0 JFADRP Cc1nc(Cc2nnc(N3CC[NH+](CC4CCOCC4)CC3)n2CCC[N@@H+](C)C(C)C)cs1 ZINC001290435579 1062205533 /nfs/dbraw/zinc/20/55/33/1062205533.db2.gz UZLYVQBTFPGFPJ-UHFFFAOYSA-N 2 0 475.707 2.913 20 0 JFADRP CCC[N@@H+]1CC[C@H](Cn2c(Cc3ccccc3F)nnc2N2CC[NH+](CCOC)[C@H](C)C2)C1 ZINC001294663162 1062215924 /nfs/dbraw/zinc/21/59/24/1062215924.db2.gz RZRSNOWKZTWYTB-RTWAWAEBSA-N 2 0 458.626 2.897 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCOC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001294684611 1062244655 /nfs/dbraw/zinc/24/46/55/1062244655.db2.gz VAFUFMOGVNTTJV-NJDAHSKKSA-N 2 0 462.683 2.980 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccn3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001294687839 1062248028 /nfs/dbraw/zinc/24/80/28/1062248028.db2.gz RJFPSFVHOUFRFX-DEOSSOPVSA-N 2 0 469.678 2.931 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCCO3)n2C[C@@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC001294693222 1062253221 /nfs/dbraw/zinc/25/32/21/1062253221.db2.gz OGRZNDQYFPKVFB-JTHBVZDNSA-N 2 0 461.699 2.714 20 0 JFADRP CCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001294708071 1062273600 /nfs/dbraw/zinc/27/36/00/1062273600.db2.gz QPSDTGRRIPTDES-GOTSBHOMSA-N 2 0 489.709 2.775 20 0 JFADRP Cc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001290736895 1062657813 /nfs/dbraw/zinc/65/78/13/1062657813.db2.gz GQTUKJXRKYMBLK-VXKWHMMOSA-N 2 0 469.678 2.733 20 0 JFADRP CC(C)c1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1CCCC[NH+]1CCOCC1 ZINC001287225186 1062712985 /nfs/dbraw/zinc/71/29/85/1062712985.db2.gz WSADIRSQQXBOAG-DHIUTWEWSA-N 2 0 461.699 2.509 20 0 JFADRP CC(C)C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[NH+](C)C ZINC001287335473 1062813928 /nfs/dbraw/zinc/81/39/28/1062813928.db2.gz VQYKDEXTUOTMIU-ZEQRLZLVSA-N 2 0 499.679 2.727 20 0 JFADRP CC(C)C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)[NH+](C)C ZINC001287340020 1062817549 /nfs/dbraw/zinc/81/75/49/1062817549.db2.gz AOSXNUNWPLIFMC-DNVJHFABSA-N 2 0 461.699 2.711 20 0 JFADRP CC(C)[NH2+]C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001290998139 1062891002 /nfs/dbraw/zinc/89/10/02/1062891002.db2.gz OBJFLJJUMVUGKY-HSALFYBXSA-N 2 0 497.754 2.612 20 0 JFADRP CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001287461762 1062899798 /nfs/dbraw/zinc/89/97/98/1062899798.db2.gz CARUNYMZHDMOPL-XPWALMASSA-N 2 0 487.737 2.976 20 0 JFADRP C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291012676 1062918167 /nfs/dbraw/zinc/91/81/67/1062918167.db2.gz CSYGCCWINNECQV-QHAWAJNXSA-N 2 0 497.754 2.567 20 0 JFADRP CC(C)[NH2+]C1CCN(c2nnc(CN3CCCC3=O)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001291014525 1062923579 /nfs/dbraw/zinc/92/35/79/1062923579.db2.gz DVOQPXRRXXLAQE-SFTDATJTSA-N 2 0 459.683 2.735 20 0 JFADRP CC(C)[NH2+]C1CCN(c2nnc(CN3CCCC3=O)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001291014523 1062923750 /nfs/dbraw/zinc/92/37/50/1062923750.db2.gz DVOQPXRRXXLAQE-NHCUHLMSSA-N 2 0 459.683 2.735 20 0 JFADRP CCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC1(SC)CC[NH+](C)CC1 ZINC001295118904 1062936909 /nfs/dbraw/zinc/93/69/09/1062936909.db2.gz JEJQGGQPQXJXTQ-UHFFFAOYSA-N 2 0 471.719 2.926 20 0 JFADRP CC(C)C[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001287749128 1063073237 /nfs/dbraw/zinc/07/32/37/1063073237.db2.gz DVNHFYUBGDJXGF-BJKOFHAPSA-N 2 0 480.723 2.534 20 0 JFADRP CC(C)C[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001287749132 1063073742 /nfs/dbraw/zinc/07/37/42/1063073742.db2.gz DVNHFYUBGDJXGF-ZEQRLZLVSA-N 2 0 480.723 2.534 20 0 JFADRP C[C@H]1CCC[N@@H+](C(C)(C)Cn2c(N3CCN(C(=O)C[NH+]4CCCC4)CC3)nnc2C(C)(C)C)C1 ZINC001291103394 1063080487 /nfs/dbraw/zinc/08/04/87/1063080487.db2.gz DALJJMJSGYXNMY-NRFANRHFSA-N 2 0 473.710 2.831 20 0 JFADRP CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001287770459 1063097560 /nfs/dbraw/zinc/09/75/60/1063097560.db2.gz UIOARFBUDUYXSZ-IRLDBZIGSA-N 2 0 453.635 2.528 20 0 JFADRP CC(C)[N@H+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCC[C@@H](C)C2)CC1 ZINC001291128895 1063167709 /nfs/dbraw/zinc/16/77/09/1063167709.db2.gz FKLWQFJSQSURBA-OAQYLSRUSA-N 2 0 459.683 2.689 20 0 JFADRP CC(C)O[C@@]1(c2nnc(N3CC[NH+](C4CCC4)C[C@@H](C)C3)n2CC[N@H+](C)C(C)C)CCOC1 ZINC001291210207 1063386644 /nfs/dbraw/zinc/38/66/44/1063386644.db2.gz YBLKAOJDMPUSBF-BWKNWUBXSA-N 2 0 462.683 2.970 20 0 JFADRP CCN(CC)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001295456346 1063459903 /nfs/dbraw/zinc/45/99/03/1063459903.db2.gz JOQIPMBZOVJNAS-UHFFFAOYSA-N 2 0 469.678 2.600 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001295474475 1063481093 /nfs/dbraw/zinc/48/10/93/1063481093.db2.gz AAPLJYDQCFAXNB-UHFFFAOYSA-N 2 0 467.662 2.821 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc(Cc3ccccn3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001295486151 1063515171 /nfs/dbraw/zinc/51/51/71/1063515171.db2.gz GNEDLDROFRWVLK-UHFFFAOYSA-N 2 0 455.651 2.685 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC3CC3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001295491043 1063520407 /nfs/dbraw/zinc/52/04/07/1063520407.db2.gz NSMGFPVIRSEIDC-LVXARBLLSA-N 2 0 473.710 2.732 20 0 JFADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCC[N@@H+]2CC)C1 ZINC001295502137 1063535804 /nfs/dbraw/zinc/53/58/04/1063535804.db2.gz ARWXZMPTBZREAE-LEWJYISDSA-N 2 0 468.650 2.968 20 0 JFADRP CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001295503268 1063537949 /nfs/dbraw/zinc/53/79/49/1063537949.db2.gz KROJHAKPGDMHDV-FCHUYYIVSA-N 2 0 459.683 2.947 20 0 JFADRP CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001295511074 1063545805 /nfs/dbraw/zinc/54/58/05/1063545805.db2.gz ATIPVLAMVOCDEY-YADHBBJMSA-N 2 0 457.667 2.809 20 0 JFADRP CC[NH+](CC)C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001295523740 1063560552 /nfs/dbraw/zinc/56/05/52/1063560552.db2.gz YOHYKLUMDCFVJI-NHCUHLMSSA-N 2 0 459.683 2.689 20 0 JFADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001295523738 1063560631 /nfs/dbraw/zinc/56/06/31/1063560631.db2.gz YOHYKLUMDCFVJI-LEWJYISDSA-N 2 0 459.683 2.689 20 0 JFADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1CCC[NH+]1CCCO[C@@H](C)C1 ZINC001291295126 1063693378 /nfs/dbraw/zinc/69/33/78/1063693378.db2.gz VDKQKFSFLGSILQ-RTWAWAEBSA-N 2 0 462.683 2.766 20 0 JFADRP CC[N@H+](CCn1c(-c2cccnc2)nnc1N1CC[NH+](C2CCOCC2)CC1)CCC(F)(F)F ZINC001295838198 1063856685 /nfs/dbraw/zinc/85/66/85/1063856685.db2.gz HDAAYGALQLGXLS-UHFFFAOYSA-N 2 0 481.567 2.915 20 0 JFADRP CC[N@H+](CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C2CCOCC2)C[C@H]1C)CCC(F)(F)F ZINC001295842664 1063862674 /nfs/dbraw/zinc/86/26/74/1063862674.db2.gz ZYAIEIVNASPRSZ-GOSISDBHSA-N 2 0 498.598 2.642 20 0 JFADRP CC[N@H+](CCn1c(C2CC2)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1)CCC(F)(F)F ZINC001295844462 1063863980 /nfs/dbraw/zinc/86/39/80/1063863980.db2.gz CKUUYJSKWCDWPM-UHFFFAOYSA-N 2 0 468.572 2.876 20 0 JFADRP CC[N@H+](CCn1c(C2CCC2)nnc1N1CCN(C[C@H]2C[NH+](C(C)C)CCO2)CC1)C(C)C ZINC001295844909 1063864813 /nfs/dbraw/zinc/86/48/13/1063864813.db2.gz GSXDVRDFBZYONP-QHCPKHFHSA-N 2 0 461.699 2.507 20 0 JFADRP CC[N@H+](CCn1c([C@H]2CCOC2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1)C(C)C ZINC001295851674 1063876351 /nfs/dbraw/zinc/87/63/51/1063876351.db2.gz GSJBJYBYKIDAFW-QFIPXVFZSA-N 2 0 461.699 2.507 20 0 JFADRP CC[N@H+](CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](CC)[C@@H](C)C1)C(C)C ZINC001295856467 1063887093 /nfs/dbraw/zinc/88/70/93/1063887093.db2.gz MDRGRDIUUDPKQK-LEWJYISDSA-N 2 0 493.697 2.847 20 0 JFADRP CC[N@H+](CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1)C(C)C ZINC001295867284 1063901934 /nfs/dbraw/zinc/90/19/34/1063901934.db2.gz TVWXYZKQORVAGV-UHFFFAOYSA-N 2 0 499.752 2.865 20 0 JFADRP CC[N@H+](CCn1c(N2CC[NH+](C3CCOCC3)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1)C(C)C ZINC001295868540 1063905045 /nfs/dbraw/zinc/90/50/45/1063905045.db2.gz PFYJBLPHAYFZEH-ATIYNZHBSA-N 2 0 492.709 2.739 20 0 JFADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001295975244 1064018625 /nfs/dbraw/zinc/01/86/25/1064018625.db2.gz BHYDVERGVCEFJD-VQTJNVASSA-N 2 0 454.623 2.720 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC001295981034 1064031486 /nfs/dbraw/zinc/03/14/86/1064031486.db2.gz QNWXKOMCWFOFMW-XKRYSZRTSA-N 2 0 497.754 2.564 20 0 JFADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001295981834 1064033639 /nfs/dbraw/zinc/03/36/39/1064033639.db2.gz BHEDQHXMGAZUQD-WOJBJXKFSA-N 2 0 486.661 2.992 20 0 JFADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001295981831 1064033732 /nfs/dbraw/zinc/03/37/32/1064033732.db2.gz BHEDQHXMGAZUQD-VQTJNVASSA-N 2 0 486.661 2.992 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCCCO3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC001295998066 1064054763 /nfs/dbraw/zinc/05/47/63/1064054763.db2.gz SQJXVIAMZJREJX-FUPPJEDESA-N 2 0 461.699 2.712 20 0 JFADRP CC[C@@H](C)c1nnc(N2CCC(CNC(C)=O)CC2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001291504870 1064056495 /nfs/dbraw/zinc/05/64/95/1064056495.db2.gz YVNXTUXREXGPAM-OAQYLSRUSA-N 2 0 482.677 2.751 20 0 JFADRP CC[C@H](C)c1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291509552 1064060551 /nfs/dbraw/zinc/06/05/51/1064060551.db2.gz GFYBJUPXRZAHDJ-MYDTUXCISA-N 2 0 475.726 2.896 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001296008823 1064062645 /nfs/dbraw/zinc/06/26/45/1064062645.db2.gz BPKRMYCXAWQLEG-ZCNNSNEGSA-N 2 0 473.691 2.920 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)[NH+](C)C2CC2)C[C@H]1C ZINC001296010431 1064068363 /nfs/dbraw/zinc/06/83/63/1064068363.db2.gz LDIKUNUOKFLBDO-KURKYZTESA-N 2 0 459.664 2.671 20 0 JFADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCOC(C)C)C[C@H]1C ZINC001296011352 1064070964 /nfs/dbraw/zinc/07/09/64/1064070964.db2.gz VEGDNXZMDUDKFP-DNQXCXABSA-N 2 0 483.705 2.987 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@H]1C ZINC001296011471 1064071549 /nfs/dbraw/zinc/07/15/49/1064071549.db2.gz PNPQAZTWYBDXQL-YADHBBJMSA-N 2 0 486.709 2.948 20 0 JFADRP CC[NH+]1CCC(CCn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC001296017490 1064079550 /nfs/dbraw/zinc/07/95/50/1064079550.db2.gz GKRMEZKOSUWBAK-UHFFFAOYSA-N 2 0 459.683 2.993 20 0 JFADRP CC[N@@H+]1CC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[NH+](CC)[C@@H](C)C2)C1 ZINC001296033719 1064092162 /nfs/dbraw/zinc/09/21/62/1064092162.db2.gz NUBVRHADRWUTGP-AZUAARDMSA-N 2 0 474.053 2.734 20 0 JFADRP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001291579629 1064106253 /nfs/dbraw/zinc/10/62/53/1064106253.db2.gz KDTFUOILNHVPSE-AJSBUHFISA-N 2 0 485.652 2.976 20 0 JFADRP CC[N@@H+]1CCC[C@H]1Cn1c(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)nnc1C(C)(C)C ZINC001296076224 1064144438 /nfs/dbraw/zinc/14/44/38/1064144438.db2.gz UGXPOLRYGPXQSU-QFIPXVFZSA-N 2 0 473.710 2.878 20 0 JFADRP CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](CCOC)[C@H](C)C1 ZINC001296086881 1064154972 /nfs/dbraw/zinc/15/49/72/1064154972.db2.gz BQCKPICJKIUWKX-IRLDBZIGSA-N 2 0 456.635 2.985 20 0 JFADRP CC[C@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001291620520 1064159910 /nfs/dbraw/zinc/15/99/10/1064159910.db2.gz JWCKOQONOFTNBH-YCRNBWNJSA-N 2 0 450.697 2.918 20 0 JFADRP CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC001296130961 1064224647 /nfs/dbraw/zinc/22/46/47/1064224647.db2.gz GXYQPKXXIQGINZ-LEWJYISDSA-N 2 0 457.642 2.564 20 0 JFADRP CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccccc3F)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001296131448 1064225824 /nfs/dbraw/zinc/22/58/24/1064225824.db2.gz KRMYWMGGAUBYHP-QFIPXVFZSA-N 2 0 471.669 2.955 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[NH+](CCc3ccccc3)C2)C[C@@H]1C ZINC001296136451 1064241761 /nfs/dbraw/zinc/24/17/61/1064241761.db2.gz IHGMGRBPTHPZEN-JTHBVZDNSA-N 2 0 467.662 2.511 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001296138820 1064245006 /nfs/dbraw/zinc/24/50/06/1064245006.db2.gz XQZZAQKIKGZGQF-LEWJYISDSA-N 2 0 453.635 2.565 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001296138821 1064245732 /nfs/dbraw/zinc/24/57/32/1064245732.db2.gz XQZZAQKIKGZGQF-NHCUHLMSSA-N 2 0 453.635 2.565 20 0 JFADRP CC[C@H](C)[N@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001291766678 1064248169 /nfs/dbraw/zinc/24/81/69/1064248169.db2.gz DYLLLMPHPFGVFX-SFTDATJTSA-N 2 0 456.635 2.985 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001296142653 1064250042 /nfs/dbraw/zinc/25/00/42/1064250042.db2.gz FDHFELQJJBRYEY-AABGKKOBSA-N 2 0 454.623 2.576 20 0 JFADRP CC[C@H](C)[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001291771509 1064254309 /nfs/dbraw/zinc/25/43/09/1064254309.db2.gz GKNIIUQTJYMCLO-ILWGZMRPSA-N 2 0 453.635 2.670 20 0 JFADRP CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[NH+](C(C)C)C2)C[C@H]1C ZINC001296145468 1064255787 /nfs/dbraw/zinc/25/57/87/1064255787.db2.gz YZRZQQZQLJVOEG-RQTOMXEWSA-N 2 0 462.683 2.970 20 0 JFADRP CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[NH+](C(C)C)C2)C[C@H]1C ZINC001296145469 1064255882 /nfs/dbraw/zinc/25/58/82/1064255882.db2.gz YZRZQQZQLJVOEG-SLSDLSHTSA-N 2 0 462.683 2.970 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3cccn3C)n2CCc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C ZINC001296153693 1064263254 /nfs/dbraw/zinc/26/32/54/1064263254.db2.gz CWPRQRUPRKUBGM-OAQYLSRUSA-N 2 0 465.646 2.997 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001296162835 1064276719 /nfs/dbraw/zinc/27/67/19/1064276719.db2.gz PYOALTVJKCWYSO-HKBOAZHASA-N 2 0 455.651 2.682 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001296162837 1064276951 /nfs/dbraw/zinc/27/69/51/1064276951.db2.gz PYOALTVJKCWYSO-PCCBWWKXSA-N 2 0 455.651 2.682 20 0 JFADRP CC[C@@H](C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001291785918 1064282379 /nfs/dbraw/zinc/28/23/79/1064282379.db2.gz YNDYBGJROAREJC-OAQYLSRUSA-N 2 0 459.683 2.833 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C ZINC001296166718 1064288483 /nfs/dbraw/zinc/28/84/83/1064288483.db2.gz OYZIHHZOXXBGFL-PMACEKPBSA-N 2 0 473.691 2.920 20 0 JFADRP CC[N@@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCC[NH+](CC(C)C)C2)C[C@H]1C ZINC001296173695 1064297868 /nfs/dbraw/zinc/29/78/68/1064297868.db2.gz KCVVBAZKZZAYOO-LDVJMBRRSA-N 2 0 462.683 2.901 20 0 JFADRP CC[N@@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCC[NH+](CC(C)C)C2)C[C@@H]1C ZINC001296173697 1064297944 /nfs/dbraw/zinc/29/79/44/1064297944.db2.gz KCVVBAZKZZAYOO-MLCQCVOFSA-N 2 0 462.683 2.901 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001296175002 1064303503 /nfs/dbraw/zinc/30/35/03/1064303503.db2.gz URYXLUKGKVGWDR-YADHBBJMSA-N 2 0 486.661 2.753 20 0 JFADRP CC[N@H+](CCn1c(-c2ccccn2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1)CCC(F)(F)F ZINC001296181314 1064315035 /nfs/dbraw/zinc/31/50/35/1064315035.db2.gz VPQGANCMQAXUEN-FQEVSTJZSA-N 2 0 494.610 2.831 20 0 JFADRP CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001296195212 1064359000 /nfs/dbraw/zinc/35/90/00/1064359000.db2.gz OVPDYVTWTAJBDJ-JOCHJYFZSA-N 2 0 499.704 2.766 20 0 JFADRP CCN1CC[NH+](CCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001296206439 1064395479 /nfs/dbraw/zinc/39/54/79/1064395479.db2.gz QXDYDXNJRGNALO-FGZHOGPDSA-N 2 0 499.704 2.909 20 0 JFADRP CCN1CC[NH+](CCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001296206438 1064395557 /nfs/dbraw/zinc/39/55/57/1064395557.db2.gz QXDYDXNJRGNALO-FCHUYYIVSA-N 2 0 499.704 2.909 20 0 JFADRP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001296211446 1064402592 /nfs/dbraw/zinc/40/25/92/1064402592.db2.gz YDRSFPTWSGBFBA-UHFFFAOYSA-N 2 0 458.628 2.767 20 0 JFADRP CCC(CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+](C)C ZINC001291954607 1064568495 /nfs/dbraw/zinc/56/84/95/1064568495.db2.gz VQTMLFJBPAXHEI-RTWAWAEBSA-N 2 0 468.650 2.966 20 0 JFADRP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001292124035 1064863966 /nfs/dbraw/zinc/86/39/66/1064863966.db2.gz DFMUNEHQJQKABT-UHFFFAOYSA-N 2 0 459.683 2.993 20 0 JFADRP CCc1ccccc1OCc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1C[C@H](C)[NH+](C)C ZINC001292614612 1065344936 /nfs/dbraw/zinc/34/49/36/1065344936.db2.gz GWCILQUONKDTBA-NRFANRHFSA-N 2 0 470.662 2.918 20 0 JFADRP CCN1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)CC2)CC1 ZINC001292649672 1065387034 /nfs/dbraw/zinc/38/70/34/1065387034.db2.gz CRIURHGBKFBINL-FQEVSTJZSA-N 2 0 459.654 2.951 20 0 JFADRP CCc1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001292894373 1065595905 /nfs/dbraw/zinc/59/59/05/1065595905.db2.gz XGNUJDGLIJFDTG-PIATZUFCSA-N 2 0 487.737 2.976 20 0 JFADRP CCc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001292961092 1065641020 /nfs/dbraw/zinc/64/10/20/1065641020.db2.gz SMKWOIFIIXCONN-ZRZAMGCNSA-N 2 0 475.726 2.584 20 0 JFADRP CCc1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1C[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC001292979824 1065662071 /nfs/dbraw/zinc/66/20/71/1065662071.db2.gz XUJQQXOUDPAJEB-VWLOTQADSA-N 2 0 489.753 2.972 20 0 JFADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)cc1 ZINC001293203495 1065831066 /nfs/dbraw/zinc/83/10/66/1065831066.db2.gz JOXSACLUFNZHJM-AHKZPQOWSA-N 2 0 451.611 2.824 20 0 JFADRP CC[C@@H]1CCCC[N@@H+]1CCn1c(C(C)C)nnc1N1CCN(C[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001293361396 1065965394 /nfs/dbraw/zinc/96/53/94/1065965394.db2.gz AGIGBFAVMXKWRB-DNQXCXABSA-N 2 0 475.726 2.897 20 0 JFADRP CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001293371478 1065974395 /nfs/dbraw/zinc/97/43/95/1065974395.db2.gz MKGJRKHCJQAASZ-NHCUHLMSSA-N 2 0 480.723 2.755 20 0 JFADRP CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001293374512 1065980356 /nfs/dbraw/zinc/98/03/56/1065980356.db2.gz VSFLUWHHCXMQMX-FDFHNCONSA-N 2 0 480.723 2.613 20 0 JFADRP CC[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC[N@@H+]1CCOC ZINC001293587780 1066095840 /nfs/dbraw/zinc/09/58/40/1066095840.db2.gz QSRGUGLFXUIPPQ-GMAHTHKFSA-N 2 0 492.709 2.956 20 0 JFADRP CC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC[N@@H+]1CCOC ZINC001293592701 1066098400 /nfs/dbraw/zinc/09/84/00/1066098400.db2.gz CVWYRDJZDHJFHG-MDNUFGMLSA-N 2 0 474.625 2.771 20 0 JFADRP CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC[NH+]2CCCC[C@@H]2C)CC[N@@H+]1CCOC ZINC001293593697 1066099515 /nfs/dbraw/zinc/09/95/15/1066099515.db2.gz FTCWAZAZUQNLRB-YTFSRNRJSA-N 2 0 462.683 2.984 20 0 JFADRP CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC[NH+]2CCCC[C@H]2C)CC[N@@H+]1CCOC ZINC001293593694 1066099701 /nfs/dbraw/zinc/09/97/01/1066099701.db2.gz FTCWAZAZUQNLRB-DNVJHFABSA-N 2 0 462.683 2.984 20 0 JFADRP CC[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC[NH+]2CCCC(C)(C)C2)CC[N@@H+]1CCOC ZINC001293623818 1066139408 /nfs/dbraw/zinc/13/94/08/1066139408.db2.gz UIFKORRBQWOGTG-HSZRJFAPSA-N 2 0 469.678 2.933 20 0 JFADRP CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2nnc(C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001293945630 1066437722 /nfs/dbraw/zinc/43/77/22/1066437722.db2.gz RDHACSSYXCKFDU-FYYLOGMGSA-N 2 0 482.677 2.715 20 0 JFADRP CCC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2C[C@]2([NH+](C)C)CCSC2)CC[N@@H+]1CCOC ZINC001294077436 1066546359 /nfs/dbraw/zinc/54/63/59/1066546359.db2.gz PFIBYCQWSTWTMS-AUSIDOKSSA-N 2 0 461.680 2.648 20 0 JFADRP C[N@@H+]1CCO[C@@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4=O)C[C@H]21 ZINC001164667820 719426930 /nfs/dbraw/zinc/42/69/30/719426930.db2.gz HIXZVKOQBKGMHB-WOJBJXKFSA-N 2 0 468.985 2.916 20 0 JFADRP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(N4CC[NH2+]CC4)cn3)CC2)c2ccccc21 ZINC001164681930 719674628 /nfs/dbraw/zinc/67/46/28/719674628.db2.gz OLTHYTSCQIRNQK-JOCHJYFZSA-N 2 0 476.669 2.585 20 0 JFADRP COc1cc2cc[nH+]c(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c2cc1OC ZINC001164716516 720184610 /nfs/dbraw/zinc/18/46/10/720184610.db2.gz GIJJLRANIAMYDF-FQEVSTJZSA-N 2 0 452.559 2.597 20 0 JFADRP COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC[C@H]2C1 ZINC001164857737 720892409 /nfs/dbraw/zinc/89/24/09/720892409.db2.gz JLIMTEIJESHXRZ-FXAWDEMLSA-N 2 0 456.965 2.830 20 0 JFADRP COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC[C@H]2C1 ZINC001164857740 720892417 /nfs/dbraw/zinc/89/24/17/720892417.db2.gz JLIMTEIJESHXRZ-PXNSSMCTSA-N 2 0 456.965 2.830 20 0 JFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)N4c4nccs4)C3)c2)CC1 ZINC001164899511 721495273 /nfs/dbraw/zinc/49/52/73/721495273.db2.gz KUFGAJJMHFHRFQ-NNMXDRDESA-N 2 0 480.642 2.777 20 0 JFADRP C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc4c(n2)CC[N@@H+](Cc2ccccc2)C4)CC3)CC1 ZINC001164794847 721511394 /nfs/dbraw/zinc/51/13/94/721511394.db2.gz XEHFNKYUOOOHTN-UHFFFAOYSA-N 2 0 457.626 2.604 20 0 JFADRP FC1(F)CCN(c2ccc(OCC3CC[NH2+]CC3)nn2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164913846 721732898 /nfs/dbraw/zinc/73/28/98/721732898.db2.gz YXZDJJIFJZGPAP-HSZRJFAPSA-N 2 0 458.557 2.988 20 0 JFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4OCC[C@H](C(=O)NCCc5ccncc5)[C@H]4C3)c2)CC1 ZINC001165012816 721754212 /nfs/dbraw/zinc/75/42/12/721754212.db2.gz HKCDOTADYQWMHM-GVAUOCQISA-N 2 0 479.625 2.540 20 0 JFADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(C)C)n3CC[NH+]3CCC[C@@H](C)C3)C[C@@H]2C)CC1 ZINC001286869915 1061263855 /nfs/dbraw/zinc/26/38/55/1061263855.db2.gz GQKXPWKBXIUUTK-FUPPJEDESA-N 2 0 459.683 2.512 20 0 JFADRP CC(=O)N1CCC[NH+]([C@H]2CN(c3nnc(C(C)(C)C)n3CCC[N@@H+](C)C(C)C)C[C@H]2C)CC1 ZINC001286871487 1061272956 /nfs/dbraw/zinc/27/29/56/1061272956.db2.gz OWEGEUNXBXUNJX-IRLDBZIGSA-N 2 0 461.699 2.685 20 0 JFADRP CCCC[N@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001294215086 1061723723 /nfs/dbraw/zinc/72/37/23/1061723723.db2.gz PXKCQPIGGCJKBY-IBGZPJMESA-N 2 0 490.722 2.809 20 0 JFADRP CCCC[N@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001294225790 1061738351 /nfs/dbraw/zinc/73/83/51/1061738351.db2.gz IBYGJFYYXAJATN-QHCPKHFHSA-N 2 0 475.726 2.899 20 0 JFADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CCCC(C)(C)C2)C1 ZINC001294453820 1061999473 /nfs/dbraw/zinc/99/94/73/1061999473.db2.gz HVYNDJDRBUNZSI-OAQYLSRUSA-N 2 0 459.683 2.804 20 0 JFADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCCCC2)C1 ZINC001294455289 1062001884 /nfs/dbraw/zinc/00/18/84/1062001884.db2.gz WDGDONYRGPETIQ-FQEVSTJZSA-N 2 0 454.623 2.579 20 0 JFADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCCCC2)C1 ZINC001294455290 1062001979 /nfs/dbraw/zinc/00/19/79/1062001979.db2.gz WDGDONYRGPETIQ-HXUWFJFHSA-N 2 0 454.623 2.579 20 0 JFADRP CCC[N@H+](CC)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC001294527089 1062063997 /nfs/dbraw/zinc/06/39/97/1062063997.db2.gz LUOFYSKWEUVNRR-RBUKOAKNSA-N 2 0 459.664 2.674 20 0 JFADRP CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(C)o3)nnc2N2CCN(C(=O)C[NH+](CC)CC)CC2)C1 ZINC001294646356 1062175212 /nfs/dbraw/zinc/17/52/12/1062175212.db2.gz KFEWTSLHGFCSGE-OAQYLSRUSA-N 2 0 471.650 2.569 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001294674290 1062233293 /nfs/dbraw/zinc/23/32/93/1062233293.db2.gz GCQROADFKYZSNT-UHFFFAOYSA-N 2 0 459.683 2.947 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc(C(=O)N3CCCC3)n2CC[N@H+](C)Cc2ccccc2)CC1 ZINC001294675146 1062235737 /nfs/dbraw/zinc/23/57/37/1062235737.db2.gz RZOIEGGDUUELBD-UHFFFAOYSA-N 2 0 467.662 2.957 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCCO3)n2C[C@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC001294693221 1062253107 /nfs/dbraw/zinc/25/31/07/1062253107.db2.gz OGRZNDQYFPKVFB-FYYLOGMGSA-N 2 0 461.699 2.714 20 0 JFADRP CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CC[NH+](CCOC)[C@H](C)C1 ZINC001294708355 1062274420 /nfs/dbraw/zinc/27/44/20/1062274420.db2.gz IMQYIGRNEOAHKN-FYYLOGMGSA-N 2 0 455.651 2.685 20 0 JFADRP Cc1cc(C)n(Cc2nnc(N3CC[NH+](CCc4cccs4)CC3)n2CC[N@@H+](C)C(C)C)n1 ZINC001290646506 1062537518 /nfs/dbraw/zinc/53/75/18/1062537518.db2.gz ICUWWWLSHCPZQP-UHFFFAOYSA-N 2 0 470.691 2.906 20 0 JFADRP CC(C)c1nnc(N2CCC(CCCO)CC2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001287197527 1062630243 /nfs/dbraw/zinc/63/02/43/1062630243.db2.gz USTVEEDIOIOPDE-UHFFFAOYSA-N 2 0 455.651 2.998 20 0 JFADRP Cc1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1Cc1ccccc1OCC[NH+](C)C ZINC001290736965 1062659082 /nfs/dbraw/zinc/65/90/82/1062659082.db2.gz AIEHRGMTWVLIAP-WIOPSUGQSA-N 2 0 480.661 2.828 20 0 JFADRP Cc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001290801326 1062705934 /nfs/dbraw/zinc/70/59/34/1062705934.db2.gz UEJURQLVYDUMFW-UHFFFAOYSA-N 2 0 484.649 2.687 20 0 JFADRP CC(C)C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC001287335709 1062814211 /nfs/dbraw/zinc/81/42/11/1062814211.db2.gz WMISWALZGQSHDJ-DNQXCXABSA-N 2 0 469.678 2.789 20 0 JFADRP CC(C)Cc1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1CC[NH+]1CC=CCC1 ZINC001287379656 1062834724 /nfs/dbraw/zinc/83/47/24/1062834724.db2.gz RJXAOAHEUVQAMG-XUZZJYLKSA-N 2 0 454.667 2.991 20 0 JFADRP CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001291012418 1062916045 /nfs/dbraw/zinc/91/60/45/1062916045.db2.gz ZCPLWIFALSSFML-XPWALMASSA-N 2 0 494.750 2.859 20 0 JFADRP CC[N@H+](C)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC001295127986 1062947756 /nfs/dbraw/zinc/94/77/56/1062947756.db2.gz YDODXOIJFHSQHV-QHCPKHFHSA-N 2 0 467.662 2.981 20 0 JFADRP CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001291068601 1063016916 /nfs/dbraw/zinc/01/69/16/1063016916.db2.gz QACBZBIHJIRERT-YOSAUDMPSA-N 2 0 480.723 2.658 20 0 JFADRP CC(C)C[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCCCCC2)CC1 ZINC001287740637 1063066243 /nfs/dbraw/zinc/06/62/43/1063066243.db2.gz HOBQSBCJUVTOKB-UHFFFAOYSA-N 2 0 454.623 2.579 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001295358321 1063314868 /nfs/dbraw/zinc/31/48/68/1063314868.db2.gz IKZBDGAUDPWXDX-WOJBJXKFSA-N 2 0 454.623 2.720 20 0 JFADRP CC[NH+](CC)[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001295358401 1063315248 /nfs/dbraw/zinc/31/52/48/1063315248.db2.gz JNGQTGZKAYQQST-QFIPXVFZSA-N 2 0 467.662 2.875 20 0 JFADRP CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001295364737 1063326585 /nfs/dbraw/zinc/32/65/85/1063326585.db2.gz HHLQMJIUZHSXLE-PMACEKPBSA-N 2 0 472.634 2.604 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001295366162 1063329369 /nfs/dbraw/zinc/32/93/69/1063329369.db2.gz NFSMQCUMCIHMTN-RBUKOAKNSA-N 2 0 462.664 2.609 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001295371007 1063336877 /nfs/dbraw/zinc/33/68/77/1063336877.db2.gz OFAMTJTWSHDFFZ-RTWAWAEBSA-N 2 0 456.635 2.843 20 0 JFADRP CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001295373609 1063341394 /nfs/dbraw/zinc/34/13/94/1063341394.db2.gz QJXMRFHAMPUBAF-VXKWHMMOSA-N 2 0 455.651 2.927 20 0 JFADRP CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001295390989 1063372911 /nfs/dbraw/zinc/37/29/11/1063372911.db2.gz CQUXGYINIMUNPN-JTHBVZDNSA-N 2 0 461.699 2.855 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001295471944 1063476921 /nfs/dbraw/zinc/47/69/21/1063476921.db2.gz HHRAHSSFSDFEGB-LEWJYISDSA-N 2 0 480.723 2.611 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001295472207 1063477709 /nfs/dbraw/zinc/47/77/09/1063477709.db2.gz JBKNSMKMTIQBOR-SFTDATJTSA-N 2 0 480.723 2.611 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001295474884 1063483936 /nfs/dbraw/zinc/48/39/36/1063483936.db2.gz ITBCYTPGCLQBJO-UHFFFAOYSA-N 2 0 471.675 2.842 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001295479643 1063488496 /nfs/dbraw/zinc/48/84/96/1063488496.db2.gz HHTHWQPHDDGNSK-OAQYLSRUSA-N 2 0 461.699 2.831 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001295482248 1063497925 /nfs/dbraw/zinc/49/79/25/1063497925.db2.gz HAAXRJYWVIUCJB-AREMUKBSSA-N 2 0 499.729 2.681 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001295482600 1063502730 /nfs/dbraw/zinc/50/27/30/1063502730.db2.gz URYPQQYGCPPPOX-AJTFRIOCSA-N 2 0 496.704 2.841 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001295490624 1063517294 /nfs/dbraw/zinc/51/72/94/1063517294.db2.gz BKBOTNJZVUCOPO-QFIPXVFZSA-N 2 0 487.718 2.795 20 0 JFADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001295502140 1063535900 /nfs/dbraw/zinc/53/59/00/1063535900.db2.gz ARWXZMPTBZREAE-SFTDATJTSA-N 2 0 468.650 2.968 20 0 JFADRP CC[NH+](CC)Cc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001295502330 1063536436 /nfs/dbraw/zinc/53/64/36/1063536436.db2.gz CVPLHUYUJRRICF-NRFANRHFSA-N 2 0 467.662 2.821 20 0 JFADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001295502661 1063536993 /nfs/dbraw/zinc/53/69/93/1063536993.db2.gz GUGPZURPVYLQQA-NRFANRHFSA-N 2 0 459.683 2.947 20 0 JFADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001295523745 1063561058 /nfs/dbraw/zinc/56/10/58/1063561058.db2.gz YOHYKLUMDCFVJI-SFTDATJTSA-N 2 0 459.683 2.689 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001295567740 1063601814 /nfs/dbraw/zinc/60/18/14/1063601814.db2.gz IVKIQSCVOGVFIX-OAQYLSRUSA-N 2 0 455.651 2.543 20 0 JFADRP C[C@@H]1C[N@@H+](CCCn2c(CC(C)(C)C)nnc2N2CCC[NH+](Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC001291292565 1063675933 /nfs/dbraw/zinc/67/59/33/1063675933.db2.gz GHLFFOPATOYWEZ-SZPZYZBQSA-N 2 0 486.709 2.812 20 0 JFADRP CC[N@H+](CCn1c(C2CC2)nnc1N1C[C@H]([NH+]2CCCN(C(C)=O)CC2)[C@@H](C)C1)CCC(F)(F)F ZINC001295846344 1063868274 /nfs/dbraw/zinc/86/82/74/1063868274.db2.gz RPGLCDKIUUWFBI-RXVVDRJESA-N 2 0 499.626 2.809 20 0 JFADRP CC[N@H+](CCn1c(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)nnc1C(C)(C)C)CCC(F)(F)F ZINC001295868223 1063904401 /nfs/dbraw/zinc/90/44/01/1063904401.db2.gz GLLKTUPVAKSNEW-SFHVURJKSA-N 2 0 487.615 2.593 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C[C@H]1C ZINC001295976267 1064022153 /nfs/dbraw/zinc/02/21/53/1064022153.db2.gz HFBQOMJOAKEVTP-XQBPLPMBSA-N 2 0 471.625 2.875 20 0 JFADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC001295976628 1064022565 /nfs/dbraw/zinc/02/25/65/1064022565.db2.gz HUINMYASCDUKKX-DHIUTWEWSA-N 2 0 496.704 2.548 20 0 JFADRP CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C ZINC001295978347 1064025513 /nfs/dbraw/zinc/02/55/13/1064025513.db2.gz RQMIINPXRAWSBY-IRFCIJBXSA-N 2 0 474.675 2.752 20 0 JFADRP CC[N@H+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[NH+](CC)C[C@H]1C)C1CC1 ZINC001295978775 1064026443 /nfs/dbraw/zinc/02/64/43/1064026443.db2.gz SWDNMLXXXXYATM-RBUKOAKNSA-N 2 0 474.675 2.752 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCC[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001295982017 1064032699 /nfs/dbraw/zinc/03/26/99/1064032699.db2.gz VZHURBVXKRREFH-FSSWDIPSSA-N 2 0 459.683 2.945 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001295981825 1064033219 /nfs/dbraw/zinc/03/32/19/1064033219.db2.gz BHEDQHXMGAZUQD-PMACEKPBSA-N 2 0 486.661 2.992 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC001295983174 1064038362 /nfs/dbraw/zinc/03/83/62/1064038362.db2.gz YOMJFHCIJOADGG-ZRBLBEILSA-N 2 0 496.704 2.546 20 0 JFADRP CC[C@H](C)c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001291502305 1064052782 /nfs/dbraw/zinc/05/27/82/1064052782.db2.gz FGMJORGZYADKFI-WMZHIEFXSA-N 2 0 450.697 2.778 20 0 JFADRP CC[C@H](C)c1nnc(N2CCC(CNC(C)=O)CC2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001291504869 1064056572 /nfs/dbraw/zinc/05/65/72/1064056572.db2.gz YVNXTUXREXGPAM-NRFANRHFSA-N 2 0 482.677 2.751 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)[NH+](C)C2CC2)C[C@@H]1C ZINC001296010434 1064068414 /nfs/dbraw/zinc/06/84/14/1064068414.db2.gz LDIKUNUOKFLBDO-SQNIBIBYSA-N 2 0 459.664 2.671 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2C[C@](C)(O)C(C)C)C[C@@H]1C ZINC001296011895 1064072209 /nfs/dbraw/zinc/07/22/09/1064072209.db2.gz XGRMLDOKCAIRNO-QONNDPFASA-N 2 0 497.732 2.969 20 0 JFADRP CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001296059434 1064122266 /nfs/dbraw/zinc/12/22/66/1064122266.db2.gz FQDMCGHGRPKBCJ-OAQYLSRUSA-N 2 0 474.675 2.800 20 0 JFADRP CC[N@@H+]1CCC[C@@H]1Cn1c(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)nnc1C(C)(C)C ZINC001296076222 1064144409 /nfs/dbraw/zinc/14/44/09/1064144409.db2.gz UGXPOLRYGPXQSU-JOCHJYFZSA-N 2 0 473.710 2.878 20 0 JFADRP CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CC[NH+](CCOC)[C@H](C)C1 ZINC001296084737 1064152281 /nfs/dbraw/zinc/15/22/81/1064152281.db2.gz ODVHCOQIHYBDHJ-RTWAWAEBSA-N 2 0 456.635 2.985 20 0 JFADRP CC[C@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001291620519 1064159883 /nfs/dbraw/zinc/15/98/83/1064159883.db2.gz JWCKOQONOFTNBH-SFYKDHMMSA-N 2 0 450.697 2.918 20 0 JFADRP CC[C@@H](C)c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001291630161 1064175361 /nfs/dbraw/zinc/17/53/61/1064175361.db2.gz RPMGCXYKMQHORV-FGZHOGPDSA-N 3 0 454.667 2.929 20 0 JFADRP CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC001296123593 1064216157 /nfs/dbraw/zinc/21/61/57/1064216157.db2.gz CABJSKQTNGHUIF-QFIPXVFZSA-N 2 0 468.694 2.923 20 0 JFADRP CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccn3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001296125068 1064217892 /nfs/dbraw/zinc/21/78/92/1064217892.db2.gz KXZOGEONKXYMIY-QFIPXVFZSA-N 2 0 468.694 2.924 20 0 JFADRP CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC001296130963 1064224475 /nfs/dbraw/zinc/22/44/75/1064224475.db2.gz GXYQPKXXIQGINZ-RTWAWAEBSA-N 2 0 457.642 2.564 20 0 JFADRP CC[C@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001291762597 1064243709 /nfs/dbraw/zinc/24/37/09/1064243709.db2.gz YXOLBMRMNDIEAU-PMACEKPBSA-N 2 0 454.623 2.720 20 0 JFADRP CC[C@@H](C)[N@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001291766677 1064247957 /nfs/dbraw/zinc/24/79/57/1064247957.db2.gz DYLLLMPHPFGVFX-RTWAWAEBSA-N 2 0 456.635 2.985 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001296142656 1064250620 /nfs/dbraw/zinc/25/06/20/1064250620.db2.gz FDHFELQJJBRYEY-ZCNNSNEGSA-N 2 0 454.623 2.576 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[NH+]2CC=CCC2)C[C@H]1C ZINC001296143256 1064251882 /nfs/dbraw/zinc/25/18/82/1064251882.db2.gz HCTKDSUBPSIDMC-LJQANCHMSA-N 2 0 472.037 2.654 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3cccc(Br)c3)n2CC[NH+](C)CCOC)C[C@@H]1C ZINC001296144852 1064254315 /nfs/dbraw/zinc/25/43/15/1064254315.db2.gz WZNTVVOLNCOPOE-KRWDZBQOSA-N 2 0 465.440 2.816 20 0 JFADRP CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001291771511 1064254577 /nfs/dbraw/zinc/25/45/77/1064254577.db2.gz GKNIIUQTJYMCLO-NNWRFLSQSA-N 2 0 453.635 2.670 20 0 JFADRP CC[C@H](C)[N@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001291772453 1064255822 /nfs/dbraw/zinc/25/58/22/1064255822.db2.gz ONYJFHZVVMKJNM-IBGZPJMESA-N 2 0 480.661 2.889 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[NH+]2CCCO[C@@H](C)C2)C[C@@H]1C ZINC001296148613 1064260714 /nfs/dbraw/zinc/26/07/14/1064260714.db2.gz AEVXXAFVMKBNHK-SFTDATJTSA-N 2 0 486.661 2.994 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001296148727 1064260889 /nfs/dbraw/zinc/26/08/89/1064260889.db2.gz ZUIWDRGCPDWHKZ-REWPJTCUSA-N 2 0 456.635 2.841 20 0 JFADRP CC[C@@H](C)[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC001291774665 1064263111 /nfs/dbraw/zinc/26/31/11/1064263111.db2.gz QBXLQCUTAUTNEX-IFMALSPDSA-N 2 0 458.655 2.696 20 0 JFADRP CC[C@H](C)[N@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001291782421 1064271163 /nfs/dbraw/zinc/27/11/63/1064271163.db2.gz OVQAGZXWANOFFS-GMAHTHKFSA-N 2 0 455.651 2.543 20 0 JFADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)[NH+](C)C)C[C@H]1C ZINC001296160811 1064274827 /nfs/dbraw/zinc/27/48/27/1064274827.db2.gz PMHJJDXILVICBZ-VAMGGRTRSA-N 2 0 463.671 2.873 20 0 JFADRP CC[C@H](C)[N@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+]2CCCC[C@H]2C1 ZINC001291783415 1064276308 /nfs/dbraw/zinc/27/63/08/1064276308.db2.gz LHQSFXNWECAYAK-OALUTQOASA-N 2 0 459.664 2.674 20 0 JFADRP CC[C@H](C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001291785917 1064282232 /nfs/dbraw/zinc/28/22/32/1064282232.db2.gz YNDYBGJROAREJC-NRFANRHFSA-N 2 0 459.683 2.833 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001296167112 1064289090 /nfs/dbraw/zinc/28/90/90/1064289090.db2.gz QRXZWNCVGZZFPG-VQTJNVASSA-N 2 0 473.691 2.922 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(OCC[NH+](C)C)c2)C[C@@H]1C ZINC001296167346 1064290035 /nfs/dbraw/zinc/29/00/35/1064290035.db2.gz GLBDPLFOMXVULX-NRFANRHFSA-N 2 0 463.630 2.783 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(Cc2ccsc2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001296182382 1064323393 /nfs/dbraw/zinc/32/33/93/1064323393.db2.gz RINFQFPNCQGUMX-IRLDBZIGSA-N 2 0 459.708 2.877 20 0 JFADRP CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001296183532 1064328980 /nfs/dbraw/zinc/32/89/80/1064328980.db2.gz FAVJTJAIBYNBAV-JOCHJYFZSA-N 2 0 499.704 2.766 20 0 JFADRP CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001296195661 1064362480 /nfs/dbraw/zinc/36/24/80/1064362480.db2.gz WXWZCXUVRKBLFF-GOTSBHOMSA-N 2 0 461.699 2.714 20 0 JFADRP CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001296195658 1064362555 /nfs/dbraw/zinc/36/25/55/1064362555.db2.gz WXWZCXUVRKBLFF-DHIUTWEWSA-N 2 0 461.699 2.714 20 0 JFADRP CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccn3C)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001296196243 1064365676 /nfs/dbraw/zinc/36/56/76/1064365676.db2.gz TUWBOHGDDCCTDC-QFIPXVFZSA-N 2 0 470.710 2.868 20 0 JFADRP CC[C@@H](c1nnc(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)n1CC[N@H+](C)C(C)C)c1ccccc1 ZINC001291888803 1064512844 /nfs/dbraw/zinc/51/28/44/1064512844.db2.gz RGLZEQDUZHZWFK-DNQXCXABSA-N 2 0 481.689 2.903 20 0 JFADRP Cc1cccc(N2CC[NH+](CCC(=O)NCc3ccccc3C[N@@H+]3CCC[C@H]3CO)CC2)c1 ZINC001296281099 1064552190 /nfs/dbraw/zinc/55/21/90/1064552190.db2.gz SNZYQWAFQCTPJI-SANMLTNESA-N 2 0 450.627 2.780 20 0 JFADRP CCC(CC)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([NH2+]C(C)C)CC1)[NH+](C)C ZINC001291966631 1064580829 /nfs/dbraw/zinc/58/08/29/1064580829.db2.gz CSIXFAOUGBKLIU-TZIWHRDSSA-N 2 0 468.712 2.513 20 0 JFADRP CCC(CC)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([NH2+]C(C)C)CC1)[NH+](C)C ZINC001291966630 1064580865 /nfs/dbraw/zinc/58/08/65/1064580865.db2.gz CSIXFAOUGBKLIU-PZJWPPBQSA-N 2 0 468.712 2.513 20 0 JFADRP CCC(CC)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC001291967944 1064583579 /nfs/dbraw/zinc/58/35/79/1064583579.db2.gz NSIOWXAWWBGTFZ-XKCSPQBFSA-N 2 0 462.683 2.838 20 0 JFADRP CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CC[NH+]1CCCCC1 ZINC001292125938 1064873143 /nfs/dbraw/zinc/87/31/43/1064873143.db2.gz NBUWGGUFCGWWHO-HXUWFJFHSA-N 2 0 459.683 2.993 20 0 JFADRP CCc1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1CCC[NH+]1CCCO[C@H](C)C1 ZINC001292867452 1065580273 /nfs/dbraw/zinc/58/02/73/1065580273.db2.gz KLJDYWYYFKEYQE-ZFGGDYGUSA-N 2 0 472.682 2.594 20 0 JFADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001292958988 1065636850 /nfs/dbraw/zinc/63/68/50/1065636850.db2.gz SGFHXUANLCVCGV-DHIUTWEWSA-N 2 0 455.672 2.843 20 0 JFADRP CCc1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001292993645 1065681258 /nfs/dbraw/zinc/68/12/58/1065681258.db2.gz FZTJVGLELJCVPW-NHCUHLMSSA-N 2 0 462.683 2.810 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1 ZINC001293082718 1065732320 /nfs/dbraw/zinc/73/23/20/1065732320.db2.gz SRRGPWMDOCZQOU-LOSJGSFVSA-N 2 0 454.659 2.937 20 0 JFADRP CC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCC[NH+]2CC)CC[N@@H+]1CCOC ZINC001293538954 1066056753 /nfs/dbraw/zinc/05/67/53/1066056753.db2.gz HLGMUFDOJWHDFD-FGZHOGPDSA-N 2 0 456.635 2.985 20 0 JFADRP CC[C@H]1CN(c2nnc(-c3ccccc3)n2C[C@]2([NH+](C)C)CCSC2)CC[N@@H+]1CCOC ZINC001293562581 1066075835 /nfs/dbraw/zinc/07/58/35/1066075835.db2.gz VFGWTTFEQOXRRS-XUZZJYLKSA-N 2 0 458.676 2.929 20 0 JFADRP CC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC[N@@H+]1CCOC ZINC001293587778 1066095629 /nfs/dbraw/zinc/09/56/29/1066095629.db2.gz QSRGUGLFXUIPPQ-GGAORHGYSA-N 2 0 492.709 2.956 20 0 JFADRP CC[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC[N@@H+]1CCOC ZINC001293587785 1066095815 /nfs/dbraw/zinc/09/58/15/1066095815.db2.gz QSRGUGLFXUIPPQ-JTHBVZDNSA-N 2 0 492.709 2.956 20 0 JFADRP CC[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC[NH+]2CCC(C)CC2)CC[N@@H+]1CCOC ZINC001293592612 1066098232 /nfs/dbraw/zinc/09/82/32/1066098232.db2.gz BVDBJTSNKUKMJC-GOTSBHOMSA-N 2 0 462.683 2.841 20 0 JFADRP CC[C@H]1CN(c2nnc(Cc3ccncc3)n2CC[NH+]2CCCC(C)(C)C2)CC[N@@H+]1CCOC ZINC001293623819 1066140074 /nfs/dbraw/zinc/14/00/74/1066140074.db2.gz UIFKORRBQWOGTG-QHCPKHFHSA-N 2 0 469.678 2.933 20 0 JFADRP CC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[NH+](C(C)C)C2)CC[N@@H+]1CCOC ZINC001293635127 1066150726 /nfs/dbraw/zinc/15/07/26/1066150726.db2.gz LFXPMQUTYLNNSI-DNQXCXABSA-N 2 0 486.709 2.807 20 0 JFADRP O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC[C@@H]4[NH2+]CCO[C@H]4C3)c21 ZINC001164389565 718824219 /nfs/dbraw/zinc/82/42/19/718824219.db2.gz IQVQGPFTJSZOQC-PMACEKPBSA-N 2 0 468.985 2.964 20 0 JFADRP COC(=O)[C@H]1C[NH2+]CCN1c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001164629734 719135622 /nfs/dbraw/zinc/13/56/22/719135622.db2.gz CWFPPGYRYRAPEI-HXUWFJFHSA-N 2 0 456.974 2.708 20 0 JFADRP CC(C)N(c1ncccc1C[NH+]1CCCC1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001164681845 719687521 /nfs/dbraw/zinc/68/75/21/719687521.db2.gz AIYGUHIUGMWVAB-UHFFFAOYSA-N 2 0 451.619 2.539 20 0 JFADRP CCc1cc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc(N2CCOCC2)[nH+]1 ZINC001164714765 720128118 /nfs/dbraw/zinc/12/81/18/720128118.db2.gz YPJGUWOSLIUKMK-HSZRJFAPSA-N 2 0 466.630 2.778 20 0 JFADRP Clc1nc2c(c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)CC[NH2+]C2 ZINC001164748537 720877269 /nfs/dbraw/zinc/87/72/69/720877269.db2.gz FVGSFQRPCMLSQT-CJFMBICVSA-N 2 0 469.033 2.926 20 0 JFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)N4c4nccs4)C3)c2)CC1 ZINC001164899759 721495505 /nfs/dbraw/zinc/49/55/05/721495505.db2.gz KUFGAJJMHFHRFQ-XQBPLPMBSA-N 2 0 480.642 2.777 20 0 JFADRP CC(C)CN(c1cccc(N2CC[NH+](C)CC2)n1)c1nc2c(cc1C(=O)N1CCCC1)CC[NH2+]CC2 ZINC001164968121 722078627 /nfs/dbraw/zinc/07/86/27/722078627.db2.gz RIPXKTWJMDEYDP-UHFFFAOYSA-N 2 0 491.684 2.947 20 0 JFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@H]4C(=O)N(Cc5cccc(F)c5)CCO[C@H]4C3)c2)CC1 ZINC001164970351 722082510 /nfs/dbraw/zinc/08/25/10/722082510.db2.gz WUXGYAAEPUKXIS-RPWUZVMVSA-N 2 0 468.573 2.948 20 0 JFADRP CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CC3([NH+](C)C)CCC3)C[C@@H]2C)CC1 ZINC001286868464 1061257194 /nfs/dbraw/zinc/25/71/94/1061257194.db2.gz AHWAWGBGQXQWCJ-UNMCSNQZSA-N 2 0 473.710 2.730 20 0 JFADRP CCCC[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[NH+](Cc2ccccc2)CC1 ZINC001294210074 1061713715 /nfs/dbraw/zinc/71/37/15/1061713715.db2.gz GKTWQBFWRJKSJQ-UHFFFAOYSA-N 2 0 467.662 2.958 20 0 JFADRP COc1ccc([C@@H](CNC(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)[NH+]2CCCC2)cc1 ZINC001290006137 1061731471 /nfs/dbraw/zinc/73/14/71/1061731471.db2.gz TWIFLUPEQBYVKK-HSZRJFAPSA-N 2 0 451.571 2.879 20 0 JFADRP CC(C)(C)c1nnc(N2CCN(CC(F)(F)F)CC2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001287008656 1061935014 /nfs/dbraw/zinc/93/50/14/1061935014.db2.gz CBMZSSJCNSISHN-UHFFFAOYSA-N 2 0 494.610 2.867 20 0 JFADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@]2(O)CC[NH+](C)C2)C1 ZINC001294460566 1062008367 /nfs/dbraw/zinc/00/83/67/1062008367.db2.gz GSGSQUPXRMOHQI-FDDCHVKYSA-N 2 0 491.478 2.942 20 0 JFADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@]2(O)CC[NH+](C)C2)C1 ZINC001294460568 1062008551 /nfs/dbraw/zinc/00/85/51/1062008551.db2.gz GSGSQUPXRMOHQI-MBSDFSHPSA-N 2 0 491.478 2.942 20 0 JFADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001294463037 1062013363 /nfs/dbraw/zinc/01/33/63/1062013363.db2.gz NSGFSICFUWTCME-JTHBVZDNSA-N 2 0 455.651 2.865 20 0 JFADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccnc3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001294464825 1062014352 /nfs/dbraw/zinc/01/43/52/1062014352.db2.gz XTKFNLFIXZOREN-OAQYLSRUSA-N 2 0 455.651 2.744 20 0 JFADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001294467545 1062016354 /nfs/dbraw/zinc/01/63/54/1062016354.db2.gz GUSUQKFCJMXGFB-NHCUHLMSSA-N 2 0 469.682 2.570 20 0 JFADRP CCC[N@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[NH+](Cc2ccccc2)CC1 ZINC001294506127 1062042844 /nfs/dbraw/zinc/04/28/44/1062042844.db2.gz QEPUGJQWBOFRRH-UHFFFAOYSA-N 2 0 467.662 2.958 20 0 JFADRP CCC[N@@H+]1CC[C@H](Cn2c(N3CCN(C[C@@H]4C[NH+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)C1 ZINC001294668772 1062224448 /nfs/dbraw/zinc/22/44/48/1062224448.db2.gz CMQBTBBZTQYQCK-XZOQPEGZSA-N 2 0 475.726 2.539 20 0 JFADRP CCC[N@@H+]1CC[C@@H](Cn2c(N3CCC[NH+](C(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001294669303 1062225418 /nfs/dbraw/zinc/22/54/18/1062225418.db2.gz HHVIUWBLQRTRKQ-RDGATRHJSA-N 2 0 462.683 2.971 20 0 JFADRP CCC[N@@H+]1CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[NH+](CC)[C@H](C)C2)C1 ZINC001294671446 1062229912 /nfs/dbraw/zinc/22/99/12/1062229912.db2.gz WRIBJXRXJRBKST-RTBURBONSA-N 2 0 459.664 2.532 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001294675603 1062236943 /nfs/dbraw/zinc/23/69/43/1062236943.db2.gz LBHLXVGCDPFAMK-UQBPGWFLSA-N 2 0 474.625 2.934 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001294688414 1062248663 /nfs/dbraw/zinc/24/86/63/1062248663.db2.gz YMWKPTSLRDBMMZ-XMMPIXPASA-N 2 0 461.054 2.900 20 0 JFADRP CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001294708360 1062274253 /nfs/dbraw/zinc/27/42/53/1062274253.db2.gz IMQYIGRNEOAHKN-GMAHTHKFSA-N 2 0 455.651 2.685 20 0 JFADRP CC(C)c1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1CC[NH+]1CCCCC1 ZINC001287194646 1062624276 /nfs/dbraw/zinc/62/42/76/1062624276.db2.gz PHOIZOLYNRIYGS-UHFFFAOYSA-N 2 0 459.683 2.706 20 0 JFADRP CC(C)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1Cc1ccccc1OCC[NH+](C)C ZINC001287213447 1062671729 /nfs/dbraw/zinc/67/17/29/1062671729.db2.gz HCROJQXMJFCKLJ-JOCHJYFZSA-N 2 0 470.662 2.939 20 0 JFADRP Cc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001290769731 1062685316 /nfs/dbraw/zinc/68/53/16/1062685316.db2.gz KYGBCFNXTHOLEX-JOCHJYFZSA-N 2 0 459.683 2.525 20 0 JFADRP CC(C)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287220414 1062704812 /nfs/dbraw/zinc/70/48/12/1062704812.db2.gz VTCPNGZIBQCTMS-QFIPXVFZSA-N 2 0 459.683 2.799 20 0 JFADRP CC(C)C[C@H](Cn1c(Cc2cccnc2)nnc1N1CC[NH+](C2CCOCC2)CC1)[NH+](C)C ZINC001287334329 1062811654 /nfs/dbraw/zinc/81/16/54/1062811654.db2.gz QYHPANDOMULCIK-HSZRJFAPSA-N 2 0 455.651 2.541 20 0 JFADRP CC(C)C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CC2CCCCC2)CC1)[NH+](C)C ZINC001287334556 1062812114 /nfs/dbraw/zinc/81/21/14/1062812114.db2.gz XOQJQRCCNYNIDV-FGZHOGPDSA-N 2 0 459.683 2.908 20 0 JFADRP CC(C)Cc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001287414422 1062853827 /nfs/dbraw/zinc/85/38/27/1062853827.db2.gz ZBCXQNSHZNVTQT-SZPZYZBQSA-N 2 0 476.710 2.913 20 0 JFADRP CC(C)[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001291002331 1062898961 /nfs/dbraw/zinc/89/89/61/1062898961.db2.gz ULNQRFOIQJKMKT-OYRHEFFESA-N 2 0 459.683 2.687 20 0 JFADRP CC(C)[N@@H+]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC[NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001291012420 1062916403 /nfs/dbraw/zinc/91/64/03/1062916403.db2.gz ZCPLWIFALSSFML-ZRBLBEILSA-N 2 0 494.750 2.859 20 0 JFADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001291012675 1062917970 /nfs/dbraw/zinc/91/79/70/1062917970.db2.gz CSYGCCWINNECQV-NJYVYQBISA-N 2 0 497.754 2.567 20 0 JFADRP CC(C)Cc1nnc(N2CCO[C@@H](C(C)C)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001287486041 1062942187 /nfs/dbraw/zinc/94/21/87/1062942187.db2.gz BVMNUEHIIYSZSP-HSZRJFAPSA-N 2 0 455.651 2.945 20 0 JFADRP CC(C)CC[NH+]1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001287629046 1063009645 /nfs/dbraw/zinc/00/96/45/1063009645.db2.gz IEJXIGUEHYYBSH-FQEVSTJZSA-N 2 0 497.754 2.567 20 0 JFADRP CC(C)[N@@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001291066538 1063012509 /nfs/dbraw/zinc/01/25/09/1063012509.db2.gz PCQSCJCMGSUBJH-BWKNWUBXSA-N 2 0 459.683 2.945 20 0 JFADRP CC(C)CN(c1nnc(C(=O)N2CCCC2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC001287691435 1063039655 /nfs/dbraw/zinc/03/96/55/1063039655.db2.gz KQDHJLPHHICHGY-UHFFFAOYSA-N 2 0 482.677 2.992 20 0 JFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001291096707 1063058114 /nfs/dbraw/zinc/05/81/14/1063058114.db2.gz JFJLBBGFRZBZJI-QHAWAJNXSA-N 2 0 459.683 2.908 20 0 JFADRP CC(C)[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001291142932 1063220520 /nfs/dbraw/zinc/22/05/20/1063220520.db2.gz OJUOYNUVWOGWCD-NRFANRHFSA-N 2 0 488.702 2.999 20 0 JFADRP CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001295358313 1063314829 /nfs/dbraw/zinc/31/48/29/1063314829.db2.gz IKZBDGAUDPWXDX-PMACEKPBSA-N 2 0 454.623 2.720 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(N2CC[NH+](C(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001295389663 1063367132 /nfs/dbraw/zinc/36/71/32/1063367132.db2.gz FSVUEAOHBSHJDB-HYBUGGRVSA-N 2 0 450.672 2.970 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(N2CC[NH+](C(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001295389665 1063367332 /nfs/dbraw/zinc/36/73/32/1063367332.db2.gz FSVUEAOHBSHJDB-YKSBVNFPSA-N 2 0 450.672 2.970 20 0 JFADRP CC[NH+](CC)[C@@H](C)Cn1c(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001295390303 1063369506 /nfs/dbraw/zinc/36/95/06/1063369506.db2.gz NICRYVIDMPGTLD-MCEYFSPLSA-N 2 0 492.709 2.739 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001295472206 1063477677 /nfs/dbraw/zinc/47/76/77/1063477677.db2.gz JBKNSMKMTIQBOR-RTWAWAEBSA-N 2 0 480.723 2.611 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001295474769 1063483150 /nfs/dbraw/zinc/48/31/50/1063483150.db2.gz GZRHEUYPRZZVJU-SANMLTNESA-N 2 0 470.662 2.851 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001295482299 1063499076 /nfs/dbraw/zinc/49/90/76/1063499076.db2.gz IWYARZJLDRHPMI-UHFFFAOYSA-N 2 0 471.650 2.711 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001295483810 1063508999 /nfs/dbraw/zinc/50/89/99/1063508999.db2.gz IMAXMRSTEIUNQV-XZOQPEGZSA-N 2 0 489.709 2.631 20 0 JFADRP CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001295502139 1063535742 /nfs/dbraw/zinc/53/57/42/1063535742.db2.gz ARWXZMPTBZREAE-RTWAWAEBSA-N 2 0 468.650 2.968 20 0 JFADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001295516331 1063552039 /nfs/dbraw/zinc/55/20/39/1063552039.db2.gz KYWSQKIZBIOIPB-VXKWHMMOSA-N 2 0 453.635 2.507 20 0 JFADRP CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001295516330 1063552106 /nfs/dbraw/zinc/55/21/06/1063552106.db2.gz KYWSQKIZBIOIPB-FGZHOGPDSA-N 2 0 453.635 2.507 20 0 JFADRP CC[NH+](CC)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001295533896 1063571020 /nfs/dbraw/zinc/57/10/20/1063571020.db2.gz HMTRKSCEUAPVJF-FCHUYYIVSA-N 2 0 459.683 2.909 20 0 JFADRP CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001291292029 1063673464 /nfs/dbraw/zinc/67/34/64/1063673464.db2.gz XVUNTLHFZLFDCX-NHCUHLMSSA-N 2 0 472.682 2.735 20 0 JFADRP CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001291292031 1063673557 /nfs/dbraw/zinc/67/35/57/1063673557.db2.gz XVUNTLHFZLFDCX-SFTDATJTSA-N 2 0 472.682 2.735 20 0 JFADRP C[C@H]1C[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCC[N@H+](Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC001291292566 1063677061 /nfs/dbraw/zinc/67/70/61/1063677061.db2.gz GHLFFOPATOYWEZ-VXKWHMMOSA-N 2 0 486.709 2.812 20 0 JFADRP CC[N@H+](CCn1c(-c2cccn2C)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)C(C)C ZINC001295836595 1063853130 /nfs/dbraw/zinc/85/31/30/1063853130.db2.gz BLWJXKHHVLYYMI-QFIPXVFZSA-N 2 0 456.683 2.619 20 0 JFADRP CC[N@H+](CCn1c(-c2cccn2C)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)C(C)C ZINC001295836594 1063853286 /nfs/dbraw/zinc/85/32/86/1063853286.db2.gz BLWJXKHHVLYYMI-JOCHJYFZSA-N 2 0 456.683 2.619 20 0 JFADRP CC[N@H+](CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](CC)[C@H](C)C1)C(C)C ZINC001295856469 1063886842 /nfs/dbraw/zinc/88/68/42/1063886842.db2.gz MDRGRDIUUDPKQK-NHCUHLMSSA-N 2 0 493.697 2.847 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCCC(C)(C)C2)C[C@H]1C ZINC001295975793 1064020200 /nfs/dbraw/zinc/02/02/00/1064020200.db2.gz FDGZERBSORPMMC-UXHICEINSA-N 2 0 468.650 2.966 20 0 JFADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001295975794 1064020337 /nfs/dbraw/zinc/02/03/37/1064020337.db2.gz FDGZERBSORPMMC-VQTJNVASSA-N 2 0 468.650 2.966 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)[NH+](C)C2CC2)C[C@@H]1C ZINC001295979649 1064028111 /nfs/dbraw/zinc/02/81/11/1064028111.db2.gz WVJJYVQECSSSMA-QYZOEREBSA-N 2 0 474.675 2.750 20 0 JFADRP CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001291471085 1064032909 /nfs/dbraw/zinc/03/29/09/1064032909.db2.gz YVLQUVHDBVEFBG-HOUBMWHVSA-N 2 0 473.710 2.902 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001295982510 1064035645 /nfs/dbraw/zinc/03/56/45/1064035645.db2.gz UGFFEHVDZNRGCF-YOEKFXIASA-N 2 0 450.672 2.968 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@H](C)[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC001295983172 1064038063 /nfs/dbraw/zinc/03/80/63/1064038063.db2.gz YOMJFHCIJOADGG-VJBWXMMDSA-N 2 0 496.704 2.546 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001295990102 1064044916 /nfs/dbraw/zinc/04/49/16/1064044916.db2.gz DVFVJCFEEYLBES-PMACEKPBSA-N 2 0 456.635 2.719 20 0 JFADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3OC)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001295990107 1064045023 /nfs/dbraw/zinc/04/50/23/1064045023.db2.gz DVFVJCFEEYLBES-VQTJNVASSA-N 2 0 456.635 2.719 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCCO3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC001295998065 1064054702 /nfs/dbraw/zinc/05/47/02/1064054702.db2.gz SQJXVIAMZJREJX-FUDKSRODSA-N 2 0 461.699 2.712 20 0 JFADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccc(F)cc3)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001296002968 1064057916 /nfs/dbraw/zinc/05/79/16/1064057916.db2.gz PDHORRDYOMNKLF-VQTJNVASSA-N 2 0 458.626 2.774 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2CC[NH+]2CCSCC2)C[C@@H]1C ZINC001296010351 1064068102 /nfs/dbraw/zinc/06/81/02/1064068102.db2.gz BIOUQXKKSRWIGD-OALUTQOASA-N 2 0 462.639 2.964 20 0 JFADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3csc(C)n3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001296010585 1064069078 /nfs/dbraw/zinc/06/90/78/1064069078.db2.gz QQTJSJNOVYULIP-QZTJIDSGSA-N 2 0 461.680 2.664 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2C[C@H]2CCC[NH+]2CCCO)C[C@H]1C ZINC001296013860 1064074890 /nfs/dbraw/zinc/07/48/90/1064074890.db2.gz OUFKKQOBWFXDIH-QHAWAJNXSA-N 2 0 474.625 2.762 20 0 JFADRP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001291579259 1064105509 /nfs/dbraw/zinc/10/55/09/1064105509.db2.gz IOQWPZWBLNALOI-BHDDXSALSA-N 2 0 459.683 2.655 20 0 JFADRP CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001296067343 1064132824 /nfs/dbraw/zinc/13/28/24/1064132824.db2.gz IIVOIJNOKTXMIU-WOJBJXKFSA-N 2 0 488.599 2.747 20 0 JFADRP CC[C@H](C)c1nnc(N2CC[NH+](C3CCOCC3)C[C@H]2C)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001291620249 1064158775 /nfs/dbraw/zinc/15/87/75/1064158775.db2.gz HXWCTLNHABTDGH-LEWJYISDSA-N 2 0 461.699 2.507 20 0 JFADRP CC[C@@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001291620515 1064159383 /nfs/dbraw/zinc/15/93/83/1064159383.db2.gz JWCKOQONOFTNBH-MSYCTHLASA-N 2 0 450.697 2.918 20 0 JFADRP CC[C@H](C)c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001291630160 1064174940 /nfs/dbraw/zinc/17/49/40/1064174940.db2.gz RPMGCXYKMQHORV-FCHUYYIVSA-N 3 0 454.667 2.929 20 0 JFADRP CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccccc3F)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001296131446 1064225751 /nfs/dbraw/zinc/22/57/51/1064225751.db2.gz KRMYWMGGAUBYHP-JOCHJYFZSA-N 2 0 471.669 2.955 20 0 JFADRP CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001296132589 1064230666 /nfs/dbraw/zinc/23/06/66/1064230666.db2.gz BTEOZPHXMRLWLR-ZLNRFVROSA-N 2 0 499.704 2.811 20 0 JFADRP CC[C@@H](C)[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](CCOC)[C@H](C)C1 ZINC001291761983 1064242853 /nfs/dbraw/zinc/24/28/53/1064242853.db2.gz RHNNQKWQFOUFOF-QZTJIDSGSA-N 2 0 496.498 2.933 20 0 JFADRP CC[C@@H](C)[N@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001291766426 1064248132 /nfs/dbraw/zinc/24/81/32/1064248132.db2.gz CZVIVNYAYKQERY-HXUWFJFHSA-N 2 0 456.635 2.985 20 0 JFADRP CC[N@@H+]1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H](C)[NH+]2CCc3ccccc3C2)C[C@H]1C ZINC001296142456 1064250133 /nfs/dbraw/zinc/25/01/33/1064250133.db2.gz LOFLTDQNKLUJPB-VSKRKVRLSA-N 2 0 470.662 2.979 20 0 JFADRP CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[NH+](C(C)C)C2)C[C@@H]1C ZINC001296145467 1064255843 /nfs/dbraw/zinc/25/58/43/1064255843.db2.gz YZRZQQZQLJVOEG-HWBMXIPRSA-N 2 0 462.683 2.970 20 0 JFADRP CC[C@@H](C)[N@H+](C)CCn1c(Cc2cccnc2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001291782476 1064271882 /nfs/dbraw/zinc/27/18/82/1064271882.db2.gz PGPILCHCQHTZMV-VWNXMTODSA-N 2 0 468.694 2.599 20 0 JFADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC001296160804 1064274911 /nfs/dbraw/zinc/27/49/11/1064274911.db2.gz PMHJJDXILVICBZ-HSALFYBXSA-N 2 0 463.671 2.873 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001296162779 1064276210 /nfs/dbraw/zinc/27/62/10/1064276210.db2.gz PJUOYTLLVHQANI-OAQYLSRUSA-N 2 0 456.635 2.520 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001296163246 1064277778 /nfs/dbraw/zinc/27/77/78/1064277778.db2.gz SMXZOQBFZPOBIA-RBBKRZOGSA-N 2 0 458.626 2.895 20 0 JFADRP CC[NH+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001296164826 1064283323 /nfs/dbraw/zinc/28/33/23/1064283323.db2.gz DPNPSMFLIHIGIH-OALUTQOASA-N 2 0 459.664 2.674 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001296166719 1064288594 /nfs/dbraw/zinc/28/85/94/1064288594.db2.gz OYZIHHZOXXBGFL-UXHICEINSA-N 2 0 473.691 2.920 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001296167120 1064289769 /nfs/dbraw/zinc/28/97/69/1064289769.db2.gz QSHWTETUFLVXIV-RBUKOAKNSA-N 2 0 459.664 2.532 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001296167116 1064289980 /nfs/dbraw/zinc/28/99/80/1064289980.db2.gz QSHWTETUFLVXIV-MOPGFXCFSA-N 2 0 459.664 2.532 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C[C@H]1C ZINC001296174701 1064302604 /nfs/dbraw/zinc/30/26/04/1064302604.db2.gz RWRMNIDNWXYNEU-ISKFKSNPSA-N 2 0 497.688 2.639 20 0 JFADRP CCN1CC[NH+](C[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC001296194388 1064355509 /nfs/dbraw/zinc/35/55/09/1064355509.db2.gz SBPLRCJNNMUTHC-QHCPKHFHSA-N 2 0 489.753 2.689 20 0 JFADRP CCN1CC[NH+](CCCCn2c(-c3ccc(OC)cc3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC001296195434 1064361901 /nfs/dbraw/zinc/36/19/01/1064361901.db2.gz KKULWBPORZROJU-QFIPXVFZSA-N 2 0 469.678 2.902 20 0 JFADRP CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccn3C)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001296196241 1064365916 /nfs/dbraw/zinc/36/59/16/1064365916.db2.gz TUWBOHGDDCCTDC-JOCHJYFZSA-N 2 0 470.710 2.868 20 0 JFADRP CC[NH+]1CCN(CCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001296202521 1064378025 /nfs/dbraw/zinc/37/80/25/1064378025.db2.gz FATPKOPTIZZLHZ-UHFFFAOYSA-N 2 0 496.704 2.705 20 0 JFADRP CCN1CC[NH+](CCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001296206440 1064395391 /nfs/dbraw/zinc/39/53/91/1064395391.db2.gz QXDYDXNJRGNALO-VXKWHMMOSA-N 2 0 499.704 2.909 20 0 JFADRP CC[NH+]1CCN(CCCn2c(Cc3ccc(F)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001296210023 1064400292 /nfs/dbraw/zinc/40/02/92/1064400292.db2.gz CMFRWSQVKPUEMF-UHFFFAOYSA-N 2 0 471.669 2.956 20 0 JFADRP CCC(CC)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC001291967942 1064583758 /nfs/dbraw/zinc/58/37/58/1064583758.db2.gz NSIOWXAWWBGTFZ-WPYKKVEZSA-N 2 0 462.683 2.838 20 0 JFADRP CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](C(C)C)CC1)[NH+]1CCOCC1 ZINC001291972548 1064586952 /nfs/dbraw/zinc/58/69/52/1064586952.db2.gz BQDZTVUAXQSEPB-XMMPIXPASA-N 2 0 486.709 2.807 20 0 JFADRP CCC(CC)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC001291973623 1064588333 /nfs/dbraw/zinc/58/83/33/1064588333.db2.gz IDRJQRWCQCDIGW-FGZHOGPDSA-N 2 0 459.683 2.832 20 0 JFADRP CCc1ccccc1OCc1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CC[NH+]1CCSCC1 ZINC001292615661 1065348459 /nfs/dbraw/zinc/34/84/59/1065348459.db2.gz QFAUQYVHCIVOOM-HXUWFJFHSA-N 2 0 458.676 2.999 20 0 JFADRP CCc1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001292893144 1065592458 /nfs/dbraw/zinc/59/24/58/1065592458.db2.gz LHSSXWWGVIHIAJ-WIOPSUGQSA-N 2 0 487.737 2.978 20 0 JFADRP CCc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001293039402 1065707259 /nfs/dbraw/zinc/70/72/59/1065707259.db2.gz ARUIXVUBHFFGGC-OAQYLSRUSA-N 2 0 498.676 2.941 20 0 JFADRP CCc1nnc(N2CCC[NH+](Cc3cnn(C)c3)CC2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001293073631 1065726177 /nfs/dbraw/zinc/72/61/77/1065726177.db2.gz WYJPZUXNAVXMKE-UHFFFAOYSA-N 2 0 456.561 2.561 20 0 JFADRP CCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001293116081 1065762633 /nfs/dbraw/zinc/76/26/33/1065762633.db2.gz JCYYEGZWFXTBKC-WMZHIEFXSA-N 2 0 456.635 2.842 20 0 JFADRP CCc1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001293123816 1065776629 /nfs/dbraw/zinc/77/66/29/1065776629.db2.gz MMAHONCQQRBXOG-HSZRJFAPSA-N 2 0 453.679 2.745 20 0 JFADRP CC[C@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001293371480 1065974522 /nfs/dbraw/zinc/97/45/22/1065974522.db2.gz MKGJRKHCJQAASZ-RTWAWAEBSA-N 2 0 480.723 2.755 20 0 JFADRP CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001293371476 1065974647 /nfs/dbraw/zinc/97/46/47/1065974647.db2.gz MKGJRKHCJQAASZ-LEWJYISDSA-N 2 0 480.723 2.755 20 0 JFADRP CC[C@H]1CCCC[N@@H+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001293371482 1065974716 /nfs/dbraw/zinc/97/47/16/1065974716.db2.gz MKGJRKHCJQAASZ-SFTDATJTSA-N 2 0 480.723 2.755 20 0 JFADRP CC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCC[NH+]2CC)CC[N@@H+]1CCOC ZINC001293538955 1066056833 /nfs/dbraw/zinc/05/68/33/1066056833.db2.gz HLGMUFDOJWHDFD-VXKWHMMOSA-N 2 0 456.635 2.985 20 0 JFADRP CC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2([NH+](C)C)CCSC2)CC[N@@H+]1CCOC ZINC001293556939 1066071022 /nfs/dbraw/zinc/07/10/22/1066071022.db2.gz KQWOOQZSVFGFPJ-BWKNWUBXSA-N 2 0 488.702 2.938 20 0 JFADRP CC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC[N@@H+]1CCOC ZINC001293592703 1066098292 /nfs/dbraw/zinc/09/82/92/1066098292.db2.gz CVWYRDJZDHJFHG-WWNPGLIZSA-N 2 0 474.625 2.771 20 0 JFADRP CC[C@H]1CN(c2nnc(CC3CCCC3)n2C[C@@]2([NH+](C)C)CCSC2)CC[N@@H+]1CCOC ZINC001293624119 1066140144 /nfs/dbraw/zinc/14/01/44/1066140144.db2.gz VCNHIZYLQKGIDR-URXFXBBRSA-N 2 0 464.724 2.995 20 0 JFADRP CC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[NH+](C(C)C)C2)CC[N@@H+]1CCOC ZINC001293635126 1066150175 /nfs/dbraw/zinc/15/01/75/1066150175.db2.gz LFXPMQUTYLNNSI-BJKOFHAPSA-N 2 0 486.709 2.807 20 0 JFADRP CCC[C@H]1CN(c2nnc(C3CCCC3)n2CCN2CC[NH+](C)C(C)(C)C2)CC[N@@H+]1CCOC ZINC001294081759 1066549959 /nfs/dbraw/zinc/54/99/59/1066549959.db2.gz OQJPPRJMNJQLQX-QHCPKHFHSA-N 2 0 475.726 2.899 20 0 JFADRP O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC[C@@H]4[NH2+]CCO[C@@H]4C3)c21 ZINC001164389567 718823908 /nfs/dbraw/zinc/82/39/08/718823908.db2.gz IQVQGPFTJSZOQC-VQTJNVASSA-N 2 0 468.985 2.964 20 0 JFADRP CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3[NH2+]Cc4ccccc4[C@@H]3C2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164423053 718943897 /nfs/dbraw/zinc/94/38/97/718943897.db2.gz DAPFWTLWYYVKMW-XZOYJPPVSA-N 2 0 463.626 2.956 20 0 JFADRP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cccc(N4CC[NH+](C)CC4)n3)CC2)c2ccccc21 ZINC001164681886 719673281 /nfs/dbraw/zinc/67/32/81/719673281.db2.gz OAPRBKILVPGGHR-QHCPKHFHSA-N 2 0 490.696 2.927 20 0 JFADRP C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2)CC1 ZINC001164748178 720855985 /nfs/dbraw/zinc/85/59/85/720855985.db2.gz KWFPSXUYQURKGC-YZUZCNPQSA-N 2 0 451.619 2.526 20 0 JFADRP Clc1nc2c(c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n1)C[NH2+]CC2 ZINC001164750052 720869691 /nfs/dbraw/zinc/86/96/91/720869691.db2.gz INQTVEAZCNLTFB-NBGIEHNGSA-N 2 0 469.033 2.926 20 0 JFADRP Clc1nc2c(c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)CC[NH2+]C2 ZINC001164748543 720877402 /nfs/dbraw/zinc/87/74/02/720877402.db2.gz FVGSFQRPCMLSQT-NLFFAJNJSA-N 2 0 469.033 2.926 20 0 JFADRP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ccc(OC4CC[NH2+]CC4)nn2)C3)c1 ZINC001164747857 720914123 /nfs/dbraw/zinc/91/41/23/720914123.db2.gz DPFXXTBUBWDUGY-KCWPFWIISA-N 2 0 478.641 2.758 20 0 JFADRP CN1C[C@@H](COCC2CC2)[C@@H]2CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC[C@@H]2C1=O ZINC001164857277 721030211 /nfs/dbraw/zinc/03/02/11/721030211.db2.gz CEHVZOULBPNNAV-OYDLWJJNSA-N 2 0 456.631 2.902 20 0 JFADRP CN1C[C@H](COCC2CC2)[C@H]2CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC[C@@H]2C1=O ZINC001164857276 721030660 /nfs/dbraw/zinc/03/06/60/721030660.db2.gz CEHVZOULBPNNAV-HUVFLSCGSA-N 2 0 456.631 2.902 20 0 JFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4COC[C@H](CC(=O)N5CCC(F)CC5)[C@H]4C3)c2)CC1 ZINC001164895129 721479506 /nfs/dbraw/zinc/47/95/06/721479506.db2.gz RBUMXXQQELTONZ-YCRNBWNJSA-N 2 0 460.594 2.604 20 0 JFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@]4(c5ccccc5)CCN(S(C)(=O)=O)[C@H]4C3)c2)CC1 ZINC001164992014 722187261 /nfs/dbraw/zinc/18/72/61/722187261.db2.gz RHWDRYYGUZJIRX-ZCYQVOJMSA-N 2 0 470.639 2.737 20 0 JFADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(C)C)n3CC[NH+]3CCC[C@H](C)C3)C[C@@H]2C)CC1 ZINC001286869917 1061264253 /nfs/dbraw/zinc/26/42/53/1061264253.db2.gz GQKXPWKBXIUUTK-QNWVGRARSA-N 2 0 459.683 2.512 20 0 JFADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(-c4ccccn4)n3CC[NH+](C(C)C)C(C)C)C[C@@H]2C)CC1 ZINC001286870303 1061265353 /nfs/dbraw/zinc/26/53/53/1061265353.db2.gz IPMUTQYBLQHSKQ-WIOPSUGQSA-N 2 0 496.704 2.838 20 0 JFADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](CC(C)C)[NH+](C)C)C[C@H]2C)CC1 ZINC001286871174 1061270481 /nfs/dbraw/zinc/27/04/81/1061270481.db2.gz MQDMVGAKDHAEKA-AKIFATBCSA-N 2 0 475.726 2.931 20 0 JFADRP CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(CC(C)C)n3CC[NH+]3CCCC(C)(C)C3)C[C@@H]2C)CC1 ZINC001286871407 1061270922 /nfs/dbraw/zinc/27/09/22/1061270922.db2.gz NUZQKMZQVBQWRH-UPVQGACJSA-N 2 0 487.737 2.978 20 0 JFADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C)n3C[C@@H](c3ccc(C)cc3)[NH+](C)C)C[C@@H]2C)CC1 ZINC001286872940 1061282840 /nfs/dbraw/zinc/28/28/40/1061282840.db2.gz ZBEQSCABLBBEDM-AMDXRBSFSA-N 2 0 467.662 2.577 20 0 JFADRP CCCC[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001294226272 1061738927 /nfs/dbraw/zinc/73/89/27/1061738927.db2.gz RNNJPIOOIDLVKY-PKTZIBPZSA-N 2 0 494.750 2.860 20 0 JFADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001294463035 1062012802 /nfs/dbraw/zinc/01/28/02/1062012802.db2.gz NSGFSICFUWTCME-GGAORHGYSA-N 2 0 455.651 2.865 20 0 JFADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001294463036 1062013284 /nfs/dbraw/zinc/01/32/84/1062013284.db2.gz NSGFSICFUWTCME-GMAHTHKFSA-N 2 0 455.651 2.865 20 0 JFADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](C)[NH+](C)C)C1 ZINC001294467544 1062016307 /nfs/dbraw/zinc/01/63/07/1062016307.db2.gz GUSUQKFCJMXGFB-LEWJYISDSA-N 2 0 469.682 2.570 20 0 JFADRP Cc1nc(Cc2nnc(N3CCC[C@H](C[NH+]4CCOCC4)C3)n2CC[N@@H+](C)C(C)C)cs1 ZINC001290433564 1062199352 /nfs/dbraw/zinc/19/93/52/1062199352.db2.gz XCOFXZKZKUKPTJ-HXUWFJFHSA-N 2 0 461.680 2.523 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001294682895 1062241251 /nfs/dbraw/zinc/24/12/51/1062241251.db2.gz KDHODSWMULYJDR-HXUWFJFHSA-N 2 0 480.723 2.755 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001294684661 1062245182 /nfs/dbraw/zinc/24/51/82/1062245182.db2.gz WIFVQZCTNYCRBU-FQEVSTJZSA-N 2 0 480.723 2.755 20 0 JFADRP CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001294694978 1062256227 /nfs/dbraw/zinc/25/62/27/1062256227.db2.gz XHRCRRUTUZWMPC-VXKWHMMOSA-N 2 0 459.683 2.947 20 0 JFADRP CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001294708070 1062273671 /nfs/dbraw/zinc/27/36/71/1062273671.db2.gz QPSDTGRRIPTDES-DHIUTWEWSA-N 2 0 489.709 2.775 20 0 JFADRP CC(C)C(=O)NC[C@H]1CCCN(c2nnc(C(C)C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001287122719 1062373723 /nfs/dbraw/zinc/37/37/23/1062373723.db2.gz HVPQPLDJUBLOMP-HSZRJFAPSA-N 2 0 496.704 2.997 20 0 JFADRP CCCNC(=O)C1CCN(c2nnc(C(C)C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001294815007 1062493158 /nfs/dbraw/zinc/49/31/58/1062493158.db2.gz GAQCSMIUQGVFMX-UHFFFAOYSA-N 2 0 482.677 2.751 20 0 JFADRP Cc1cc(C)n(Cc2nnc(N3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001290628201 1062501320 /nfs/dbraw/zinc/50/13/20/1062501320.db2.gz JYGALELNARYIMN-VWLOTQADSA-N 2 0 499.752 2.863 20 0 JFADRP Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](Cc4ccccc4)CC3)n2C[C@H](C)[NH+](C)C)n1 ZINC001290639117 1062523088 /nfs/dbraw/zinc/52/30/88/1062523088.db2.gz HGYKHRREOJNKFD-QFIPXVFZSA-N 2 0 450.635 2.802 20 0 JFADRP CC(C)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287200568 1062638291 /nfs/dbraw/zinc/63/82/91/1062638291.db2.gz FVAXRYFQIFSFJT-QFIPXVFZSA-N 2 0 459.683 2.799 20 0 JFADRP Cc1nnc(N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001290751242 1062669492 /nfs/dbraw/zinc/66/94/92/1062669492.db2.gz PHCPGFVOKBDAPK-DENIHFKCSA-N 2 0 484.649 2.543 20 0 JFADRP CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001287213846 1062674018 /nfs/dbraw/zinc/67/40/18/1062674018.db2.gz FWSGCICQDSUMHS-PMACEKPBSA-N 2 0 459.664 2.509 20 0 JFADRP CN1CC[N@H+](CCCNC(=O)[C@@]2(O)CCC[NH+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC001290820494 1062716116 /nfs/dbraw/zinc/71/61/16/1062716116.db2.gz MICXTSPPSSYMSP-XNMGPUDCSA-N 2 0 450.627 2.509 20 0 JFADRP CC(C)C[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1)[NH+](C)C ZINC001287329178 1062804930 /nfs/dbraw/zinc/80/49/30/1062804930.db2.gz RTRJEACWAUDNSP-LOSJGSFVSA-N 2 0 498.720 2.548 20 0 JFADRP CC(C)C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1)[NH+](C)C ZINC001287338899 1062816017 /nfs/dbraw/zinc/81/60/17/1062816017.db2.gz PEZIWKZPSQCLMM-FGZHOGPDSA-N 2 0 459.683 2.689 20 0 JFADRP CC(C)C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)[NH+](C)C ZINC001287340024 1062817623 /nfs/dbraw/zinc/81/76/23/1062817623.db2.gz AOSXNUNWPLIFMC-XPWALMASSA-N 2 0 461.699 2.711 20 0 JFADRP CC(C)C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1)[NH+](C)C ZINC001287340661 1062818098 /nfs/dbraw/zinc/81/80/98/1062818098.db2.gz HEVOKBJLYAHYCA-FCHUYYIVSA-N 2 0 458.655 2.552 20 0 JFADRP CC(C)Cc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001287417582 1062855214 /nfs/dbraw/zinc/85/52/14/1062855214.db2.gz BBAFVHWVYWYYTM-HJOGWXRNSA-N 2 0 475.726 2.581 20 0 JFADRP CC[N@H+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@@H](C)[NH+](CC)C[C@H]2C)c1 ZINC001295126307 1062940740 /nfs/dbraw/zinc/94/07/40/1062940740.db2.gz DVLXDTGATVOPRL-NHCUHLMSSA-N 2 0 467.662 2.933 20 0 JFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001291096705 1063058424 /nfs/dbraw/zinc/05/84/24/1063058424.db2.gz JFJLBBGFRZBZJI-NJDAHSKKSA-N 2 0 459.683 2.908 20 0 JFADRP CC(C)C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001287741884 1063068624 /nfs/dbraw/zinc/06/86/24/1063068624.db2.gz OTXHUSUSWASGFQ-VXKWHMMOSA-N 2 0 461.699 2.952 20 0 JFADRP CC(C)C[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001287748652 1063072498 /nfs/dbraw/zinc/07/24/98/1063072498.db2.gz AVUGXRKIGSBSDP-BVAGGSTKSA-N 2 0 492.709 2.598 20 0 JFADRP CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC001291106645 1063093408 /nfs/dbraw/zinc/09/34/08/1063093408.db2.gz YQVADIWGVGVZKJ-URVUXULASA-N 2 0 459.683 2.906 20 0 JFADRP CC(C)C[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001287770460 1063097674 /nfs/dbraw/zinc/09/76/74/1063097674.db2.gz UIOARFBUDUYXSZ-RBBKRZOGSA-N 2 0 453.635 2.528 20 0 JFADRP CC(C)[N@H+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001291180065 1063270949 /nfs/dbraw/zinc/27/09/49/1063270949.db2.gz SZKVCHFEENFBLX-DHIUTWEWSA-N 2 0 494.750 2.859 20 0 JFADRP CC[NH+](CC)[C@@H](C)Cn1c(C2CCCC2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001295376954 1063346250 /nfs/dbraw/zinc/34/62/50/1063346250.db2.gz QWMHLXPKLLURCK-LADGPHEKSA-N 2 0 475.726 2.897 20 0 JFADRP CC[NH+](CC)[C@@H](C)Cn1c(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001295390302 1063369410 /nfs/dbraw/zinc/36/94/10/1063369410.db2.gz NICRYVIDMPGTLD-AOJNWGRGSA-N 2 0 492.709 2.739 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001295475317 1063484744 /nfs/dbraw/zinc/48/47/44/1063484744.db2.gz RTNCKHFSZWLWEL-OAQYLSRUSA-N 2 0 459.683 2.833 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001295482686 1063504343 /nfs/dbraw/zinc/50/43/43/1063504343.db2.gz XQTYUZNZQYWRSK-JOCHJYFZSA-N 2 0 481.689 2.976 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001295482674 1063504383 /nfs/dbraw/zinc/50/43/83/1063504383.db2.gz XFBZIWRWRUFRAR-UHFFFAOYSA-N 2 0 484.693 2.539 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001295490623 1063517189 /nfs/dbraw/zinc/51/71/89/1063517189.db2.gz BKBOTNJZVUCOPO-JOCHJYFZSA-N 2 0 487.718 2.795 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC3CC3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001295490924 1063519418 /nfs/dbraw/zinc/51/94/18/1063519418.db2.gz JJTFRPWVGHBUEA-VXKWHMMOSA-N 2 0 487.737 2.978 20 0 JFADRP CC[NH+](CC)Cc1cccc(Cn2c(C)nnc2N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)c1 ZINC001295494096 1063528322 /nfs/dbraw/zinc/52/83/22/1063528322.db2.gz YRKSZLIFQQJHAG-LVXARBLLSA-N 2 0 481.689 2.856 20 0 JFADRP CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001295522179 1063559192 /nfs/dbraw/zinc/55/91/92/1063559192.db2.gz IYBUIXFYGPPFTA-UHFFFAOYSA-N 2 0 459.683 2.947 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001295551251 1063584201 /nfs/dbraw/zinc/58/42/01/1063584201.db2.gz RIZRYGGKWYSSFW-HXUWFJFHSA-N 2 0 473.691 2.671 20 0 JFADRP C[C@H]1C[N@H+](CCCn2c(CC(C)(C)C)nnc2N2CC[NH+](C[C@H]3CCOC3)CC2)CCCO1 ZINC001291292681 1063677534 /nfs/dbraw/zinc/67/75/34/1063677534.db2.gz IAJFFXBBLJXDCH-FCHUYYIVSA-N 2 0 462.683 2.526 20 0 JFADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1CCC[NH+]1CCCO[C@H](C)C1 ZINC001291295125 1063693162 /nfs/dbraw/zinc/69/31/62/1063693162.db2.gz VDKQKFSFLGSILQ-NHCUHLMSSA-N 2 0 462.683 2.766 20 0 JFADRP CC[N@H+](CCn1c(C2CC2)nnc1N1C[C@H](C)[C@H]([NH+]2CCCN(C(C)=O)CC2)C1)CCC(F)(F)F ZINC001295846341 1063868179 /nfs/dbraw/zinc/86/81/79/1063868179.db2.gz RPGLCDKIUUWFBI-GHTZIAJQSA-N 2 0 499.626 2.809 20 0 JFADRP CC[N@H+](CCn1c(-c2noc3c2COCC3)nnc1N1CC[NH+](C(C)C)CC1)CCC(F)(F)F ZINC001295847035 1063869964 /nfs/dbraw/zinc/86/99/64/1063869964.db2.gz XZISUWCPRURPLO-UHFFFAOYSA-N 2 0 485.555 2.811 20 0 JFADRP CC[N@H+](CCn1c(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)nnc1C(C)(C)C)CCC(F)(F)F ZINC001295868220 1063904506 /nfs/dbraw/zinc/90/45/06/1063904506.db2.gz GLLKTUPVAKSNEW-GOSISDBHSA-N 2 0 487.615 2.593 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001295975792 1064020126 /nfs/dbraw/zinc/02/01/26/1064020126.db2.gz FDGZERBSORPMMC-PMACEKPBSA-N 2 0 468.650 2.966 20 0 JFADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2CCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC001295976631 1064022550 /nfs/dbraw/zinc/02/25/50/1064022550.db2.gz HUINMYASCDUKKX-XZOQPEGZSA-N 2 0 496.704 2.548 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C[C@@H]1C ZINC001295977432 1064023423 /nfs/dbraw/zinc/02/34/23/1064023423.db2.gz KPVVLVJNVVHYSE-BBTUJRGHSA-N 2 0 459.614 2.777 20 0 JFADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2CC2CCN(c3cc[nH+]cc3)CC2)C[C@H]1C ZINC001295977447 1064023984 /nfs/dbraw/zinc/02/39/84/1064023984.db2.gz KQMCRNFHULMJFC-WOJBJXKFSA-N 2 0 468.650 2.647 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCC[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001295982012 1064032621 /nfs/dbraw/zinc/03/26/21/1064032621.db2.gz VZHURBVXKRREFH-BDTNDASRSA-N 2 0 459.683 2.945 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001295982089 1064033622 /nfs/dbraw/zinc/03/36/22/1064033622.db2.gz WIYAIGDCWUOZPS-NJYVYQBISA-N 2 0 468.650 2.966 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc4ccccc4n3)n2CCOCC[NH+](C)C)C[C@@H]1C ZINC001295986252 1064042943 /nfs/dbraw/zinc/04/29/43/1064042943.db2.gz UXJSGCSMIHNOFQ-PMACEKPBSA-N 2 0 451.619 2.990 20 0 JFADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1C ZINC001295996209 1064052360 /nfs/dbraw/zinc/05/23/60/1064052360.db2.gz NAHMRJHQBGLKNL-VQTJNVASSA-N 2 0 466.634 2.586 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001296010586 1064069308 /nfs/dbraw/zinc/06/93/08/1064069308.db2.gz QQTJSJNOVYULIP-ROUUACIJSA-N 2 0 461.680 2.664 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@@H](C2CCCCC2)[NH+](C)C)C[C@@H]1C ZINC001296011277 1064070472 /nfs/dbraw/zinc/07/04/72/1064070472.db2.gz UVDIKBFTZPTEDQ-ONTIZHBOSA-N 2 0 459.683 2.830 20 0 JFADRP CC[NH+]1CCC(CCn2c(N3CC[NH+](C(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001296031088 1064088592 /nfs/dbraw/zinc/08/85/92/1064088592.db2.gz PSOSHTQQJCXJGN-RUZDIDTESA-N 2 0 462.683 2.971 20 0 JFADRP CC[NH+]1CCC(CCn2c(N3CC[NH+](C(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001296031089 1064088735 /nfs/dbraw/zinc/08/87/35/1064088735.db2.gz PSOSHTQQJCXJGN-VWLOTQADSA-N 2 0 462.683 2.971 20 0 JFADRP CC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001296067229 1064132530 /nfs/dbraw/zinc/13/25/30/1064132530.db2.gz IIVOIJNOKTXMIU-UXHICEINSA-N 2 0 488.599 2.747 20 0 JFADRP CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001296073940 1064140025 /nfs/dbraw/zinc/14/00/25/1064140025.db2.gz IALHYXZYKWYBSI-QHCPKHFHSA-N 2 0 467.662 2.921 20 0 JFADRP CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC001296130964 1064224713 /nfs/dbraw/zinc/22/47/13/1064224713.db2.gz GXYQPKXXIQGINZ-SFTDATJTSA-N 2 0 457.642 2.564 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H](C)[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001296137477 1064243600 /nfs/dbraw/zinc/24/36/00/1064243600.db2.gz PJBAEJZSCOHETQ-RTWAWAEBSA-N 2 0 455.651 2.857 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3cccc(Br)c3)n2CCOCC[NH+](C)C)C[C@@H]1C ZINC001296142743 1064251155 /nfs/dbraw/zinc/25/11/55/1064251155.db2.gz MXUXWJPVCVBNKJ-KRWDZBQOSA-N 2 0 465.440 2.816 20 0 JFADRP CC[C@H](C)[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001291771510 1064254701 /nfs/dbraw/zinc/25/47/01/1064254701.db2.gz GKNIIUQTJYMCLO-KSEOMHKRSA-N 2 0 453.635 2.670 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001296145094 1064254994 /nfs/dbraw/zinc/25/49/94/1064254994.db2.gz LIRRBWCIKIVCRP-RTWAWAEBSA-N 2 0 468.650 2.968 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001296145889 1064256258 /nfs/dbraw/zinc/25/62/58/1064256258.db2.gz GSRJLACBMRWQIU-VGOFRKELSA-N 2 0 477.451 2.613 20 0 JFADRP CC[C@@H](C)[N@H+](C)CCn1c(C2CCCC2)nnc1N1CCN(C[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001291774050 1064260709 /nfs/dbraw/zinc/26/07/09/1064260709.db2.gz KTZMIQFRAPDRLS-VWNXMTODSA-N 2 0 475.726 2.897 20 0 JFADRP CC[C@H](C)[N@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001291781830 1064269501 /nfs/dbraw/zinc/26/95/01/1064269501.db2.gz JFLKRIRVBRKKJY-QHCPKHFHSA-N 2 0 482.721 2.989 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001296162836 1064276885 /nfs/dbraw/zinc/27/68/85/1064276885.db2.gz PYOALTVJKCWYSO-NJYVYQBISA-N 2 0 455.651 2.682 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC001296169229 1064292628 /nfs/dbraw/zinc/29/26/28/1064292628.db2.gz KTQSUULOZHABHU-HXUWFJFHSA-N 2 0 459.708 2.734 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001296173703 1064297043 /nfs/dbraw/zinc/29/70/43/1064297043.db2.gz KMZNOSAGNDGIEN-IBGZPJMESA-N 2 0 477.053 2.888 20 0 JFADRP CC[N@@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCC[NH+](CC(C)C)C2)C[C@@H]1C ZINC001296173694 1064298193 /nfs/dbraw/zinc/29/81/93/1064298193.db2.gz KCVVBAZKZZAYOO-BJESRGMDSA-N 2 0 462.683 2.901 20 0 JFADRP CC[N@H+](CCn1c(-c2ccccn2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1)CCC(F)(F)F ZINC001296181315 1064314987 /nfs/dbraw/zinc/31/49/87/1064314987.db2.gz VPQGANCMQAXUEN-HXUWFJFHSA-N 2 0 494.610 2.831 20 0 JFADRP CCN1CC[NH+](C[C@H](C)Cn2c(C(C)C)nnc2N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC001296183294 1064327660 /nfs/dbraw/zinc/32/76/60/1064327660.db2.gz CUYOKXBHFSBCJP-SDHOMARFSA-N 2 0 488.769 2.670 20 0 JFADRP CCN1CC[NH+](CCCCn2c(Cc3ccccn3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001296204756 1064387065 /nfs/dbraw/zinc/38/70/65/1064387065.db2.gz WEUJURDNHKMYMA-UHFFFAOYSA-N 2 0 482.721 2.992 20 0 JFADRP CCN1CC[NH+](CCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001296206441 1064395354 /nfs/dbraw/zinc/39/53/54/1064395354.db2.gz QXDYDXNJRGNALO-YADHBBJMSA-N 2 0 499.704 2.909 20 0 JFADRP CCn1nc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CCC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001296221068 1064437341 /nfs/dbraw/zinc/43/73/41/1064437341.db2.gz DAQNNTSWCCNTGM-UHFFFAOYSA-N 2 0 480.661 2.936 20 0 JFADRP CCC(CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)[NH+](C)C ZINC001291954601 1064568323 /nfs/dbraw/zinc/56/83/23/1064568323.db2.gz VQTMLFJBPAXHEI-LEWJYISDSA-N 2 0 468.650 2.966 20 0 JFADRP CCC(CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)[NH+](C)C ZINC001291954609 1064568361 /nfs/dbraw/zinc/56/83/61/1064568361.db2.gz VQTMLFJBPAXHEI-SFTDATJTSA-N 2 0 468.650 2.966 20 0 JFADRP CC[C@H](Cn1c(C(C)C)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1)[NH+]1CCCC1 ZINC001292162057 1064946981 /nfs/dbraw/zinc/94/69/81/1064946981.db2.gz IBDXXAPMTMFLCA-MDNUFGMLSA-N 2 0 459.683 2.655 20 0 JFADRP CC[C@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[NH+](C(C)C)CC1)OC ZINC001292243255 1065026163 /nfs/dbraw/zinc/02/61/63/1065026163.db2.gz QNQGDEDXMHVZNM-XMMPIXPASA-N 2 0 469.678 2.598 20 0 JFADRP CCc1ccccc1OCc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001292614614 1065344954 /nfs/dbraw/zinc/34/49/54/1065344954.db2.gz GWCILQUONKDTBA-OAQYLSRUSA-N 2 0 470.662 2.918 20 0 JFADRP CCc1ccccc1OCc1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CC[NH+]1CCSCC1 ZINC001292615660 1065348603 /nfs/dbraw/zinc/34/86/03/1065348603.db2.gz QFAUQYVHCIVOOM-FQEVSTJZSA-N 2 0 458.676 2.999 20 0 JFADRP CCc1nnc(N2C[C@@H](C)[C@@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001292893143 1065592404 /nfs/dbraw/zinc/59/24/04/1065592404.db2.gz LHSSXWWGVIHIAJ-RDGATRHJSA-N 2 0 487.737 2.978 20 0 JFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC001292948615 1065629049 /nfs/dbraw/zinc/62/90/49/1065629049.db2.gz HFEHPUXKYCTWCD-KRWDZBQOSA-N 2 0 453.425 2.534 20 0 JFADRP CCc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001292961268 1065642182 /nfs/dbraw/zinc/64/21/82/1065642182.db2.gz VZZLTLITCMPOPB-HSZRJFAPSA-N 2 0 456.635 2.701 20 0 JFADRP CCc1nnc(N2CC[NH+](Cc3ccccc3C)CC2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001293128117 1065779053 /nfs/dbraw/zinc/77/90/53/1065779053.db2.gz JWNSGYDAXIMYJT-QFIPXVFZSA-N 2 0 453.679 2.745 20 0 JFADRP CC[C@H]1CN(c2nnc(C)n2C[C@H](c2ccccc2OC)[NH+]2CCCC2)CC[N@@H+]1CCOC ZINC001293530373 1066049816 /nfs/dbraw/zinc/04/98/16/1066049816.db2.gz OUSVLYHYCNLWJA-JTHBVZDNSA-N 2 0 456.635 2.979 20 0 JFADRP CC[C@H]1CN(c2nnc(-c3ccccc3F)n2CC2([NH+](C)C)CCOCC2)CC[N@@H+]1CCOC ZINC001293566753 1066080053 /nfs/dbraw/zinc/08/00/53/1066080053.db2.gz WNDRZKRAABQMNT-FQEVSTJZSA-N 2 0 474.625 2.742 20 0 JFADRP CC[C@@H]1CN(c2nnc(C3CCCC3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC[N@@H+]1CCOC ZINC001293588193 1066096481 /nfs/dbraw/zinc/09/64/81/1066096481.db2.gz USFTYVHLSULDRO-MQSCRBSSSA-N 2 0 462.683 2.982 20 0 JFADRP CC[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC[NH+]2CCC(C)CC2)CC[N@@H+]1CCOC ZINC001293592613 1066098325 /nfs/dbraw/zinc/09/83/25/1066098325.db2.gz BVDBJTSNKUKMJC-PKTZIBPZSA-N 2 0 462.683 2.841 20 0 JFADRP CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001293945636 1066438297 /nfs/dbraw/zinc/43/82/97/1066438297.db2.gz RDHACSSYXCKFDU-JTHBVZDNSA-N 2 0 482.677 2.715 20 0 JFADRP OC[C@]12C[NH2+]C[C@@H]1CN(c1c3c(cnc1Cl)C1(CC[NH+](Cc4ccccc4)CC1)OC3)C2 ZINC001164408736 718852699 /nfs/dbraw/zinc/85/26/99/718852699.db2.gz STOOAAXQBJZCMA-NTKDMRAZSA-N 2 0 455.002 2.775 20 0 JFADRP C[N@@H+]1CCO[C@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4=O)C[C@@H]21 ZINC001164667817 719426119 /nfs/dbraw/zinc/42/61/19/719426119.db2.gz HIXZVKOQBKGMHB-PMACEKPBSA-N 2 0 468.985 2.916 20 0 JFADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(OC3CC[NH2+]CC3)nn1)CC2 ZINC001164714058 720142755 /nfs/dbraw/zinc/14/27/55/720142755.db2.gz VUYSRWHNMGHUAR-NRFANRHFSA-N 2 0 452.603 2.510 20 0 JFADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc1 ZINC001164718275 720203423 /nfs/dbraw/zinc/20/34/23/720203423.db2.gz ZGFBWRDJOWHTBI-GGAORHGYSA-N 2 0 453.635 2.973 20 0 JFADRP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164744539 720820621 /nfs/dbraw/zinc/82/06/21/720820621.db2.gz VDLOOFVQCDWRFU-QKNQBKEWSA-N 2 0 457.026 2.568 20 0 JFADRP C[NH+]1CCN(c2cccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)CC1 ZINC001164753375 720896732 /nfs/dbraw/zinc/89/67/32/720896732.db2.gz GSGUFSYXERHFTF-NAKRPHOHSA-N 2 0 476.669 2.984 20 0 JFADRP C[NH+]1CCN(c2cccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)CC1 ZINC001164753371 720896756 /nfs/dbraw/zinc/89/67/56/720896756.db2.gz GSGUFSYXERHFTF-LEAFIULHSA-N 2 0 476.669 2.984 20 0 JFADRP [NH3+]C1CCN(c2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)CC1 ZINC001164756587 720898200 /nfs/dbraw/zinc/89/82/00/720898200.db2.gz QRPGOPVOFRSBQG-HOFKKMOUSA-N 2 0 477.657 2.554 20 0 JFADRP CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]2OCC[C@@H]2N(c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)C1 ZINC001164757365 721017238 /nfs/dbraw/zinc/01/72/38/721017238.db2.gz DMRUMLNGBFTKTM-VEXUSMLFSA-N 2 0 465.598 2.592 20 0 JFADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc4c(n3)CC[NH+](Cc3ccccc3)C4)CC2)C1 ZINC001164870420 721267980 /nfs/dbraw/zinc/26/79/80/721267980.db2.gz YHAUXSDUJSWSGB-UHFFFAOYSA-N 2 0 477.653 2.647 20 0 JFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@@]4(C3)COCCN(c3ncc(F)cn3)C4)c2)CC1 ZINC001164924205 721846595 /nfs/dbraw/zinc/84/65/95/721846595.db2.gz XGSZENCUNGRGOQ-DEOSSOPVSA-N 2 0 456.566 2.607 20 0 JFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@]4(c5ccccc5)CCN(S(C)(=O)=O)[C@@H]4C3)c2)CC1 ZINC001164992008 722187285 /nfs/dbraw/zinc/18/72/85/722187285.db2.gz RHWDRYYGUZJIRX-NOZRDPDXSA-N 2 0 470.639 2.737 20 0 JFADRP C/C(=C/C(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC001263714774 1059498379 /nfs/dbraw/zinc/49/83/79/1059498379.db2.gz YHMOQZXZSISRDC-UZYVYHOESA-N 2 0 494.771 2.888 20 0 JFADRP C/C(=C\C(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC001263714773 1059498427 /nfs/dbraw/zinc/49/84/27/1059498427.db2.gz YHMOQZXZSISRDC-DYTRJAOYSA-N 2 0 494.771 2.888 20 0 JFADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CC(C)C)n3CC[NH+]3CCCC(C)(C)C3)C[C@@H]2C)CC1 ZINC001286871406 1061271550 /nfs/dbraw/zinc/27/15/50/1061271550.db2.gz NUZQKMZQVBQWRH-LADGPHEKSA-N 2 0 487.737 2.978 20 0 JFADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C)n3C[C@H](c3ccc(C)cc3)[NH+](C)C)C[C@@H]2C)CC1 ZINC001286872941 1061283247 /nfs/dbraw/zinc/28/32/47/1061283247.db2.gz ZBEQSCABLBBEDM-BUUDZMLXSA-N 2 0 467.662 2.577 20 0 JFADRP CC(=O)N[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001286915462 1061493154 /nfs/dbraw/zinc/49/31/54/1061493154.db2.gz SAJKLQZWKFNFIF-QFIPXVFZSA-N 2 0 482.677 2.579 20 0 JFADRP Cc1cccc(-c2nnc(N3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)n2CC[N@@H+](C)C(C)C)n1 ZINC001289954718 1061650582 /nfs/dbraw/zinc/65/05/82/1061650582.db2.gz OCESHFIWTIQYGA-QFIPXVFZSA-N 2 0 454.667 2.593 20 0 JFADRP CCCC[N@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001294214823 1061724058 /nfs/dbraw/zinc/72/40/58/1061724058.db2.gz NUPGMXDMZQCXDR-UHFFFAOYSA-N 2 0 456.635 2.987 20 0 JFADRP CCCC[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001294226271 1061739177 /nfs/dbraw/zinc/73/91/77/1061739177.db2.gz RNNJPIOOIDLVKY-GOTSBHOMSA-N 2 0 494.750 2.860 20 0 JFADRP Cc1cccc(OCc2nnc(N3CCN(C(=O)[C@H]4CCC[NH+]4C)CC3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001290071635 1061799007 /nfs/dbraw/zinc/79/90/07/1061799007.db2.gz QQCKBQOGIZAAJP-XMMPIXPASA-N 2 0 497.688 2.639 20 0 JFADRP CC(C)(C)Cc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001287034960 1062000059 /nfs/dbraw/zinc/00/00/59/1062000059.db2.gz CGKBBEYCRXWIQS-QHCPKHFHSA-N 2 0 476.710 2.652 20 0 JFADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001294467588 1062017005 /nfs/dbraw/zinc/01/70/05/1062017005.db2.gz HTNHWVXTZAHEIJ-ACIOBRDBSA-N 2 0 494.750 2.859 20 0 JFADRP CCC[N@H+](CC)CCn1c(-c2ccccn2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001294513690 1062047981 /nfs/dbraw/zinc/04/79/81/1062047981.db2.gz ICSMEROONIROFX-JOCHJYFZSA-N 2 0 454.667 2.677 20 0 JFADRP CCC[N@@H+]1CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[NH+](CC)[C@@H](C)C2)C1 ZINC001294671441 1062230131 /nfs/dbraw/zinc/23/01/31/1062230131.db2.gz WRIBJXRXJRBKST-OALUTQOASA-N 2 0 459.664 2.532 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001294688412 1062248528 /nfs/dbraw/zinc/24/85/28/1062248528.db2.gz YMWKPTSLRDBMMZ-DEOSSOPVSA-N 2 0 461.054 2.900 20 0 JFADRP CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001294694976 1062256273 /nfs/dbraw/zinc/25/62/73/1062256273.db2.gz XHRCRRUTUZWMPC-FCHUYYIVSA-N 2 0 459.683 2.947 20 0 JFADRP CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001294696239 1062258165 /nfs/dbraw/zinc/25/81/65/1062258165.db2.gz DEKVLGLIVHTNMW-QHCPKHFHSA-N 2 0 496.704 2.903 20 0 JFADRP CC(C)c1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1CC[NH+]1CCSCC1 ZINC001287196508 1062628042 /nfs/dbraw/zinc/62/80/42/1062628042.db2.gz LYBQHNNWZHPWHJ-UHFFFAOYSA-N 2 0 450.697 2.779 20 0 JFADRP Cc1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001290751247 1062669516 /nfs/dbraw/zinc/66/95/16/1062669516.db2.gz PHCPGFVOKBDAPK-SIKLNZKXSA-N 2 0 484.649 2.543 20 0 JFADRP CC(C)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001287214662 1062680636 /nfs/dbraw/zinc/68/06/36/1062680636.db2.gz XKWUSSGKWNPFLV-HSZRJFAPSA-N 2 0 470.662 2.939 20 0 JFADRP CN1CC[N@H+](CCCNC(=O)[C@]2(O)CCC[NH+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC001290820492 1062715292 /nfs/dbraw/zinc/71/52/92/1062715292.db2.gz MICXTSPPSSYMSP-VPUSJEBWSA-N 2 0 450.627 2.509 20 0 JFADRP CC(C)C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[NH+](C)C ZINC001287335470 1062813402 /nfs/dbraw/zinc/81/34/02/1062813402.db2.gz VQYKDEXTUOTMIU-BJKOFHAPSA-N 2 0 499.679 2.727 20 0 JFADRP CC(C)C[C@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCCOCC1)[NH+](C)C ZINC001287339742 1062817494 /nfs/dbraw/zinc/81/74/94/1062817494.db2.gz YDJFDVYJOSKTQK-RUZDIDTESA-N 2 0 483.705 2.846 20 0 JFADRP CC(C)[NH2+]C1CCN(c2nnc(CN3CCCC3=O)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001291014524 1062923523 /nfs/dbraw/zinc/92/35/23/1062923523.db2.gz DVOQPXRRXXLAQE-OYRHEFFESA-N 2 0 459.683 2.735 20 0 JFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(N3CCN(C(=O)C[NH+]4CCCC4)CC3)nnc2C(C)(C)C)C1 ZINC001291015041 1062925102 /nfs/dbraw/zinc/92/51/02/1062925102.db2.gz LXNYCOQFCKKGKE-FGZHOGPDSA-N 2 0 473.710 2.688 20 0 JFADRP CC(C)Cc1nnc(N2CCO[C@H](C(C)C)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001287486042 1062942031 /nfs/dbraw/zinc/94/20/31/1062942031.db2.gz BVMNUEHIIYSZSP-QHCPKHFHSA-N 2 0 455.651 2.945 20 0 JFADRP CC[N@H+](C)Cc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC([NH2+]C(C)C)CC2)c1 ZINC001295126697 1062942953 /nfs/dbraw/zinc/94/29/53/1062942953.db2.gz IICWESNAABYURN-JOCHJYFZSA-N 2 0 453.635 2.696 20 0 JFADRP CC(C)[N@@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001291066539 1063012547 /nfs/dbraw/zinc/01/25/47/1063012547.db2.gz PCQSCJCMGSUBJH-OFVILXPXSA-N 2 0 459.683 2.945 20 0 JFADRP CC(C)[NH2+]C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001291068599 1063016257 /nfs/dbraw/zinc/01/62/57/1063016257.db2.gz QACBZBIHJIRERT-NMMYMHLASA-N 2 0 480.723 2.658 20 0 JFADRP CC(C)C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001287741883 1063068739 /nfs/dbraw/zinc/06/87/39/1063068739.db2.gz OTXHUSUSWASGFQ-SZPZYZBQSA-N 2 0 461.699 2.952 20 0 JFADRP CC(C)C[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[NH+]2CCCC2)CC1 ZINC001287752287 1063079985 /nfs/dbraw/zinc/07/99/85/1063079985.db2.gz WXNDFDDGWVFVCI-UHFFFAOYSA-N 2 0 464.456 2.920 20 0 JFADRP CC(C)C[NH+]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCOCC[NH+](C)C)CC1 ZINC001287759535 1063085890 /nfs/dbraw/zinc/08/58/90/1063085890.db2.gz IDMKPJPZIVDLBM-UHFFFAOYSA-N 2 0 451.619 2.850 20 0 JFADRP CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC001291106643 1063093661 /nfs/dbraw/zinc/09/36/61/1063093661.db2.gz YQVADIWGVGVZKJ-RZUBCFFCSA-N 2 0 459.683 2.906 20 0 JFADRP CC(C)NC(=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001291123608 1063138377 /nfs/dbraw/zinc/13/83/77/1063138377.db2.gz NWXIVUZXDXNVDZ-FCHUYYIVSA-N 2 0 459.683 2.993 20 0 JFADRP CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001291144712 1063226786 /nfs/dbraw/zinc/22/67/86/1063226786.db2.gz TVHCKHIOSPBOTO-FYYLOGMGSA-N 2 0 494.750 2.857 20 0 JFADRP CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001295359507 1063320149 /nfs/dbraw/zinc/32/01/49/1063320149.db2.gz ZQXUOXILCAJIDL-NRFANRHFSA-N 2 0 455.651 2.859 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001295365832 1063328707 /nfs/dbraw/zinc/32/87/07/1063328707.db2.gz MQBGQIFVTVSKJM-HXUWFJFHSA-N 2 0 486.661 2.994 20 0 JFADRP CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001295366160 1063329531 /nfs/dbraw/zinc/32/95/31/1063329531.db2.gz NFSMQCUMCIHMTN-MOPGFXCFSA-N 2 0 462.664 2.609 20 0 JFADRP CC[NH+](CC)[C@@H](C)Cn1c(N2CC[NH+](C(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001295389664 1063367197 /nfs/dbraw/zinc/36/71/97/1063367197.db2.gz FSVUEAOHBSHJDB-RDPSFJRHSA-N 2 0 450.672 2.970 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001295460681 1063461486 /nfs/dbraw/zinc/46/14/86/1063461486.db2.gz JMLWRNWZNADDQT-QFIPXVFZSA-N 2 0 459.683 2.945 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001295474826 1063482947 /nfs/dbraw/zinc/48/29/47/1063482947.db2.gz HVOUQKSPDZXCGI-DHIUTWEWSA-N 2 0 486.709 2.950 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001295480032 1063489523 /nfs/dbraw/zinc/48/95/23/1063489523.db2.gz KKZCTQXKSPWGDI-ZCVJKFOLSA-N 2 0 480.723 2.750 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+]2CCc3sccc3C2)CC1 ZINC001295480535 1063491652 /nfs/dbraw/zinc/49/16/52/1063491652.db2.gz NTRBTPTXNYIJBL-UHFFFAOYSA-N 2 0 487.718 2.686 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C)n2CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001295481304 1063492628 /nfs/dbraw/zinc/49/26/28/1063492628.db2.gz ULINSYRUUPDUBO-WIOPSUGQSA-N 2 0 481.689 2.878 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001295482700 1063505012 /nfs/dbraw/zinc/50/50/12/1063505012.db2.gz XYHWMQNMZYCEIS-GOSISDBHSA-N 2 0 462.042 2.539 20 0 JFADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CC[N@H+](CC)C2)C1 ZINC001295506330 1063543116 /nfs/dbraw/zinc/54/31/16/1063543116.db2.gz JTUNNRSPMCIBSA-SFTDATJTSA-N 2 0 488.702 2.859 20 0 JFADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001295515808 1063550080 /nfs/dbraw/zinc/55/00/80/1063550080.db2.gz CEHRFESDJKNKGO-QHCPKHFHSA-N 2 0 469.678 2.667 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001295560742 1063594034 /nfs/dbraw/zinc/59/40/34/1063594034.db2.gz MVOUEHQGKDHDQQ-FGZHOGPDSA-N 2 0 456.683 2.619 20 0 JFADRP CC[N@H+](CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)CCC(F)(F)F ZINC001295839867 1063859198 /nfs/dbraw/zinc/85/91/98/1063859198.db2.gz ZKVAVSGPISDTGJ-SFHVURJKSA-N 2 0 469.556 2.706 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001295982086 1064033657 /nfs/dbraw/zinc/03/36/57/1064033657.db2.gz WIYAIGDCWUOZPS-HKBOAZHASA-N 2 0 468.650 2.966 20 0 JFADRP CC[C@H](C)c1nnc(N2C[C@@H](C)O[C@@H](COC)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001291473291 1064033861 /nfs/dbraw/zinc/03/38/61/1064033861.db2.gz CBHBLVXIQWEFEW-QZNHQXDQSA-N 2 0 471.650 2.639 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@H](C)[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC001295983171 1064037989 /nfs/dbraw/zinc/03/79/89/1064037989.db2.gz YOMJFHCIJOADGG-VABKMULXSA-N 2 0 496.704 2.546 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1C ZINC001295996206 1064052390 /nfs/dbraw/zinc/05/23/90/1064052390.db2.gz NAHMRJHQBGLKNL-PMACEKPBSA-N 2 0 466.634 2.586 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccco2)[NH+](C)C)C[C@@H]1C ZINC001296008760 1064061838 /nfs/dbraw/zinc/06/18/38/1064061838.db2.gz BJQUSAMNUZENOB-ACRUOGEOSA-N 2 0 454.623 2.955 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001296008816 1064062489 /nfs/dbraw/zinc/06/24/89/1064062489.db2.gz BPKRMYCXAWQLEG-AABGKKOBSA-N 2 0 473.691 2.920 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001296008819 1064062574 /nfs/dbraw/zinc/06/25/74/1064062574.db2.gz BPKRMYCXAWQLEG-AQNXPRMDSA-N 2 0 473.691 2.920 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001296010584 1064068607 /nfs/dbraw/zinc/06/86/07/1064068607.db2.gz QQTJSJNOVYULIP-MSOLQXFVSA-N 2 0 461.680 2.664 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@H](C2CCCCC2)[NH+](C)C)C[C@@H]1C ZINC001296011275 1064070669 /nfs/dbraw/zinc/07/06/69/1064070669.db2.gz UVDIKBFTZPTEDQ-JAXLGGSGSA-N 2 0 459.683 2.830 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCOC(C)C)C[C@@H]1C ZINC001296011358 1064071033 /nfs/dbraw/zinc/07/10/33/1064071033.db2.gz VEGDNXZMDUDKFP-ZEQRLZLVSA-N 2 0 483.705 2.987 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001296013580 1064074041 /nfs/dbraw/zinc/07/40/41/1064074041.db2.gz OEBRMOIGSFVZGX-FHEJEKGWSA-N 2 0 492.709 2.809 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2C[C@@H]2CCC[NH+]2CCCO)C[C@H]1C ZINC001296013856 1064074995 /nfs/dbraw/zinc/07/49/95/1064074995.db2.gz OUFKKQOBWFXDIH-HKBOAZHASA-N 2 0 474.625 2.762 20 0 JFADRP CC[C@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001291620522 1064159846 /nfs/dbraw/zinc/15/98/46/1064159846.db2.gz JWCKOQONOFTNBH-YDHSSHFGSA-N 2 0 450.697 2.918 20 0 JFADRP CC[C@@H](C)c1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001291626804 1064167773 /nfs/dbraw/zinc/16/77/73/1064167773.db2.gz AJCPDMNAAAIFNJ-ISKFKSNPSA-N 2 0 483.705 2.673 20 0 JFADRP C[NH+](C)CCOc1ccc(/C=C/C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cc1 ZINC001291640337 1064189518 /nfs/dbraw/zinc/18/95/18/1064189518.db2.gz DGZZXGAWNJQGDG-DHZHZOJOSA-N 2 0 450.583 2.976 20 0 JFADRP CC[C@H](C)c1nnc(N2CC[N@H+](CCOC)[C@H](C)C2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001291642586 1064191767 /nfs/dbraw/zinc/19/17/67/1064191767.db2.gz LPUHSATYTUDIJA-FCHUYYIVSA-N 2 0 484.693 2.534 20 0 JFADRP CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCC([NH2+]C(C)C)CC2)CC1 ZINC001296127606 1064221677 /nfs/dbraw/zinc/22/16/77/1064221677.db2.gz VLLYVLBHAYYGBY-OAQYLSRUSA-N 2 0 469.678 2.947 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001296130089 1064223805 /nfs/dbraw/zinc/22/38/05/1064223805.db2.gz BTHGKRKDSHIXFE-FQEVSTJZSA-N 2 0 488.750 2.970 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001296130803 1064224121 /nfs/dbraw/zinc/22/41/21/1064224121.db2.gz GGBAMMYHXFJOMS-NRFANRHFSA-N 2 0 456.683 2.620 20 0 JFADRP CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001296132796 1064232185 /nfs/dbraw/zinc/23/21/85/1064232185.db2.gz SAFXTISVWOIEHK-JOCHJYFZSA-N 2 0 468.694 2.985 20 0 JFADRP CC[C@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001291758909 1064238852 /nfs/dbraw/zinc/23/88/52/1064238852.db2.gz CJLDGQMPDMMEFL-PMACEKPBSA-N 2 0 454.623 2.720 20 0 JFADRP CC[C@@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001291762601 1064243907 /nfs/dbraw/zinc/24/39/07/1064243907.db2.gz YXOLBMRMNDIEAU-WOJBJXKFSA-N 2 0 454.623 2.720 20 0 JFADRP CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001291765700 1064246743 /nfs/dbraw/zinc/24/67/43/1064246743.db2.gz PIOUGDIGYHXALE-HXUWFJFHSA-N 2 0 480.665 2.962 20 0 JFADRP CC[C@H](C)[N@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001291766424 1064248201 /nfs/dbraw/zinc/24/82/01/1064248201.db2.gz CZVIVNYAYKQERY-FQEVSTJZSA-N 2 0 456.635 2.985 20 0 JFADRP CC[C@@H](C)[N@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001291772454 1064255836 /nfs/dbraw/zinc/25/58/36/1064255836.db2.gz ONYJFHZVVMKJNM-LJQANCHMSA-N 2 0 480.661 2.889 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001296148283 1064259434 /nfs/dbraw/zinc/25/94/34/1064259434.db2.gz VNRZXYXTLIKGHR-WOJBJXKFSA-N 2 0 454.623 2.578 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCC[NH+](C)CCOC)C[C@H]1C ZINC001296149065 1064261307 /nfs/dbraw/zinc/26/13/07/1064261307.db2.gz HQKMPLAYSQVKLW-HXUWFJFHSA-N 2 0 451.619 2.992 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[NH+]2CCSCC2)C[C@H]1C ZINC001296149017 1064261455 /nfs/dbraw/zinc/26/14/55/1064261455.db2.gz GFPSCBXAZMBVSL-GOSISDBHSA-N 2 0 460.648 2.542 20 0 JFADRP CC[C@H](C)[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC001291774667 1064263482 /nfs/dbraw/zinc/26/34/82/1064263482.db2.gz QBXLQCUTAUTNEX-RBBKRZOGSA-N 2 0 458.655 2.696 20 0 JFADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C[C@H]1C ZINC001296157456 1064269851 /nfs/dbraw/zinc/26/98/51/1064269851.db2.gz XPEWBLWBJDVOKV-DYXWJJEUSA-N 2 0 453.635 2.889 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC001296169223 1064292762 /nfs/dbraw/zinc/29/27/62/1064292762.db2.gz KTQSUULOZHABHU-FQEVSTJZSA-N 2 0 459.708 2.734 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001296173754 1064298632 /nfs/dbraw/zinc/29/86/32/1064298632.db2.gz LOLGXZLEFADZSQ-OAQYLSRUSA-N 2 0 486.661 2.631 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001296181582 1064316160 /nfs/dbraw/zinc/31/61/60/1064316160.db2.gz YCANLLUHZWZZFK-FGZHOGPDSA-N 2 0 454.667 2.595 20 0 JFADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc(COc4cccc(C)c4)n3CC(C)(C)C[NH+](C)C)C2)CC1 ZINC001296182183 1064321900 /nfs/dbraw/zinc/32/19/00/1064321900.db2.gz ORSALDOIYKZMHJ-HSZRJFAPSA-N 2 0 483.705 2.970 20 0 JFADRP CCN1CC[NH+](C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001296190690 1064340314 /nfs/dbraw/zinc/34/03/14/1064340314.db2.gz DUQZMJXRMQZZNI-PWRODBHTSA-N 2 0 488.750 2.826 20 0 JFADRP CCN1CC[NH+](CCCCn2c(Cc3ccccn3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001296205214 1064390133 /nfs/dbraw/zinc/39/01/33/1064390133.db2.gz YQYHCJQAFNMGDK-UHFFFAOYSA-N 2 0 468.694 2.602 20 0 JFADRP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[NH+](CC)C[C@@H]2C)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292019368 1064657699 /nfs/dbraw/zinc/65/76/99/1064657699.db2.gz DVKXMAWIBILEJV-XSDIEEQYSA-N 2 0 477.698 2.615 20 0 JFADRP CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2C)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001292097833 1064788788 /nfs/dbraw/zinc/78/87/88/1064788788.db2.gz UENBSXBNGCXMFT-HXUWFJFHSA-N 2 0 468.650 2.793 20 0 JFADRP CC[C@H](Cn1c(C(C)C)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1)[NH+]1CCCC1 ZINC001292162058 1064946899 /nfs/dbraw/zinc/94/68/99/1064946899.db2.gz IBDXXAPMTMFLCA-MZYLBHOOSA-N 2 0 459.683 2.655 20 0 JFADRP CC[C@@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[N@@H+](C(C)C)CC1)OC ZINC001292242384 1065024856 /nfs/dbraw/zinc/02/48/56/1065024856.db2.gz JWFRYEKMMDKTNO-VWLOTQADSA-N 2 0 483.705 2.988 20 0 JFADRP CCc1ccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[NH+](CC(C)C)CC2)[NH+](C)C)cc1 ZINC001292458445 1065182288 /nfs/dbraw/zinc/18/22/88/1065182288.db2.gz OWZUCTHQVIQGQN-PKTZIBPZSA-N 2 0 467.662 2.873 20 0 JFADRP CCc1ccccc1OCc1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001292616790 1065352224 /nfs/dbraw/zinc/35/22/24/1065352224.db2.gz XZEDZCBCGBSIRG-PKTZIBPZSA-N 2 0 483.705 2.976 20 0 JFADRP CCc1nnc(N2CCN(C[C@H]3C[NH+](C(C)C)CCO3)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001293131343 1065783133 /nfs/dbraw/zinc/78/31/33/1065783133.db2.gz OGQWJPZXRRQPTQ-ZEQRLZLVSA-N 2 0 475.726 2.726 20 0 JFADRP CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC001293560322 1066074590 /nfs/dbraw/zinc/07/45/90/1066074590.db2.gz JEIJEMKZENBGDH-RPWUZVMVSA-N 2 0 470.662 2.849 20 0 JFADRP CC[C@H]1CN(c2nnc(-c3ccccc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC001293560317 1066074665 /nfs/dbraw/zinc/07/46/65/1066074665.db2.gz JEIJEMKZENBGDH-BJKOFHAPSA-N 2 0 470.662 2.849 20 0 JFADRP CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@@]2([NH+](C)C)CCSC2)CC[N@@H+]1CCOC ZINC001293562579 1066075708 /nfs/dbraw/zinc/07/57/08/1066075708.db2.gz VFGWTTFEQOXRRS-QPPBQGQZSA-N 2 0 458.676 2.929 20 0 JFADRP CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC[NH+]2CCC(C)CC2)CC[N@@H+]1CCOC ZINC001293592611 1066098166 /nfs/dbraw/zinc/09/81/66/1066098166.db2.gz BVDBJTSNKUKMJC-DHIUTWEWSA-N 2 0 462.683 2.841 20 0 JFADRP CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2nnc(C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001293945632 1066437685 /nfs/dbraw/zinc/43/76/85/1066437685.db2.gz RDHACSSYXCKFDU-GGAORHGYSA-N 2 0 482.677 2.715 20 0 JFADRP CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCCCC2)CC[N@@H+]1CCOC ZINC001294076364 1066545428 /nfs/dbraw/zinc/54/54/28/1066545428.db2.gz JANBRLQHCVUQBL-OAQYLSRUSA-N 2 0 470.666 2.937 20 0 JFADRP CCC[C@H]1CN(c2nnc(-c3ccc[nH]3)n2C[C@@]2([NH+](C)C)CCSC2)CC[N@@H+]1CCOC ZINC001294077437 1066546848 /nfs/dbraw/zinc/54/68/48/1066546848.db2.gz PFIBYCQWSTWTMS-CVDCTZTESA-N 2 0 461.680 2.648 20 0 JFADRP COc1cc2cc[nH+]c(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c2cc1OC ZINC001164716517 720184706 /nfs/dbraw/zinc/18/47/06/720184706.db2.gz GIJJLRANIAMYDF-HXUWFJFHSA-N 2 0 452.559 2.597 20 0 JFADRP C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2)CC1 ZINC001164748180 720856295 /nfs/dbraw/zinc/85/62/95/720856295.db2.gz KWFPSXUYQURKGC-ZFGGDYGUSA-N 2 0 451.619 2.526 20 0 JFADRP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ccc(OC4CC[NH2+]CC4)nn2)C3)c1 ZINC001164747864 720915171 /nfs/dbraw/zinc/91/51/71/720915171.db2.gz DPFXXTBUBWDUGY-YIXXDRMTSA-N 2 0 478.641 2.758 20 0 JFADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(OCC3CC[NH2+]CC3)nn1)CC2 ZINC001164790606 721469810 /nfs/dbraw/zinc/46/98/10/721469810.db2.gz SCLKAPDDFNUPGK-HSZRJFAPSA-N 2 0 473.662 2.589 20 0 JFADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(OCC3CC[NH2+]CC3)nn1)CC2 ZINC001164790607 721470127 /nfs/dbraw/zinc/47/01/27/721470127.db2.gz SCLKAPDDFNUPGK-QHCPKHFHSA-N 2 0 473.662 2.589 20 0 JFADRP FC1(F)CCN(c2ccc(OCC3CC[NH2+]CC3)nn2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164913847 721733524 /nfs/dbraw/zinc/73/35/24/721733524.db2.gz YXZDJJIFJZGPAP-QHCPKHFHSA-N 2 0 458.557 2.988 20 0 JFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@]4(C3)COCCN(c3ncc(F)cn3)C4)c2)CC1 ZINC001164924206 721846561 /nfs/dbraw/zinc/84/65/61/721846561.db2.gz XGSZENCUNGRGOQ-XMMPIXPASA-N 2 0 456.566 2.607 20 0 JFADRP c1cc(C[N@H+]2CCOCC3(CCN(c4ccc(OCC5CC[NH2+]CC5)cn4)CC3)C2)ccn1 ZINC001164964382 722062456 /nfs/dbraw/zinc/06/24/56/722062456.db2.gz FYYVPELBTGPEGJ-UHFFFAOYSA-N 2 0 451.615 2.974 20 0 JFADRP CC(C)N(c1cccc(N2CC[NH+](C)CC2)n1)c1nc2c(cc1C(=O)NCC1CC1)CC[NH2+]CC2 ZINC001164997429 722220587 /nfs/dbraw/zinc/22/05/87/722220587.db2.gz DNNDERWTCPJLNK-UHFFFAOYSA-N 2 0 477.657 2.603 20 0 JFADRP Cc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)o1 ZINC001289600477 1061244781 /nfs/dbraw/zinc/24/47/81/1061244781.db2.gz MOJSLMOTFQYAIB-OAQYLSRUSA-N 2 0 471.650 2.567 20 0 JFADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](CC(C)C)[NH+](C)C)C[C@@H]2C)CC1 ZINC001286871172 1061270421 /nfs/dbraw/zinc/27/04/21/1061270421.db2.gz MQDMVGAKDHAEKA-ACIOBRDBSA-N 2 0 475.726 2.931 20 0 JFADRP CC(=O)N1CCC[NH+]([C@H]2CN(c3nnc(C(C)(C)C)n3CCC[N@@H+](C)C(C)C)C[C@@H]2C)CC1 ZINC001286871689 1061273582 /nfs/dbraw/zinc/27/35/82/1061273582.db2.gz OWEGEUNXBXUNJX-UNMCSNQZSA-N 2 0 461.699 2.685 20 0 JFADRP Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1C ZINC001289743327 1061359988 /nfs/dbraw/zinc/35/99/88/1061359988.db2.gz NSKDGFMZBUOGHP-DEOSSOPVSA-N 2 0 497.688 2.772 20 0 JFADRP Cc1cccc(-c2nnc(N3CCC[N@H+](Cc4ccccc4)CC3)n2CCOCC[NH+](C)C)n1 ZINC001289974001 1061686408 /nfs/dbraw/zinc/68/64/08/1061686408.db2.gz XXHCOKLESHXHLE-UHFFFAOYSA-N 2 0 463.630 2.939 20 0 JFADRP CCCC[N@@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001294317258 1061813953 /nfs/dbraw/zinc/81/39/53/1061813953.db2.gz KLZHLXUZGXJKFT-QFIPXVFZSA-N 2 0 459.683 2.976 20 0 JFADRP Cc1ccccc1Cc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@H](C)[NH+](C)C ZINC001290164729 1061905927 /nfs/dbraw/zinc/90/59/27/1061905927.db2.gz WGBHYSOKDHGDNA-UPVQGACJSA-N 2 0 453.679 2.732 20 0 JFADRP Cc1ccccc1Cc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@@H](C)[NH+](C)C ZINC001290164730 1061905949 /nfs/dbraw/zinc/90/59/49/1061905949.db2.gz WGBHYSOKDHGDNA-VWNXMTODSA-N 2 0 453.679 2.732 20 0 JFADRP Cc1ccccc1Cc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@@H](C)[NH+](C)C ZINC001290164726 1061906143 /nfs/dbraw/zinc/90/61/43/1061906143.db2.gz WGBHYSOKDHGDNA-ISKFKSNPSA-N 2 0 453.679 2.732 20 0 JFADRP CC(C)(C)c1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1CC[NH+]1CCSCC1 ZINC001287010569 1061941579 /nfs/dbraw/zinc/94/15/79/1061941579.db2.gz MLRZQYVIZKNKHQ-UHFFFAOYSA-N 2 0 478.629 2.715 20 0 JFADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001294467590 1062016871 /nfs/dbraw/zinc/01/68/71/1062016871.db2.gz HTNHWVXTZAHEIJ-PMVMPFDFSA-N 2 0 494.750 2.859 20 0 JFADRP CCC[N@H+](CC)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001294524142 1062061572 /nfs/dbraw/zinc/06/15/72/1062061572.db2.gz MRIJIPDIFNJVDD-UHFFFAOYSA-N 2 0 466.638 2.573 20 0 JFADRP CCC[N@H+](CC)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC001294527087 1062063065 /nfs/dbraw/zinc/06/30/65/1062063065.db2.gz LUOFYSKWEUVNRR-MOPGFXCFSA-N 2 0 459.664 2.674 20 0 JFADRP Cc1nc(Cc2nnc(N(C)CC[NH+]3CCN(c4ccccc4)CC3)n2C[C@@H](C)[NH+](C)C)cs1 ZINC001290400995 1062104342 /nfs/dbraw/zinc/10/43/42/1062104342.db2.gz JIFQHUGOMMGLIL-HXUWFJFHSA-N 2 0 482.702 2.842 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001294675600 1062236755 /nfs/dbraw/zinc/23/67/55/1062236755.db2.gz LBHLXVGCDPFAMK-CLOONOSVSA-N 2 0 474.625 2.934 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001294682894 1062241458 /nfs/dbraw/zinc/24/14/58/1062241458.db2.gz KDHODSWMULYJDR-FQEVSTJZSA-N 2 0 480.723 2.755 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001294683128 1062242409 /nfs/dbraw/zinc/24/24/09/1062242409.db2.gz LWNLTFLZDWVAFP-HXUWFJFHSA-N 2 0 469.682 2.713 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc(-c3ccc[nH]3)n2CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC001294684349 1062243598 /nfs/dbraw/zinc/24/35/98/1062243598.db2.gz OUYPLVBHKUYIEW-UHFFFAOYSA-N 2 0 456.683 2.857 20 0 JFADRP Cc1cc(C)n(Cc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CC[NH+]2CCSCC2)n1 ZINC001290625463 1062495308 /nfs/dbraw/zinc/49/53/08/1062495308.db2.gz LGCKLPRVKYWKIJ-UHFFFAOYSA-N 2 0 474.723 2.745 20 0 JFADRP Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](Cc4ccccc4)CC3)n2C[C@@H](C)[NH+](C)C)n1 ZINC001290639116 1062523006 /nfs/dbraw/zinc/52/30/06/1062523006.db2.gz HGYKHRREOJNKFD-JOCHJYFZSA-N 2 0 450.635 2.802 20 0 JFADRP Cc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001290769746 1062685384 /nfs/dbraw/zinc/68/53/84/1062685384.db2.gz KZRLJAKFWCNSJO-OAQYLSRUSA-N 2 0 473.710 2.916 20 0 JFADRP CC(C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001287222392 1062708244 /nfs/dbraw/zinc/70/82/44/1062708244.db2.gz CYENPEUJGLODCD-QHCPKHFHSA-N 2 0 475.726 2.897 20 0 JFADRP Cc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001290867401 1062749573 /nfs/dbraw/zinc/74/95/73/1062749573.db2.gz NPUWFJOMKCKEIQ-UHFFFAOYSA-N 2 0 483.705 2.960 20 0 JFADRP Cc1nnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1C[C@H]1[NH+](C)CCCC1(C)C ZINC001290877395 1062762186 /nfs/dbraw/zinc/76/21/86/1062762186.db2.gz VRZCGRCMHYJMKH-XMMPIXPASA-N 2 0 453.679 2.961 20 0 JFADRP CC(C)C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CC[NH+](C2CCOCC2)CC1)[NH+](C)C ZINC001287334335 1062811731 /nfs/dbraw/zinc/81/17/31/1062811731.db2.gz QYHPANDOMULCIK-QHCPKHFHSA-N 2 0 455.651 2.541 20 0 JFADRP CC(C)C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1)[NH+](C)C ZINC001287338900 1062815997 /nfs/dbraw/zinc/81/59/97/1062815997.db2.gz PEZIWKZPSQCLMM-VXKWHMMOSA-N 2 0 459.683 2.689 20 0 JFADRP CC(C)C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1)[NH+](C)C ZINC001287338901 1062816090 /nfs/dbraw/zinc/81/60/90/1062816090.db2.gz PEZIWKZPSQCLMM-YADHBBJMSA-N 2 0 459.683 2.689 20 0 JFADRP CC[N@H+](C)Cc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC([NH2+]C(C)C)CC2)c1 ZINC001295126698 1062942904 /nfs/dbraw/zinc/94/29/04/1062942904.db2.gz IICWESNAABYURN-QFIPXVFZSA-N 2 0 453.635 2.696 20 0 JFADRP CC(C)C[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001287748005 1063071423 /nfs/dbraw/zinc/07/14/23/1063071423.db2.gz CYMUWXADPUXHQV-XMMPIXPASA-N 2 0 450.672 2.685 20 0 JFADRP CC(C)C[NH+]1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC[N@H+](C)C(C)C)CC1 ZINC001287759675 1063085963 /nfs/dbraw/zinc/08/59/63/1063085963.db2.gz DLKPSTYMWKDZPT-UHFFFAOYSA-N 2 0 452.607 2.712 20 0 JFADRP CC(C)NC(=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001291123610 1063138356 /nfs/dbraw/zinc/13/83/56/1063138356.db2.gz NWXIVUZXDXNVDZ-VXKWHMMOSA-N 2 0 459.683 2.993 20 0 JFADRP C[C@H]1CCC[N@H+](CCn2c(-c3cnn(C)c3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC001291128496 1063164016 /nfs/dbraw/zinc/16/40/16/1063164016.db2.gz YDESSBPYSKZSLF-IBGZPJMESA-N 2 0 498.598 2.502 20 0 JFADRP CC(C)[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001291142933 1063220563 /nfs/dbraw/zinc/22/05/63/1063220563.db2.gz OJUOYNUVWOGWCD-OAQYLSRUSA-N 2 0 488.702 2.999 20 0 JFADRP C[C@H]1C[NH+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC001291187970 1063299752 /nfs/dbraw/zinc/29/97/52/1063299752.db2.gz BZBWOLHIZUFSBR-SFTDATJTSA-N 2 0 489.709 2.599 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001295358399 1063315315 /nfs/dbraw/zinc/31/53/15/1063315315.db2.gz JNGQTGZKAYQQST-JOCHJYFZSA-N 2 0 467.662 2.875 20 0 JFADRP CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001295359458 1063319584 /nfs/dbraw/zinc/31/95/84/1063319584.db2.gz YRHUIFGBOAVLTL-ACIOBRDBSA-N 2 0 467.662 2.715 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001295359459 1063320051 /nfs/dbraw/zinc/32/00/51/1063320051.db2.gz YRHUIFGBOAVLTL-MZYLBHOOSA-N 2 0 467.662 2.715 20 0 JFADRP CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001295366161 1063329475 /nfs/dbraw/zinc/32/94/75/1063329475.db2.gz NFSMQCUMCIHMTN-OALUTQOASA-N 2 0 462.664 2.609 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001295367030 1063331156 /nfs/dbraw/zinc/33/11/56/1063331156.db2.gz RVYVTCGWCWRPIH-VAMGGRTRSA-N 2 0 476.691 2.998 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001295383914 1063357839 /nfs/dbraw/zinc/35/78/39/1063357839.db2.gz CZWCFHKWFSOBRL-SMIHKQSGSA-N 2 0 483.705 2.987 20 0 JFADRP CC(C)O[C@]1(c2nnc(N3CC[NH+](C4CCC4)C[C@H](C)C3)n2CC[N@H+](C)C(C)C)CCOC1 ZINC001291210210 1063386779 /nfs/dbraw/zinc/38/67/79/1063386779.db2.gz YBLKAOJDMPUSBF-SQJMNOBHSA-N 2 0 462.683 2.970 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001295465503 1063470217 /nfs/dbraw/zinc/47/02/17/1063470217.db2.gz XTPOUPZUSAHMMN-DEOSSOPVSA-N 2 0 477.053 2.984 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001295474748 1063483122 /nfs/dbraw/zinc/48/31/22/1063483122.db2.gz GQNFWOLWFFQRCY-RUZDIDTESA-N 2 0 456.635 2.543 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001295475315 1063484714 /nfs/dbraw/zinc/48/47/14/1063484714.db2.gz RTNCKHFSZWLWEL-NRFANRHFSA-N 2 0 459.683 2.833 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001295482603 1063502755 /nfs/dbraw/zinc/50/27/55/1063502755.db2.gz URYPQQYGCPPPOX-WXVAWEFUSA-N 2 0 496.704 2.841 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC3CC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001295490923 1063519345 /nfs/dbraw/zinc/51/93/45/1063519345.db2.gz JJTFRPWVGHBUEA-SZPZYZBQSA-N 2 0 487.737 2.978 20 0 JFADRP CC[NH+](CC)Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[NH+](C(C)C)CC2)cc1 ZINC001295494376 1063529450 /nfs/dbraw/zinc/52/94/50/1063529450.db2.gz ODDOQZXDILPLSA-UHFFFAOYSA-N 2 0 467.662 2.935 20 0 JFADRP CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001295502662 1063537080 /nfs/dbraw/zinc/53/70/80/1063537080.db2.gz GUGPZURPVYLQQA-OAQYLSRUSA-N 2 0 459.683 2.947 20 0 JFADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001295503271 1063538539 /nfs/dbraw/zinc/53/85/39/1063538539.db2.gz KROJHAKPGDMHDV-YADHBBJMSA-N 2 0 459.683 2.947 20 0 JFADRP CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001295523831 1063561000 /nfs/dbraw/zinc/56/10/00/1063561000.db2.gz ZSJBBDLVFWIKHB-SZPZYZBQSA-N 2 0 489.709 2.572 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(-c2ccccn2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001295560299 1063593426 /nfs/dbraw/zinc/59/34/26/1063593426.db2.gz KGDNRDPEQADWEK-ZJSXRUAMSA-N 2 0 463.630 2.926 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001295561452 1063594945 /nfs/dbraw/zinc/59/49/45/1063594945.db2.gz UXQHEBYJUIIGOH-HXUWFJFHSA-N 2 0 471.625 2.559 20 0 JFADRP CC[N@H+](CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)CCC(F)(F)F ZINC001295839866 1063859043 /nfs/dbraw/zinc/85/90/43/1063859043.db2.gz ZKVAVSGPISDTGJ-GOSISDBHSA-N 2 0 469.556 2.706 20 0 JFADRP CC[N@H+](CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[NH+](C(C)C)CC1)C(C)C ZINC001295842304 1063862237 /nfs/dbraw/zinc/86/22/37/1063862237.db2.gz VBYMJPRKJMLWDW-UHFFFAOYSA-N 2 0 490.722 2.889 20 0 JFADRP CC[N@H+](CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)C(C)C ZINC001295853877 1063881592 /nfs/dbraw/zinc/88/15/92/1063881592.db2.gz BFPMIUFXWBQUFK-DEOSSOPVSA-N 2 0 481.689 2.650 20 0 JFADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCC[NH+]2CCCCC2)C[C@H]1C ZINC001295975245 1064018799 /nfs/dbraw/zinc/01/87/99/1064018799.db2.gz BHYDVERGVCEFJD-WOJBJXKFSA-N 2 0 454.623 2.720 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](CC(C)C)[NH+](C)C)C[C@H]1C ZINC001295978632 1064025423 /nfs/dbraw/zinc/02/54/23/1064025423.db2.gz MXKOKQWMUSEGHX-AABGKKOBSA-N 2 0 456.639 2.821 20 0 JFADRP CC[C@@H](C)c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001291502303 1064052767 /nfs/dbraw/zinc/05/27/67/1064052767.db2.gz FGMJORGZYADKFI-AUSIDOKSSA-N 2 0 450.697 2.778 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001296003436 1064058999 /nfs/dbraw/zinc/05/89/99/1064058999.db2.gz UEWGTFFORHWLSD-VXKWHMMOSA-N 2 0 454.663 2.943 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001296008353 1064061769 /nfs/dbraw/zinc/06/17/69/1064061769.db2.gz GYXXXSIRGFPKLJ-QNWVGRARSA-N 2 0 455.651 2.540 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccco2)[NH+](C)C)C[C@@H]1C ZINC001296008787 1064061946 /nfs/dbraw/zinc/06/19/46/1064061946.db2.gz BJQUSAMNUZENOB-PCCBWWKXSA-N 2 0 454.623 2.955 20 0 JFADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@H]1C ZINC001296011469 1064071626 /nfs/dbraw/zinc/07/16/26/1064071626.db2.gz PNPQAZTWYBDXQL-FGZHOGPDSA-N 2 0 486.709 2.948 20 0 JFADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC2CC[NH+](CC)CC2)C1 ZINC001296019232 1064081099 /nfs/dbraw/zinc/08/10/99/1064081099.db2.gz WBXYDMDZRCMJNT-QFIPXVFZSA-N 2 0 459.683 2.804 20 0 JFADRP CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC2CC[NH+](CC)CC2)C1 ZINC001296019231 1064081117 /nfs/dbraw/zinc/08/11/17/1064081117.db2.gz WBXYDMDZRCMJNT-JOCHJYFZSA-N 2 0 459.683 2.804 20 0 JFADRP CC[NH+]1CCC(CCn2c(C)nnc2N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC001296021096 1064082016 /nfs/dbraw/zinc/08/20/16/1064082016.db2.gz FNWINZBIIFDJGH-UHFFFAOYSA-N 2 0 453.679 2.963 20 0 JFADRP CC[N@@H+]1CC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[NH+](CC)[C@H](C)C2)C1 ZINC001296033723 1064092240 /nfs/dbraw/zinc/09/22/40/1064092240.db2.gz NUBVRHADRWUTGP-UYAOXDASSA-N 2 0 474.053 2.734 20 0 JFADRP CC[C@@H](C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001291582836 1064114879 /nfs/dbraw/zinc/11/48/79/1064114879.db2.gz MTLOLDRGGADDGC-OAQYLSRUSA-N 2 0 459.683 2.801 20 0 JFADRP CC[C@H](C)c1nnc(N2CC[NH+](C3CCOCC3)C[C@@H]2C)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001291620252 1064158814 /nfs/dbraw/zinc/15/88/14/1064158814.db2.gz HXWCTLNHABTDGH-SFTDATJTSA-N 2 0 461.699 2.507 20 0 JFADRP CC[C@@H](C)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001291629212 1064173437 /nfs/dbraw/zinc/17/34/37/1064173437.db2.gz ILDQYOUTUVZNGR-VWNXMTODSA-N 2 0 484.689 2.883 20 0 JFADRP CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001296132228 1064228881 /nfs/dbraw/zinc/22/88/81/1064228881.db2.gz RYHRQAJAZKMLRE-OAQYLSRUSA-N 2 0 459.708 2.877 20 0 JFADRP CC[NH+]1CCN([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001296134829 1064237218 /nfs/dbraw/zinc/23/72/18/1064237218.db2.gz QZMWDKHIKFKBHZ-YTFSRNRJSA-N 2 0 499.704 2.811 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H](C)[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001296137473 1064243765 /nfs/dbraw/zinc/24/37/65/1064243765.db2.gz PJBAEJZSCOHETQ-LEWJYISDSA-N 2 0 455.651 2.857 20 0 JFADRP CC[C@H](C)[N@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001291766675 1064248035 /nfs/dbraw/zinc/24/80/35/1064248035.db2.gz DYLLLMPHPFGVFX-LEWJYISDSA-N 2 0 456.635 2.985 20 0 JFADRP CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001291771441 1064254342 /nfs/dbraw/zinc/25/43/42/1064254342.db2.gz FMEXBUVEWHISHV-NRFANRHFSA-N 2 0 455.651 2.927 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001296145090 1064254889 /nfs/dbraw/zinc/25/48/89/1064254889.db2.gz LIRRBWCIKIVCRP-LEWJYISDSA-N 2 0 468.650 2.968 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001296145921 1064256347 /nfs/dbraw/zinc/25/63/47/1064256347.db2.gz HCXSTCTXFFGCJB-LJQANCHMSA-N 2 0 472.634 2.604 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001296148725 1064260757 /nfs/dbraw/zinc/26/07/57/1064260757.db2.gz ZUIWDRGCPDWHKZ-OFNKIYASSA-N 2 0 456.635 2.841 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[NH+]2CCCO[C@H](C)C2)C[C@@H]1C ZINC001296148610 1064260781 /nfs/dbraw/zinc/26/07/81/1064260781.db2.gz AEVXXAFVMKBNHK-LEWJYISDSA-N 2 0 486.661 2.994 20 0 JFADRP CC[C@H](C)[N@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001291774021 1064261272 /nfs/dbraw/zinc/26/12/72/1064261272.db2.gz WQTZUZMBPOJHJX-IBGZPJMESA-N 2 0 480.661 2.843 20 0 JFADRP CC[N@@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCC[C@@H]2C)C[C@@H]1C ZINC001296156936 1064269034 /nfs/dbraw/zinc/26/90/34/1064269034.db2.gz DDPPLTVYGATLOE-ACRUOGEOSA-N 2 0 491.681 2.601 20 0 JFADRP CC[C@H](C)[N@H+](C)CCn1c(Cc2cccnc2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001291782475 1064271777 /nfs/dbraw/zinc/27/17/77/1064271777.db2.gz PGPILCHCQHTZMV-UPVQGACJSA-N 2 0 468.694 2.599 20 0 JFADRP CC[C@@H](C)[N@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+]2CCCC[C@H]2C1 ZINC001291783414 1064276545 /nfs/dbraw/zinc/27/65/45/1064276545.db2.gz LHQSFXNWECAYAK-MOPGFXCFSA-N 2 0 459.664 2.674 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(Cc3ccccc3C)n2CC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC001296163215 1064276564 /nfs/dbraw/zinc/27/65/64/1064276564.db2.gz RYHPANOYUNZNRJ-QHCPKHFHSA-N 2 0 467.706 2.981 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC001296162832 1064276648 /nfs/dbraw/zinc/27/66/48/1064276648.db2.gz PXZOMKDUIOLBPQ-NRFANRHFSA-N 2 0 471.669 2.812 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001296167877 1064290772 /nfs/dbraw/zinc/29/07/72/1064290772.db2.gz VHXJMGUGQLQJLQ-LADGPHEKSA-N 2 0 470.662 2.787 20 0 JFADRP CC[N@@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCC[NH+](CC(C)C)C2)C[C@H]1C ZINC001296173696 1064298112 /nfs/dbraw/zinc/29/81/12/1064298112.db2.gz KCVVBAZKZZAYOO-LUKWVAJMSA-N 2 0 462.683 2.901 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001296175240 1064303759 /nfs/dbraw/zinc/30/37/59/1064303759.db2.gz VUQAHJHTMAXAQW-FQEVSTJZSA-N 2 0 472.634 2.507 20 0 JFADRP CCN1CC[NH+](C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001296190688 1064339530 /nfs/dbraw/zinc/33/95/30/1064339530.db2.gz DUQZMJXRMQZZNI-PCCBWWKXSA-N 2 0 488.750 2.826 20 0 JFADRP CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001296193724 1064352571 /nfs/dbraw/zinc/35/25/71/1064352571.db2.gz PPKHTULIPOEQKM-HXUWFJFHSA-N 2 0 488.750 2.828 20 0 JFADRP CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001296195664 1064362493 /nfs/dbraw/zinc/36/24/93/1064362493.db2.gz WXWZCXUVRKBLFF-XZOQPEGZSA-N 2 0 461.699 2.714 20 0 JFADRP CCN1CC[NH+](CCCCn2c(-c3cccc(OC)c3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001296197106 1064372636 /nfs/dbraw/zinc/37/26/36/1064372636.db2.gz UBFKTXBANDNZGM-UHFFFAOYSA-N 2 0 469.678 2.902 20 0 JFADRP CCN1CC[NH+](CCCn2c(-c3cccc(OC)c3)nnc2N2CCC([NH2+]C(C)C)CC2)CC1 ZINC001296206366 1064395456 /nfs/dbraw/zinc/39/54/56/1064395456.db2.gz OQFGKYICUVDAQD-UHFFFAOYSA-N 2 0 469.678 2.948 20 0 JFADRP CC[C@H](c1nnc(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)n1CC[N@H+](C)C(C)C)c1ccccc1 ZINC001291888801 1064513067 /nfs/dbraw/zinc/51/30/67/1064513067.db2.gz RGLZEQDUZHZWFK-BJKOFHAPSA-N 2 0 481.689 2.903 20 0 JFADRP Cc1cccc(N2CC[NH+](CCC(=O)NCc3ccccc3C[N@@H+]3CCC[C@@H]3CO)CC2)c1 ZINC001296281098 1064552304 /nfs/dbraw/zinc/55/23/04/1064552304.db2.gz SNZYQWAFQCTPJI-AREMUKBSSA-N 2 0 450.627 2.780 20 0 JFADRP CCC(CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC001291973625 1064588278 /nfs/dbraw/zinc/58/82/78/1064588278.db2.gz IDRJQRWCQCDIGW-YADHBBJMSA-N 2 0 459.683 2.832 20 0 JFADRP CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2C)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001292097831 1064788899 /nfs/dbraw/zinc/78/88/99/1064788899.db2.gz UENBSXBNGCXMFT-FQEVSTJZSA-N 2 0 468.650 2.793 20 0 JFADRP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001292124029 1064864068 /nfs/dbraw/zinc/86/40/68/1064864068.db2.gz DDURYVUYIXLEMN-UHFFFAOYSA-N 2 0 489.709 2.620 20 0 JFADRP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001292126462 1064875665 /nfs/dbraw/zinc/87/56/65/1064875665.db2.gz RGPZKZKWWWFLPT-UHFFFAOYSA-N 2 0 489.709 2.760 20 0 JFADRP CCc1nnc(N2C[C@@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001292893142 1065592521 /nfs/dbraw/zinc/59/25/21/1065592521.db2.gz LHSSXWWGVIHIAJ-RCZVLFRGSA-N 2 0 487.737 2.978 20 0 JFADRP CCc1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001292894341 1065595502 /nfs/dbraw/zinc/59/55/02/1065595502.db2.gz WXWWLHBFPJWCLV-IGKWTDBASA-N 2 0 485.652 2.661 20 0 JFADRP CCc1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001292894372 1065595812 /nfs/dbraw/zinc/59/58/12/1065595812.db2.gz XGNUJDGLIJFDTG-KHUIQGCPSA-N 2 0 487.737 2.976 20 0 JFADRP CCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001293117119 1065764348 /nfs/dbraw/zinc/76/43/48/1065764348.db2.gz WTQQOHBBXVLLQP-FQEVSTJZSA-N 2 0 456.635 2.519 20 0 JFADRP CCc1nnc(N2CC[NH+](Cc3ccccc3C)CC2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001293128116 1065779112 /nfs/dbraw/zinc/77/91/12/1065779112.db2.gz JWNSGYDAXIMYJT-JOCHJYFZSA-N 2 0 453.679 2.745 20 0 JFADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)cc1 ZINC001293203497 1065830989 /nfs/dbraw/zinc/83/09/89/1065830989.db2.gz JOXSACLUFNZHJM-BDYUSTAISA-N 2 0 451.611 2.824 20 0 JFADRP CC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CC2([NH+](C)C)CCOCC2)CC[N@@H+]1CCOC ZINC001293563439 1066076725 /nfs/dbraw/zinc/07/67/25/1066076725.db2.gz AKVNYRMEOWRBBK-JOCHJYFZSA-N 2 0 470.662 2.911 20 0 JFADRP CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2CC2([NH+](C)C)CCC2)CC[N@@H+]1CCOC ZINC001293569141 1066081440 /nfs/dbraw/zinc/08/14/40/1066081440.db2.gz UPSBIAIPHKKATH-HXUWFJFHSA-N 2 0 456.635 2.985 20 0 JFADRP CC[C@@H]1CN(c2nnc(C3CCCC3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001293588196 1066096719 /nfs/dbraw/zinc/09/67/19/1066096719.db2.gz USFTYVHLSULDRO-QNWVGRARSA-N 2 0 462.683 2.982 20 0 JFADRP CC[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@]2([NH+](C)C)CCSC2)CC[N@@H+]1CCOC ZINC001293624121 1066140173 /nfs/dbraw/zinc/14/01/73/1066140173.db2.gz VCNHIZYLQKGIDR-ZJSXRUAMSA-N 2 0 464.724 2.995 20 0 JFADRP CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CC[NH+]2CC=CCC2)CC[N@@H+]1CCOC ZINC001294086899 1066558393 /nfs/dbraw/zinc/55/83/93/1066558393.db2.gz ZWYOXEKYWCGLHE-QFIPXVFZSA-N 2 0 453.635 2.848 20 0 JFADRP O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCOCC34C[NH2+]C4)c21 ZINC001164402123 718860408 /nfs/dbraw/zinc/86/04/08/718860408.db2.gz IUSZCZKQOFUUNJ-UHFFFAOYSA-N 2 0 454.958 2.575 20 0 JFADRP CC(C)N(C)Cc1nn(-c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@H](CO)C2)c2c1CC[NH2+]C2 ZINC001164681796 719632188 /nfs/dbraw/zinc/63/21/88/719632188.db2.gz KPRKTWGAIHCOIC-IBGZPJMESA-N 2 0 497.688 2.552 20 0 JFADRP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(N4CC[NH2+]CC4)cn3)CC2)c2ccccc21 ZINC001164681932 719674024 /nfs/dbraw/zinc/67/40/24/719674024.db2.gz OLTHYTSCQIRNQK-QFIPXVFZSA-N 2 0 476.669 2.585 20 0 JFADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(OCC3CC[NH2+]CC3)nn1)CC2 ZINC001164710796 720151587 /nfs/dbraw/zinc/15/15/87/720151587.db2.gz CSTQCYYNFYZIIT-HSZRJFAPSA-N 2 0 466.630 2.758 20 0 JFADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3[nH+]c(N4CCCC4)cc4ccccc43)CC2)C1 ZINC001164875786 721287294 /nfs/dbraw/zinc/28/72/94/721287294.db2.gz GSYYJXWEDWKFMW-UHFFFAOYSA-N 2 0 451.615 2.842 20 0 JFADRP COC(=O)c1cc2c(nc1N1CCCC1)CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001164776680 721308573 /nfs/dbraw/zinc/30/85/73/721308573.db2.gz OLDVXOJFWVWWKB-UHFFFAOYSA-N 2 0 465.598 2.942 20 0 JFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4COC[C@@H](CC(=O)N5CCC(F)CC5)[C@@H]4C3)c2)CC1 ZINC001164895126 721479205 /nfs/dbraw/zinc/47/92/05/721479205.db2.gz RBUMXXQQELTONZ-PWHSHALESA-N 2 0 460.594 2.604 20 0 JFADRP Cc1cccc(CN2CCO[C@H]3CN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)CC[C@H]3C2=O)n1 ZINC001164800820 721603222 /nfs/dbraw/zinc/60/32/22/721603222.db2.gz OQXCCILHDCREMC-RPWUZVMVSA-N 2 0 465.598 2.512 20 0 JFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4OCC[C@H](C(=O)NCCc5ccncc5)[C@@H]4C3)c2)CC1 ZINC001165012818 721754205 /nfs/dbraw/zinc/75/42/05/721754205.db2.gz HKCDOTADYQWMHM-SDHOMARFSA-N 2 0 479.625 2.540 20 0 JFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@]4(c5ccccc5)CCN(S(C)(=O)=O)[C@@H]4C3)c2)CC1 ZINC001164992005 722187275 /nfs/dbraw/zinc/18/72/75/722187275.db2.gz RHWDRYYGUZJIRX-ILBGXUMGSA-N 2 0 470.639 2.737 20 0 JFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@]4(CC(=O)N(c5ccc6c(c5)OCO6)C4)C3)c2)CC1 ZINC001164998990 722220421 /nfs/dbraw/zinc/22/04/21/722220421.db2.gz NRXGXNXNDPMABM-RUZDIDTESA-N 2 0 450.539 2.917 20 0 JFADRP Cc1ccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)n2CC[NH+](C(C)C)C(C)C)o1 ZINC001289595807 1061239530 /nfs/dbraw/zinc/23/95/30/1061239530.db2.gz RLQHOQCNSIVAAE-NRFANRHFSA-N 2 0 471.650 2.708 20 0 JFADRP Cc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CC2CC[NH+](CCN(C)C)CC2)o1 ZINC001289599675 1061243382 /nfs/dbraw/zinc/24/33/82/1061243382.db2.gz CPSDAYYXCBPELG-UHFFFAOYSA-N 2 0 457.667 2.898 20 0 JFADRP Cc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)o1 ZINC001289600476 1061244699 /nfs/dbraw/zinc/24/46/99/1061244699.db2.gz MOJSLMOTFQYAIB-NRFANRHFSA-N 2 0 471.650 2.567 20 0 JFADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(C)C)n3CC[NH+]3CCC[C@@H](C)C3)C[C@H]2C)CC1 ZINC001286869916 1061263622 /nfs/dbraw/zinc/26/36/22/1061263622.db2.gz GQKXPWKBXIUUTK-MQSCRBSSSA-N 2 0 459.683 2.512 20 0 JFADRP CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(-c4ccccn4)n3CC[NH+](C(C)C)C(C)C)C[C@H]2C)CC1 ZINC001286870300 1061265301 /nfs/dbraw/zinc/26/53/01/1061265301.db2.gz IPMUTQYBLQHSKQ-RDGATRHJSA-N 2 0 496.704 2.838 20 0 JFADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(C)C)n3CC[NH+](C)C3CCCC3)C[C@@H]2C)CC1 ZINC001286872781 1061281116 /nfs/dbraw/zinc/28/11/16/1061281116.db2.gz XWXRCYBBXLLCDB-NZQKXSOJSA-N 2 0 459.683 2.655 20 0 JFADRP Cc1ccc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@@]2(O)CC[NH+](C)C2)cc1 ZINC001289798814 1061432644 /nfs/dbraw/zinc/43/26/44/1061432644.db2.gz AEZONRARJBFRNZ-AREMUKBSSA-N 2 0 470.662 2.789 20 0 JFADRP CCCC[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001294226270 1061738984 /nfs/dbraw/zinc/73/89/84/1061738984.db2.gz RNNJPIOOIDLVKY-DHIUTWEWSA-N 2 0 494.750 2.860 20 0 JFADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@]2(O)CC[NH+](C)C2)C1 ZINC001294460567 1062008210 /nfs/dbraw/zinc/00/82/10/1062008210.db2.gz GSGSQUPXRMOHQI-JPYJTQIMSA-N 2 0 491.478 2.942 20 0 JFADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](C)[NH+](C)C)C1 ZINC001294467547 1062016164 /nfs/dbraw/zinc/01/61/64/1062016164.db2.gz GUSUQKFCJMXGFB-SFTDATJTSA-N 2 0 469.682 2.570 20 0 JFADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001294467589 1062016744 /nfs/dbraw/zinc/01/67/44/1062016744.db2.gz HTNHWVXTZAHEIJ-MDNUFGMLSA-N 2 0 494.750 2.859 20 0 JFADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001294467591 1062017097 /nfs/dbraw/zinc/01/70/97/1062017097.db2.gz HTNHWVXTZAHEIJ-WWNPGLIZSA-N 2 0 494.750 2.859 20 0 JFADRP CC(C)(C)[N@@H+]1CCCN(c2nnc(Cc3ccccn3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001287046522 1062029526 /nfs/dbraw/zinc/02/95/26/1062029526.db2.gz SPMVHBFIXVXQQA-UHFFFAOYSA-N 2 0 455.651 2.687 20 0 JFADRP CCC[N@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294505786 1062042446 /nfs/dbraw/zinc/04/24/46/1062042446.db2.gz MZXGICLDLMOMGX-SZPZYZBQSA-N 2 0 489.709 2.572 20 0 JFADRP CCC[N@H+](CC)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001294515620 1062052165 /nfs/dbraw/zinc/05/21/65/1062052165.db2.gz IRZLMIWEVAOHTM-JOCHJYFZSA-N 2 0 454.667 2.597 20 0 JFADRP CCC[N@H+](CC)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001294516490 1062054475 /nfs/dbraw/zinc/05/44/75/1062054475.db2.gz UEIPANVCYXUGGK-IBGZPJMESA-N 2 0 476.695 2.501 20 0 JFADRP CCC[N@H+](CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001294519895 1062056519 /nfs/dbraw/zinc/05/65/19/1062056519.db2.gz GTJXHJDUVMSBGB-XZOQPEGZSA-N 2 0 494.750 2.860 20 0 JFADRP CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC001294631994 1062138993 /nfs/dbraw/zinc/13/89/93/1062138993.db2.gz DXMCEFKKGPJLJI-ATKRNPRHSA-N 2 0 459.683 2.849 20 0 JFADRP CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[NH+](CCOC)[C@@H](C)C2)C1 ZINC001294645707 1062174272 /nfs/dbraw/zinc/17/42/72/1062174272.db2.gz FJJUFSIAGVYRLE-RBUKOAKNSA-N 2 0 462.042 2.882 20 0 JFADRP CCC[N@@H+]1CC[C@@H](Cn2c(N3CCN(C[C@H]4C[NH+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)C1 ZINC001294668771 1062224609 /nfs/dbraw/zinc/22/46/09/1062224609.db2.gz CMQBTBBZTQYQCK-PKTZIBPZSA-N 2 0 475.726 2.539 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001294683645 1062242905 /nfs/dbraw/zinc/24/29/05/1062242905.db2.gz KITJPHHMGLSVGQ-ONTIZHBOSA-N 2 0 459.683 2.908 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001294684219 1062243813 /nfs/dbraw/zinc/24/38/13/1062243813.db2.gz UDHBEPPLZUAIBA-YADHBBJMSA-N 2 0 494.750 2.859 20 0 JFADRP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccn3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001294687841 1062248177 /nfs/dbraw/zinc/24/81/77/1062248177.db2.gz RJFPSFVHOUFRFX-XMMPIXPASA-N 2 0 469.678 2.931 20 0 JFADRP CC(C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001287100192 1062308946 /nfs/dbraw/zinc/30/89/46/1062308946.db2.gz DUGBBEBLWIQFKT-UHFFFAOYSA-N 2 0 483.705 2.724 20 0 JFADRP CC(C)C(=O)N1CCCN(c2nnc(C(C)C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001287112521 1062330353 /nfs/dbraw/zinc/33/03/53/1062330353.db2.gz SMYMJYZSBFQVLF-UHFFFAOYSA-N 2 0 482.677 2.704 20 0 JFADRP CC(C)[C@H](Cn1c(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001287163264 1062568411 /nfs/dbraw/zinc/56/84/11/1062568411.db2.gz CIUOFVZOKXJFMZ-RPWUZVMVSA-N 2 0 489.753 2.927 20 0 JFADRP CC(C)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001287200567 1062638321 /nfs/dbraw/zinc/63/83/21/1062638321.db2.gz FVAXRYFQIFSFJT-JOCHJYFZSA-N 2 0 459.683 2.799 20 0 JFADRP Cc1nnc(N(C)CCOc2ccc(F)cc2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001290737355 1062658993 /nfs/dbraw/zinc/65/89/93/1062658993.db2.gz KROUNQOGBDJLOF-UHFFFAOYSA-N 2 0 453.566 2.848 20 0 JFADRP Cc1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001290751248 1062669636 /nfs/dbraw/zinc/66/96/36/1062669636.db2.gz PHCPGFVOKBDAPK-UGKGYDQZSA-N 2 0 484.649 2.543 20 0 JFADRP CC(C)c1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCCC[NH+]1CCOCC1 ZINC001287225188 1062713089 /nfs/dbraw/zinc/71/30/89/1062713089.db2.gz WSADIRSQQXBOAG-ZRZAMGCNSA-N 2 0 461.699 2.509 20 0 JFADRP CC(C)C[C@H](Cn1c(-c2cccnc2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1)[NH+](C)C ZINC001287329180 1062805282 /nfs/dbraw/zinc/80/52/82/1062805282.db2.gz RTRJEACWAUDNSP-RPBOFIJWSA-N 2 0 498.720 2.548 20 0 JFADRP CC(C)C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CC2CCCCC2)CC1)[NH+](C)C ZINC001287334560 1062812139 /nfs/dbraw/zinc/81/21/39/1062812139.db2.gz XOQJQRCCNYNIDV-YADHBBJMSA-N 2 0 459.683 2.908 20 0 JFADRP CC(C)C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1)[NH+](C)C ZINC001287338898 1062816164 /nfs/dbraw/zinc/81/61/64/1062816164.db2.gz PEZIWKZPSQCLMM-FCHUYYIVSA-N 2 0 459.683 2.689 20 0 JFADRP CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001287461763 1062900059 /nfs/dbraw/zinc/90/00/59/1062900059.db2.gz CARUNYMZHDMOPL-ZLNRFVROSA-N 2 0 487.737 2.976 20 0 JFADRP CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001287463155 1062904947 /nfs/dbraw/zinc/90/49/47/1062904947.db2.gz WIAAIBGWFSPXBZ-AOJNWGRGSA-N 2 0 473.710 2.730 20 0 JFADRP CC1CCC([NH+]2CCN(c3nnc(C(=O)N4CCCC4)n3CC(C)(C)C[NH+](C)C)CC2)CC1 ZINC001291061297 1062996966 /nfs/dbraw/zinc/99/69/66/1062996966.db2.gz GSWBTMCUPXOREK-UHFFFAOYSA-N 2 0 459.683 2.803 20 0 JFADRP CC(C)C[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001287748653 1063072423 /nfs/dbraw/zinc/07/24/23/1063072423.db2.gz AVUGXRKIGSBSDP-JYFHCDHNSA-N 2 0 492.709 2.598 20 0 JFADRP CC(C)C[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001287749129 1063073861 /nfs/dbraw/zinc/07/38/61/1063073861.db2.gz DVNHFYUBGDJXGF-DNQXCXABSA-N 2 0 480.723 2.534 20 0 JFADRP CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001295363356 1063323662 /nfs/dbraw/zinc/32/36/62/1063323662.db2.gz VBVHDEHGLIUTFX-ROUUACIJSA-N 2 0 494.482 2.925 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001295364739 1063327051 /nfs/dbraw/zinc/32/70/51/1063327051.db2.gz HHLQMJIUZHSXLE-VQTJNVASSA-N 2 0 472.634 2.604 20 0 JFADRP CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001295365831 1063328667 /nfs/dbraw/zinc/32/86/67/1063328667.db2.gz MQBGQIFVTVSKJM-FQEVSTJZSA-N 2 0 486.661 2.994 20 0 JFADRP CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2OC)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001295371005 1063336785 /nfs/dbraw/zinc/33/67/85/1063336785.db2.gz OFAMTJTWSHDFFZ-LEWJYISDSA-N 2 0 456.635 2.843 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(C2CCCC2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001295376953 1063346361 /nfs/dbraw/zinc/34/63/61/1063346361.db2.gz QWMHLXPKLLURCK-ISKFKSNPSA-N 2 0 475.726 2.897 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(C2CCCC2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001295376956 1063347127 /nfs/dbraw/zinc/34/71/27/1063347127.db2.gz QWMHLXPKLLURCK-VWNXMTODSA-N 2 0 475.726 2.897 20 0 JFADRP CC(C)O[C@]1(c2nnc(N3CC[NH+](C4CCC4)C[C@@H](C)C3)n2CC[N@H+](C)C(C)C)CCOC1 ZINC001291210209 1063386555 /nfs/dbraw/zinc/38/65/55/1063386555.db2.gz YBLKAOJDMPUSBF-PXDATVDWSA-N 2 0 462.683 2.970 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2CC[NH+]2CCCCCC2)CC1 ZINC001295482210 1063496872 /nfs/dbraw/zinc/49/68/72/1063496872.db2.gz GEBUEXJBEIYOBA-UHFFFAOYSA-N 2 0 471.650 2.713 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001295482443 1063501608 /nfs/dbraw/zinc/50/16/08/1063501608.db2.gz ONDDUQXNKDVINJ-DEOSSOPVSA-N 2 0 492.672 2.577 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001295482592 1063502886 /nfs/dbraw/zinc/50/28/86/1063502886.db2.gz UKXFFWZLOLWTLA-UHFFFAOYSA-N 2 0 493.656 2.947 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001295483797 1063508226 /nfs/dbraw/zinc/50/82/26/1063508226.db2.gz IBJIXHBPUWFYGY-JOCHJYFZSA-N 2 0 496.704 2.761 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001295483798 1063508434 /nfs/dbraw/zinc/50/84/34/1063508434.db2.gz IBJIXHBPUWFYGY-QFIPXVFZSA-N 2 0 496.704 2.761 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001295483807 1063509387 /nfs/dbraw/zinc/50/93/87/1063509387.db2.gz IMAXMRSTEIUNQV-DHIUTWEWSA-N 2 0 489.709 2.631 20 0 JFADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC3CC3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001295491045 1063521159 /nfs/dbraw/zinc/52/11/59/1063521159.db2.gz NSMGFPVIRSEIDC-RLWLMLJZSA-N 2 0 473.710 2.732 20 0 JFADRP CC[NH+](CC)Cc1cccc(Cn2c(C)nnc2N2C[C@@H](C)[C@@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC001295494098 1063528200 /nfs/dbraw/zinc/52/82/00/1063528200.db2.gz YRKSZLIFQQJHAG-RLWLMLJZSA-N 2 0 481.689 2.856 20 0 JFADRP CC[NH+](CC)Cc1cccc(Cn2c(C)nnc2N2C[C@@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC001295494097 1063528372 /nfs/dbraw/zinc/52/83/72/1063528372.db2.gz YRKSZLIFQQJHAG-QFQXNSOFSA-N 2 0 481.689 2.856 20 0 JFADRP CC[NH+](CC)Cc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001295502332 1063536472 /nfs/dbraw/zinc/53/64/72/1063536472.db2.gz CVPLHUYUJRRICF-OAQYLSRUSA-N 2 0 467.662 2.821 20 0 JFADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001295515692 1063549673 /nfs/dbraw/zinc/54/96/73/1063549673.db2.gz FCMHQUHZINFPAF-SXLOBPIMSA-N 2 0 459.664 2.762 20 0 JFADRP CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001295516332 1063552070 /nfs/dbraw/zinc/55/20/70/1063552070.db2.gz KYWSQKIZBIOIPB-YADHBBJMSA-N 2 0 453.635 2.507 20 0 JFADRP CC[NH+](CC)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001295533897 1063570975 /nfs/dbraw/zinc/57/09/75/1063570975.db2.gz HMTRKSCEUAPVJF-FGZHOGPDSA-N 2 0 459.683 2.909 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(-c2ccccn2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001295560298 1063593312 /nfs/dbraw/zinc/59/33/12/1063593312.db2.gz KGDNRDPEQADWEK-QPPBQGQZSA-N 2 0 463.630 2.926 20 0 JFADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001295560744 1063593974 /nfs/dbraw/zinc/59/39/74/1063593974.db2.gz MVOUEHQGKDHDQQ-YADHBBJMSA-N 2 0 456.683 2.619 20 0 JFADRP CC(C)c1nnc(N(C)C2CC[NH+](CCn3cccn3)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001291288628 1063651435 /nfs/dbraw/zinc/65/14/35/1063651435.db2.gz WBKPOHAMWYZUFP-QFIPXVFZSA-N 2 0 472.682 2.700 20 0 JFADRP CC[N@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C2CCCC2)CC1)CCC(F)(F)F ZINC001295845195 1063866211 /nfs/dbraw/zinc/86/62/11/1063866211.db2.gz KXOCXYPTWDGGTR-SFHVURJKSA-N 2 0 471.572 2.568 20 0 JFADRP CC[N@H+](CCn1c([C@@H]2CCOC2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1)C(C)C ZINC001295851673 1063876312 /nfs/dbraw/zinc/87/63/12/1063876312.db2.gz GSJBJYBYKIDAFW-JOCHJYFZSA-N 2 0 461.699 2.507 20 0 JFADRP CC[N@H+](CCn1c([C@@H]2CCOC2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)C(C)C ZINC001295854346 1063882657 /nfs/dbraw/zinc/88/26/57/1063882657.db2.gz VTLLQOOXLFPEAF-DNVJHFABSA-N 2 0 461.699 2.507 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C[C@@H]1C ZINC001295976264 1064022031 /nfs/dbraw/zinc/02/20/31/1064022031.db2.gz HFBQOMJOAKEVTP-CNNODRBYSA-N 2 0 471.625 2.875 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C[C@@H]1C ZINC001295976266 1064022124 /nfs/dbraw/zinc/02/21/24/1064022124.db2.gz HFBQOMJOAKEVTP-IPJJNNNSSA-N 2 0 471.625 2.875 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](CC(C)C)[NH+](C)C)C[C@@H]1C ZINC001295978638 1064026181 /nfs/dbraw/zinc/02/61/81/1064026181.db2.gz MXKOKQWMUSEGHX-UFYCRDLUSA-N 2 0 456.639 2.821 20 0 JFADRP CC[N@H+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C)C1CC1 ZINC001295978768 1064026489 /nfs/dbraw/zinc/02/64/89/1064026489.db2.gz SWDNMLXXXXYATM-MOPGFXCFSA-N 2 0 474.675 2.752 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC001295983173 1064038384 /nfs/dbraw/zinc/03/83/84/1064038384.db2.gz YOMJFHCIJOADGG-ZLNRFVROSA-N 2 0 496.704 2.546 20 0 JFADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccc(F)cc3)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001296002969 1064057850 /nfs/dbraw/zinc/05/78/50/1064057850.db2.gz PDHORRDYOMNKLF-WOJBJXKFSA-N 2 0 458.626 2.774 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccc(F)cc3)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001296002967 1064057994 /nfs/dbraw/zinc/05/79/94/1064057994.db2.gz PDHORRDYOMNKLF-UXHICEINSA-N 2 0 458.626 2.774 20 0 JFADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccccc3C)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001296003434 1064059019 /nfs/dbraw/zinc/05/90/19/1064059019.db2.gz UEWGTFFORHWLSD-FGZHOGPDSA-N 2 0 454.663 2.943 20 0 JFADRP CC[C@H](C)c1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291509549 1064060596 /nfs/dbraw/zinc/06/05/96/1064060596.db2.gz GFYBJUPXRZAHDJ-AFXVXQJMSA-N 2 0 475.726 2.896 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001296008347 1064061882 /nfs/dbraw/zinc/06/18/82/1064061882.db2.gz GYXXXSIRGFPKLJ-FUDKSRODSA-N 2 0 455.651 2.540 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C[C@H]1C ZINC001296009531 1064065270 /nfs/dbraw/zinc/06/52/70/1064065270.db2.gz LCLMPWKPEAMNFG-XQBPLPMBSA-N 2 0 471.625 2.761 20 0 JFADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3csc(C)n3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001296010587 1064069141 /nfs/dbraw/zinc/06/91/41/1064069141.db2.gz QQTJSJNOVYULIP-ZWKOTPCHSA-N 2 0 461.680 2.664 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@H](C2CCCCC2)[NH+](C)C)C[C@H]1C ZINC001296011279 1064070596 /nfs/dbraw/zinc/07/05/96/1064070596.db2.gz UVDIKBFTZPTEDQ-RZUBCFFCSA-N 2 0 459.683 2.830 20 0 JFADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@@H]1C ZINC001296011468 1064071699 /nfs/dbraw/zinc/07/16/99/1064071699.db2.gz PNPQAZTWYBDXQL-FCHUYYIVSA-N 2 0 486.709 2.948 20 0 JFADRP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2C[C@H]2CCC[NH+]2CCCO)C[C@@H]1C ZINC001296013858 1064075147 /nfs/dbraw/zinc/07/51/47/1064075147.db2.gz OUFKKQOBWFXDIH-PCCBWWKXSA-N 2 0 474.625 2.762 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCC2CC[NH+](CC)CC2)CC1 ZINC001296018128 1064080550 /nfs/dbraw/zinc/08/05/50/1064080550.db2.gz NPIXBPRSXHGACS-UHFFFAOYSA-N 2 0 459.683 2.947 20 0 JFADRP CC[NH+]1CCC(CCn2c(Cc3csc(C)n3)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC001296028204 1064087273 /nfs/dbraw/zinc/08/72/73/1064087273.db2.gz WDVZBPZLSQMKOL-IBGZPJMESA-N 2 0 475.707 2.913 20 0 JFADRP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001291579261 1064105349 /nfs/dbraw/zinc/10/53/49/1064105349.db2.gz IOQWPZWBLNALOI-FDFHNCONSA-N 2 0 459.683 2.655 20 0 JFADRP CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001296059899 1064123414 /nfs/dbraw/zinc/12/34/14/1064123414.db2.gz KJUYKEDFHARSAP-PZJWPPBQSA-N 2 0 472.634 2.604 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001296130090 1064223629 /nfs/dbraw/zinc/22/36/29/1064223629.db2.gz BTHGKRKDSHIXFE-HXUWFJFHSA-N 2 0 488.750 2.970 20 0 JFADRP CC[NH+](CC)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001296130804 1064224139 /nfs/dbraw/zinc/22/41/39/1064224139.db2.gz GGBAMMYHXFJOMS-OAQYLSRUSA-N 2 0 456.683 2.620 20 0 JFADRP CC[C@@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001291758914 1064238862 /nfs/dbraw/zinc/23/88/62/1064238862.db2.gz CJLDGQMPDMMEFL-WOJBJXKFSA-N 2 0 454.623 2.720 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[NH+](CCc3ccccc3)C2)C[C@H]1C ZINC001296136448 1064241835 /nfs/dbraw/zinc/24/18/35/1064241835.db2.gz IHGMGRBPTHPZEN-FYYLOGMGSA-N 2 0 467.662 2.511 20 0 JFADRP CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001291771442 1064254268 /nfs/dbraw/zinc/25/42/68/1064254268.db2.gz FMEXBUVEWHISHV-OAQYLSRUSA-N 2 0 455.651 2.927 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3cccc(Br)c3)n2CC[NH+](C)CCOC)C[C@H]1C ZINC001296144853 1064254440 /nfs/dbraw/zinc/25/44/40/1064254440.db2.gz WZNTVVOLNCOPOE-QGZVFWFLSA-N 2 0 465.440 2.816 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001296145092 1064254960 /nfs/dbraw/zinc/25/49/60/1064254960.db2.gz LIRRBWCIKIVCRP-NHCUHLMSSA-N 2 0 468.650 2.968 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001296145881 1064256503 /nfs/dbraw/zinc/25/65/03/1064256503.db2.gz GSRJLACBMRWQIU-HTAPYJJXSA-N 2 0 477.451 2.613 20 0 JFADRP CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001291772878 1064256811 /nfs/dbraw/zinc/25/68/11/1064256811.db2.gz QLGUQMSPGYCRPK-FGZHOGPDSA-N 2 0 454.667 2.595 20 0 JFADRP CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001291772880 1064256881 /nfs/dbraw/zinc/25/68/81/1064256881.db2.gz QLGUQMSPGYCRPK-YADHBBJMSA-N 2 0 454.667 2.595 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001296147076 1064257898 /nfs/dbraw/zinc/25/78/98/1064257898.db2.gz NEKAHLBEBWCFHN-PMACEKPBSA-N 2 0 474.675 2.611 20 0 JFADRP CC[C@@H](C)[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC001291773500 1064258990 /nfs/dbraw/zinc/25/89/90/1064258990.db2.gz WBRQDYMFUCBBQP-ZRCGQRJVSA-N 2 0 482.681 2.662 20 0 JFADRP CC[C@@H](C)[N@H+](C)CCn1c(C2CCCC2)nnc1N1CCN(C[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001291774047 1064260752 /nfs/dbraw/zinc/26/07/52/1064260752.db2.gz KTZMIQFRAPDRLS-ISKFKSNPSA-N 2 0 475.726 2.897 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[NH+]2CCCO[C@@H](C)C2)C[C@H]1C ZINC001296148612 1064260819 /nfs/dbraw/zinc/26/08/19/1064260819.db2.gz AEVXXAFVMKBNHK-RTWAWAEBSA-N 2 0 486.661 2.994 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001296148723 1064260859 /nfs/dbraw/zinc/26/08/59/1064260859.db2.gz ZUIWDRGCPDWHKZ-NZQKXSOJSA-N 2 0 456.635 2.841 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCC[NH+](C)CCOC)C[C@@H]1C ZINC001296149063 1064261418 /nfs/dbraw/zinc/26/14/18/1064261418.db2.gz HQKMPLAYSQVKLW-FQEVSTJZSA-N 2 0 451.619 2.992 20 0 JFADRP CC[C@@H](C)[N@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001291781829 1064269465 /nfs/dbraw/zinc/26/94/65/1064269465.db2.gz JFLKRIRVBRKKJY-HSZRJFAPSA-N 2 0 482.721 2.989 20 0 JFADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C)[NH+](C)C)C[C@@H]1C ZINC001296160808 1064275058 /nfs/dbraw/zinc/27/50/58/1064275058.db2.gz PMHJJDXILVICBZ-SLFFLAALSA-N 2 0 463.671 2.873 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(Cc3ccccc3C)n2CC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC001296163214 1064277022 /nfs/dbraw/zinc/27/70/22/1064277022.db2.gz RYHPANOYUNZNRJ-HSZRJFAPSA-N 2 0 467.706 2.981 20 0 JFADRP CC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001296173753 1064298697 /nfs/dbraw/zinc/29/86/97/1064298697.db2.gz LOLGXZLEFADZSQ-NRFANRHFSA-N 2 0 486.661 2.631 20 0 JFADRP CC[N@@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001296174710 1064301636 /nfs/dbraw/zinc/30/16/36/1064301636.db2.gz SEEGRBCUUTZPTC-VJBMBRPKSA-N 2 0 456.635 2.642 20 0 JFADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H]4CCCO4)n3CCC[NH+](C(C)C)C(C)C)C2)CC1 ZINC001296182225 1064321938 /nfs/dbraw/zinc/32/19/38/1064321938.db2.gz PLFZZSQXOPTBRE-DHIUTWEWSA-N 2 0 461.699 2.855 20 0 JFADRP CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001296192137 1064344217 /nfs/dbraw/zinc/34/42/17/1064344217.db2.gz MLGZQDSFIQNMBM-FGZHOGPDSA-N 2 0 461.699 2.714 20 0 JFADRP CCN1CC[NH+](C[C@@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001296195663 1064362661 /nfs/dbraw/zinc/36/26/61/1064362661.db2.gz WXWZCXUVRKBLFF-PKTZIBPZSA-N 2 0 461.699 2.714 20 0 JFADRP CCN1CC[NH+](CCCCn2c(Cc3ccccn3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001296202975 1064380071 /nfs/dbraw/zinc/38/00/71/1064380071.db2.gz JRPSFYKFDRVPEQ-DHIUTWEWSA-N 2 0 468.694 2.601 20 0 JFADRP CCC(CC)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC001291967938 1064583273 /nfs/dbraw/zinc/58/32/73/1064583273.db2.gz NSIOWXAWWBGTFZ-IEIRFRATSA-N 2 0 462.683 2.838 20 0 JFADRP CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C2CCC(C)CC2)CC1)[NH+]1CCCC1 ZINC001292160858 1064944387 /nfs/dbraw/zinc/94/43/87/1064944387.db2.gz DNSMOHQUCNAGSW-ORFBVSJDSA-N 2 0 459.683 2.991 20 0 JFADRP CCc1ccc(-c2nnc(N3CCN(C(=O)C[NH+](CC)CC)CC3)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001292513261 1065232630 /nfs/dbraw/zinc/23/26/30/1065232630.db2.gz BJSAPMQLSQWFIK-JOCHJYFZSA-N 2 0 481.689 2.982 20 0 JFADRP CCc1ccccc1OCc1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001292616791 1065352256 /nfs/dbraw/zinc/35/22/56/1065352256.db2.gz XZEDZCBCGBSIRG-XZOQPEGZSA-N 2 0 483.705 2.976 20 0 JFADRP CCc1nnc(N2C[C@@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CCC[NH+](C)Cc1ccccc1 ZINC001292893442 1065594214 /nfs/dbraw/zinc/59/42/14/1065594214.db2.gz OBAMSMJCHNOMMM-RCZVLFRGSA-N 2 0 481.689 2.742 20 0 JFADRP CCc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001292924750 1065617602 /nfs/dbraw/zinc/61/76/02/1065617602.db2.gz PDHOSWOTDMPHKH-JOCHJYFZSA-N 2 0 473.710 2.779 20 0 JFADRP CCc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001293068593 1065721178 /nfs/dbraw/zinc/72/11/78/1065721178.db2.gz JOPQMCSEQMIHLT-QFIPXVFZSA-N 2 0 454.598 2.728 20 0 JFADRP CCc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001293068592 1065721242 /nfs/dbraw/zinc/72/12/42/1065721242.db2.gz JOPQMCSEQMIHLT-JOCHJYFZSA-N 2 0 454.598 2.728 20 0 JFADRP CCc1nnc(N2CCC[NH+](Cc3cnn(C)c3)CC2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001293069435 1065722211 /nfs/dbraw/zinc/72/22/11/1065722211.db2.gz VNZWNDIJHKFHJE-NRFANRHFSA-N 2 0 450.635 2.807 20 0 JFADRP CCc1nnc(N2CCN(C[C@@H]3C[NH+](C(C)C)CCO3)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001293131340 1065783617 /nfs/dbraw/zinc/78/36/17/1065783617.db2.gz OGQWJPZXRRQPTQ-BJKOFHAPSA-N 2 0 475.726 2.726 20 0 JFADRP CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001293364369 1065969291 /nfs/dbraw/zinc/96/92/91/1065969291.db2.gz FMVAHZUFEAQYTH-QHCPKHFHSA-N 2 0 482.677 2.595 20 0 JFADRP CC[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CC[NH+](CC)CC3)nc2)CC[N@@H+]1CCOC ZINC001293520553 1066042126 /nfs/dbraw/zinc/04/21/26/1066042126.db2.gz XXZHWBVQCVWPJV-QHCPKHFHSA-N 2 0 498.720 2.708 20 0 JFADRP CC[C@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[NH+](C)C(C)C)CC[N@@H+]1CCOC ZINC001293558713 1066072537 /nfs/dbraw/zinc/07/25/37/1066072537.db2.gz RNMWBRMZUYTLRG-FQEVSTJZSA-N 2 0 458.607 2.561 20 0 JFADRP CC[C@H]1CN(c2nnc(C3CCC3)n2CC2(SC)CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC001293584160 1066093690 /nfs/dbraw/zinc/09/36/90/1066093690.db2.gz TZXIVVBATKOLFT-FQEVSTJZSA-N 2 0 450.697 2.920 20 0 JFADRP CC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC[NH+]2CCCC[C@H]2C)CC[N@@H+]1CCOC ZINC001293593696 1066099583 /nfs/dbraw/zinc/09/95/83/1066099583.db2.gz FTCWAZAZUQNLRB-XPWALMASSA-N 2 0 462.683 2.984 20 0 JFADRP CC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC[NH+]2CCCC[C@@H]2C)CC[N@@H+]1CCOC ZINC001293593695 1066099766 /nfs/dbraw/zinc/09/97/66/1066099766.db2.gz FTCWAZAZUQNLRB-RJGXRXQPSA-N 2 0 462.683 2.984 20 0 JFADRP CC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[NH+](C(C)C)C2)CC[N@@H+]1CCOC ZINC001293635129 1066150806 /nfs/dbraw/zinc/15/08/06/1066150806.db2.gz LFXPMQUTYLNNSI-ZEQRLZLVSA-N 2 0 486.709 2.807 20 0 JFADRP CCC[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCC(C)CC2)CC[N@@H+]1CCOC ZINC001294082148 1066550813 /nfs/dbraw/zinc/55/08/13/1066550813.db2.gz PWPZSHRCDYIYBQ-PKTZIBPZSA-N 2 0 462.683 2.841 20 0 JFADRP CCC[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCC(C)CC2)CC[N@@H+]1CCOC ZINC001294082147 1066550845 /nfs/dbraw/zinc/55/08/45/1066550845.db2.gz PWPZSHRCDYIYBQ-GOTSBHOMSA-N 2 0 462.683 2.841 20 0 JFADRP