smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1cccc(N2CCOC2=O)c1 ZINC000157074795 834726518 /nfs/dbraw/zinc/72/65/18/834726518.db2.gz KGCMTKZDYPTRNU-FGSXEWAUSA-N 1 0 394.519 3.599 10 0 GHAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccc(N2CCOC2=O)cc1 ZINC000157155056 834775357 /nfs/dbraw/zinc/77/53/57/834775357.db2.gz BYINSKVARANDAX-FGSXEWAUSA-N 1 0 394.519 3.599 10 0 GHAERO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cc(F)cc(Br)c3)n1)OC2 ZINC000329619553 835435919 /nfs/dbraw/zinc/43/59/19/835435919.db2.gz TYLBXVVDGHMBDY-XJKSGUPXSA-N 1 0 382.233 3.564 10 0 GHAERO CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000329620624 835450097 /nfs/dbraw/zinc/45/00/97/835450097.db2.gz FLWONLOSFCWDDE-DOTOQJQBSA-N 1 0 381.524 3.588 10 0 GHAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccccc1-c1nc(C(C)(C)C)no1 ZINC000329632115 835476494 /nfs/dbraw/zinc/47/64/94/835476494.db2.gz IMELSAKZAWJLOH-HOTGVXAUSA-N 1 0 382.508 3.733 10 0 GHAERO CCc1cc(N2CCC([NH2+][C@H](C)c3ccc(OC)c(COC)c3)CC2)ncn1 ZINC000159086193 835724116 /nfs/dbraw/zinc/72/41/16/835724116.db2.gz VUKZVXQJGBWXRC-MRXNPFEDSA-N 1 0 384.524 3.514 10 0 GHAERO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000106548346 841026659 /nfs/dbraw/zinc/02/66/59/841026659.db2.gz JZWLOFZYVJBBAU-VQTJNVASSA-N 1 0 381.524 3.701 10 0 GHAERO Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3C[C@@H]4CCC[N@H+]4C[C@H]3C)c12 ZINC000247486455 842449896 /nfs/dbraw/zinc/44/98/96/842449896.db2.gz TWXRURSUMRBHGB-PBHICJAKSA-N 1 0 395.551 3.681 10 0 GHAERO C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)c(Cl)c1 ZINC000137409636 861376369 /nfs/dbraw/zinc/37/63/69/861376369.db2.gz FKXDDDAJCPJMOO-BKTGTZMESA-N 1 0 397.922 3.607 10 0 GHAERO Cc1cccnc1/C=C\C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000588452584 843310566 /nfs/dbraw/zinc/31/05/66/843310566.db2.gz NVRQORJSSODGER-QXMHVHEDSA-N 1 0 392.503 3.856 10 0 GHAERO Cc1cccnc1/C=C\C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000588453440 843323620 /nfs/dbraw/zinc/32/36/20/843323620.db2.gz XYBCRZWOCAQPSY-GDCKJWNLSA-N 1 0 387.487 3.685 10 0 GHAERO Cc1ccc(-c2nnc(CN3CCC(CC[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)o2)cc1 ZINC000330334491 843711465 /nfs/dbraw/zinc/71/14/65/843711465.db2.gz YQVCHWXTLLEVHY-OALUTQOASA-N 1 0 398.551 3.756 10 0 GHAERO C[C@H]1CC[C@@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)c2ccccc21 ZINC000179072321 861464961 /nfs/dbraw/zinc/46/49/61/861464961.db2.gz BGVHPVZODSGBEJ-HTAPYJJXSA-N 1 0 378.520 3.984 10 0 GHAERO Cc1cc(C)n(-c2ccc(NC(=O)N3CCC([C@@H]4CCC[NH2+]4)CC3)cc2F)n1 ZINC000333088400 844000280 /nfs/dbraw/zinc/00/02/80/844000280.db2.gz CAJNZQCDCPZMOD-IBGZPJMESA-N 1 0 385.487 3.624 10 0 GHAERO COc1cc(/C=C(\C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2)ccc1O ZINC000588503110 846349517 /nfs/dbraw/zinc/34/95/17/846349517.db2.gz UMFDNFVHLPQYRR-KEZQOSDHSA-N 1 0 394.515 3.883 10 0 GHAERO CCC(=O)c1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000152420400 847026338 /nfs/dbraw/zinc/02/63/38/847026338.db2.gz LRBSLESKAAODEQ-JXFKEZNVSA-N 1 0 380.492 3.706 10 0 GHAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000329608115 861757990 /nfs/dbraw/zinc/75/79/90/861757990.db2.gz BNWDVXUHNUNWRY-DYESRHJHSA-N 1 0 377.488 3.638 10 0 GHAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000246895323 854446871 /nfs/dbraw/zinc/44/68/71/854446871.db2.gz HCKWTRXJDYRYND-PMACEKPBSA-N 1 0 396.535 3.878 10 0 GHAERO Cc1cc([C@@H]2CCCN(c3ccnc(N[C@H]4CCCO[C@H]4C(C)C)n3)C2)n[nH]1 ZINC000328786071 854555868 /nfs/dbraw/zinc/55/58/68/854555868.db2.gz JACWGZKUGFRMLY-UWVAXJGDSA-N 1 0 384.528 3.508 10 0 GHAERO Cc1csc2nc(C)nc(N(C)C[C@@H]3CCC[N@H+](C)[C@H]3c3ccnn3C)c12 ZINC000328916964 854621233 /nfs/dbraw/zinc/62/12/33/854621233.db2.gz ARWCEWRUGAWLAG-MAUKXSAKSA-N 1 0 384.553 3.561 10 0 GHAERO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@H](C)C[NH+]2CCCCCC2)c1 ZINC000185425785 856342885 /nfs/dbraw/zinc/34/28/85/856342885.db2.gz BBMXYHRVSDUBQL-OAHLLOKOSA-N 1 0 379.932 3.929 10 0 GHAERO CCn1cc(C2CCN(C(=O)NCC(C)(C)[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)cn1 ZINC000157476502 858398776 /nfs/dbraw/zinc/39/87/76/858398776.db2.gz XOCAJXWDYQDOHU-QZTJIDSGSA-N 1 0 389.588 3.549 10 0 GHAERO CC1CC[NH+](CCCCNC(=O)N[C@H](c2ccccc2)c2ccncc2)CC1 ZINC000103305846 863950665 /nfs/dbraw/zinc/95/06/65/863950665.db2.gz LWCHJZKNADNCRE-JOCHJYFZSA-N 1 0 380.536 3.982 10 0 GHAERO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](c2ccccc2)c2ccncc2)C1 ZINC000103309821 863952239 /nfs/dbraw/zinc/95/22/39/863952239.db2.gz OSBJOUNAXFBXCR-RXVVDRJESA-N 1 0 380.536 3.981 10 0 GHAERO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCO[C@@H]2c2ccccc2)[C@H]1c1cccs1 ZINC000245471813 867347933 /nfs/dbraw/zinc/34/79/33/867347933.db2.gz OHPRRGPZLCDTBR-RMVXJAJNSA-N 1 0 399.560 3.960 10 0 GHAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000268811662 867813947 /nfs/dbraw/zinc/81/39/47/867813947.db2.gz OMIKVWIFAKWQNQ-KGVIQGDOSA-N 1 0 386.561 3.651 10 0 GHAERO CN(c1cccnn1)C1CC[NH+](Cc2c(Cl)n(C)nc2-c2ccccc2)CC1 ZINC000093272723 882509694 /nfs/dbraw/zinc/50/96/94/882509694.db2.gz NHMXWOAVDLIJIC-UHFFFAOYSA-N 1 0 396.926 3.631 10 0 GHAERO CC1(C)CCc2ccccc2[C@@H]1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000127305656 871628817 /nfs/dbraw/zinc/62/88/17/871628817.db2.gz MULUJCRRBFKJDT-FKBYEOEOSA-N 1 0 399.579 3.767 10 0 GHAERO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000101549626 872079253 /nfs/dbraw/zinc/07/92/53/872079253.db2.gz SWWKTSOWVIMQAZ-MRXNPFEDSA-N 1 0 396.531 3.654 10 0 GHAERO C[C@H]1CN(c2ccc(C[NH2+]Cc3ccc4c(c3)CC(C)(C)O4)cn2)C[C@H](C)O1 ZINC000105419222 875290700 /nfs/dbraw/zinc/29/07/00/875290700.db2.gz CCVNQAHYPBLVFH-IRXDYDNUSA-N 1 0 381.520 3.699 10 0 GHAERO Cc1cc(C[NH2+]C[C@@H](O)Cc2ccccc2)cc(C)c1OCc1ccccn1 ZINC000105493223 875312820 /nfs/dbraw/zinc/31/28/20/875312820.db2.gz BJVHLVMYLDJFOE-QHCPKHFHSA-N 1 0 376.500 3.971 10 0 GHAERO Fc1ccc(Br)c(C[NH2+]C2CCN(Cc3cccnc3)CC2)c1 ZINC000178708603 882932225 /nfs/dbraw/zinc/93/22/25/882932225.db2.gz YFAKPYUQLGKFKO-UHFFFAOYSA-N 1 0 378.289 3.737 10 0 GHAERO C[C@H](N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ncc(Br)s1 ZINC000179231699 882982783 /nfs/dbraw/zinc/98/27/83/882982783.db2.gz BKQSWYCUSGJVOW-IPYPFGDCSA-N 1 0 395.370 3.862 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000185449611 883458598 /nfs/dbraw/zinc/45/85/98/883458598.db2.gz IGSAVGBHCPRSNV-GCJKJVERSA-N 1 0 390.531 3.549 10 0 GHAERO C[C@H](c1ccccc1)N1CCC([NH2+][C@@H]2CCS(=O)(=O)c3ccccc32)CC1 ZINC000186196564 883618622 /nfs/dbraw/zinc/61/86/22/883618622.db2.gz DDUDMCUQLJFJGD-DYESRHJHSA-N 1 0 384.545 3.720 10 0 GHAERO O=S1(=O)CC[C@@H]([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)c2ccccc21 ZINC000186384537 883651936 /nfs/dbraw/zinc/65/19/36/883651936.db2.gz KDOUJOXSSGGEJA-FZKQIMNGSA-N 1 0 394.899 3.566 10 0 GHAERO COc1ccccc1[C@H](C[NH2+]C1CCN(Cc2cccnc2)CC1)OC(C)C ZINC000186375584 883652966 /nfs/dbraw/zinc/65/29/66/883652966.db2.gz JZWKNURICBZLNS-QHCPKHFHSA-N 1 0 383.536 3.811 10 0 GHAERO CN(Cc1ccccc1)[C@@H](C[NH2+]C1CCN(Cc2cccnc2)CC1)C1CC1 ZINC000186879728 883726339 /nfs/dbraw/zinc/72/63/39/883726339.db2.gz NFSSFCZJMLVMHN-DEOSSOPVSA-N 1 0 378.564 3.546 10 0 GHAERO Cc1ccc(N2CCC([NH2+]Cc3cnn(Cc4ccc(F)cc4)c3)CC2)nc1 ZINC000189240742 883915607 /nfs/dbraw/zinc/91/56/07/883915607.db2.gz OCJQAEUMKHSLFY-UHFFFAOYSA-N 1 0 379.483 3.533 10 0 GHAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)CCCCCc3ccc(F)cc3)C2)CC1 ZINC000189911788 884022797 /nfs/dbraw/zinc/02/27/97/884022797.db2.gz VTLLOEMNTINIJA-JOCHJYFZSA-N 1 0 389.559 3.557 10 0 GHAERO COc1cc(C[NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)ccc1O ZINC000192701647 884290237 /nfs/dbraw/zinc/29/02/37/884290237.db2.gz IFURQAGPGJZFHK-UHFFFAOYSA-N 1 0 384.476 3.941 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1CCC[C@@H]1c1cccs1 ZINC000116568037 886366401 /nfs/dbraw/zinc/36/64/01/886366401.db2.gz CEWZDVSPTCULNF-NZSAHSFTSA-N 1 0 384.549 3.900 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3ccc(OC4CCCC4)cc3)CC2)CCO1 ZINC000124650680 886777705 /nfs/dbraw/zinc/77/77/05/886777705.db2.gz DCZYFRIBCQAOJH-QGZVFWFLSA-N 1 0 387.524 3.725 10 0 GHAERO Cc1cc(C)n(-c2ccc(NC(=O)N3CCC([NH+]4CCCC4)CC3)cc2F)n1 ZINC000047860347 887379200 /nfs/dbraw/zinc/37/92/00/887379200.db2.gz XYAMGUHOCICQJI-UHFFFAOYSA-N 1 0 385.487 3.720 10 0 GHAERO CC(C)Cn1cc(C(F)F)c(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)n1 ZINC000134592772 887889796 /nfs/dbraw/zinc/88/97/96/887889796.db2.gz FNXPVJQESYRDSY-UHFFFAOYSA-N 1 0 394.466 3.806 10 0 GHAERO C[C@H](Cc1ccccc1Cl)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000245549537 888907615 /nfs/dbraw/zinc/90/76/15/888907615.db2.gz OGIDVFXYSYFPNQ-CBGDNZLLSA-N 1 0 385.939 3.940 10 0 GHAERO Cc1noc(C)c1CNC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245662355 889185577 /nfs/dbraw/zinc/18/55/77/889185577.db2.gz GISJLWXUJOXJKR-KSSFIOAISA-N 1 0 394.878 3.576 10 0 GHAERO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccccc3Br)cn2)CC1 ZINC000071564870 891233590 /nfs/dbraw/zinc/23/35/90/891233590.db2.gz ZAJFHKMHCLEGPO-UHFFFAOYSA-N 1 0 390.281 3.569 10 0 GHAERO C[C@H](O)c1ccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000246517899 891283299 /nfs/dbraw/zinc/28/32/99/891283299.db2.gz OJFUIMFOBGNTBE-SPEDKVCISA-N 1 0 381.520 3.592 10 0 GHAERO C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000246789853 891307359 /nfs/dbraw/zinc/30/73/59/891307359.db2.gz MGWRGHGMSUWTBK-CCKFTAQKSA-N 1 0 382.439 3.920 10 0 GHAERO CCN(Cc1ccccc1C)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246819421 891310811 /nfs/dbraw/zinc/31/08/11/891310811.db2.gz BXFRXTNNFOXAIA-KNQAVFIVSA-N 1 0 380.536 3.832 10 0 GHAERO C[C@H]([NH2+][C@H]1CCCOc2ccccc21)c1cccc(N2CCCS2(=O)=O)c1 ZINC000246897173 891321697 /nfs/dbraw/zinc/32/16/97/891321697.db2.gz FCHPIFVCWMXXIQ-JXFKEZNVSA-N 1 0 386.517 3.791 10 0 GHAERO COc1c(C)ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1C ZINC000247014978 891333232 /nfs/dbraw/zinc/33/32/32/891333232.db2.gz MOIRVVBBPQNDAO-VQIMIIECSA-N 1 0 382.508 3.739 10 0 GHAERO CC(C)COc1ccc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000247082669 891343285 /nfs/dbraw/zinc/34/32/85/891343285.db2.gz DCSNIVLWTLQURW-AUSIDOKSSA-N 1 0 395.547 3.686 10 0 GHAERO Brc1cccc(-c2cnc(CN3CCS[C@@H]4COCC[C@H]43)o2)c1 ZINC000247278525 891362320 /nfs/dbraw/zinc/36/23/20/891362320.db2.gz SQBLQJLSBYGDNZ-GDBMZVCRSA-N 1 0 395.322 3.810 10 0 GHAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(NC(=O)c3cccs3)c2)C1 ZINC000247335301 891368030 /nfs/dbraw/zinc/36/80/30/891368030.db2.gz VWJSPKQTIXQYOY-FUHWJXTLSA-N 1 0 383.517 3.557 10 0 GHAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(Cc3ccccn3)C[C@@H]1C)CCCO2 ZINC000247110052 891370076 /nfs/dbraw/zinc/37/00/76/891370076.db2.gz ABEUCOFWDSIXEB-MTNREXPMSA-N 1 0 381.520 3.804 10 0 GHAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(OCc4ccccn4)c(F)c3)CC[C@H]21 ZINC000247934303 891400091 /nfs/dbraw/zinc/40/00/91/891400091.db2.gz CHCLPHXGCNEXPI-OXQOHEQNSA-N 1 0 398.482 3.748 10 0 GHAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1NC(C)=O ZINC000247943624 891401927 /nfs/dbraw/zinc/40/19/27/891401927.db2.gz DGVJTRIZVFSVJU-XGHQBKJUSA-N 1 0 396.535 3.610 10 0 GHAERO CCN1c2ccc(NC(=O)N[C@@H]3CC[N@H+](C)[C@H]3c3ccccc3)cc2CCC1=O ZINC000248893019 891479537 /nfs/dbraw/zinc/47/95/37/891479537.db2.gz BFMXRWOXAQKHJG-KNQAVFIVSA-N 1 0 392.503 3.553 10 0 GHAERO Cc1cnccc1CNC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249276066 891503452 /nfs/dbraw/zinc/50/34/52/891503452.db2.gz MLRKHLUWAQLWMO-APWZRJJASA-N 1 0 390.890 3.675 10 0 GHAERO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cn(C)c2ccccc12 ZINC000249291352 891511860 /nfs/dbraw/zinc/51/18/60/891511860.db2.gz KWXMLZITHQCSMS-KGVIQGDOSA-N 1 0 390.531 3.704 10 0 GHAERO Cc1c(NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cnn1-c1cc(C)ccc1C ZINC000333227377 900050374 /nfs/dbraw/zinc/05/03/74/900050374.db2.gz XRDPLHUJCIAUOD-LJQANCHMSA-N 1 0 381.524 3.793 10 0 GHAERO Cc1[nH+]c2c(Cl)cccc2c(N2CCC[C@@]3(CCS(=O)(=O)C3)C2)c1C ZINC000333761349 902315090 /nfs/dbraw/zinc/31/50/90/902315090.db2.gz ZTFRINVKTBUFRB-LJQANCHMSA-N 1 0 378.925 3.910 10 0 GHAERO COc1cc2nc(=S)[nH]c(NCCC[N@@H+]3CCCC[C@H]3C)c2cc1OC ZINC000004919128 204092132 /nfs/dbraw/zinc/09/21/32/204092132.db2.gz OCSRIQNDIUJNEZ-CYBMUJFWSA-N 1 0 376.526 3.986 10 0 GHAERO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2cc(-c3ccsc3)n[nH]2)C1 ZINC000012299261 204390998 /nfs/dbraw/zinc/39/09/98/204390998.db2.gz DWTGHQVGDZYXFJ-GOSISDBHSA-N 1 0 380.517 3.875 10 0 GHAERO Cc1c(S(=O)(=O)c2ccccc2)c2c(nccc2Cl)n1C[C@H]1CCC[NH2+]1 ZINC000038724519 205036833 /nfs/dbraw/zinc/03/68/33/205036833.db2.gz JYQWUZPADVLJGL-CQSZACIVSA-N 1 0 389.908 3.583 10 0 GHAERO Cc1c(C[NH2+]Cc2ccccc2C(F)(F)F)c2ccccc2n1CC(N)=O ZINC000055393251 205149099 /nfs/dbraw/zinc/14/90/99/205149099.db2.gz ZXHDQLTVTIQZTH-UHFFFAOYSA-N 1 0 375.394 3.744 10 0 GHAERO CCCOc1c(CNC[C@H]2CCC[N@@H+]2CC)cc(Br)cc1OC ZINC000020968391 570285551 /nfs/dbraw/zinc/28/55/51/570285551.db2.gz JSJKMMOAMBTGMF-MRXNPFEDSA-N 1 0 385.346 3.820 10 0 GHAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccc(N2CCCC2=O)cc1 ZINC000156904649 834639689 /nfs/dbraw/zinc/63/96/89/834639689.db2.gz CINMDYYLKCKSOE-MSYCTHLASA-N 1 0 392.547 3.770 10 0 GHAERO Cc1cc(NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cnc1N1CCCC[C@H]1C ZINC000333117875 844037701 /nfs/dbraw/zinc/03/77/01/844037701.db2.gz HRZGPQAFSZBLFR-XLIONFOSSA-N 1 0 385.556 3.765 10 0 GHAERO Cc1noc2nc(-c3ccccc3)cc(C(=O)N3C[C@@H]4CCCC[N@H+]4C[C@H]3C)c12 ZINC000329642876 835511345 /nfs/dbraw/zinc/51/13/45/835511345.db2.gz IQVKFIURNRVXBE-QAPCUYQASA-N 1 0 390.487 3.897 10 0 GHAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CCc1nnc(-c2cc3ccccc3o2)o1 ZINC000329651164 835529492 /nfs/dbraw/zinc/52/94/92/835529492.db2.gz KTNWRPIAIZFZMY-NVXWUHKLSA-N 1 0 394.475 3.501 10 0 GHAERO C[C@@H]1CCc2[nH]c3ccc(-c4nc([C@@H]5C[N@@H+]6CCC[C@H]6CO5)no4)cc3c2C1 ZINC000329726042 835790885 /nfs/dbraw/zinc/79/08/85/835790885.db2.gz OHZGMZXTPBGOIS-AFBRZQFHSA-N 1 0 378.476 3.878 10 0 GHAERO Cc1ccc(NC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1Br ZINC000333164401 844100703 /nfs/dbraw/zinc/10/07/03/844100703.db2.gz OOAXZMBNLOYJQG-IRXDYDNUSA-N 1 0 396.329 3.508 10 0 GHAERO CCc1nccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000106217110 840780056 /nfs/dbraw/zinc/78/00/56/840780056.db2.gz DFHSNSGEOXQCIT-PIYZVIGCSA-N 1 0 384.568 3.556 10 0 GHAERO CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000050275688 842594390 /nfs/dbraw/zinc/59/43/90/842594390.db2.gz DIXJINAMIDTDPU-QFIPXVFZSA-N 1 0 399.579 3.711 10 0 GHAERO Cc1cc(-c2cc(C(=O)N3C[C@@H]4CCC[N@H+]4C[C@H]3C)c3c(C)noc3n2)c(C)o1 ZINC000247520613 842840825 /nfs/dbraw/zinc/84/08/25/842840825.db2.gz WRGYTVRINKNVLK-WBMJQRKESA-N 1 0 394.475 3.717 10 0 GHAERO COCC[NH+]1[C@H](C)CN(C(=O)Nc2cc(-c3nc(C)co3)ccc2C)C[C@H]1C ZINC000151363119 845193062 /nfs/dbraw/zinc/19/30/62/845193062.db2.gz WWCBIWPDKPHVAG-IAGOWNOFSA-N 1 0 386.496 3.531 10 0 GHAERO CC(C)[C@H](C)NC(=O)C1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)CC1 ZINC000101549522 851670890 /nfs/dbraw/zinc/67/08/90/851670890.db2.gz FGDSDTLDNBAYIM-FHWLQOOXSA-N 1 0 399.579 3.616 10 0 GHAERO COc1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@H](C)CC[C@H]3O)o2)cc1 ZINC000329823897 862349044 /nfs/dbraw/zinc/34/90/44/862349044.db2.gz QJKOFYDJAGUZJD-XWPNQZOQSA-N 1 0 385.508 3.897 10 0 GHAERO Cc1c([C@H]2[C@H]([NH2+][C@@H]3C[C@H](C)C[C@@H](c4ccccc4)C3)CC(=O)N2C)cnn1C ZINC000329910588 862416924 /nfs/dbraw/zinc/41/69/24/862416924.db2.gz VYDIWNRXSCGZTO-QJAXIQPXSA-N 1 0 380.536 3.562 10 0 GHAERO CCc1nc2sccc2c(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)n1 ZINC000328944591 854611478 /nfs/dbraw/zinc/61/14/78/854611478.db2.gz LVDOIYWULZBIBY-KBXCAEBGSA-N 1 0 384.553 3.507 10 0 GHAERO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@H]2C[C@H](C)Sc3sccc32)CC(=O)N1C ZINC000330185782 862645146 /nfs/dbraw/zinc/64/51/46/862645146.db2.gz JHCSERMRRXNKDO-UVLSQEMTSA-N 1 0 390.578 3.585 10 0 GHAERO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@@H]3c3cnn(C)c3)cc2)CC1 ZINC000171456170 860425645 /nfs/dbraw/zinc/42/56/45/860425645.db2.gz PRYKMDBYYXQNFF-JOCHJYFZSA-N 1 0 395.551 3.699 10 0 GHAERO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N[C@H]1CCCc2cc(F)ccc21 ZINC000179584646 866168408 /nfs/dbraw/zinc/16/84/08/866168408.db2.gz VHFCEVWRKOTMFL-NRFANRHFSA-N 1 0 382.483 3.814 10 0 GHAERO COc1ccccc1NC(=O)C1CC[NH+](Cc2c(C)nc3sc(C)cn23)CC1 ZINC000091918892 882214760 /nfs/dbraw/zinc/21/47/60/882214760.db2.gz OQNMWTOTNGKIRD-UHFFFAOYSA-N 1 0 398.532 3.872 10 0 GHAERO Cc1c2cc(Cl)ccc2oc1C(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000173284058 882346496 /nfs/dbraw/zinc/34/64/96/882346496.db2.gz NMTMRDWKSKTZPL-KRWDZBQOSA-N 1 0 389.927 3.637 10 0 GHAERO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000173989761 882400573 /nfs/dbraw/zinc/40/05/73/882400573.db2.gz GQHJUNCYMOVNOA-INIZCTEOSA-N 1 0 389.503 3.874 10 0 GHAERO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C1CCN(c2cccs2)CC1 ZINC000168403533 870582847 /nfs/dbraw/zinc/58/28/47/870582847.db2.gz PETAZMFERRRLNR-CYBMUJFWSA-N 1 0 378.929 3.772 10 0 GHAERO COc1cc(CN2CC[C@@H]([NH+]3CCCC3)C2)ccc1OCc1c(C)noc1C ZINC000092757391 882427646 /nfs/dbraw/zinc/42/76/46/882427646.db2.gz PSSZEFNECULFOB-LJQANCHMSA-N 1 0 385.508 3.549 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCc1c[nH]c2ccccc12 ZINC000116246811 873368912 /nfs/dbraw/zinc/36/89/12/873368912.db2.gz RNTPCIOMZCOPHG-UTKZUKDTSA-N 1 0 376.504 3.522 10 0 GHAERO COc1cc(OC)cc([C@H]2CC[N@@H+]([C@@H](C)c3nc(-c4cccnc4)no3)C2)c1 ZINC000177410895 882794037 /nfs/dbraw/zinc/79/40/37/882794037.db2.gz RPBQROLOGFCKTF-HOCLYGCPSA-N 1 0 380.448 3.699 10 0 GHAERO Cc1c([C@H](C)[NH2+]Cc2cccnc2-n2cncn2)cnn1-c1cccc(Cl)c1 ZINC000178048428 882858541 /nfs/dbraw/zinc/85/85/41/882858541.db2.gz CMLQEQIYDLMFPB-AWEZNQCLSA-N 1 0 393.882 3.661 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCCc1cc2ccccc2o1 ZINC000120576207 876111315 /nfs/dbraw/zinc/11/13/15/876111315.db2.gz IYDCJIOMOZMAHF-UTKZUKDTSA-N 1 0 392.503 3.580 10 0 GHAERO C[C@H](Nc1ccc(OC2CC[NH+](C)CC2)nc1)c1ncc(Br)s1 ZINC000179743789 883022699 /nfs/dbraw/zinc/02/26/99/883022699.db2.gz HJPUNIUDMLYPIV-NSHDSACASA-N 1 0 397.342 3.947 10 0 GHAERO O=C(c1ccccc1)N1CCC([NH2+]Cc2cccn2Cc2cccs2)CC1 ZINC000180203307 883067860 /nfs/dbraw/zinc/06/78/60/883067860.db2.gz PWNNGHUQOPCRAY-UHFFFAOYSA-N 1 0 379.529 3.992 10 0 GHAERO CCc1nc2ccccc2n1C1CCN(C(=O)NCCCC[NH+]2CCCC2)CC1 ZINC000180308403 883073901 /nfs/dbraw/zinc/07/39/01/883073901.db2.gz IIZDEKLAONARSG-UHFFFAOYSA-N 1 0 397.567 3.821 10 0 GHAERO O=C(NC1CC[NH+](Cc2cccn2Cc2cccs2)CC1)c1ccccc1 ZINC000123040834 879897276 /nfs/dbraw/zinc/89/72/76/879897276.db2.gz REVMYBSTPMXPQL-UHFFFAOYSA-N 1 0 379.529 3.992 10 0 GHAERO CC(=O)N1CC[C@@H]([NH2+][C@H](C)CC(=O)N(C)c2ccccc2)c2ccc(F)cc2C1 ZINC000184519950 883351349 /nfs/dbraw/zinc/35/13/49/883351349.db2.gz PGGGXKHYSCPJPO-OPAMFIHVSA-N 1 0 397.494 3.650 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)c2ccc(F)cc2C1 ZINC000184534113 883354072 /nfs/dbraw/zinc/35/40/72/883354072.db2.gz GXFWPPZAQRQHNF-DEOSSOPVSA-N 1 0 395.522 3.873 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)c2ccc(F)cc2C1 ZINC000185364217 883441389 /nfs/dbraw/zinc/44/13/89/883441389.db2.gz DLYDOGBZAJRRBK-QFIPXVFZSA-N 1 0 378.451 3.595 10 0 GHAERO CCC[NH+]1CCC(CNC(=O)NCCc2coc(-c3ccc(C)cc3)n2)CC1 ZINC000102564746 883562854 /nfs/dbraw/zinc/56/28/54/883562854.db2.gz DZNOAYFNAMDRRO-UHFFFAOYSA-N 1 0 384.524 3.614 10 0 GHAERO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000185634133 883568744 /nfs/dbraw/zinc/56/87/44/883568744.db2.gz FHKIYCITNQAUCZ-SUMWQHHRSA-N 1 0 394.441 3.827 10 0 GHAERO CCC[NH+](CCC)CCCC(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185690168 883573226 /nfs/dbraw/zinc/57/32/26/883573226.db2.gz LAAQDSYYRMFESA-NRFANRHFSA-N 1 0 391.531 3.637 10 0 GHAERO COc1ccccc1[C@@H](C[NH2+]C1CCN(Cc2cccnc2)CC1)OC(C)C ZINC000186375601 883652366 /nfs/dbraw/zinc/65/23/66/883652366.db2.gz JZWKNURICBZLNS-HSZRJFAPSA-N 1 0 383.536 3.811 10 0 GHAERO Cc1ccc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)cc1NC(=O)c1ccccc1F ZINC000186545065 883663023 /nfs/dbraw/zinc/66/30/23/883663023.db2.gz ZMZYWKZMZDXMIL-QGZVFWFLSA-N 1 0 395.478 3.743 10 0 GHAERO Cc1cc(C(=O)N(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c(Cl)cc1F ZINC000186582192 883666001 /nfs/dbraw/zinc/66/60/01/883666001.db2.gz INRPTFWIGKHODX-MRXNPFEDSA-N 1 0 375.875 3.967 10 0 GHAERO C[C@H](CCNC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)[N@H+](C)Cc1ccccc1 ZINC000186595808 883667126 /nfs/dbraw/zinc/66/71/26/883667126.db2.gz UHTQTJVAYVLBLJ-MRXNPFEDSA-N 1 0 395.507 3.696 10 0 GHAERO COC(=O)c1ccc(Cl)c(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1C ZINC000188816412 883885756 /nfs/dbraw/zinc/88/57/56/883885756.db2.gz YWEPPKBOGRPLNJ-OAHLLOKOSA-N 1 0 393.915 3.775 10 0 GHAERO C[C@H](NC(=O)N1CC2(CCOCC2)c2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189867002 884018545 /nfs/dbraw/zinc/01/85/45/884018545.db2.gz MMIJPWUMFXAMGN-OALUTQOASA-N 1 0 397.563 3.917 10 0 GHAERO C[C@H](NC(=O)N1CC2(CCOCC2)c2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189866960 884018996 /nfs/dbraw/zinc/01/89/96/884018996.db2.gz MMIJPWUMFXAMGN-RBUKOAKNSA-N 1 0 397.563 3.917 10 0 GHAERO CCc1c(NC(=O)N2CCC([NH+]3CCCC3)CC2)cnn1-c1ccccc1C ZINC000191620511 884191214 /nfs/dbraw/zinc/19/12/14/884191214.db2.gz FYOHJVDJQBGYFX-UHFFFAOYSA-N 1 0 381.524 3.835 10 0 GHAERO CC(C)(C)[S@](=O)Cc1cccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000116504078 886364195 /nfs/dbraw/zinc/36/41/95/886364195.db2.gz LXHVBTTVSJZJRN-MHZLTWQESA-N 1 0 391.581 3.826 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N[C@@H]1CCCOc2ccccc21 ZINC000116541560 886366084 /nfs/dbraw/zinc/36/60/84/886366084.db2.gz OQPAVFYWRWHLGB-JRGCBEDISA-N 1 0 394.519 3.505 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3ccc4c5c(cccc53)CC4)CC2)CCO1 ZINC000124513478 886761824 /nfs/dbraw/zinc/76/18/24/886761824.db2.gz CXEOZAIZVKYEEX-MRXNPFEDSA-N 1 0 379.504 3.655 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000124876669 886806527 /nfs/dbraw/zinc/80/65/27/886806527.db2.gz IPNNPLQZYIFKTG-ACJLOTCBSA-N 1 0 395.400 3.880 10 0 GHAERO COc1cc[nH+]c(N2CCN(C(=O)Nc3ccc(F)cc3C(F)(F)F)CC2)c1 ZINC000105036138 887307880 /nfs/dbraw/zinc/30/78/80/887307880.db2.gz COLJRGIWYUAFOF-UHFFFAOYSA-N 1 0 398.360 3.602 10 0 GHAERO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000105192098 887799955 /nfs/dbraw/zinc/79/99/55/887799955.db2.gz IQIPJGFQLSRJQU-BBRMVZONSA-N 1 0 376.501 3.712 10 0 GHAERO CC(C)Sc1ccccc1NC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000135352437 888231409 /nfs/dbraw/zinc/23/14/09/888231409.db2.gz HNDMJZCTUGZYBN-INIZCTEOSA-N 1 0 377.554 3.904 10 0 GHAERO Cc1cc(C)c(NC(=O)CCC[NH+]2CCC(N3CCO[C@H](C)C3)CC2)c(C)c1 ZINC000137280341 888345825 /nfs/dbraw/zinc/34/58/25/888345825.db2.gz KCTXZZWUAFNFMF-HXUWFJFHSA-N 1 0 387.568 3.516 10 0 GHAERO COc1cc(NC(=O)CN2CCC[C@@H](c3nccs3)C2)c(OC)cc1Cl ZINC000195345335 888681274 /nfs/dbraw/zinc/68/12/74/888681274.db2.gz FQUNENVZQNAYBE-GFCCVEGCSA-N 1 0 395.912 3.632 10 0 GHAERO CN(C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCSC1 ZINC000245691825 889239613 /nfs/dbraw/zinc/23/96/13/889239613.db2.gz LXRXNVJRZYVYID-CKEIUWERSA-N 1 0 385.936 3.619 10 0 GHAERO C[N@@H+]1CC[C@@H](CNC(=O)CSc2ccncc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245735887 889566187 /nfs/dbraw/zinc/56/61/87/889566187.db2.gz USHSVEIKRNEIOK-IFXJQAMLSA-N 1 0 393.915 3.775 10 0 GHAERO CN(Cc1ccncc1)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245739917 889596168 /nfs/dbraw/zinc/59/61/68/889596168.db2.gz VLXUTRHPTVCCQW-QFBILLFUSA-N 1 0 390.890 3.709 10 0 GHAERO CN(Cc1ccco1)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245755688 889649015 /nfs/dbraw/zinc/64/90/15/889649015.db2.gz YIRVMRXLKGOIRS-RDTXWAMCSA-N 1 0 379.863 3.907 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cccc(-c2ccoc2)c1 ZINC000246004878 890165113 /nfs/dbraw/zinc/16/51/13/890165113.db2.gz YSGWJZFLIVHREZ-HTAPYJJXSA-N 1 0 375.472 3.982 10 0 GHAERO Cc1ccc(N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1C(=O)NC(C)C 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WFZQZWPYEPTNSW-GHTZIAJQSA-N 1 0 387.524 3.553 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000247113602 891370960 /nfs/dbraw/zinc/37/09/60/891370960.db2.gz GAFGGGULUMUSKF-ZXFPDNNPSA-N 1 0 383.923 3.865 10 0 GHAERO Cc1ccc(C[C@H](C)NC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000247416210 891375257 /nfs/dbraw/zinc/37/52/57/891375257.db2.gz UDOSKJGFJAPXHX-GQIGUUNPSA-N 1 0 386.565 3.592 10 0 GHAERO CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247586082 891387831 /nfs/dbraw/zinc/38/78/31/891387831.db2.gz ZPCBXSYTOCVYBQ-GCJKJVERSA-N 1 0 396.535 3.532 10 0 GHAERO COc1cccc(-c2nc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cs2)c1OC ZINC000247954198 891402191 /nfs/dbraw/zinc/40/21/91/891402191.db2.gz FIYPSKGBMUMWQG-MAUKXSAKSA-N 1 0 387.549 3.743 10 0 GHAERO CN1CCC[C@H](C[NH2+][C@H]2CCS(=O)(=O)c3ccccc32)[C@@H]1c1cccs1 ZINC000248543671 891425866 /nfs/dbraw/zinc/42/58/66/891425866.db2.gz DDNDBMXQDZJFSU-OXFYSEKESA-N 1 0 390.574 3.639 10 0 GHAERO CCc1noc(C)c1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000248651397 891452056 /nfs/dbraw/zinc/45/20/56/891452056.db2.gz MZKUVISCIHTSCW-HUUCEWRRSA-N 1 0 381.398 3.794 10 0 GHAERO CN1CC[C@@H](C[NH2+]C2CCC3(CC2)OCCO3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248852884 891475234 /nfs/dbraw/zinc/47/52/34/891475234.db2.gz OZACSUSQTCMVCC-HNAYVOBHSA-N 1 0 382.907 3.747 10 0 GHAERO O=C(CC[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1)N1CCc2ccccc2C1 ZINC000249409881 891506539 /nfs/dbraw/zinc/50/65/39/891506539.db2.gz VCMPRPURITYASY-VQTJNVASSA-N 1 0 384.545 3.611 10 0 GHAERO C[C@@H](NC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1)c1cccc(C(F)(F)F)c1 ZINC000249691002 891515731 /nfs/dbraw/zinc/51/57/31/891515731.db2.gz SATSRKRIQHPYFR-LSDHHAIUSA-N 1 0 399.457 3.661 10 0 GHAERO Cc1ccc(N2CCCC2)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000252444568 891686109 /nfs/dbraw/zinc/68/61/09/891686109.db2.gz PJBRIYHSXDUVIY-KNQAVFIVSA-N 1 0 392.547 3.631 10 0 GHAERO C[NH+]1CCC(Nc2ccccc2NC(=O)c2coc(Br)c2)CC1 ZINC000103251847 898076800 /nfs/dbraw/zinc/07/68/00/898076800.db2.gz FZPOKECDEWXFJW-UHFFFAOYSA-N 1 0 378.270 3.801 10 0 GHAERO O=C(Nc1ccc(-n2ncc3ccccc32)cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000333143352 899994939 /nfs/dbraw/zinc/99/49/39/899994939.db2.gz LIVASQOPAGSDQM-UHFFFAOYSA-N 1 0 375.476 3.633 10 0 GHAERO Cc1coc(-c2ccc(C)c(NC(=O)N3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)c2)n1 ZINC000333185262 900019071 /nfs/dbraw/zinc/01/90/71/900019071.db2.gz QRFSDBPWGCIJEG-AZUAARDMSA-N 1 0 398.507 3.709 10 0 GHAERO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2nc3c(s2)CCCCCC3)CC1 ZINC000333361026 902034364 /nfs/dbraw/zinc/03/43/64/902034364.db2.gz STUYTKMRAHJHGG-CRAIPNDOSA-N 1 0 392.569 3.552 10 0 GHAERO [NH3+][C@@H]1CCCO[C@H]1C1CCN(c2nccc3cc(C(F)(F)F)ccc32)CC1 ZINC000333716054 902287750 /nfs/dbraw/zinc/28/77/50/902287750.db2.gz TVOZJVUTRIGAQV-MSOLQXFVSA-N 1 0 379.426 3.976 10 0 GHAERO OC[C@H]1CCCN(c2nc3cc(F)ccc3cc2C[NH2+]CCc2ccccc2)C1 ZINC000011782982 204352290 /nfs/dbraw/zinc/35/22/90/204352290.db2.gz MUPVQIININURMX-IBGZPJMESA-N 1 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/nfs/dbraw/zinc/78/21/43/570782143.db2.gz LMMXIEDEOWPRMQ-UHFFFAOYSA-N 1 0 386.467 3.515 10 0 GHAERO C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000332860161 837447413 /nfs/dbraw/zinc/44/74/13/837447413.db2.gz BDFWENLLXHMWDY-PNYFIKQUSA-N 1 0 389.588 3.659 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)c3cc(Oc4ccccc4)ccc3O)CC2)CCO1 ZINC000157418637 834911901 /nfs/dbraw/zinc/91/19/01/834911901.db2.gz XJRKOUHHABWFTL-KRWDZBQOSA-N 1 0 396.487 3.510 10 0 GHAERO Cc1cc(-c2cc(C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)c3c(C)noc3n2)c(C)o1 ZINC000408145021 841141241 /nfs/dbraw/zinc/14/12/41/841141241.db2.gz PFWGWKCACQCVPN-HNAYVOBHSA-N 1 0 394.475 3.574 10 0 GHAERO COc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc(C)cn3)CC2)cc1NC(C)=O ZINC000163515938 843002529 /nfs/dbraw/zinc/00/25/29/843002529.db2.gz KZILVJKYWNACCC-MRXNPFEDSA-N 1 0 382.508 3.677 10 0 GHAERO Cc1nnc([C@H](N[C@@H](C)c2cccc(N3CCOC3=O)c2)c2ccccc2)[nH]1 ZINC000162546392 843272175 /nfs/dbraw/zinc/27/21/75/843272175.db2.gz VOPWAMSCIQKLMW-IFXJQAMLSA-N 1 0 377.448 3.510 10 0 GHAERO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)/C=C\c1cnc2ccccc2n1)C1CC1 ZINC000588509111 846713537 /nfs/dbraw/zinc/71/35/37/846713537.db2.gz OQVTYJPDFDSCAK-OILJVOJPSA-N 1 0 386.499 3.670 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCCc1ccc(F)c(F)c1 ZINC000155226740 849482028 /nfs/dbraw/zinc/48/20/28/849482028.db2.gz WTWBBQJVPCUNNT-IERDGZPVSA-N 1 0 387.474 3.709 10 0 GHAERO CC(C)[C@H](C)NC(=O)C1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)CC1 ZINC000101549521 851671166 /nfs/dbraw/zinc/67/11/66/851671166.db2.gz FGDSDTLDNBAYIM-QYZOEREBSA-N 1 0 399.579 3.616 10 0 GHAERO COc1ccc([C@@H](C)NC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)cc1F ZINC000101621468 851742855 /nfs/dbraw/zinc/74/28/55/851742855.db2.gz NUKUMOCWUFYVNQ-CRAIPNDOSA-N 1 0 389.471 3.933 10 0 GHAERO CCN(CC)C(=O)C1([NH2+]Cc2cc(Cl)cc3c2OCOC3)CCCCC1 ZINC000121137264 851796861 /nfs/dbraw/zinc/79/68/61/851796861.db2.gz YCKXYCRRUZVRJW-UHFFFAOYSA-N 1 0 380.916 3.867 10 0 GHAERO CCCN(C(=O)NCc1cccc(C)n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000101797809 851916319 /nfs/dbraw/zinc/91/63/19/851916319.db2.gz BVVYJNLLKMZWGL-JOCHJYFZSA-N 1 0 380.536 3.976 10 0 GHAERO CC(=O)N(CCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1 ZINC000101948386 852030177 /nfs/dbraw/zinc/03/01/77/852030177.db2.gz SWUKFKSXYSWYIP-UHFFFAOYSA-N 1 0 379.504 3.660 10 0 GHAERO Cc1nn2c(C[N@@H+]3CCC[C@@H]3[C@@H]3C[C@H](C)CC[C@H]3O)c(C(C)C)nc2s1 ZINC000329841353 862365004 /nfs/dbraw/zinc/36/50/04/862365004.db2.gz OMOAOTPRQNXVDS-NOVWEMISSA-N 1 0 376.570 3.984 10 0 GHAERO C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(-c3ccc(F)cc3)c2)C[C@H]1C ZINC000330152954 862619457 /nfs/dbraw/zinc/61/94/57/862619457.db2.gz WZSJCMBSEAATEK-IIGZFKQGSA-N 1 0 398.526 3.945 10 0 GHAERO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)cc2)C1 ZINC000247098284 855851876 /nfs/dbraw/zinc/85/18/76/855851876.db2.gz SCVGYQJGANRMNQ-CKUXNOBLSA-N 1 0 399.579 3.755 10 0 GHAERO O=C(NC1CC[NH+](C2CC2)CC1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113586100 858282960 /nfs/dbraw/zinc/28/29/60/858282960.db2.gz HCXZVCPPVHLIBN-GOSISDBHSA-N 1 0 393.535 3.593 10 0 GHAERO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000171460996 860425809 /nfs/dbraw/zinc/42/58/09/860425809.db2.gz HUAHNARCYDBBFR-XMSQKQJNSA-N 1 0 395.551 3.841 10 0 GHAERO COc1ccc([C@@H](C)[NH2+]CC(=O)N(C)Cc2c(F)cccc2Cl)cc1F ZINC000102699655 860821857 /nfs/dbraw/zinc/82/18/57/860821857.db2.gz LNAJMSWMUAZPIV-GFCCVEGCSA-N 1 0 382.838 3.936 10 0 GHAERO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000103205260 863910168 /nfs/dbraw/zinc/91/01/68/863910168.db2.gz TZEYLOOMMFKRJK-GOSISDBHSA-N 1 0 392.478 3.510 10 0 GHAERO O=C(NCc1cnn(-c2ccccc2)c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103301570 866038336 /nfs/dbraw/zinc/03/83/36/866038336.db2.gz XSFUYDYTAVGTML-HXUWFJFHSA-N 1 0 395.551 3.670 10 0 GHAERO O=C(Nc1ccc(F)cc1OCC(F)(F)F)N1CCC([NH+]2CCCC2)CC1 ZINC000114012535 867810511 /nfs/dbraw/zinc/81/05/11/867810511.db2.gz KMJVYZJEJQAIEF-UHFFFAOYSA-N 1 0 389.393 3.859 10 0 GHAERO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000172194172 882176101 /nfs/dbraw/zinc/17/61/01/882176101.db2.gz AOZMVXHSUCIJEZ-QGZVFWFLSA-N 1 0 399.564 3.615 10 0 GHAERO CC(C)CCOc1ccc(NC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000174978537 882511357 /nfs/dbraw/zinc/51/13/57/882511357.db2.gz OLGJLZMRXXMEDG-GOSISDBHSA-N 1 0 389.540 3.829 10 0 GHAERO CC[C@H](Cc1ccccc1)N(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000175016879 882516000 /nfs/dbraw/zinc/51/60/00/882516000.db2.gz MUUDSDDULFLKCT-PMOQBDJRSA-N 1 0 394.563 3.955 10 0 GHAERO C[C@@H](C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1)c1ccc2ccccc2c1 ZINC000175551003 882596130 /nfs/dbraw/zinc/59/61/30/882596130.db2.gz INTCBQWUMMZVTI-XXBNENTESA-N 1 0 379.548 3.572 10 0 GHAERO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCC[C@@H](c2nccs2)C1 ZINC000176501019 882700637 /nfs/dbraw/zinc/70/06/37/882700637.db2.gz YKVORYCWRZAPAM-MRXNPFEDSA-N 1 0 376.570 3.829 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCOc1ccccc1Cl ZINC000116244858 873366690 /nfs/dbraw/zinc/36/66/90/873366690.db2.gz PDUQMLMJEVPBTN-LPHOPBHVSA-N 1 0 387.911 3.531 10 0 GHAERO CC[C@H](Sc1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116242582 873366882 /nfs/dbraw/zinc/36/68/82/873366882.db2.gz BCSYMKWHZJWGSQ-YYWHXJBOSA-N 1 0 383.561 3.979 10 0 GHAERO Cc1[nH]c2c(cccc2C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1C ZINC000116249874 873370180 /nfs/dbraw/zinc/37/01/80/873370180.db2.gz CPIUIIVIIKGTAE-BTYIYWSLSA-N 1 0 376.504 3.820 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000116251709 873370699 /nfs/dbraw/zinc/37/06/99/873370699.db2.gz ZFDMTIQGYBWNJP-KDOFPFPSSA-N 1 0 377.410 3.741 10 0 GHAERO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccn1Cc1cccs1 ZINC000119303208 875109589 /nfs/dbraw/zinc/10/95/89/875109589.db2.gz BCUFTBYZGOAMNJ-GCJKJVERSA-N 1 0 380.561 3.993 10 0 GHAERO CC[C@@H](NC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1)c1ccc(Cl)cc1 ZINC000180387747 883053634 /nfs/dbraw/zinc/05/36/34/883053634.db2.gz DYCKOPKHTXGCAY-VQTJNVASSA-N 1 0 392.975 3.603 10 0 GHAERO COc1ccc([C@@H](C)[NH2+]CC[C@H]2C(=O)Nc3ccccc32)cc1Cn1cccn1 ZINC000180391479 883053982 /nfs/dbraw/zinc/05/39/82/883053982.db2.gz OKFJPGFXRHIRNS-OXQOHEQNSA-N 1 0 390.487 3.717 10 0 GHAERO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000180863755 883105117 /nfs/dbraw/zinc/10/51/17/883105117.db2.gz QHEWGASSQVFRHI-JXFKEZNVSA-N 1 0 398.503 3.727 10 0 GHAERO O=C(C1CC[NH+]([C@@H]2Cc3ccccc3[C@@H]2O)CC1)N(Cc1ccccc1)C1CC1 ZINC000182924631 883250299 /nfs/dbraw/zinc/25/02/99/883250299.db2.gz RVYQRHZJQARXIB-RPWUZVMVSA-N 1 0 390.527 3.548 10 0 GHAERO CC(C)c1ccc(NC(=O)N(C)C2CC[NH+](CCn3cccn3)CC2)cc1F ZINC000184443795 883336534 /nfs/dbraw/zinc/33/65/34/883336534.db2.gz ATYBHBLVUPOUKX-UHFFFAOYSA-N 1 0 387.503 3.774 10 0 GHAERO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCC[C@](C)(O)c2ccccc2)CC1 ZINC000188334918 883834923 /nfs/dbraw/zinc/83/49/23/883834923.db2.gz BTVPYRIPIQCOFG-DEOSSOPVSA-N 1 0 395.547 3.590 10 0 GHAERO [NH3+]C[C@@H](NC(=O)CCc1nc(-c2ccsc2)no1)c1ccc2ccccc2c1 ZINC000193434846 884513452 /nfs/dbraw/zinc/51/34/52/884513452.db2.gz LCPNEXMLUZBIIY-GOSISDBHSA-N 1 0 392.484 3.700 10 0 GHAERO C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc(F)cc1F ZINC000116519263 886363946 /nfs/dbraw/zinc/36/39/46/886363946.db2.gz BDUUBNDCLURSGM-SIFCLUCFSA-N 1 0 388.462 3.631 10 0 GHAERO Cc1cc(C[N@@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)c2ccccc2n1 ZINC000124623756 886774391 /nfs/dbraw/zinc/77/43/91/886774391.db2.gz WLPFQGXKWLNFLB-UHFFFAOYSA-N 1 0 377.492 3.512 10 0 GHAERO O=C(Nc1ncc(Cc2cccc(F)c2)s1)N1CCC([NH+]2CCCC2)CC1 ZINC000047387306 887314343 /nfs/dbraw/zinc/31/43/43/887314343.db2.gz KAFHJHZJGAOUBR-UHFFFAOYSA-N 1 0 388.512 3.965 10 0 GHAERO Cc1cccc(N2CCC([NH2+]C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)n1 ZINC000130170159 887397647 /nfs/dbraw/zinc/39/76/47/887397647.db2.gz LUNGKQULSLOBEE-GOSISDBHSA-N 1 0 388.556 3.596 10 0 GHAERO CC(C)Cn1cc(C(F)F)c(C(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)n1 ZINC000134994235 887934046 /nfs/dbraw/zinc/93/40/46/887934046.db2.gz NUOIASWZIYBGRQ-OAHLLOKOSA-N 1 0 376.451 3.610 10 0 GHAERO Cc1cc(Oc2ncccn2)ccc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000065481984 889226122 /nfs/dbraw/zinc/22/61/22/889226122.db2.gz IFGWGTBBWFTARH-UHFFFAOYSA-N 1 0 381.480 3.669 10 0 GHAERO Cc1cc(C(=O)C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c(C)n1CC(F)(F)F ZINC000245739267 889594576 /nfs/dbraw/zinc/59/45/76/889594576.db2.gz XAPSVTYOHRYWCW-GUYCJALGSA-N 1 0 382.430 3.630 10 0 GHAERO C[C@H]1CCN(C(=O)c2csc([C@H]3CCCO3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000245961032 890084704 /nfs/dbraw/zinc/08/47/04/890084704.db2.gz XMUJBYHCFIQHRF-QFBILLFUSA-N 1 0 385.533 3.731 10 0 GHAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000245973904 890113233 /nfs/dbraw/zinc/11/32/33/890113233.db2.gz FZEMNHPNIMFEKL-OLZOCXBDSA-N 1 0 389.849 3.856 10 0 GHAERO O=C(CN1CCC[C@@H]1C[NH+]1CCCC1)Nc1c(Cl)cccc1C(F)(F)F ZINC000066536903 891124449 /nfs/dbraw/zinc/12/44/49/891124449.db2.gz HMBOZHCCSQVZLJ-CYBMUJFWSA-N 1 0 389.849 3.858 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)CCO1 ZINC000072013590 891237414 /nfs/dbraw/zinc/23/74/14/891237414.db2.gz YPZZZPUHSLXRFE-HXUWFJFHSA-N 1 0 392.543 3.920 10 0 GHAERO COc1cc(OC)cc([C@@H]2CC[N@@H+]([C@@H](C)c3nc(-c4cccnc4)no3)C2)c1 ZINC000246525492 891282808 /nfs/dbraw/zinc/28/28/08/891282808.db2.gz RPBQROLOGFCKTF-GOEBONIOSA-N 1 0 380.448 3.699 10 0 GHAERO O=C(C[C@@H](O)c1cccc(F)c1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000246583392 891288270 /nfs/dbraw/zinc/28/82/70/891288270.db2.gz YSZPTLNLSVTXTO-LQCXBHPOSA-N 1 0 382.479 3.561 10 0 GHAERO COc1ccc(SCCC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000247152706 891350219 /nfs/dbraw/zinc/35/02/19/891350219.db2.gz IMSYVRWXJZKMKK-LAUBAEHRSA-N 1 0 399.560 3.599 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)C[C@H]1CCCc2ccccc21 ZINC000247281867 891362269 /nfs/dbraw/zinc/36/22/69/891362269.db2.gz SIJUFZLWYIXZBA-KKLQWCBXSA-N 1 0 377.532 3.918 10 0 GHAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000247307469 891365030 /nfs/dbraw/zinc/36/50/30/891365030.db2.gz JJYLOYIGHCFSBW-UWJYYQICSA-N 1 0 392.503 3.664 10 0 GHAERO CCOc1ccc2cc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)[nH]c2c1 ZINC000247334172 891368261 /nfs/dbraw/zinc/36/82/61/891368261.db2.gz YMURWZUGDHSWSG-OXQOHEQNSA-N 1 0 392.503 3.602 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCc1ccc(F)c(Cl)c1 ZINC000247557519 891384757 /nfs/dbraw/zinc/38/47/57/891384757.db2.gz UGBVZFXQGPRHSP-IFXJQAMLSA-N 1 0 390.890 3.584 10 0 GHAERO CC[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc(OC)cc1 ZINC000247571021 891388020 /nfs/dbraw/zinc/38/80/20/891388020.db2.gz WQAMGSPDQJNMPO-WTNAPCKOSA-N 1 0 396.535 3.751 10 0 GHAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(F)c(N4CCCC4)c(F)c3)CC[C@H]21 ZINC000247970624 891404028 /nfs/dbraw/zinc/40/40/28/891404028.db2.gz HHMWLQOKDDSGDK-RDTXWAMCSA-N 1 0 378.467 3.513 10 0 GHAERO C[N@@H+]1CC[C@@H](NC(=O)CCC(=O)CCC(=O)c2cccs2)[C@H]1c1ccccc1 ZINC000247990974 891405944 /nfs/dbraw/zinc/40/59/44/891405944.db2.gz JERQZHWFSFXXKU-XMSQKQJNSA-N 1 0 398.528 3.622 10 0 GHAERO C[N@@H+]1CC[C@H](NC(=O)CCc2ncc(-c3ccccc3)o2)[C@H]1c1ccccc1 ZINC000248052147 891407005 /nfs/dbraw/zinc/40/70/05/891407005.db2.gz NXEWWHWBMQWCLH-WMZHIEFXSA-N 1 0 375.472 3.836 10 0 GHAERO C[N@@H+]1CC[C@H](NC(=O)CCCc2nnc(-c3ccccc3)o2)[C@H]1c1ccccc1 ZINC000248123548 891411096 /nfs/dbraw/zinc/41/10/96/891411096.db2.gz UVEPJNSMTWKLPC-SIKLNZKXSA-N 1 0 390.487 3.621 10 0 GHAERO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cc(Br)c(F)cc3F)CC[C@H]21 ZINC000248859673 891476816 /nfs/dbraw/zinc/47/68/16/891476816.db2.gz RSAQQIZACVWQDB-ZUZCIYMTSA-N 1 0 388.256 3.675 10 0 GHAERO Cc1nc([C@@H]2CCCN2C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cs1 ZINC000251950706 891665431 /nfs/dbraw/zinc/66/54/31/891665431.db2.gz VAMUQZCNILISCM-ALKREAHSSA-N 1 0 376.570 3.951 10 0 GHAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2cccc(CSC3CCCC3)c2)cn1 ZINC000262237043 892244813 /nfs/dbraw/zinc/24/48/13/892244813.db2.gz KRLQFNCQNFJLJB-UXHICEINSA-N 1 0 384.549 3.538 10 0 GHAERO Cc1cccc(NC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1Br ZINC000333276724 901963327 /nfs/dbraw/zinc/96/33/27/901963327.db2.gz GXJZGKLINMMUNW-WMLDXEAASA-N 1 0 396.329 3.508 10 0 GHAERO [NH3+][C@@H]1CCC[C@H]2CN(c3nnc(-c4cc(Br)ccc4F)s3)C[C@H]21 ZINC000333508789 902145037 /nfs/dbraw/zinc/14/50/37/902145037.db2.gz ITKIOHKWBGJWIM-MRCXROJRSA-N 1 0 397.317 3.670 10 0 GHAERO [NH3+][C@H]1CCCO[C@H]1C1CCN(c2ccnc3ccc(Br)cc32)CC1 ZINC000333752689 902310045 /nfs/dbraw/zinc/31/00/45/902310045.db2.gz ZHSNVCVEFKAORH-LPHOPBHVSA-N 1 0 390.325 3.720 10 0 GHAERO Cc1cccc(N2CC[NH+](CCCOc3ccc4ccc(=O)[nH]c4c3)CC2)c1C ZINC000005116306 204112498 /nfs/dbraw/zinc/11/24/98/204112498.db2.gz RRLWEQBPSAFVAS-UHFFFAOYSA-N 1 0 391.515 3.736 10 0 in-vitro GHAERO COc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1C1CC[NH2+]CC1 ZINC000004960447 204097082 /nfs/dbraw/zinc/09/70/82/204097082.db2.gz IZRHZUBUQFRWEU-UHFFFAOYSA-N 1 0 376.460 3.600 10 0 GHAERO C[NH2+]CCCNCc1cc(Br)cc(OC)c1OCc1ccccc1 ZINC000010435497 204334850 /nfs/dbraw/zinc/33/48/50/204334850.db2.gz IYPXTPZZFAEWQD-UHFFFAOYSA-N 1 0 393.325 3.736 10 0 GHAERO O=C1N(c2ccccc2)C[C@@H]2C[C@@H](c3cnn(-c4ccccc4)c3)[N@@H+]3CCC[C@@]123 ZINC000012315253 204396319 /nfs/dbraw/zinc/39/63/19/204396319.db2.gz SNMQNJXHIIVVHP-APTRMMRNSA-N 1 0 384.483 3.815 10 0 GHAERO COCCC[N@H+](Cc1ccc(C(C)(C)O)o1)Cc1ccc(OC)c(OC)c1 ZINC000036167763 205008575 /nfs/dbraw/zinc/00/85/75/205008575.db2.gz QTNXRCFXVXSUCP-UHFFFAOYSA-N 1 0 377.481 3.563 10 0 GHAERO Cc1cc2oc(Br)c(CC(=O)OC3CC[NH+](C)CC3)c2c(C)c1 ZINC000040802901 205072900 /nfs/dbraw/zinc/07/29/00/205072900.db2.gz BGTZANYZTVXUPZ-UHFFFAOYSA-N 1 0 380.282 3.992 10 0 GHAERO Cn1c(CNC(=O)c2cccc3[nH]cc(C[NH+]4CCCC4)c32)nc2ccccc21 ZINC000096363696 205563087 /nfs/dbraw/zinc/56/30/87/205563087.db2.gz YAYDZACGIWYWAQ-UHFFFAOYSA-N 1 0 387.487 3.580 10 0 GHAERO COc1ccc(-c2nc(NC[C@H]3CCC[NH2+]C3)cc(-c3ccncc3)n2)cc1 ZINC000073684834 523220472 /nfs/dbraw/zinc/22/04/72/523220472.db2.gz UGRMJPDOXKMTJE-INIZCTEOSA-N 1 0 375.476 3.626 10 0 GHAERO CN1C[C@H]([NH2+]Cc2ccc(Br)c(Br)c2)C(C)(C)C1 ZINC000675076167 570910145 /nfs/dbraw/zinc/91/01/45/570910145.db2.gz UUCVLKZAXCKJMC-ZDUSSCGKSA-N 1 0 376.136 3.641 10 0 GHAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1cccc(N2CCOC2=O)c1 ZINC000157074947 834726227 /nfs/dbraw/zinc/72/62/27/834726227.db2.gz KGCMTKZDYPTRNU-SPEDKVCISA-N 1 0 394.519 3.599 10 0 GHAERO CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000329620629 835449995 /nfs/dbraw/zinc/44/99/95/835449995.db2.gz FLWONLOSFCWDDE-RDJZCZTQSA-N 1 0 381.524 3.588 10 0 GHAERO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@H]3c3cnn(C)c3)cc2)C1 ZINC000245877377 844085979 /nfs/dbraw/zinc/08/59/79/844085979.db2.gz YXVIVCFUFFUPGN-AVRDEDQJSA-N 1 0 395.551 3.699 10 0 GHAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000246985303 835988834 /nfs/dbraw/zinc/98/88/34/835988834.db2.gz YGSZWGAJSSXCHY-MLCQCVOFSA-N 1 0 384.564 3.798 10 0 GHAERO C[C@@H](c1nnc(-c2cccs2)o1)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000328742742 839722799 /nfs/dbraw/zinc/72/27/99/839722799.db2.gz JRIWUMQQCMVLJF-OAGGEKHMSA-N 1 0 390.553 3.680 10 0 GHAERO CC(C)(C)c1noc(-c2ccccc2C(=O)N2CCC([NH+]3CCCC3)CC2)n1 ZINC000108795933 840239873 /nfs/dbraw/zinc/23/98/73/840239873.db2.gz NGQQOFUSAUCZLR-UHFFFAOYSA-N 1 0 382.508 3.735 10 0 GHAERO CCc1nccn1[C@@H]1CCCN(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)C1 ZINC000153297808 842865044 /nfs/dbraw/zinc/86/50/44/842865044.db2.gz QTDIIEWWCLYVLG-SCTDSRPQSA-N 1 0 376.545 3.633 10 0 GHAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000329608118 861757874 /nfs/dbraw/zinc/75/78/74/861757874.db2.gz BNWDVXUHNUNWRY-UWJYYQICSA-N 1 0 377.488 3.638 10 0 GHAERO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)c12 ZINC000195333177 856354980 /nfs/dbraw/zinc/35/49/80/856354980.db2.gz YIYIVPLKUPINQD-INIZCTEOSA-N 1 0 383.540 3.538 10 0 GHAERO CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@H]2c2cnn(C)c2)c2ccccc2)CC1 ZINC000171464538 860425734 /nfs/dbraw/zinc/42/57/34/860425734.db2.gz KCXZJXLOFYETCW-FCHUYYIVSA-N 1 0 395.551 3.740 10 0 GHAERO COC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000102699013 860820731 /nfs/dbraw/zinc/82/07/31/860820731.db2.gz SWPXZVZPUJKWPS-NSHDSACASA-N 1 0 394.468 3.589 10 0 GHAERO COc1ccc([C@@H](C)NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1F ZINC000103185335 863906694 /nfs/dbraw/zinc/90/66/94/863906694.db2.gz MPGBXNGEPSRMTK-MJGOQNOKSA-N 1 0 399.510 3.759 10 0 GHAERO CCn1c(CN2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)nc2c1cccc2F ZINC000103140955 863931999 /nfs/dbraw/zinc/93/19/99/863931999.db2.gz KTDIBDZJCHGJNY-INIZCTEOSA-N 1 0 395.482 3.749 10 0 GHAERO C[NH+](C)[C@@H](CNC(=O)N[C@@H](c1ccccc1)c1ccncc1)c1cccc(F)c1 ZINC000103298740 863944726 /nfs/dbraw/zinc/94/47/26/863944726.db2.gz AHNNNVRYGLSQOW-VXKWHMMOSA-N 1 0 392.478 3.912 10 0 GHAERO C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1cccc(-n2ccnc2)c1 ZINC000173453858 865646379 /nfs/dbraw/zinc/64/63/79/865646379.db2.gz HALZRJWEILHKLC-GHTZIAJQSA-N 1 0 381.524 3.593 10 0 GHAERO O=C(/C=C/c1ccc(Oc2cccnc2)c(F)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171454479 882129807 /nfs/dbraw/zinc/12/98/07/882129807.db2.gz TVROGWOXIWNLNO-JHTBKMLMSA-N 1 0 381.451 3.723 10 0 GHAERO CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c2ccccc21 ZINC000172306044 882198042 /nfs/dbraw/zinc/19/80/42/882198042.db2.gz YBPBDXBFKZJNRJ-LAUBAEHRSA-N 1 0 376.504 3.697 10 0 GHAERO O=C(CN1CC[C@H](C[NH+]2CCCC2)C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000172646315 882282720 /nfs/dbraw/zinc/28/27/20/882282720.db2.gz YMVBWVOXERUVDD-CYBMUJFWSA-N 1 0 389.849 3.715 10 0 GHAERO Cc1ccc(NC(=O)Cc2nc(CN3CCC([NH+]4CCCC4)CC3)cs2)cc1 ZINC000173326342 882355157 /nfs/dbraw/zinc/35/51/57/882355157.db2.gz XYHUURNLUNENLG-UHFFFAOYSA-N 1 0 398.576 3.693 10 0 GHAERO Cc1csc(C2CC[NH+](Cc3ccccc3OCC(=O)N3CCCC3)CC2)n1 ZINC000092787486 882440156 /nfs/dbraw/zinc/44/01/56/882440156.db2.gz VSHRDPIETCAWDE-UHFFFAOYSA-N 1 0 399.560 3.832 10 0 GHAERO CN(C(=O)Nc1ccc([S@@](C)=O)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000175740270 882619609 /nfs/dbraw/zinc/61/96/09/882619609.db2.gz IHMMZEZQQPAJLB-HHHXNRCGSA-N 1 0 385.533 3.552 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3ccc(CCC(F)(F)F)cc3)CC2)CCO1 ZINC000176289373 882674653 /nfs/dbraw/zinc/67/46/53/882674653.db2.gz RCJTYNFJMGHWBK-OAHLLOKOSA-N 1 0 399.457 3.899 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccccc1C(F)(F)F ZINC000116249932 873370760 /nfs/dbraw/zinc/37/07/60/873370760.db2.gz BOYLCARURLZAIA-KSSFIOAISA-N 1 0 377.410 3.741 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc(F)c(F)c1F ZINC000116475315 873513662 /nfs/dbraw/zinc/51/36/62/873513662.db2.gz DEVNBYFIBNQMOC-DOMZBBRYSA-N 1 0 378.398 3.531 10 0 GHAERO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]Cc1cccnc1-n1cncn1 ZINC000178055161 882861234 /nfs/dbraw/zinc/86/12/34/882861234.db2.gz LCEHMMSDRZEPLK-AWEZNQCLSA-N 1 0 376.489 3.945 10 0 GHAERO CC(C)Cn1cc(C(F)F)c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)n1 ZINC000179427854 882998785 /nfs/dbraw/zinc/99/87/85/882998785.db2.gz HKJHWVMBTWFOPQ-SJLPKXTDSA-N 1 0 376.451 3.652 10 0 GHAERO Cc1ccc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1C(=O)NC(C)C ZINC000179842479 883032891 /nfs/dbraw/zinc/03/28/91/883032891.db2.gz XWLXXHQRKHXJQQ-AVRDEDQJSA-N 1 0 380.536 3.851 10 0 GHAERO COc1ccc2nc(C3CC3)cc(C(=O)N3CCC([NH+]4CCCC4)CC3)c2c1 ZINC000123272196 880174169 /nfs/dbraw/zinc/17/41/69/880174169.db2.gz PWLBFQYMAQGRTQ-UHFFFAOYSA-N 1 0 379.504 3.821 10 0 GHAERO CCn1cnnc1-c1cccc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000182859679 883245987 /nfs/dbraw/zinc/24/59/87/883245987.db2.gz HPIODDJDLQSTDC-UWJYYQICSA-N 1 0 376.508 3.683 10 0 GHAERO COC(=O)c1ccc(Cl)c(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1C ZINC000184039473 883302927 /nfs/dbraw/zinc/30/29/27/883302927.db2.gz DKNGVZRIBRVZSJ-CQSZACIVSA-N 1 0 379.888 3.527 10 0 GHAERO Cc1c(Br)cccc1NC(=O)N1CCCN(c2ccccn2)CC1 ZINC000184098833 883316941 /nfs/dbraw/zinc/31/69/41/883316941.db2.gz OYGPVIBTHOCXDM-UHFFFAOYSA-N 1 0 389.297 3.897 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)CCO1 ZINC000184175741 883327337 /nfs/dbraw/zinc/32/73/37/883327337.db2.gz SVXUZVAEOGAHHS-LBPRGKRZSA-N 1 0 390.833 3.684 10 0 GHAERO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)CCc2ccc3c(c2)OCO3)c2ccc(F)cc2C1 ZINC000184517549 883351091 /nfs/dbraw/zinc/35/10/91/883351091.db2.gz SYEHALDZTQLGRH-YCRPNKLZSA-N 1 0 398.478 3.959 10 0 GHAERO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000184518212 883351292 /nfs/dbraw/zinc/35/12/92/883351292.db2.gz HJVBZTNYMDTDEF-PEBXRYMYSA-N 1 0 383.467 3.928 10 0 GHAERO COc1cc(C)c(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1F ZINC000186831876 883709952 /nfs/dbraw/zinc/70/99/52/883709952.db2.gz LZSCWOPXSTWBDY-MAUKXSAKSA-N 1 0 386.471 3.570 10 0 GHAERO COc1cccc2c1CC[C@H]([NH2+][C@H]1CCN(C(C)=O)Cc3cc(F)ccc31)C2 ZINC000192447813 884263102 /nfs/dbraw/zinc/26/31/02/884263102.db2.gz CUCMOFMRBZTWKF-UGKGYDQZSA-N 1 0 382.479 3.775 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCc1ccc(F)c(Cl)c1 ZINC000116542273 886365262 /nfs/dbraw/zinc/36/52/62/886365262.db2.gz UGBVZFXQGPRHSP-LIRRHRJNSA-N 1 0 390.890 3.584 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3ccccc3SC(F)F)CC2)CCO1 ZINC000124421094 886746486 /nfs/dbraw/zinc/74/64/86/886746486.db2.gz GNNHREPLAAACFR-ZDUSSCGKSA-N 1 0 385.480 3.718 10 0 GHAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)Nc3ccccc3SC(F)F)C2)CC1 ZINC000125373279 886860062 /nfs/dbraw/zinc/86/00/62/886860062.db2.gz SYEJRRXKUWHDLG-OAHLLOKOSA-N 1 0 398.523 3.635 10 0 GHAERO C[C@@H]1CC([NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)C[C@@H](C)O1 ZINC000127058199 887027812 /nfs/dbraw/zinc/02/78/12/887027812.db2.gz TWFFGIYTRXMOLN-NQBHXWOUSA-N 1 0 377.838 3.878 10 0 GHAERO Brc1ccc(-c2nnc(CN[C@H]3CCCC[C@@H]3n3cccn3)o2)o1 ZINC000128831610 887232275 /nfs/dbraw/zinc/23/22/75/887232275.db2.gz IMMVYZZONIFVGB-RYUDHWBXSA-N 1 0 392.257 3.562 10 0 GHAERO CO[C@@H](C)c1cccc(NC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000105032753 887295055 /nfs/dbraw/zinc/29/50/55/887295055.db2.gz JCZBDHBNOUGKJT-KRWDZBQOSA-N 1 0 397.519 3.672 10 0 GHAERO O=C(Nc1cccc(OCc2cccnc2)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000047585796 887341023 /nfs/dbraw/zinc/34/10/23/887341023.db2.gz XPQRRWLLNWFEIM-UHFFFAOYSA-N 1 0 380.492 3.753 10 0 GHAERO O=C(NCc1cccc(CN2CCOCC2)c1)N(Cc1ccco1)C1CCCC1 ZINC000105162214 887755925 /nfs/dbraw/zinc/75/59/25/887755925.db2.gz AXJZGRYIKYLUBQ-UHFFFAOYSA-N 1 0 397.519 3.766 10 0 GHAERO CC(C)Cn1cc(C(F)F)c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000134591819 887889772 /nfs/dbraw/zinc/88/97/72/887889772.db2.gz YCPNQOFCSIAUPV-UHFFFAOYSA-N 1 0 390.478 3.871 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@@H](OC(C)(C)C)c1ccccc1 ZINC000245549615 888907479 /nfs/dbraw/zinc/90/74/79/888907479.db2.gz OHPVEVCRMFELDM-QIJUGHKUSA-N 1 0 395.547 3.965 10 0 GHAERO CN(C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCSC1 ZINC000245691834 889240023 /nfs/dbraw/zinc/24/00/23/889240023.db2.gz LXRXNVJRZYVYID-KEYYUXOJSA-N 1 0 385.936 3.619 10 0 GHAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(-c3ccccn3)c2C)[C@@H](C)C1 ZINC000245721764 889448655 /nfs/dbraw/zinc/44/86/55/889448655.db2.gz PVHKYKNVWAKNQJ-AVRDEDQJSA-N 1 0 395.547 3.924 10 0 GHAERO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1OCc1cccnc1 ZINC000245725756 889485142 /nfs/dbraw/zinc/48/51/42/889485142.db2.gz DSDUKQAZRONZIT-WIYYLYMNSA-N 1 0 392.503 3.949 10 0 GHAERO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1csc([C@H]2CCCO2)n1 ZINC000245796744 889745619 /nfs/dbraw/zinc/74/56/19/889745619.db2.gz ANSZRIXQPARQOG-AZUAARDMSA-N 1 0 399.560 3.979 10 0 GHAERO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccncc2Br)C1 ZINC000246040285 890226016 /nfs/dbraw/zinc/22/60/16/890226016.db2.gz OVBYHFROOPVQBF-LSDHHAIUSA-N 1 0 380.330 3.571 10 0 GHAERO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cccnc2Br)C1 ZINC000246085323 890331063 /nfs/dbraw/zinc/33/10/63/890331063.db2.gz IIGLBWHCQLOBTF-HUUCEWRRSA-N 1 0 380.330 3.571 10 0 GHAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2coc(-c3ccc(C)cc3)n2)[C@@H](C)C1 ZINC000246351154 891055329 /nfs/dbraw/zinc/05/53/29/891055329.db2.gz FQJQNXRFTCUTBL-FXAWDEMLSA-N 1 0 384.524 3.564 10 0 GHAERO COc1ccc(/C(C)=C/C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246425716 891235134 /nfs/dbraw/zinc/23/51/34/891235134.db2.gz ISTRDJSTSIEKSK-VCTUQMIESA-N 1 0 379.504 3.520 10 0 GHAERO CCOc1c(OC)cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1OC ZINC000246468944 891267881 /nfs/dbraw/zinc/26/78/81/891267881.db2.gz OJKFGRSRPVUGNK-DLBZAZTESA-N 1 0 375.465 3.784 10 0 GHAERO C[C@@H](c1ccncc1)N(C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000246786953 891306790 /nfs/dbraw/zinc/30/67/90/891306790.db2.gz QJTHAYQXTWIHAE-PXNSSMCTSA-N 1 0 395.503 3.599 10 0 GHAERO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3sc(N(C)C)nc3-c3ccccc3)[C@@H]2C1 ZINC000246851041 891316187 /nfs/dbraw/zinc/31/61/87/891316187.db2.gz SDDBXQPVAWVZIO-KZNAEPCWSA-N 1 0 387.549 3.644 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1cccc(OC(F)F)c1 ZINC000247053255 891338628 /nfs/dbraw/zinc/33/86/28/891338628.db2.gz OPYBTUDEHJSNEN-KBXCAEBGSA-N 1 0 390.434 3.715 10 0 GHAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)cc1 ZINC000247040629 891338736 /nfs/dbraw/zinc/33/87/36/891338736.db2.gz SVGVVIMPNOYAOW-VJBWXMMDSA-N 1 0 383.580 3.542 10 0 GHAERO C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247104710 891344407 /nfs/dbraw/zinc/34/44/07/891344407.db2.gz FIVRUBZSCUYAIS-GQIGUUNPSA-N 1 0 387.911 3.529 10 0 GHAERO CCn1cc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c2ccccc21 ZINC000247187621 891352924 /nfs/dbraw/zinc/35/29/24/891352924.db2.gz KTLXRVYGIZWOGI-GCJKJVERSA-N 1 0 390.531 3.626 10 0 GHAERO Cc1c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)oc2c1C(=O)CCC2 ZINC000247282000 891362112 /nfs/dbraw/zinc/36/21/12/891362112.db2.gz XNODUWDOSCEXSP-YJBOKZPZSA-N 1 0 380.488 3.890 10 0 GHAERO Cc1c(-c2cc(C[N@@H+]3CCC[C@H]3C[C@@H](O)c3ccc(F)cc3)on2)cnn1C ZINC000248608167 891444824 /nfs/dbraw/zinc/44/48/24/891444824.db2.gz GWSQJSOEYKCEPJ-LAUBAEHRSA-N 1 0 384.455 3.611 10 0 GHAERO Cc1c(-c2cc(C[N@@H+]3CCC[C@@H]3C[C@@H](O)c3ccc(F)cc3)on2)cnn1C ZINC000248608164 891444998 /nfs/dbraw/zinc/44/49/98/891444998.db2.gz GWSQJSOEYKCEPJ-DYESRHJHSA-N 1 0 384.455 3.611 10 0 GHAERO O=C(NCCC[C@H]1CCCCO1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000248746322 891464416 /nfs/dbraw/zinc/46/44/16/891464416.db2.gz SDRMYNJBKIZRIK-QZTJIDSGSA-N 1 0 379.570 3.609 10 0 GHAERO CS(=O)(=O)c1cccc([C@H]([NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c2ccccc2)c1 ZINC000248791475 891469997 /nfs/dbraw/zinc/46/99/97/891469997.db2.gz ITWCYKPZENTASJ-CEMLEFRQSA-N 1 0 385.529 3.727 10 0 GHAERO CCOCCC[N@@H+]1CC[C@@H](NCc2nnc(-c3ccccc3Cl)o2)[C@@H](C)C1 ZINC000249451725 891507510 /nfs/dbraw/zinc/50/75/10/891507510.db2.gz OPVOTYPPPABLHB-MAUKXSAKSA-N 1 0 392.931 3.617 10 0 GHAERO Cc1cc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)nc(C(F)(F)F)n1 ZINC000249564870 891510513 /nfs/dbraw/zinc/51/05/13/891510513.db2.gz MTVGFSQRFOWBGY-CABCVRRESA-N 1 0 384.446 3.530 10 0 GHAERO Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000253551713 891878763 /nfs/dbraw/zinc/87/87/63/891878763.db2.gz XOJJXEYWSAGPCM-YJBOKZPZSA-N 1 0 396.535 3.571 10 0 GHAERO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC000333102033 899962202 /nfs/dbraw/zinc/96/22/02/899962202.db2.gz AVTSYCFSMOTTNT-GOEBONIOSA-N 1 0 390.286 3.883 10 0 GHAERO Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333103195 899963364 /nfs/dbraw/zinc/96/33/64/899963364.db2.gz CPAWVGZHXOAURA-NVXWUHKLSA-N 1 0 385.430 3.764 10 0 GHAERO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)Nc2ccc3c4c(cccc42)CC3)CC1 ZINC000333183603 900017616 /nfs/dbraw/zinc/01/76/16/900017616.db2.gz SKMQGJJGHGUZSQ-UGKGYDQZSA-N 1 0 379.504 3.689 10 0 GHAERO O=C(Nc1cccc2c(Br)ccnc12)N1CCC2(CC[NH2+]C2)CC1 ZINC000333327218 902010012 /nfs/dbraw/zinc/01/00/12/902010012.db2.gz NTJFBHBWVGWBFS-UHFFFAOYSA-N 1 0 389.297 3.605 10 0 GHAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000333811991 902343297 /nfs/dbraw/zinc/34/32/97/902343297.db2.gz JMQKOHGGSXQORC-HNNXBMFYSA-N 1 0 376.888 3.512 10 0 GHAERO COc1cc(Br)cc(C[NH2+]C[C@@H](C)O)c1OCc1ccccc1 ZINC000010474571 204335989 /nfs/dbraw/zinc/33/59/89/204335989.db2.gz PDLHGGOFYCPPJG-CYBMUJFWSA-N 1 0 380.282 3.507 10 0 GHAERO COc1ccc(CC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000011874576 204358478 /nfs/dbraw/zinc/35/84/78/204358478.db2.gz IFYUDVYDAUZTKX-GOSISDBHSA-N 1 0 386.923 3.920 10 0 GHAERO CN(Cc1cc(C[C@@H]2C[C@H]([NH2+]Cc3ncc[nH]3)C2(C)C)no1)c1ccccc1 ZINC000067890153 205029310 /nfs/dbraw/zinc/02/93/10/205029310.db2.gz WMUSIZWUTBIBIZ-UZLBHIALSA-N 1 0 379.508 3.781 10 0 GHAERO COCc1cc(NC[C@@H]2CCC[NH2+]C2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073684949 522934705 /nfs/dbraw/zinc/93/47/05/522934705.db2.gz ONQZXARAOPAZTB-CYBMUJFWSA-N 1 0 380.414 3.720 10 0 GHAERO OCC[NH2+]CCCNCc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000013732998 570783767 /nfs/dbraw/zinc/78/37/67/570783767.db2.gz POUXAFBLDGUJRU-UHFFFAOYSA-N 1 0 382.479 3.620 10 0 GHAERO O=C(Cc1csc(Cc2ccc(F)cc2)n1)N1CCC([NH+]2CCCC2)CC1 ZINC000104405327 837420802 /nfs/dbraw/zinc/42/08/02/837420802.db2.gz XQPFRUIURPWPTK-UHFFFAOYSA-N 1 0 387.524 3.502 10 0 GHAERO Cc1cc(-c2cc(C(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)c3c(C)noc3n2)c(C)o1 ZINC000113224862 837821793 /nfs/dbraw/zinc/82/17/93/837821793.db2.gz WRGYTVRINKNVLK-BLLLJJGKSA-N 1 0 394.475 3.717 10 0 GHAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000329613655 835390816 /nfs/dbraw/zinc/39/08/16/835390816.db2.gz CTVIUHSWDSUGBN-IIBYNOLFSA-N 1 0 395.478 3.777 10 0 GHAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccccc1-c1nc(C(C)(C)C)no1 ZINC000329632116 835476412 /nfs/dbraw/zinc/47/64/12/835476412.db2.gz IMELSAKZAWJLOH-HZPDHXFCSA-N 1 0 382.508 3.733 10 0 GHAERO CC(C)(C)C[NH+]1CCC(Oc2ccc(C(=O)N[C@@H]3CCOC3)cc2Cl)CC1 ZINC000012763549 835750976 /nfs/dbraw/zinc/75/09/76/835750976.db2.gz KODGGEQGWONXBB-MRXNPFEDSA-N 1 0 394.943 3.748 10 0 GHAERO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCc3c(nc(C(C)C)n3C)C2)C1 ZINC000112750398 836279988 /nfs/dbraw/zinc/27/99/88/836279988.db2.gz IKQMCISHMLZQGZ-KRWDZBQOSA-N 1 0 389.588 3.512 10 0 GHAERO C[C@H](C(=O)N1CCCC[C@H]1c1cn[nH]c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000113888613 838422853 /nfs/dbraw/zinc/42/28/53/838422853.db2.gz PXFCRBLRCBQIFA-GCJKJVERSA-N 1 0 380.536 3.807 10 0 GHAERO Cc1ccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1NC(=O)Nc1ccccc1 ZINC000247214200 840960862 /nfs/dbraw/zinc/96/08/62/840960862.db2.gz NQTKDPSZHXTLOK-XLIONFOSSA-N 1 0 392.503 3.948 10 0 GHAERO Cc1nnc([C@@H](N[C@@H](C)c2cccc(N3CCOC3=O)c2)c2ccccc2)[nH]1 ZINC000162546526 843272267 /nfs/dbraw/zinc/27/22/67/843272267.db2.gz VOPWAMSCIQKLMW-LIRRHRJNSA-N 1 0 377.448 3.510 10 0 GHAERO Cn1nc(C(F)F)c2cc(-c3nc([C@H]4C[N@@H+]5CCC[C@@]5(C)CO4)no3)sc21 ZINC000329646454 861895770 /nfs/dbraw/zinc/89/57/70/861895770.db2.gz BBQXAGWSSLABTR-QGHHPUGFSA-N 1 0 395.435 3.548 10 0 GHAERO C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CCC[C@@H]2c2nc(C(=O)NC3CC3)no2)C1 ZINC000328607797 854481812 /nfs/dbraw/zinc/48/18/12/854481812.db2.gz LLEPXPKOLQQSOS-SVMVAKDDSA-N 1 0 380.492 3.609 10 0 GHAERO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2C[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000328859552 854582663 /nfs/dbraw/zinc/58/26/63/854582663.db2.gz YNHNFKNDVAXBDE-IPRSADBSSA-N 1 0 387.564 3.703 10 0 GHAERO Cc1noc(C)c1[C@H](C)CC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000157783631 854877393 /nfs/dbraw/zinc/87/73/93/854877393.db2.gz DDGOHMPLARCRIA-BRWVUGGUSA-N 1 0 391.556 3.523 10 0 GHAERO Fc1ccc2c(c1)[C@@H]([N@@H+]1C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C1)CC2 ZINC000330180796 862640536 /nfs/dbraw/zinc/64/05/36/862640536.db2.gz NNNFLMIPOIQZTC-QOEFQVSFSA-N 1 0 391.450 3.707 10 0 GHAERO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)c12 ZINC000195056648 860372546 /nfs/dbraw/zinc/37/25/46/860372546.db2.gz SJKOQCVUJYEKHU-KRWDZBQOSA-N 1 0 397.567 3.928 10 0 GHAERO C[NH+](C)[C@H](CNC(=O)N[C@@H](c1ccccc1)c1ccncc1)c1cccc(F)c1 ZINC000103298743 863944353 /nfs/dbraw/zinc/94/43/53/863944353.db2.gz AHNNNVRYGLSQOW-YADHBBJMSA-N 1 0 392.478 3.912 10 0 GHAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000103309153 863952668 /nfs/dbraw/zinc/95/26/68/863952668.db2.gz SUMBCCNTFKXBKE-DHIUTWEWSA-N 1 0 388.515 3.643 10 0 GHAERO FC(F)(F)c1ccc2c(c1)nccc2N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000301777554 865533231 /nfs/dbraw/zinc/53/32/31/865533231.db2.gz HEQGUTXZEIJJPB-UHFFFAOYSA-N 1 0 379.426 3.945 10 0 GHAERO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000179584657 866168362 /nfs/dbraw/zinc/16/83/62/866168362.db2.gz VHFCEVWRKOTMFL-OAQYLSRUSA-N 1 0 382.483 3.814 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000172168005 882174517 /nfs/dbraw/zinc/17/45/17/882174517.db2.gz AUWAXKJHGUOKHU-RXHHBCLFSA-N 1 0 382.552 3.560 10 0 GHAERO Cc1c(C(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)sc2cccc(F)c12 ZINC000173280833 882346114 /nfs/dbraw/zinc/34/61/14/882346114.db2.gz ZYILRSOWPQFIJY-MRXNPFEDSA-N 1 0 389.540 3.591 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc2ccn(C)c2c1 ZINC000173839909 882407923 /nfs/dbraw/zinc/40/79/23/882407923.db2.gz MQCPLSNUESCYSL-JXFKEZNVSA-N 1 0 377.492 3.605 10 0 GHAERO C[C@H]([NH2+]C1CCN(c2cccs2)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000168436963 870543895 /nfs/dbraw/zinc/54/38/95/870543895.db2.gz MVFFOTJWDCNJRY-ZDUSSCGKSA-N 1 0 382.526 3.610 10 0 GHAERO CSCc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)ccc1F ZINC000174244094 882439249 /nfs/dbraw/zinc/43/92/49/882439249.db2.gz OOTPFCFHOAUKRL-QRWLVFNGSA-N 1 0 387.524 3.724 10 0 GHAERO Cc1cc(C[NH+]2CCC(c3ccnn3CCO)CC2)ccc1Oc1cccnc1 ZINC000092811282 882440029 /nfs/dbraw/zinc/44/00/29/882440029.db2.gz GYPABVJQUDTZFU-UHFFFAOYSA-N 1 0 392.503 3.751 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3cccc(CC(F)(F)F)c3)CC2)CCO1 ZINC000174317342 882450104 /nfs/dbraw/zinc/45/01/04/882450104.db2.gz UXUPVRXTGXGLOM-CQSZACIVSA-N 1 0 385.430 3.508 10 0 GHAERO O=C(Nc1ccc(OCc2ccccn2)c(F)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000175125666 882526304 /nfs/dbraw/zinc/52/63/04/882526304.db2.gz MQHPZVCWRABJGH-UHFFFAOYSA-N 1 0 398.482 3.892 10 0 GHAERO C[C@@H](NC(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(C)(C)C ZINC000175531116 882594312 /nfs/dbraw/zinc/59/43/12/882594312.db2.gz SBWMWLFZTAMYCM-YLJYHZDGSA-N 1 0 375.557 3.508 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3ccc(CCC(F)(F)F)cc3)CC2)CCO1 ZINC000176289390 882674688 /nfs/dbraw/zinc/67/46/88/882674688.db2.gz RCJTYNFJMGHWBK-HNNXBMFYSA-N 1 0 399.457 3.899 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CSc1ccc(Cl)cc1 ZINC000116248162 873368327 /nfs/dbraw/zinc/36/83/27/873368327.db2.gz AZQUJJGWXIDOFI-BEFAXECRSA-N 1 0 389.952 3.854 10 0 GHAERO Cc1[nH]c2c(cccc2C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1C ZINC000116249871 873369871 /nfs/dbraw/zinc/36/98/71/873369871.db2.gz CPIUIIVIIKGTAE-YCRPNKLZSA-N 1 0 376.504 3.820 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1nc2ccccc2s1 ZINC000116411948 873504241 /nfs/dbraw/zinc/50/42/41/873504241.db2.gz KLDDFRJUZPVHMK-ZBFHGGJFSA-N 1 0 381.505 3.723 10 0 GHAERO COc1ccc([C@@H](C)N(C)C(=O)NC2CCN(c3cccc(C)n3)CC2)cc1 ZINC000116970651 873800279 /nfs/dbraw/zinc/80/02/79/873800279.db2.gz GEIYICSISIYSIE-QGZVFWFLSA-N 1 0 382.508 3.770 10 0 GHAERO Cc1ccc(C[NH+](C)C)cc1NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000177339962 882820426 /nfs/dbraw/zinc/82/04/26/882820426.db2.gz HKXJPIOROJJPHQ-UHFFFAOYSA-N 1 0 385.533 3.609 10 0 GHAERO CCCN(C(=O)c1ccccc1NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)C(C)C ZINC000180632284 883088920 /nfs/dbraw/zinc/08/89/20/883088920.db2.gz QZAWRSKEZAXENJ-YLJYHZDGSA-N 1 0 386.540 3.505 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c2ccc(F)cc2C1 ZINC000184538829 883354163 /nfs/dbraw/zinc/35/41/63/883354163.db2.gz WYTQUUWGXDTXFW-NYHFZMIOSA-N 1 0 393.466 3.551 10 0 GHAERO C[C@H]([NH2+][C@@H](C)[C@@H]1COc2ccccc21)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000185551615 883555595 /nfs/dbraw/zinc/55/55/95/883555595.db2.gz MUMFWFRWIHTGPG-FIKGOQFSSA-N 1 0 379.504 3.768 10 0 GHAERO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)CC1 ZINC000186608464 883673505 /nfs/dbraw/zinc/67/35/05/883673505.db2.gz PUIUNNUWKNBNSS-UHFFFAOYSA-N 1 0 387.528 3.640 10 0 GHAERO Cc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)[NH+]2CCCC2)o1 ZINC000186645042 883680415 /nfs/dbraw/zinc/68/04/15/883680415.db2.gz MKEKDZFVOWDBFL-GOSISDBHSA-N 1 0 397.479 3.524 10 0 GHAERO CN1Cc2cc(NC(=O)N3CCC[N@H+](CC4CCCCC4)CC3)ccc2NC1=O ZINC000186654582 883682226 /nfs/dbraw/zinc/68/22/26/883682226.db2.gz TVMUDGQWCDYKJP-UHFFFAOYSA-N 1 0 399.539 3.784 10 0 GHAERO CCCN(CCc1ccccn1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000105129954 886375061 /nfs/dbraw/zinc/37/50/61/886375061.db2.gz NGLWOEVDASZEEL-QFIPXVFZSA-N 1 0 380.536 3.883 10 0 GHAERO Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000126588338 886982989 /nfs/dbraw/zinc/98/29/89/886982989.db2.gz FPAVMEMCHPMXCZ-KRWDZBQOSA-N 1 0 398.473 3.648 10 0 GHAERO COc1cc(F)c(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1OC ZINC000132264672 887638424 /nfs/dbraw/zinc/63/84/24/887638424.db2.gz JEAFZWVAWUOMQU-BFUOFWGJSA-N 1 0 392.496 3.717 10 0 GHAERO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCO[C@H]1c1ccccc1 ZINC000055116614 888303163 /nfs/dbraw/zinc/30/31/63/888303163.db2.gz KUTFLKFBUBFSBT-GOTSBHOMSA-N 1 0 378.516 3.935 10 0 GHAERO CC(C)(C)OC(=O)c1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c(F)c1 ZINC000138254125 888398227 /nfs/dbraw/zinc/39/82/27/888398227.db2.gz WLSQKZAMCXXAEO-UHFFFAOYSA-N 1 0 391.487 3.873 10 0 GHAERO CCOCCCCNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245716757 889421269 /nfs/dbraw/zinc/42/12/69/889421269.db2.gz QLNMTVCCBDXIFX-YJBOKZPZSA-N 1 0 385.911 3.588 10 0 GHAERO COC[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000245745363 889611674 /nfs/dbraw/zinc/61/16/74/889611674.db2.gz WOJZNWGOMNVZTC-SIXWZSSISA-N 1 0 397.922 3.540 10 0 GHAERO C[C@H](NC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccncc1 ZINC000245759147 889657832 /nfs/dbraw/zinc/65/78/32/889657832.db2.gz ZAILFJQHLPKXPK-CRFBAAHOSA-N 1 0 390.890 3.927 10 0 GHAERO C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cccc(F)c1F ZINC000245920183 890016645 /nfs/dbraw/zinc/01/66/45/890016645.db2.gz NQQMJDKDRMABSB-YZVOILCLSA-N 1 0 388.462 3.631 10 0 GHAERO CCCCCCNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000246654156 891296732 /nfs/dbraw/zinc/29/67/32/891296732.db2.gz FIFPXOMQLXRISD-SJLPKXTDSA-N 1 0 385.512 3.601 10 0 GHAERO O[C@@H](C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1)c1ccccc1C(F)(F)F ZINC000246998741 891330314 /nfs/dbraw/zinc/33/03/14/891330314.db2.gz IKZUNXFPRAWBIO-PBHICJAKSA-N 1 0 390.409 3.661 10 0 GHAERO CCOc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1OC ZINC000247041047 891337728 /nfs/dbraw/zinc/33/77/28/891337728.db2.gz NYIXLWBIMPVLGO-VQIMIIECSA-N 1 0 398.507 3.521 10 0 GHAERO CCc1cccc2c(CC(=O)N[C@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)c[nH]c21 ZINC000247165525 891350368 /nfs/dbraw/zinc/35/03/68/891350368.db2.gz JGMPHRVBCXQLLD-VGSWGCGISA-N 1 0 390.531 3.695 10 0 GHAERO Cc1cccc(OCCCCC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247334526 891368089 /nfs/dbraw/zinc/36/80/89/891368089.db2.gz YOYVZHVXSVCJRN-OFNKIYASSA-N 1 0 395.547 3.966 10 0 GHAERO O[C@@H](C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1)c1ccc(F)cc1Cl ZINC000248427441 891434823 /nfs/dbraw/zinc/43/48/23/891434823.db2.gz PIDWWSSZDDQPRO-KDOFPFPSSA-N 1 0 392.906 3.710 10 0 GHAERO CSCc1ccccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000248744448 891464895 /nfs/dbraw/zinc/46/48/95/891464895.db2.gz RSZRJHFCLKQLQS-QFBILLFUSA-N 1 0 384.549 3.977 10 0 GHAERO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000248891013 891479796 /nfs/dbraw/zinc/47/97/96/891479796.db2.gz SQODQQBBIALZIK-SRCQZFHVSA-N 1 0 386.414 3.850 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000249427780 891506410 /nfs/dbraw/zinc/50/64/10/891506410.db2.gz IZUNBLUDYLZHBK-ZTFGCOKTSA-N 1 0 398.473 3.712 10 0 GHAERO c1cncc(-c2nc3sc4c(c3c(N3CC[C@H]5CC[C@@H](C3)[NH2+]5)n2)CCCC4)c1 ZINC000333486521 902126604 /nfs/dbraw/zinc/12/66/04/902126604.db2.gz GFQCBOAERQXQPG-CVEARBPZSA-N 1 0 391.544 3.963 10 0 GHAERO COC1(CNC(=O)N2CCC3(CC[NH2+]C3)CC2)CCC(c2ccccc2)CC1 ZINC000333852879 902372657 /nfs/dbraw/zinc/37/26/57/902372657.db2.gz XPWGUSLPXABMAJ-UHFFFAOYSA-N 1 0 385.552 3.515 10 0 GHAERO [NH3+][C@@H]1CC[C@H]2CN(c3nc(-c4cccnc4)nc4sc5c(c43)CCCC5)C[C@@H]12 ZINC000333879946 902392828 /nfs/dbraw/zinc/39/28/28/902392828.db2.gz DEKMUAFYIYAMBN-USXIJHARSA-N 1 0 391.544 3.806 10 0 GHAERO COc1cc(C[N@@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3F)C2)ccc1F ZINC000011753564 204352229 /nfs/dbraw/zinc/35/22/29/204352229.db2.gz RTADALHMOWRTEA-OAQYLSRUSA-N 1 0 379.422 3.930 10 0 GHAERO CCOc1ccc2nc(C[N@@H+]3CCC[C@H](CNC(=O)c4ccco4)C3)ccc2c1 ZINC000011873755 204358764 /nfs/dbraw/zinc/35/87/64/204358764.db2.gz ZBWMRUCENVOCQR-QGZVFWFLSA-N 1 0 393.487 3.869 10 0 GHAERO O[C@@H](CC[NH2+]Cc1ccccc1)c1ccc(F)cc1I ZINC000036400078 205015856 /nfs/dbraw/zinc/01/58/56/205015856.db2.gz IUVJZIDDQDPSAI-INIZCTEOSA-N 1 0 385.220 3.644 10 0 GHAERO Cc1ccccc1-c1ncc(CN2CCc3nc[nH]c3C23CC[NH+](C)CC3)s1 ZINC000065398349 205234084 /nfs/dbraw/zinc/23/40/84/205234084.db2.gz QYUNQMMAFOIWBE-UHFFFAOYSA-N 1 0 393.560 3.821 10 0 GHAERO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH2+]C2CCCCCCC2)CN1Cc1cccnc1 ZINC000299791168 206191310 /nfs/dbraw/zinc/19/13/10/206191310.db2.gz COPZVSYDWDWJCM-YADHBBJMSA-N 1 0 386.584 3.595 10 0 GHAERO CC(C)(C)OC(=O)N[C@H]1CC2(CC[NH2+]CC2)Oc2cc(Br)ccc21 ZINC000675068452 570905873 /nfs/dbraw/zinc/90/58/73/570905873.db2.gz AAUBXVPVQDXFPW-AWEZNQCLSA-N 1 0 397.313 3.920 10 0 GHAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(CSc4nc5ccccc5[nH]4)cc3)C[C@@H]12 ZINC000186935186 835031162 /nfs/dbraw/zinc/03/11/62/835031162.db2.gz PTRIFEHWLYXARF-RCCFBDPRSA-N 1 0 392.528 3.665 10 0 GHAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000329613648 835391010 /nfs/dbraw/zinc/39/10/10/835391010.db2.gz CTVIUHSWDSUGBN-HRAATJIYSA-N 1 0 395.478 3.777 10 0 GHAERO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@H]3c3cnn(C)c3)cc2)C1 ZINC000245877384 844085691 /nfs/dbraw/zinc/08/56/91/844085691.db2.gz YXVIVCFUFFUPGN-GCJKJVERSA-N 1 0 395.551 3.699 10 0 GHAERO C[C@@H]1CCc2[nH]c3ccc(-c4nc([C@H]5C[N@@H+]6CCC[C@@H]6CO5)no4)cc3c2C1 ZINC000329726045 835791782 /nfs/dbraw/zinc/79/17/82/835791782.db2.gz OHZGMZXTPBGOIS-WAWZGNHOSA-N 1 0 378.476 3.878 10 0 GHAERO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000332708091 844541201 /nfs/dbraw/zinc/54/12/01/844541201.db2.gz XDWKZFPYOIUWEP-LNGHQEKWSA-N 1 0 388.596 3.721 10 0 GHAERO CCn1cc(C2CCN(C(=O)N[C@H]3CC[N@@H+]([C@H](C)c4ccccc4)C3)CC2)cn1 ZINC000332871690 844616520 /nfs/dbraw/zinc/61/65/20/844616520.db2.gz RSQMITBJZZQUTI-GCJKJVERSA-N 1 0 395.551 3.628 10 0 GHAERO C[C@@H](Sc1ccc(F)c(F)c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000105678352 841755765 /nfs/dbraw/zinc/75/57/65/841755765.db2.gz VEGCBTQWSGRKOV-ZBFHGGJFSA-N 1 0 376.472 3.836 10 0 GHAERO Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3C[C@@H]4CCC[N@H+]4C[C@H]3C)c12 ZINC000247505295 842715468 /nfs/dbraw/zinc/71/54/68/842715468.db2.gz VJAGUJYOARLFFU-DYVFJYSZSA-N 1 0 394.450 3.646 10 0 GHAERO Cc1ccc(N2CCC([NH2+][C@H](C)c3ccc(N4CCCC4=O)cc3)CC2)nc1 ZINC000163527401 843004106 /nfs/dbraw/zinc/00/41/06/843004106.db2.gz OYVUSSNAZULZFQ-GOSISDBHSA-N 1 0 378.520 3.836 10 0 GHAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCS(=O)(=O)c3ccccc32)CCN1Cc1ccccc1 ZINC000186238545 843059004 /nfs/dbraw/zinc/05/90/04/843059004.db2.gz JOILUNVVQQYQND-SLYNCCJLSA-N 1 0 384.545 3.548 10 0 GHAERO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000162065962 843195982 /nfs/dbraw/zinc/19/59/82/843195982.db2.gz NMHPADJIXAGBLC-CQSZACIVSA-N 1 0 397.332 3.854 10 0 GHAERO Cc1cccnc1/C=C\C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000588453441 843323153 /nfs/dbraw/zinc/32/31/53/843323153.db2.gz XYBCRZWOCAQPSY-QJRAZLAKSA-N 1 0 387.487 3.685 10 0 GHAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)CCCc3csc4ccccc34)C2)CC1 ZINC000150982133 845092907 /nfs/dbraw/zinc/09/29/07/845092907.db2.gz NPSATTFQNJPZLW-HXUWFJFHSA-N 1 0 399.604 3.853 10 0 GHAERO Cc1nc2cc(Br)cc(NC(=O)N3CCC4(CC[NH2+]C4)CC3)c2o1 ZINC000333389308 845135379 /nfs/dbraw/zinc/13/53/79/845135379.db2.gz XDNIYHVUKUWWCI-UHFFFAOYSA-N 1 0 393.285 3.506 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NC(C)(C)c1cccc(F)c1 ZINC000153263866 848332166 /nfs/dbraw/zinc/33/21/66/848332166.db2.gz RGTSJHHQNZSIGR-UZLBHIALSA-N 1 0 384.499 3.666 10 0 GHAERO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)/C=C/c2cccc3cccnc23)CC1 ZINC000155279461 849492093 /nfs/dbraw/zinc/49/20/93/849492093.db2.gz JKIOREUFWKBPEJ-LKGOPFMKSA-N 1 0 386.499 3.985 10 0 GHAERO O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)N1CCC([NH+]2CCCC2)CC1 ZINC000155525940 849546574 /nfs/dbraw/zinc/54/65/74/849546574.db2.gz MIXGSLLPJPJOHA-MRXNPFEDSA-N 1 0 391.384 3.838 10 0 GHAERO CC(C)[C@H](C)NC(=O)C1CC[NH+]([C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)CC1 ZINC000101549520 851671409 /nfs/dbraw/zinc/67/14/09/851671409.db2.gz FGDSDTLDNBAYIM-GBESFXJTSA-N 1 0 399.579 3.616 10 0 GHAERO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000329836615 862360103 /nfs/dbraw/zinc/36/01/03/862360103.db2.gz MNVGWKUTCDOCEY-XLWVJDPXSA-N 1 0 380.414 3.579 10 0 GHAERO Cc1cc([C@@H]2CCCN(c3ccnc(N[C@H]4CCCO[C@@H]4C(C)C)n3)C2)n[nH]1 ZINC000328786068 854555909 /nfs/dbraw/zinc/55/59/09/854555909.db2.gz JACWGZKUGFRMLY-FUHIMQAGSA-N 1 0 384.528 3.508 10 0 GHAERO Cc1noc(C)c1[C@H](C)CC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000157783339 854877511 /nfs/dbraw/zinc/87/75/11/854877511.db2.gz DDGOHMPLARCRIA-ZACQAIPSSA-N 1 0 391.556 3.523 10 0 GHAERO CCOc1ccc([C@H](C)NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1OC ZINC000156859497 857158301 /nfs/dbraw/zinc/15/83/01/857158301.db2.gz YEVFBYJIPGHKMQ-HKUYNNGSSA-N 1 0 389.540 3.815 10 0 GHAERO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000102958891 860920655 /nfs/dbraw/zinc/92/06/55/860920655.db2.gz NTEFQLISFSVLRM-PKOBYXMFSA-N 1 0 387.524 3.774 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1CC2(CC2)c2ccccc21 ZINC000172492266 882289457 /nfs/dbraw/zinc/28/94/57/882289457.db2.gz MDKCLDUMKGCCJS-XLIONFOSSA-N 1 0 376.504 3.553 10 0 GHAERO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C2CCN(c3cccs3)CC2)cc1 ZINC000168442562 870546113 /nfs/dbraw/zinc/54/61/13/870546113.db2.gz QSKPFJAUPVUTBQ-HNNXBMFYSA-N 1 0 393.578 3.829 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3cccc(Oc4ccccn4)c3)CC2)CCO1 ZINC000174510647 882473971 /nfs/dbraw/zinc/47/39/71/882473971.db2.gz SBJVWGSRMQBQAY-QGZVFWFLSA-N 1 0 396.491 3.591 10 0 GHAERO CC(C)[C@@H](C)NC(=O)C1CC[NH+](CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000102400196 873045043 /nfs/dbraw/zinc/04/50/43/873045043.db2.gz YHOJHMNLTSPMTC-QGZVFWFLSA-N 1 0 395.588 3.506 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Cc1ccccc1C(F)(F)F ZINC000116248324 873368216 /nfs/dbraw/zinc/36/82/16/873368216.db2.gz WCZVMRNPWOOUDB-BEFAXECRSA-N 1 0 391.437 3.670 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1nc2ccccc2s1 ZINC000116411951 873504305 /nfs/dbraw/zinc/50/43/05/873504305.db2.gz KLDDFRJUZPVHMK-HOCLYGCPSA-N 1 0 381.505 3.723 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccccc1N1CCCC1 ZINC000116478338 873513530 /nfs/dbraw/zinc/51/35/30/873513530.db2.gz CKEGPEJMLGBRDQ-QUCCMNQESA-N 1 0 393.535 3.714 10 0 GHAERO Cc1ccc2nc(C3CC3)cc(C(=O)N3CCC([N@H+]4CCO[C@H](C)C4)CC3)c2c1 ZINC000176796093 882733341 /nfs/dbraw/zinc/73/33/41/882733341.db2.gz RCVCWSGPCAHZPL-QGZVFWFLSA-N 1 0 393.531 3.746 10 0 GHAERO CCOc1ccc([C@@H](CC)[NH2+]Cc2cccnc2-n2cncn2)cc1OCC ZINC000178056747 882860369 /nfs/dbraw/zinc/86/03/69/882860369.db2.gz UNPGPFCNIYUHDF-GOSISDBHSA-N 1 0 381.480 3.701 10 0 GHAERO O=C(CN1CC[C@]2(O)CCCC[C@@H]2C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000178127292 882888408 /nfs/dbraw/zinc/88/84/08/882888408.db2.gz DFRHBQSVEADFAQ-SJKOYZFVSA-N 1 0 390.833 3.924 10 0 GHAERO C[C@@H]([NH2+]C[C@H]1CCN(C)c2ccccc21)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000180017685 883046227 /nfs/dbraw/zinc/04/62/27/883046227.db2.gz PVBVWPYSKXHOGB-GDBMZVCRSA-N 1 0 376.497 3.504 10 0 GHAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000180826636 883101575 /nfs/dbraw/zinc/10/15/75/883101575.db2.gz FZEMNHPNIMFEKL-CHWSQXEVSA-N 1 0 389.849 3.856 10 0 GHAERO Cn1ccnc1CC1CC[NH+](Cc2ccccc2OCc2ccccn2)CC1 ZINC000121777150 877720079 /nfs/dbraw/zinc/72/00/79/877720079.db2.gz VJSHREBYBDVUMO-UHFFFAOYSA-N 1 0 376.504 3.849 10 0 GHAERO C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182367797 883217611 /nfs/dbraw/zinc/21/76/11/883217611.db2.gz YIJCOVKNJSHYDB-OPAMFIHVSA-N 1 0 379.504 3.720 10 0 GHAERO Cc1cc(C)c(NC(=O)CCC[N@@H+]2CCCN(c3ccccn3)CC2)c(C)c1 ZINC000183812751 883304056 /nfs/dbraw/zinc/30/40/56/883304056.db2.gz QDQAAUAYNFPLJG-UHFFFAOYSA-N 1 0 380.536 3.938 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)CCc2ccc3c(c2)OCO3)c2ccc(F)cc2C1 ZINC000184517600 883351588 /nfs/dbraw/zinc/35/15/88/883351588.db2.gz SYEHALDZTQLGRH-VFNWGFHPSA-N 1 0 398.478 3.959 10 0 GHAERO CN1Cc2cc(NC(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)ccc2NC1=O ZINC000186571172 883664318 /nfs/dbraw/zinc/66/43/18/883664318.db2.gz LQENSEZTUSQQLY-FQEVSTJZSA-N 1 0 393.491 3.623 10 0 GHAERO COc1ccccc1C/C(C)=C/C(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186581132 883665921 /nfs/dbraw/zinc/66/59/21/883665921.db2.gz AQJXDWKFMSHGIK-IBBQJSRESA-N 1 0 393.531 3.750 10 0 GHAERO CN1Cc2cc(NC(=O)NCc3ccccc3C[NH+]3CCCC3)ccc2NC1=O ZINC000186587139 883665984 /nfs/dbraw/zinc/66/59/84/883665984.db2.gz DUEXHAWRAGKDIB-UHFFFAOYSA-N 1 0 393.491 3.581 10 0 GHAERO O=C(CC[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1)c1ccc(F)cc1F ZINC000186634486 883678851 /nfs/dbraw/zinc/67/88/51/883678851.db2.gz RIJNVJDHELOFBS-HNNXBMFYSA-N 1 0 388.462 3.735 10 0 GHAERO C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccccc1 ZINC000186692348 883688140 /nfs/dbraw/zinc/68/81/40/883688140.db2.gz IRDACJDGZWBVFJ-OAHLLOKOSA-N 1 0 395.507 3.915 10 0 GHAERO Cc1cccc(-c2nnc(-c3ccc(C(=O)N4C[C@@H]5CC[C@@H]([NH3+])[C@@H]5C4)cc3)o2)c1 ZINC000186945346 883719701 /nfs/dbraw/zinc/71/97/01/883719701.db2.gz PJOLZVRNTKDHEV-XUVXKRRUSA-N 1 0 388.471 3.521 10 0 GHAERO CN(C(=O)NCC[C@@](C)(O)c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000188350770 883836591 /nfs/dbraw/zinc/83/65/91/883836591.db2.gz KHHVAIKOOBUTLE-XMMPIXPASA-N 1 0 395.547 3.590 10 0 GHAERO CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccnc2)cc1 ZINC000188358393 883836690 /nfs/dbraw/zinc/83/66/90/883836690.db2.gz PVUNWHIMQVDUSY-OAQYLSRUSA-N 1 0 394.519 3.557 10 0 GHAERO O=C(Nc1ccc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1)c1cccs1 ZINC000188749792 883866528 /nfs/dbraw/zinc/86/65/28/883866528.db2.gz RAQFVYBXPNQLMX-UHFFFAOYSA-N 1 0 377.469 3.534 10 0 GHAERO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188751826 883880541 /nfs/dbraw/zinc/88/05/41/883880541.db2.gz JFSQGLYGENJEHC-UHFFFAOYSA-N 1 0 385.826 3.976 10 0 GHAERO COC(=O)c1ccc(Cl)c(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1C ZINC000188816437 883885412 /nfs/dbraw/zinc/88/54/12/883885412.db2.gz YWEPPKBOGRPLNJ-HNNXBMFYSA-N 1 0 393.915 3.775 10 0 GHAERO Brc1ccc([C@H]([NH2+]Cc2cccnc2-n2cncn2)C2CC2)s1 ZINC000190584950 884089963 /nfs/dbraw/zinc/08/99/63/884089963.db2.gz FOOVDDXHVBKCOS-OAHLLOKOSA-N 1 0 390.310 3.727 10 0 GHAERO CCS(=O)(=O)CCCCC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000190872086 884116858 /nfs/dbraw/zinc/11/68/58/884116858.db2.gz SWSFJENTEBOFIF-IBGZPJMESA-N 1 0 389.565 3.861 10 0 GHAERO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCCN1C(=O)c1ccco1 ZINC000041872107 886728283 /nfs/dbraw/zinc/72/82/83/886728283.db2.gz UHTWNOQLXLLVAE-IBGZPJMESA-N 1 0 381.476 3.509 10 0 GHAERO Cc1ccc(NC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1C(F)(F)F ZINC000124512270 886759662 /nfs/dbraw/zinc/75/96/62/886759662.db2.gz RDPLNCJTDXGGFL-AWEZNQCLSA-N 1 0 385.430 3.731 10 0 GHAERO Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000126588577 886982426 /nfs/dbraw/zinc/98/24/26/886982426.db2.gz FPAVMEMCHPMXCZ-QGZVFWFLSA-N 1 0 398.473 3.648 10 0 GHAERO CSc1ccc(NC(=O)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)cc1Cl ZINC000126601128 886988484 /nfs/dbraw/zinc/98/84/84/886988484.db2.gz YCNLNDKOSAVXOY-INIZCTEOSA-N 1 0 396.988 3.696 10 0 GHAERO CC[NH+](CC)CCN(CCOC)C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000105036097 887307591 /nfs/dbraw/zinc/30/75/91/887307591.db2.gz LRFNBVVCNHWOJL-UHFFFAOYSA-N 1 0 379.398 3.667 10 0 GHAERO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccccc1O2 ZINC000194079816 888554511 /nfs/dbraw/zinc/55/45/11/888554511.db2.gz POUVXYMHZAIAAQ-RHSMWYFYSA-N 1 0 383.319 3.675 10 0 GHAERO Cc1n[nH]c(C)c1CCC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245651946 889166831 /nfs/dbraw/zinc/16/68/31/889166831.db2.gz CNYQMOYRLADJSL-QRWLVFNGSA-N 1 0 392.906 3.561 10 0 GHAERO COc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)ccc1OCc1ccncc1 ZINC000246131137 890444478 /nfs/dbraw/zinc/44/44/78/890444478.db2.gz OYTGTECTWHPBBU-VLCRHTCISA-N 1 0 380.488 3.716 10 0 GHAERO CN(C)c1nc(-c2ccccc2)c(C[N@@H+]2CCS[C@H]3COCC[C@H]32)s1 ZINC000246206544 890703754 /nfs/dbraw/zinc/70/37/54/890703754.db2.gz MESLCQJNOVOSIE-WBVHZDCISA-N 1 0 375.563 3.582 10 0 GHAERO Cc1nc(CC(C)C)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000246240593 890811347 /nfs/dbraw/zinc/81/13/47/890811347.db2.gz ZXGULEAHCSZAIU-CRAIPNDOSA-N 1 0 386.565 3.685 10 0 GHAERO CCC(CC)c1cc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)on1 ZINC000246402351 891229245 /nfs/dbraw/zinc/22/92/45/891229245.db2.gz RPVAKIHJTJMSBD-OXQOHEQNSA-N 1 0 399.539 3.683 10 0 GHAERO C[C@H](O)c1ccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000246517891 891282928 /nfs/dbraw/zinc/28/29/28/891282928.db2.gz OJFUIMFOBGNTBE-NPPFBWRTSA-N 1 0 381.520 3.592 10 0 GHAERO C[C@H](CCc1ccccc1F)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246739878 891302192 /nfs/dbraw/zinc/30/21/92/891302192.db2.gz GBTFMONBFSYKTC-JBYIUTFZSA-N 1 0 383.511 3.816 10 0 GHAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccc(N2CCCC2=O)cc1 ZINC000246868380 891317149 /nfs/dbraw/zinc/31/71/49/891317149.db2.gz CINMDYYLKCKSOE-SELNLUPBSA-N 1 0 392.547 3.770 10 0 GHAERO COc1ccccc1C(C)(C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000247037168 891336341 /nfs/dbraw/zinc/33/63/41/891336341.db2.gz NUCBYJLFZQLJLH-FXAWDEMLSA-N 1 0 396.535 3.535 10 0 GHAERO C[C@H](CCc1cccc(F)c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247044280 891338173 /nfs/dbraw/zinc/33/81/73/891338173.db2.gz YDMKMMNRHRHNIY-HMFYCAOWSA-N 1 0 383.511 3.816 10 0 GHAERO CCOc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1OC ZINC000247041031 891338689 /nfs/dbraw/zinc/33/86/89/891338689.db2.gz NYIXLWBIMPVLGO-APWZRJJASA-N 1 0 398.507 3.521 10 0 GHAERO CC(=O)Nc1ccc(/C=C/C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000247068739 891342166 /nfs/dbraw/zinc/34/21/66/891342166.db2.gz UQYNJQQRIAPJFZ-SKOHIPDXSA-N 1 0 383.536 3.771 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000247137926 891348580 /nfs/dbraw/zinc/34/85/80/891348580.db2.gz HPNQAPFSDCGBMV-HGSOSGBHSA-N 1 0 393.531 3.576 10 0 GHAERO C[C@@H](CC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)c1ccccc1C(F)(F)F ZINC000247160317 891349986 /nfs/dbraw/zinc/34/99/86/891349986.db2.gz ALKNCHRNNXXXST-JKSUJKDBSA-N 1 0 398.469 3.911 10 0 GHAERO COc1ccc(SCCC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000247152692 891350181 /nfs/dbraw/zinc/35/01/81/891350181.db2.gz IMSYVRWXJZKMKK-DYESRHJHSA-N 1 0 399.560 3.599 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCc1c[nH]c2ccccc12 ZINC000247274360 891362429 /nfs/dbraw/zinc/36/24/29/891362429.db2.gz RNTPCIOMZCOPHG-LAUBAEHRSA-N 1 0 376.504 3.522 10 0 GHAERO CN(C)c1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(C(F)(F)F)c1 ZINC000247981227 891404093 /nfs/dbraw/zinc/40/40/93/891404093.db2.gz IITHSYOUBIUBQJ-CXAGYDPISA-N 1 0 384.446 3.719 10 0 GHAERO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000248144000 891412817 /nfs/dbraw/zinc/41/28/17/891412817.db2.gz ZCGSVSVYUKKMEV-CTNGQTDRSA-N 1 0 392.503 3.910 10 0 GHAERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(-c4ccncc4)nc4ccccc43)CC[C@H]21 ZINC000248169569 891414259 /nfs/dbraw/zinc/41/42/59/891414259.db2.gz UMKQZTXTZJCBIJ-FDDCHVKYSA-N 1 0 386.499 3.853 10 0 GHAERO CN(Cc1ccco1)Cc1ccccc1CNC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000248946911 891483524 /nfs/dbraw/zinc/48/35/24/891483524.db2.gz ZJZBYJQZIFHTQN-IFMALSPDSA-N 1 0 397.519 3.668 10 0 GHAERO CSCc1cccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000249168873 891499915 /nfs/dbraw/zinc/49/99/15/891499915.db2.gz AHOQYPSHRZEGQR-LAUBAEHRSA-N 1 0 398.576 3.654 10 0 GHAERO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Nc2ccccc2OC2CCCC2)CC1 ZINC000333100921 899961028 /nfs/dbraw/zinc/96/10/28/899961028.db2.gz DVOMUWMBTFMGQV-NQIIRXRSSA-N 1 0 387.524 3.758 10 0 GHAERO COc1cc(C)c(Br)cc1NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333101282 899962171 /nfs/dbraw/zinc/96/21/71/899962171.db2.gz AVDLYFLWYDQHPG-HNNXBMFYSA-N 1 0 396.329 3.762 10 0 GHAERO Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333103190 899963919 /nfs/dbraw/zinc/96/39/19/899963919.db2.gz CPAWVGZHXOAURA-DOTOQJQBSA-N 1 0 385.430 3.764 10 0 GHAERO CC(C)(C)[C@@H]1CCc2nc(NC(=O)N3CCC4(CC[NH2+]C4)CC3)sc2C1 ZINC000333264098 901952492 /nfs/dbraw/zinc/95/24/92/901952492.db2.gz FGSPBPCQNBQQDT-CQSZACIVSA-N 1 0 376.570 3.902 10 0 GHAERO [NH3+][C@@H]1CCC[C@H]2CN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)C[C@H]21 ZINC000333503427 902140186 /nfs/dbraw/zinc/14/01/86/902140186.db2.gz ICAJGBGVBKMYGQ-USXIJHARSA-N 1 0 391.544 3.806 10 0 GHAERO COc1cc(C[N@@H+]2CCC[C@](CO)(Cc3ccc(F)cc3F)C2)ccc1F ZINC000011753565 204351894 /nfs/dbraw/zinc/35/18/94/204351894.db2.gz RTADALHMOWRTEA-NRFANRHFSA-N 1 0 379.422 3.930 10 0 GHAERO CC(C)C[C@@H](C[NH2+][C@@H](C)c1ccc(Br)s1)N1CCOCC1 ZINC000038002017 204777070 /nfs/dbraw/zinc/77/70/70/204777070.db2.gz FOJBKDQMABIDHV-KBPBESRZSA-N 1 0 375.376 3.908 10 0 GHAERO COCC[NH2+]Cc1cc(Br)c(OC(C)C)c(Br)c1 ZINC000040730564 205069439 /nfs/dbraw/zinc/06/94/39/205069439.db2.gz LDWOVEBGKBOPBU-UHFFFAOYSA-N 1 0 381.108 3.735 10 0 GHAERO CC[NH+](CC)CCCNC(=O)c1cc(Br)c(Br)s1 ZINC000049934531 205130514 /nfs/dbraw/zinc/13/05/14/205130514.db2.gz GSVKSXNAPRKYIR-UHFFFAOYSA-N 1 0 398.164 3.735 10 0 GHAERO [NH3+]CCc1nc2ccccc2c(N2CCC(c3nc4cc(F)ccc4[nH]3)CC2)n1 ZINC000067689162 136164809 /nfs/dbraw/zinc/16/48/09/136164809.db2.gz DVRADTTZNGDTSB-UHFFFAOYSA-N 1 0 390.466 3.530 10 0 GHAERO Cc1nc(C(F)(F)F)c(C[N@@H+](C)C2CCN(c3cc(C)nc(C)n3)CC2)s1 ZINC000170595221 570852568 /nfs/dbraw/zinc/85/25/68/570852568.db2.gz QDVYWYYYYYESDA-UHFFFAOYSA-N 1 0 399.486 3.978 10 0 GHAERO CC(C)(C)OC(=O)N[C@@H]1CC2(CC[NH2+]CC2)Oc2ccc(Br)cc21 ZINC000675071171 570906752 /nfs/dbraw/zinc/90/67/52/570906752.db2.gz WPTLRBNFMMMLJC-CQSZACIVSA-N 1 0 397.313 3.920 10 0 GHAERO CN1C[C@@H]([NH2+]Cc2ccc(Br)c(Br)c2)C(C)(C)C1 ZINC000675076166 570910122 /nfs/dbraw/zinc/91/01/22/570910122.db2.gz UUCVLKZAXCKJMC-CYBMUJFWSA-N 1 0 376.136 3.641 10 0 GHAERO Cc1cc(NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cnc1N1CCCC[C@@H]1C ZINC000333117870 844037270 /nfs/dbraw/zinc/03/72/70/844037270.db2.gz HRZGPQAFSZBLFR-FXAWDEMLSA-N 1 0 385.556 3.765 10 0 GHAERO CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000329620626 835449883 /nfs/dbraw/zinc/44/98/83/835449883.db2.gz FLWONLOSFCWDDE-NVXWUHKLSA-N 1 0 381.524 3.588 10 0 GHAERO Cc1cc([C@@H]2CCCN(C(=O)[C@]34CCC[C@@H]3C[N@H+](Cc3ccccc3)C4)C2)[nH]n1 ZINC000328707918 839065470 /nfs/dbraw/zinc/06/54/70/839065470.db2.gz ZSDBZYICRLGATM-LGVFNWMJSA-N 1 0 392.547 3.726 10 0 GHAERO C[C@@H](c1nc(-c2cccs2)no1)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000328752916 840253972 /nfs/dbraw/zinc/25/39/72/840253972.db2.gz NMRJNELWQURJSC-OAGGEKHMSA-N 1 0 390.553 3.680 10 0 GHAERO COCCOc1ccc([C@H](C)[NH2+]C2CCN(c3ccc(C)cn3)CC2)cc1OC ZINC000163488489 843005623 /nfs/dbraw/zinc/00/56/23/843005623.db2.gz BLYUGDQPGLKACE-SFHVURJKSA-N 1 0 399.535 3.743 10 0 GHAERO CC[NH+](CC)CCN(C(=O)/C=C\c1ccncn1)c1cccc(C(F)(F)F)c1 ZINC000588462436 843625017 /nfs/dbraw/zinc/62/50/17/843625017.db2.gz GCDVZHPKNZFTPK-HJWRWDBZSA-N 1 0 392.425 3.884 10 0 GHAERO COC(=O)Nc1cc(C(=O)N2CCC([NH+]3CCCC3)CC2)cc(C(F)(F)F)c1 ZINC000152001670 846125138 /nfs/dbraw/zinc/12/51/38/846125138.db2.gz YTDODFXCJFAIEZ-UHFFFAOYSA-N 1 0 399.413 3.584 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)CCCc3csc4ccccc34)CC2)CCO1 ZINC000153329641 848371388 /nfs/dbraw/zinc/37/13/88/848371388.db2.gz WQQKYRKOEIWOGH-QGZVFWFLSA-N 1 0 386.561 3.936 10 0 GHAERO C[NH+](C)CCOc1ccccc1C(=O)Nc1cccc(OCc2cscn2)c1 ZINC000101523471 851620620 /nfs/dbraw/zinc/62/06/20/851620620.db2.gz DRHSIMHZTYOQBU-UHFFFAOYSA-N 1 0 397.500 3.915 10 0 GHAERO COc1c(C)cc(CN(C)C(=O)NCc2cccc(OCC[NH+](C)C)c2)cc1C ZINC000101607667 851726391 /nfs/dbraw/zinc/72/63/91/851726391.db2.gz LLVPIQGHBFIDCD-UHFFFAOYSA-N 1 0 399.535 3.594 10 0 GHAERO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)c2cccc(Br)c2)C1 ZINC000102343034 854341041 /nfs/dbraw/zinc/34/10/41/854341041.db2.gz AEMTWJRCKDNXHT-HNNXBMFYSA-N 1 0 381.358 3.963 10 0 GHAERO C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CCC[C@H]2c2nc(C(=O)NC3CC3)no2)C1 ZINC000328607694 854481738 /nfs/dbraw/zinc/48/17/38/854481738.db2.gz LLEPXPKOLQQSOS-FGSXEWAUSA-N 1 0 380.492 3.609 10 0 GHAERO C[C@H]1CCc2c(sc3nc(C[NH2+][C@@H]4CCC(=O)NC45CCC5)nc(N)c23)C1 ZINC000328725359 854505530 /nfs/dbraw/zinc/50/55/30/854505530.db2.gz ZBHHPIYTBRNVCQ-SMDDNHRTSA-N 1 0 385.537 3.530 10 0 GHAERO O=C1CC[C@H](NCc2nc(-c3ccc(C(F)(F)F)cc3)no2)C2(CCC2)N1 ZINC000328705086 854516461 /nfs/dbraw/zinc/51/64/61/854516461.db2.gz PDAXXGVFPZFOQR-ZDUSSCGKSA-N 1 0 380.370 3.887 10 0 GHAERO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000136581372 855513803 /nfs/dbraw/zinc/51/38/03/855513803.db2.gz YXUUNVWYQXAPQQ-GMAHTHKFSA-N 1 0 385.552 3.509 10 0 GHAERO CCOc1ccc([C@H](C)NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1OC ZINC000156859793 857158919 /nfs/dbraw/zinc/15/89/19/857158919.db2.gz YEVFBYJIPGHKMQ-PKOBYXMFSA-N 1 0 389.540 3.815 10 0 GHAERO O=C(CC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2)N1CCc2sccc2C1 ZINC000102929297 860904188 /nfs/dbraw/zinc/90/41/88/860904188.db2.gz BYWQEHSUCZYVEZ-KRWDZBQOSA-N 1 0 384.501 3.589 10 0 GHAERO C[NH+](C)Cc1cccc(CNC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000102940820 860910664 /nfs/dbraw/zinc/91/06/64/860910664.db2.gz PQVRYRXKIYFDMK-LJQANCHMSA-N 1 0 381.476 3.524 10 0 GHAERO C[C@H](c1ccccc1)N1C[C@H](C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1=O ZINC000177239397 863317444 /nfs/dbraw/zinc/31/74/44/863317444.db2.gz KCOUVIMVLBMZQU-UYAOXDASSA-N 1 0 397.563 3.509 10 0 GHAERO COc1ccccc1CCN(C)C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000103866980 864101223 /nfs/dbraw/zinc/10/12/23/864101223.db2.gz CFBDANXOPIEPRP-LJQANCHMSA-N 1 0 385.508 3.618 10 0 GHAERO O=C(CN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)NC1CCCCC1 ZINC000102401015 865117338 /nfs/dbraw/zinc/11/73/38/865117338.db2.gz JIWOIGHOQZCZSH-INIZCTEOSA-N 1 0 386.471 3.504 10 0 GHAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c21 ZINC000113224280 866753455 /nfs/dbraw/zinc/75/34/55/866753455.db2.gz JIBUGYYYJSTVJW-GOEBONIOSA-N 1 0 396.535 3.998 10 0 GHAERO C[C@H](CC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1)c1ccccc1C(F)(F)F ZINC000172913512 882323306 /nfs/dbraw/zinc/32/33/06/882323306.db2.gz ALKNCHRNNXXXST-CVEARBPZSA-N 1 0 398.469 3.911 10 0 GHAERO O=C(CC[NH+]1CCC(Nc2ccccc2F)CC1)N1CCc2sccc2C1 ZINC000173535941 882375470 /nfs/dbraw/zinc/37/54/70/882375470.db2.gz XOFUKUUZTNENRK-UHFFFAOYSA-N 1 0 387.524 3.739 10 0 GHAERO C[C@H](C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1)c1ccc2ccccc2c1 ZINC000175551026 882596200 /nfs/dbraw/zinc/59/62/00/882596200.db2.gz INTCBQWUMMZVTI-WMZHIEFXSA-N 1 0 379.548 3.572 10 0 GHAERO Cc1cccc2[nH]c(CCC(=O)N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)nc21 ZINC000175965138 882651019 /nfs/dbraw/zinc/65/10/19/882651019.db2.gz BQVGIOCUEWNANT-LJQANCHMSA-N 1 0 382.552 3.774 10 0 GHAERO COc1ccc(Cl)c(NC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000116492631 873517218 /nfs/dbraw/zinc/51/72/18/873517218.db2.gz IPEQVCYNTDAHGR-KDOFPFPSSA-N 1 0 388.899 3.776 10 0 GHAERO Cc1cccc2[nH]c(CCC(=O)N(C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)nc21 ZINC000177656406 882840285 /nfs/dbraw/zinc/84/02/85/882840285.db2.gz IAXAONCGAWOTGJ-HXUWFJFHSA-N 1 0 390.531 3.784 10 0 GHAERO CC[C@H](C(=O)N1CCC([NH2+]Cc2ccc(O)c(OC)c2)CC1)c1ccccc1 ZINC000180120519 883020929 /nfs/dbraw/zinc/02/09/29/883020929.db2.gz QBNGHXUSJNCRAB-FQEVSTJZSA-N 1 0 382.504 3.675 10 0 GHAERO Cc1cc(NC(=O)N2CCC([NH+]3CCCC3)CC2)nn1-c1cccc(Cl)c1 ZINC000180400657 883055903 /nfs/dbraw/zinc/05/59/03/883055903.db2.gz UZEWOTBUSLPVJP-UHFFFAOYSA-N 1 0 387.915 3.926 10 0 GHAERO Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000180415973 883056748 /nfs/dbraw/zinc/05/67/48/883056748.db2.gz OWKLXYDRMLCHHO-RBUKOAKNSA-N 1 0 398.551 3.614 10 0 GHAERO CSc1ccc(Cl)cc1NC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000180320149 883075258 /nfs/dbraw/zinc/07/52/58/883075258.db2.gz UHPJZDOXDQPNQK-MRXNPFEDSA-N 1 0 396.988 3.696 10 0 GHAERO Cc1cc(C(=O)N2CCC(Cc3nccn3C)CC2)nn1-c1ccccc1Cl ZINC000180768901 883098060 /nfs/dbraw/zinc/09/80/60/883098060.db2.gz HQFPJZOLOLXEBG-UHFFFAOYSA-N 1 0 397.910 3.663 10 0 GHAERO C[C@@H]([NH2+]CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1ccncc1 ZINC000181588890 883165773 /nfs/dbraw/zinc/16/57/73/883165773.db2.gz DRXDAJMDDLHCJE-OPAMFIHVSA-N 1 0 377.513 3.968 10 0 GHAERO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000182536802 883225624 /nfs/dbraw/zinc/22/56/24/883225624.db2.gz FZNHGLJLSWSTLR-ZHRRBRCNSA-N 1 0 395.503 3.668 10 0 GHAERO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc3c(c2)OCCO3)c2ccc(F)cc2C1 ZINC000184517623 883351407 /nfs/dbraw/zinc/35/14/07/883351407.db2.gz NMSLUNYEGQEUDL-VBKZILBWSA-N 1 0 384.451 3.741 10 0 GHAERO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cnc3cc(C)nn3c2C)c2ccc(F)cc2C1 ZINC000184529512 883352866 /nfs/dbraw/zinc/35/28/66/883352866.db2.gz MUYPOTIUDOADRR-SPLOXXLWSA-N 1 0 395.482 3.629 10 0 GHAERO COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000184523544 883353132 /nfs/dbraw/zinc/35/31/32/883353132.db2.gz YTLZZRQKYKXJDL-LHSJRXKWSA-N 1 0 386.467 3.987 10 0 GHAERO C[N@H+](CCC(=O)c1ccc(F)cc1F)C1CCN(CCc2ccccn2)CC1 ZINC000187133924 883748652 /nfs/dbraw/zinc/74/86/52/883748652.db2.gz TXLOFQAUIHVVJD-UHFFFAOYSA-N 1 0 387.474 3.572 10 0 GHAERO Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cs1 ZINC000187136341 883750380 /nfs/dbraw/zinc/75/03/80/883750380.db2.gz HZBMAPKEKKQJQH-CVAIRZPRSA-N 1 0 399.564 3.604 10 0 GHAERO COc1ccc(CC2CCN(C(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)CC2)cc1 ZINC000105273212 884687180 /nfs/dbraw/zinc/68/71/80/884687180.db2.gz HKLDZMWYJXLSFW-NRFANRHFSA-N 1 0 387.568 3.780 10 0 GHAERO CCC[NH+]1CCC(CNS(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000104113525 885292764 /nfs/dbraw/zinc/29/27/64/885292764.db2.gz AACLGOQJUCFNNW-UHFFFAOYSA-N 1 0 379.353 3.535 10 0 GHAERO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000114822108 886328065 /nfs/dbraw/zinc/32/80/65/886328065.db2.gz RCSFQMWZHWROKO-LJQANCHMSA-N 1 0 384.549 3.828 10 0 GHAERO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CCC[C@@H](c2nccs2)C1 ZINC000114819623 886328730 /nfs/dbraw/zinc/32/87/30/886328730.db2.gz QKVAXVAXEDDTOL-CVEARBPZSA-N 1 0 390.578 3.931 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C1(c2cccc(F)c2)CCC1 ZINC000116252481 886358550 /nfs/dbraw/zinc/35/85/50/886358550.db2.gz VVEBXVJECJZLPL-UWJYYQICSA-N 1 0 381.495 3.669 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000116526158 886364340 /nfs/dbraw/zinc/36/43/40/886364340.db2.gz HUMJPAQTEZNMEX-HPFXQQBRSA-N 1 0 398.473 3.712 10 0 GHAERO COc1ccc(OC)c(CCC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000129036603 887253270 /nfs/dbraw/zinc/25/32/70/887253270.db2.gz MFPWXHXDEVKZLW-UHFFFAOYSA-N 1 0 396.531 3.759 10 0 GHAERO O=C(C1CC[NH+](C2CC2)CC1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000194606791 888598448 /nfs/dbraw/zinc/59/84/48/888598448.db2.gz WILWRVJAFPOKBN-IBGZPJMESA-N 1 0 378.520 3.657 10 0 GHAERO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H](c3cccs3)c3ncc[nH]3)C2)c1 ZINC000195059740 888641179 /nfs/dbraw/zinc/64/11/79/888641179.db2.gz FYQWBWHOTYNISD-QRWLVFNGSA-N 1 0 398.532 3.694 10 0 GHAERO Cn1cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c(-c2cccnc2)n1 ZINC000245734145 889558961 /nfs/dbraw/zinc/55/89/61/889558961.db2.gz FMECBMSEUVKGOK-LEWJYISDSA-N 1 0 380.467 3.709 10 0 GHAERO CN(Cc1ccncc1)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245739923 889595711 /nfs/dbraw/zinc/59/57/11/889595711.db2.gz VLXUTRHPTVCCQW-VQIMIIECSA-N 1 0 390.890 3.709 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000245811006 889769017 /nfs/dbraw/zinc/76/90/17/889769017.db2.gz QWYWWVYIKXDVJH-YVEFUNNKSA-N 1 0 393.318 3.611 10 0 GHAERO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1csc([C@H]2CCCO2)n1 ZINC000245951423 890063750 /nfs/dbraw/zinc/06/37/50/890063750.db2.gz VQGPGBFEZGMOPP-PKOBYXMFSA-N 1 0 385.533 3.589 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3cccc(SC(F)F)c3)CC2)CCO1 ZINC000067356804 891148487 /nfs/dbraw/zinc/14/84/87/891148487.db2.gz GLXDVHYRXWFOBE-ZDUSSCGKSA-N 1 0 385.480 3.718 10 0 GHAERO O=C(CN1CCC[C@H]1C[C@@H](O)c1ccco1)Nc1nc(-c2ccco2)cs1 ZINC000246660066 891296495 /nfs/dbraw/zinc/29/64/95/891296495.db2.gz PVVFFLMPIYNJIZ-DZGCQCFKSA-N 1 0 387.461 3.523 10 0 GHAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC[C@@H](c3nccs3)C2)C1 ZINC000246697149 891298636 /nfs/dbraw/zinc/29/86/36/891298636.db2.gz JJGMKWACWJZCBL-FGTMMUONSA-N 1 0 378.586 3.790 10 0 GHAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(-c3cccnc3)nc3ccccc32)C1 ZINC000246748273 891304107 /nfs/dbraw/zinc/30/41/07/891304107.db2.gz ZQQGGJBUWFMFHH-MBSDFSHPSA-N 1 0 386.499 3.853 10 0 GHAERO CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c2ccccc21 ZINC000247329749 891368162 /nfs/dbraw/zinc/36/81/62/891368162.db2.gz YBPBDXBFKZJNRJ-DYESRHJHSA-N 1 0 376.504 3.697 10 0 GHAERO CSCCCCCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000248483619 891439628 /nfs/dbraw/zinc/43/96/28/891439628.db2.gz JOHOJISWFMIWEE-PKOBYXMFSA-N 1 0 378.586 3.515 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N[C@H]1CCCc2sccc21 ZINC000248719137 891461427 /nfs/dbraw/zinc/46/14/27/891461427.db2.gz LIGBRNQNOVMAGP-MNEFBYGVSA-N 1 0 384.549 3.730 10 0 GHAERO O=C(c1nc2cccnc2s1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248731370 891463024 /nfs/dbraw/zinc/46/30/24/891463024.db2.gz KUXRVDARAKYRGH-PKOBYXMFSA-N 1 0 392.528 3.818 10 0 GHAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)C[C@H]1C ZINC000248775699 891468297 /nfs/dbraw/zinc/46/82/97/891468297.db2.gz YZUALDKRBOLUEW-HCKZWYBISA-N 1 0 390.499 3.577 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCc1ccc(C(F)F)cc1 ZINC000248842131 891475167 /nfs/dbraw/zinc/47/51/67/891475167.db2.gz NVBVVVSVAQMAEL-HNAYVOBHSA-N 1 0 388.462 3.729 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(F)c(Cl)c1F ZINC000248898892 891479577 /nfs/dbraw/zinc/47/95/77/891479577.db2.gz VXURPDLDKPUBOA-BLLLJJGKSA-N 1 0 379.838 3.654 10 0 GHAERO C[N@@H+]1CC[C@H](CN[C@H](c2ncc[nH]2)c2cccnc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249106995 891495612 /nfs/dbraw/zinc/49/56/12/891495612.db2.gz PRVSZMGBZXOPKS-LSTHTHJFSA-N 1 0 399.901 3.969 10 0 GHAERO C[N@@H+]1CCC[C@H]2CN(Cc3nc(=O)c4c(-c5ccco5)csc4[nH]3)CC[C@H]21 ZINC000253553665 891879587 /nfs/dbraw/zinc/87/95/87/891879587.db2.gz FYHJTUNZNCDVSG-DZGCQCFKSA-N 1 0 384.505 3.573 10 0 GHAERO Cc1ccc([C@@H](CNC(=O)N(C)Cc2ccc(Cl)nc2)[NH+]2CCCC2)o1 ZINC000102038563 897991042 /nfs/dbraw/zinc/99/10/42/897991042.db2.gz JXZZDHWLBPGJRF-MRXNPFEDSA-N 1 0 376.888 3.615 10 0 GHAERO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1cnn(-c2ccc(F)cc2)c1 ZINC000333200810 900031656 /nfs/dbraw/zinc/03/16/56/900031656.db2.gz ZAXGGZYJOHHVGY-FLUSEDSTSA-N 1 0 398.526 3.945 10 0 GHAERO Cc1cccc(NC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1Br ZINC000333276726 901963304 /nfs/dbraw/zinc/96/33/04/901963304.db2.gz GXJZGKLINMMUNW-YOEHRIQHSA-N 1 0 396.329 3.508 10 0 GHAERO O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333447941 902097086 /nfs/dbraw/zinc/09/70/86/902097086.db2.gz XBFKTJYFPNWLRE-VQTJNVASSA-N 1 0 383.536 3.997 10 0 GHAERO [NH3+][C@@H]1CCC[C@H]2CN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)C[C@@H]21 ZINC000333503424 902139983 /nfs/dbraw/zinc/13/99/83/902139983.db2.gz ICAJGBGVBKMYGQ-BHYGNILZSA-N 1 0 391.544 3.806 10 0 GHAERO [NH3+][C@H]1CCCO[C@H]1C1CCN(c2nccc3cc(C(F)(F)F)ccc32)CC1 ZINC000333716066 902287784 /nfs/dbraw/zinc/28/77/84/902287784.db2.gz TVOZJVUTRIGAQV-ROUUACIJSA-N 1 0 379.426 3.976 10 0 GHAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000333780332 902326762 /nfs/dbraw/zinc/32/67/62/902326762.db2.gz DQEJQJAFCKERON-IEBWSBKVSA-N 1 0 385.487 3.595 10 0 GHAERO Cc1nc([C@@H]2CCCN2C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cs1 ZINC000186754355 907980692 /nfs/dbraw/zinc/98/06/92/907980692.db2.gz GZWOCIUPEKUNNX-ROUUACIJSA-N 1 0 376.501 3.740 10 0 GHAERO CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC[C@H]2c2csc(C)n2)CC1 ZINC000186895246 908002306 /nfs/dbraw/zinc/00/23/06/908002306.db2.gz RLNBPYDVPFHBIP-FQEVSTJZSA-N 1 0 399.564 3.962 10 0 GHAERO Cc1ccsc1C(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000012752389 204441769 /nfs/dbraw/zinc/44/17/69/204441769.db2.gz IUXYBJIIJUGMLW-QGZVFWFLSA-N 1 0 383.517 3.681 10 0 GHAERO CC(=O)OCc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)[N+](=O)C2 ZINC000022047009 204772635 /nfs/dbraw/zinc/77/26/35/204772635.db2.gz ONGVPBKMUBDIMA-UHFFFAOYSA-N 1 0 399.809 3.589 10 0 in-vitro GHAERO Fc1ccccc1N1CCN(Cc2cccc(OC[C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000299799272 206192651 /nfs/dbraw/zinc/19/26/51/206192651.db2.gz RVDIIWLYFNZNIW-HXUWFJFHSA-N 1 0 383.511 3.526 10 0 GHAERO CCOc1c(Cl)cc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2CC)cc1OC ZINC000190425919 206211359 /nfs/dbraw/zinc/21/13/59/206211359.db2.gz CLTSVJBLOAVLHV-LPHOPBHVSA-N 1 0 393.915 3.974 10 0 GHAERO COc1cccc(CN2CCC[C@@]3(CC[N@H+](CCCC(F)(F)F)C3)C2=O)c1 ZINC000012612374 570690590 /nfs/dbraw/zinc/69/05/90/570690590.db2.gz LOWFEPWHJACTRV-IBGZPJMESA-N 1 0 384.442 3.852 10 0 GHAERO OCC[NH2+]CCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000013732971 570783591 /nfs/dbraw/zinc/78/35/91/570783591.db2.gz LSKXRKLKQQPIHW-UHFFFAOYSA-N 1 0 383.319 3.634 10 0 GHAERO NC(=O)c1ccc(-c2nc(CN3CCC[C@H](c4nccs4)C3)cs2)cc1 ZINC000157022536 834699979 /nfs/dbraw/zinc/69/99/79/834699979.db2.gz LIVIHWANBGOHKP-HNNXBMFYSA-N 1 0 384.530 3.745 10 0 GHAERO Cc1noc2nc(-c3ccccc3)cc(C(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)c12 ZINC000113229035 837822731 /nfs/dbraw/zinc/82/27/31/837822731.db2.gz SCYFIGUKMWKCIF-WMLDXEAASA-N 1 0 376.460 3.507 10 0 GHAERO Cc1cc(Br)cc(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)c1 ZINC000329654264 835538758 /nfs/dbraw/zinc/53/87/58/835538758.db2.gz FFUXWYBNXJEPDH-WMLDXEAASA-N 1 0 378.270 3.733 10 0 GHAERO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000163404215 842989631 /nfs/dbraw/zinc/98/96/31/842989631.db2.gz VASRCDLSIFKPTM-UHFFFAOYSA-N 1 0 377.916 3.635 10 0 GHAERO Cc1ccc(N2CCC([NH2+][C@H](C)c3ccc(NC(=O)NC4CC4)cc3)CC2)nc1 ZINC000163461746 842995050 /nfs/dbraw/zinc/99/50/50/842995050.db2.gz ICBLEINJIAJVHM-QGZVFWFLSA-N 1 0 393.535 3.994 10 0 GHAERO O=C(Cc1c[nH]c2cc(Br)ccc12)N1CCC([NH+]2CCCC2)CC1 ZINC000162064497 843195889 /nfs/dbraw/zinc/19/58/89/843195889.db2.gz MOVQARMBUOZDQW-UHFFFAOYSA-N 1 0 390.325 3.560 10 0 GHAERO Cc1ccc(-c2nnc(CN3CCC(CC[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)o2)cc1 ZINC000330334492 843711223 /nfs/dbraw/zinc/71/12/23/843711223.db2.gz YQVCHWXTLLEVHY-RTBURBONSA-N 1 0 398.551 3.756 10 0 GHAERO Cc1c([C@H](C)[NH2+]Cc2ccc(-n3ccnc3)c(F)c2)cnn1-c1ccccn1 ZINC000153641268 848826713 /nfs/dbraw/zinc/82/67/13/848826713.db2.gz SYJVDNGJGNCMPQ-HNNXBMFYSA-N 1 0 376.439 3.751 10 0 GHAERO O[C@H](CO[C@@H]1CCCc2ccccc21)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000329812115 862338577 /nfs/dbraw/zinc/33/85/77/862338577.db2.gz NAMUPCBCKWLZBB-SMQFJCFBSA-N 1 0 387.564 3.847 10 0 GHAERO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@@H]2CCCc3c(Cl)cccc32)CC(=O)N1C ZINC000330162056 862626242 /nfs/dbraw/zinc/62/62/42/862626242.db2.gz ABHJUWSEHJHQOJ-DBXWQHBBSA-N 1 0 386.927 3.629 10 0 GHAERO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1F ZINC000102700089 860821988 /nfs/dbraw/zinc/82/19/88/860821988.db2.gz GQUYLXDJCCNXOZ-HNNXBMFYSA-N 1 0 399.466 3.641 10 0 GHAERO CN(C[C@@H]1CCCO1)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000102902687 860842881 /nfs/dbraw/zinc/84/28/81/860842881.db2.gz OZPKUJSAEWMOKS-NRFANRHFSA-N 1 0 381.520 3.736 10 0 GHAERO Cc1cc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)nn1-c1ccccc1 ZINC000103093339 863893808 /nfs/dbraw/zinc/89/38/08/863893808.db2.gz OXOTVOMKPDWVSC-HXUWFJFHSA-N 1 0 380.536 3.909 10 0 GHAERO C[C@@]1(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CCCc2ccccc21 ZINC000104924097 864692365 /nfs/dbraw/zinc/69/23/65/864692365.db2.gz BUJMPDALTUJRPL-RUZDIDTESA-N 1 0 392.543 3.554 10 0 GHAERO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C2CCN(c3cccs3)CC2)cc1 ZINC000168442468 870545963 /nfs/dbraw/zinc/54/59/63/870545963.db2.gz QSKPFJAUPVUTBQ-OAHLLOKOSA-N 1 0 393.578 3.829 10 0 GHAERO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000106787149 870620481 /nfs/dbraw/zinc/62/04/81/870620481.db2.gz GLFIMYBWGNMKNC-CQSZACIVSA-N 1 0 392.425 3.638 10 0 GHAERO O=C(COc1ccccc1C[N@@H+]1CCC[C@@H](c2nccs2)C1)N1CCCC1 ZINC000092788890 882439632 /nfs/dbraw/zinc/43/96/32/882439632.db2.gz NYMHOIKZWHDIQO-GOSISDBHSA-N 1 0 385.533 3.524 10 0 GHAERO COc1cc(NC(=O)N2CCC([NH+]3CCCC3)CC2)ccc1Br ZINC000175017525 882515494 /nfs/dbraw/zinc/51/54/94/882515494.db2.gz BARXVPUKPCIFFI-UHFFFAOYSA-N 1 0 382.302 3.550 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3ccccc3OC(C)(C)C)CC2)CCO1 ZINC000115777377 873161722 /nfs/dbraw/zinc/16/17/22/873161722.db2.gz SMZHTSVSADTJDL-INIZCTEOSA-N 1 0 375.513 3.581 10 0 GHAERO CCOc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1OC ZINC000116478969 873513486 /nfs/dbraw/zinc/51/34/86/873513486.db2.gz NYIXLWBIMPVLGO-QFBILLFUSA-N 1 0 398.507 3.521 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc(F)cc1Cl ZINC000116475426 873513597 /nfs/dbraw/zinc/51/35/97/873513597.db2.gz BNYFQSFWMSJQNN-GUYCJALGSA-N 1 0 376.863 3.906 10 0 GHAERO C[C@@H](CC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1)Cc1ccc(Cl)cc1 ZINC000180064877 883048073 /nfs/dbraw/zinc/04/80/73/883048073.db2.gz MHJUVVCUQJMBDP-NQIIRXRSSA-N 1 0 391.987 3.537 10 0 GHAERO Cc1c(NC(=O)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)cccc1C(F)(F)F ZINC000180589647 883082423 /nfs/dbraw/zinc/08/24/23/883082423.db2.gz YVHUEIWMBWGGOI-INIZCTEOSA-N 1 0 398.473 3.648 10 0 GHAERO COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000184523581 883353094 /nfs/dbraw/zinc/35/30/94/883353094.db2.gz YTLZZRQKYKXJDL-QKKBWIMNSA-N 1 0 386.467 3.987 10 0 GHAERO COc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c(OC)c1 ZINC000184537769 883354717 /nfs/dbraw/zinc/35/47/17/883354717.db2.gz LBGSMQSNPGSXEV-SZNDQCEHSA-N 1 0 386.467 3.987 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+]Cc2cnc(-c3ccccc3)[nH]2)c2ccc(F)cc2C1 ZINC000185362384 883441352 /nfs/dbraw/zinc/44/13/52/883441352.db2.gz JSWQYCZDBCAQMO-NRFANRHFSA-N 1 0 378.451 3.799 10 0 GHAERO Cc1ccc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)cc1NC(=O)c1ccccc1 ZINC000186545116 883663166 /nfs/dbraw/zinc/66/31/66/883663166.db2.gz SYYODOTVAUIFOI-LJQANCHMSA-N 1 0 377.488 3.604 10 0 GHAERO CN1Cc2cc(NC(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)ccc2NC1=O ZINC000186664255 883684090 /nfs/dbraw/zinc/68/40/90/883684090.db2.gz HXGVTXIUQVBRCH-SFHVURJKSA-N 1 0 397.479 3.606 10 0 GHAERO C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(F)cc1F ZINC000116519265 886362936 /nfs/dbraw/zinc/36/29/36/886362936.db2.gz BDUUBNDCLURSGM-AVYPCKFXSA-N 1 0 388.462 3.631 10 0 GHAERO Cc1nc2cc(NC(=O)N[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)ccc2o1 ZINC000116568962 886368191 /nfs/dbraw/zinc/36/81/91/886368191.db2.gz IEYQHIVXCJJEEQ-KBXCAEBGSA-N 1 0 379.464 3.563 10 0 GHAERO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000124129658 886707686 /nfs/dbraw/zinc/70/76/86/886707686.db2.gz RHIOENMPMPKEDK-MOPGFXCFSA-N 1 0 387.568 3.631 10 0 GHAERO C[C@H](O)CC(C)(C)CNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245655918 889173452 /nfs/dbraw/zinc/17/34/52/889173452.db2.gz DMNXBIGSEMPFSN-YEWWUXTCSA-N 1 0 399.938 3.568 10 0 GHAERO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000245879806 889922175 /nfs/dbraw/zinc/92/21/75/889922175.db2.gz NLXOWWUOBOFRBT-LZQZEXGQSA-N 1 0 376.907 3.946 10 0 GHAERO COc1ccc(OCc2nc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)cs2)cc1 ZINC000246155688 890558280 /nfs/dbraw/zinc/55/82/80/890558280.db2.gz QQUVHDQREKDUDV-MISYRCLQSA-N 1 0 386.517 3.778 10 0 GHAERO CCOc1cc2c(cc1/C=C/C(=O)N1CC[NH+](C3CCCC3)CC1)O[C@H](C)C2 ZINC000105902708 890937814 /nfs/dbraw/zinc/93/78/14/890937814.db2.gz LSPLWWIENOXLFI-KBOKABMXSA-N 1 0 384.520 3.509 10 0 GHAERO CN(C)C(=O)c1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)[nH]1 ZINC000246477470 891272535 /nfs/dbraw/zinc/27/25/35/891272535.db2.gz OSHVHALIOTXKIS-SJLPKXTDSA-N 1 0 375.538 3.646 10 0 GHAERO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CCC[C@@H](c2nccs2)C1 ZINC000246643473 891295587 /nfs/dbraw/zinc/29/55/87/891295587.db2.gz AFXVLFFGQXRNFP-VQTJNVASSA-N 1 0 398.576 3.597 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc(F)cc1Cl ZINC000246811479 891309547 /nfs/dbraw/zinc/30/95/47/891309547.db2.gz BNYFQSFWMSJQNN-CXAGYDPISA-N 1 0 376.863 3.906 10 0 GHAERO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccn1Cc1cccs1 ZINC000246883194 891319716 /nfs/dbraw/zinc/31/97/16/891319716.db2.gz BCUFTBYZGOAMNJ-XMSQKQJNSA-N 1 0 380.561 3.993 10 0 GHAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc4oc(C(F)(F)F)nc4c3)CC[C@H]21 ZINC000248012357 891402125 /nfs/dbraw/zinc/40/21/25/891402125.db2.gz LKDXGVMNVDCTCX-BXUZGUMPSA-N 1 0 382.386 3.795 10 0 GHAERO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(NC(=O)C3CC3)c2)[C@H]1c1ccccc1 ZINC000248035547 891407756 /nfs/dbraw/zinc/40/77/56/891407756.db2.gz LASIYVOMFCAOSJ-WOJBJXKFSA-N 1 0 378.476 3.602 10 0 GHAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3csc(-c4c(F)cccc4F)n3)CC[C@H]21 ZINC000248169526 891414206 /nfs/dbraw/zinc/41/42/06/891414206.db2.gz ULUQWWBSVUKNGW-MLGOLLRUSA-N 1 0 377.460 3.645 10 0 GHAERO C[C@@H](C(=O)Nc1ccccc1OC(F)F)N1CCC[C@@H](c2nccs2)C1 ZINC000249867646 891528042 /nfs/dbraw/zinc/52/80/42/891528042.db2.gz IKGODUOMKFLIJZ-QWHCGFSZSA-N 1 0 381.448 3.951 10 0 GHAERO CCCOc1ccc(NC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c(C)c1 ZINC000079549157 892417794 /nfs/dbraw/zinc/41/77/94/892417794.db2.gz BGROYDLFDCFAPQ-QGZVFWFLSA-N 1 0 375.513 3.501 10 0 GHAERO O=C(Nc1c(-c2cccs2)nc2ccccn21)N1CCC2(CC[NH2+]C2)CC1 ZINC000333172942 900011560 /nfs/dbraw/zinc/01/15/60/900011560.db2.gz QDQDINIIRIIHNY-UHFFFAOYSA-N 1 0 381.505 3.670 10 0 GHAERO Cc1ccc(NC(=O)N2CCC3(CC[NH2+]C3)CC2)c(-c2nc(C3CC3)no2)c1 ZINC000333176931 900014404 /nfs/dbraw/zinc/01/44/04/900014404.db2.gz OWTBSFJJWBARNI-UHFFFAOYSA-N 1 0 381.480 3.530 10 0 GHAERO Cc1c(Br)cccc1NC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333209891 900038898 /nfs/dbraw/zinc/03/88/98/900038898.db2.gz ZLVBRMHFEYHRSJ-RDJZCZTQSA-N 1 0 396.329 3.508 10 0 GHAERO Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)N2CCC3(CC[NH2+]3)CC2)c1 ZINC000333259385 901948906 /nfs/dbraw/zinc/94/89/06/901948906.db2.gz IQCYNILJAPYQPN-UHFFFAOYSA-N 1 0 381.524 3.838 10 0 GHAERO O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333347244 902026168 /nfs/dbraw/zinc/02/61/68/902026168.db2.gz QVLQNWMJDZGLAY-OAQYLSRUSA-N 1 0 393.535 3.882 10 0 GHAERO C[C@@H]1CCC[C@@H](CCNC(=O)N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)C1 ZINC000333430459 902084136 /nfs/dbraw/zinc/08/41/36/902084136.db2.gz JYCBOHWXXXLWKC-XODKDNOYSA-N 1 0 389.588 3.661 10 0 GHAERO c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](Nc2ccc3c(c2)OCO3)C1 ZINC000011937922 204364947 /nfs/dbraw/zinc/36/49/47/204364947.db2.gz VFGOEFILJIJLBV-LJQANCHMSA-N 1 0 376.460 3.678 10 0 GHAERO NC(=O)c1cnc(N[C@H]2CCC[NH2+]C2)c2cc(-c3ccc(Cl)cc3)sc21 ZINC000043132585 205082208 /nfs/dbraw/zinc/08/22/08/205082208.db2.gz QTBPGDBHORPJSA-ZDUSSCGKSA-N 1 0 386.908 3.880 10 0 in-vitro GHAERO Cc1cc(Oc2ncnc(N(C)C3CC[NH+](C)CC3)c2N)cc(C)c1Cl ZINC000040797990 205072190 /nfs/dbraw/zinc/07/21/90/205072190.db2.gz PVHIWLVKLBMUEY-UHFFFAOYSA-N 1 0 375.904 3.652 10 0 GHAERO COc1ccc(-c2nc(NCC3CC[NH2+]CC3)cc(-c3cccnc3)n2)cc1 ZINC000073684333 523221365 /nfs/dbraw/zinc/22/13/65/523221365.db2.gz HUMURZVQJKUWBI-UHFFFAOYSA-N 1 0 375.476 3.626 10 0 GHAERO CSc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3C[N@H+](C3CCOCC3)C2)cc1 ZINC000004237320 560197734 /nfs/dbraw/zinc/19/77/34/560197734.db2.gz NLOJVURPBHZBSN-FUHWJXTLSA-N 1 0 396.556 3.835 10 0 biogenic GHAERO CCCOc1c(Br)cc(C[NH2+][C@H](CC)CO)cc1Br ZINC000020926754 570285013 /nfs/dbraw/zinc/28/50/13/570285013.db2.gz SRFAWOPYELKCBA-LLVKDONJSA-N 1 0 395.135 3.861 10 0 GHAERO CC(C)(C)[N@@H+]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3)[C@@H]2C1 ZINC000020467923 570489828 /nfs/dbraw/zinc/48/98/28/570489828.db2.gz PSXXQYLLIFTFCZ-RTBURBONSA-N 1 0 391.906 3.864 10 0 GHAERO O=C(c1noc2c1CCCC2)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000014974208 570867818 /nfs/dbraw/zinc/86/78/18/570867818.db2.gz OOWDXCUJDBVZRH-HSZRJFAPSA-N 1 0 397.494 3.821 10 0 GHAERO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000157138326 834768528 /nfs/dbraw/zinc/76/85/28/834768528.db2.gz RUUUMEPUWODMOD-UHFFFAOYSA-N 1 0 397.523 3.810 10 0 GHAERO Cc1ccc(N2CCC(NC(=O)c3sccc3Br)CC2)nc1 ZINC000157823457 835111946 /nfs/dbraw/zinc/11/19/46/835111946.db2.gz ALDKTNQGOFDRDQ-UHFFFAOYSA-N 1 0 380.311 3.613 10 0 GHAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CCc1nnc(-c2cc3ccccc3o2)o1 ZINC000329651163 835529502 /nfs/dbraw/zinc/52/95/02/835529502.db2.gz KTNWRPIAIZFZMY-DOTOQJQBSA-N 1 0 394.475 3.501 10 0 GHAERO CCc1cc(N2CCC([NH2+][C@H](C)c3cnn(Cc4ccccc4)c3)CC2)ncn1 ZINC000159093434 835725710 /nfs/dbraw/zinc/72/57/10/835725710.db2.gz UABHJPIJPNNHAD-GOSISDBHSA-N 1 0 390.535 3.603 10 0 GHAERO C[C@H]1C[NH+](CCC2CCN(C(=O)c3cc(O)c4ccccc4c3)CC2)C[C@H](C)O1 ZINC000329931390 836106102 /nfs/dbraw/zinc/10/61/02/836106102.db2.gz BEIHJBUNVNIORT-ROUUACIJSA-N 1 0 396.531 3.897 10 0 GHAERO O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000174899826 839631223 /nfs/dbraw/zinc/63/12/23/839631223.db2.gz DKBDTIMADUQQMU-UHFFFAOYSA-N 1 0 387.915 3.677 10 0 GHAERO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@@H+]2Cc2nc3c4ccccc4oc3c(=O)[nH]2)C1 ZINC000328756499 840404716 /nfs/dbraw/zinc/40/47/16/840404716.db2.gz UGDLVQMTQNLMFW-DZUCGIPZSA-N 1 0 381.476 3.843 10 0 GHAERO O=C(CN1CCC[C@H]2C(=O)NC[C@H]21)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000328809751 842047565 /nfs/dbraw/zinc/04/75/65/842047565.db2.gz MMJHAHFOISBGNP-WOJBJXKFSA-N 1 0 387.499 3.538 10 0 GHAERO Cc1cc(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)ccc1Br ZINC000329615606 861779103 /nfs/dbraw/zinc/77/91/03/861779103.db2.gz SFSBPHCLJJLGMY-WMLDXEAASA-N 1 0 378.270 3.733 10 0 GHAERO Cc1c(=O)c2cccc(C(=O)NC3C[C@H]4CC[C@@H](C3)[NH2+]4)c2oc1-c1ccccc1 ZINC000237755128 848607486 /nfs/dbraw/zinc/60/74/86/848607486.db2.gz HKMVRJAKSRSFPW-JWTNVVGKSA-N 1 0 388.467 3.781 10 0 GHAERO O[C@H](CO[C@@H]1CCCc2ccccc21)C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000329812105 862338816 /nfs/dbraw/zinc/33/88/16/862338816.db2.gz NAMUPCBCKWLZBB-HCSYDALLSA-N 1 0 387.564 3.847 10 0 GHAERO CC(C)(Sc1ccc(Br)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000129160369 855139812 /nfs/dbraw/zinc/13/98/12/855139812.db2.gz ZJXFLNDRRREEFU-PBWFPOADSA-N 1 0 383.355 3.719 10 0 GHAERO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@@H]2CCSc3cc(C)c(C)cc32)CC(=O)N1C ZINC000330196015 862652545 /nfs/dbraw/zinc/65/25/45/862652545.db2.gz POGUOBIKXPFOHR-JBYIUTFZSA-N 1 0 398.576 3.752 10 0 GHAERO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)c1 ZINC000185425766 856342774 /nfs/dbraw/zinc/34/27/74/856342774.db2.gz BBMXYHRVSDUBQL-HNNXBMFYSA-N 1 0 379.932 3.929 10 0 GHAERO COc1cc(NC(=O)CC[N@H+](C)Cc2ccc(Cl)cc2)cc(OC)c1OC ZINC000102396366 860253550 /nfs/dbraw/zinc/25/35/50/860253550.db2.gz RAVSJHGHBNJIGD-UHFFFAOYSA-N 1 0 392.883 3.826 10 0 GHAERO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]3c3cnn(C)c3)cc2)C1 ZINC000171461027 860425749 /nfs/dbraw/zinc/42/57/49/860425749.db2.gz YXVIVCFUFFUPGN-PGRDOPGGSA-N 1 0 395.551 3.699 10 0 GHAERO Cn1cc([C@H]2CCCN2C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cn1 ZINC000171468147 860425852 /nfs/dbraw/zinc/42/58/52/860425852.db2.gz ZXVASKJCIMWWIF-JOCHJYFZSA-N 1 0 395.551 3.843 10 0 GHAERO O=C(CC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2)N1CCc2sccc2C1 ZINC000102929300 860903824 /nfs/dbraw/zinc/90/38/24/860903824.db2.gz BYWQEHSUCZYVEZ-QGZVFWFLSA-N 1 0 384.501 3.589 10 0 GHAERO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2)c1ccccc1 ZINC000102958194 860920188 /nfs/dbraw/zinc/92/01/88/860920188.db2.gz QNWAXTNMVUACML-RBUKOAKNSA-N 1 0 381.476 3.565 10 0 GHAERO Cn1nccc1[C@H]1[C@H]([NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CCC(=O)N1C1CC1 ZINC000329063199 860986890 /nfs/dbraw/zinc/98/68/90/860986890.db2.gz ZTRVAGCGHVSLFT-ILEGPTGMSA-N 1 0 392.547 3.715 10 0 GHAERO CCO[C@@H]1C[C@H](N(C)Cc2nc3sc(C)c(C)c3c(=O)[nH]2)C12CCCC2 ZINC000089912674 881606628 /nfs/dbraw/zinc/60/66/28/881606628.db2.gz UBNRQSGVLVQCRS-LSDHHAIUSA-N 1 0 375.538 3.771 10 0 GHAERO C[NH+](C)[C@H](CNC(=O)N[C@H](c1ccccc1)c1ccncc1)c1ccc(F)cc1 ZINC000103308839 863951801 /nfs/dbraw/zinc/95/18/01/863951801.db2.gz YIWJNLOCKXAAIR-FGZHOGPDSA-N 1 0 392.478 3.912 10 0 GHAERO COc1ccccc1CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1Br ZINC000104709518 864553111 /nfs/dbraw/zinc/55/31/11/864553111.db2.gz PXCGXHAZZZJABU-CQSZACIVSA-N 1 0 391.309 3.959 10 0 GHAERO C[C@@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1cccc(-n2ccnc2)c1 ZINC000173456954 865652579 /nfs/dbraw/zinc/65/25/79/865652579.db2.gz MUMSSQOAFSDJLX-GOSISDBHSA-N 1 0 381.524 3.593 10 0 GHAERO CSc1ccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000172179788 882175865 /nfs/dbraw/zinc/17/58/65/882175865.db2.gz GISIRZCLUHCKSM-JXFKEZNVSA-N 1 0 384.549 3.513 10 0 GHAERO Cc1c2cc(F)ccc2sc1C(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000173282080 882346274 /nfs/dbraw/zinc/34/62/74/882346274.db2.gz XNALWWJNRRWRIO-QGZVFWFLSA-N 1 0 389.540 3.591 10 0 GHAERO COc1cc(CN2CC[C@H]([NH+]3CCCC3)C2)ccc1OCc1c(C)noc1C ZINC000092757388 882427722 /nfs/dbraw/zinc/42/77/22/882427722.db2.gz PSSZEFNECULFOB-IBGZPJMESA-N 1 0 385.508 3.549 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3ccccc3OC(C)(C)C)CC2)CCO1 ZINC000115777375 873162009 /nfs/dbraw/zinc/16/20/09/873162009.db2.gz SMZHTSVSADTJDL-MRXNPFEDSA-N 1 0 375.513 3.581 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Cc1ccccc1C(F)(F)F ZINC000116248327 873367814 /nfs/dbraw/zinc/36/78/14/873367814.db2.gz WCZVMRNPWOOUDB-KXBFYZLASA-N 1 0 391.437 3.670 10 0 GHAERO Cc1ccc(N2CCC([NH2+][C@@H](C)c3ncc(Br)s3)CC2)nc1 ZINC000179233560 882982839 /nfs/dbraw/zinc/98/28/39/882982839.db2.gz BTZXLLRIZILCLI-LBPRGKRZSA-N 1 0 381.343 3.929 10 0 GHAERO Cc1c2ccccc2oc1[C@@H](C)NC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000180415957 883056433 /nfs/dbraw/zinc/05/64/33/883056433.db2.gz OWKLXYDRMLCHHO-RTBURBONSA-N 1 0 398.551 3.614 10 0 GHAERO COc1ccc(/C(C)=C/C(=O)N(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000186589475 883666735 /nfs/dbraw/zinc/66/67/35/883666735.db2.gz YQHAGLQVMMJEEE-XXJLXKPQSA-N 1 0 379.504 3.664 10 0 GHAERO COc1cc(C)c(NC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1F ZINC000186831894 883709433 /nfs/dbraw/zinc/70/94/33/883709433.db2.gz LZSCWOPXSTWBDY-YJBOKZPZSA-N 1 0 386.471 3.570 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(C)CC1(c2ccccc2)CC1 ZINC000188802850 883879690 /nfs/dbraw/zinc/87/96/90/883879690.db2.gz GKCHMXHNKMVLJG-KNQAVFIVSA-N 1 0 392.547 3.665 10 0 GHAERO COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000191751688 884209229 /nfs/dbraw/zinc/20/92/29/884209229.db2.gz OFJAWAHNPGWJCP-HNNXBMFYSA-N 1 0 395.931 3.846 10 0 GHAERO COCc1ccc(NC(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000192516659 884277214 /nfs/dbraw/zinc/27/72/14/884277214.db2.gz QAXIAHGIDXJUFW-HDICACEKSA-N 1 0 389.540 3.576 10 0 GHAERO CCCN(CCc1ccccn1)C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000105222220 884692588 /nfs/dbraw/zinc/69/25/88/884692588.db2.gz MNODFURVCDOGIC-HXUWFJFHSA-N 1 0 384.524 3.784 10 0 GHAERO CCC(CC)(CNC(=O)N1CCC(n2cncn2)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000113626595 886298233 /nfs/dbraw/zinc/29/82/33/886298233.db2.gz YDWKMVUVCYUTLZ-SFHVURJKSA-N 1 0 398.555 3.534 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1sccc1Br ZINC000116249757 886357970 /nfs/dbraw/zinc/35/79/70/886357970.db2.gz MWZMOEJIWVBRNF-DOMZBBRYSA-N 1 0 394.338 3.546 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCSc1ccccc1F ZINC000116250062 886358412 /nfs/dbraw/zinc/35/84/12/886358412.db2.gz FALJGLSQCKJSQE-LPHOPBHVSA-N 1 0 387.524 3.730 10 0 GHAERO COc1ccc(CN2CCC([NH+]3CCCC3)CC2)cc1OCc1cccnc1 ZINC000127754248 887096444 /nfs/dbraw/zinc/09/64/44/887096444.db2.gz XLZSFBBVMYPBRH-UHFFFAOYSA-N 1 0 381.520 3.729 10 0 GHAERO O=C(Cc1nc(C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)cs1)Nc1ccccc1 ZINC000128294398 887166580 /nfs/dbraw/zinc/16/65/80/887166580.db2.gz VJZMXHBFXXBINF-OALUTQOASA-N 1 0 395.532 3.794 10 0 GHAERO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(Cl)cc1F ZINC000130830337 887478075 /nfs/dbraw/zinc/47/80/75/887478075.db2.gz BINQEWFKDIPYDY-IFXJQAMLSA-N 1 0 375.875 3.823 10 0 GHAERO C[NH+](C)CCOc1ccc(CNC(=O)N(Cc2ccco2)C2CCCC2)cc1 ZINC000105113729 887654218 /nfs/dbraw/zinc/65/42/18/887654218.db2.gz BTCSUZNXIYDNFT-UHFFFAOYSA-N 1 0 385.508 3.874 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc(-c2ncco2)cc1 ZINC000132747932 887694535 /nfs/dbraw/zinc/69/45/35/887694535.db2.gz DBLJHOARZYDERN-JXFKEZNVSA-N 1 0 391.475 3.769 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C1(Cc2ccccc2)CCC1 ZINC000134363991 887864181 /nfs/dbraw/zinc/86/41/81/887864181.db2.gz SSWLNQVVEKDDRC-KNQAVFIVSA-N 1 0 377.532 3.821 10 0 GHAERO COc1ccccc1-c1nc(C2CC[NH+](Cc3ccc(O)c(OC)c3)CC2)no1 ZINC000195002672 888636142 /nfs/dbraw/zinc/63/61/42/888636142.db2.gz LWXPVEYSFCYPCT-UHFFFAOYSA-N 1 0 395.459 3.839 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N1CCCC[C@@H]1c1cccn1C ZINC000245426921 888748774 /nfs/dbraw/zinc/74/87/74/888748774.db2.gz GRZQOHRVFXAFOC-SYYKKAFVSA-N 1 0 395.551 3.567 10 0 GHAERO CN(Cc1nc(C(F)(F)F)cs1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000245665379 889188573 /nfs/dbraw/zinc/18/85/73/889188573.db2.gz QXDGHUKKUCDJDF-XJKSGUPXSA-N 1 0 398.454 3.749 10 0 GHAERO Cc1nnc([C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccccc2)[nH]1 ZINC000245718969 889480446 /nfs/dbraw/zinc/48/04/46/889480446.db2.gz OMBWUZNCMBXFOJ-BXXSPATCSA-N 1 0 387.531 3.988 10 0 GHAERO COC[C@@H]1CCCN(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000245745355 889611216 /nfs/dbraw/zinc/61/12/16/889611216.db2.gz WOJZNWGOMNVZTC-OGWOLHLISA-N 1 0 397.922 3.540 10 0 GHAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)C1 ZINC000246008277 890171918 /nfs/dbraw/zinc/17/19/18/890171918.db2.gz SPVHCIMZBKKXJK-PXNSSMCTSA-N 1 0 398.482 3.639 10 0 GHAERO COc1ccc(/C(C)=C/C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000246425703 891234510 /nfs/dbraw/zinc/23/45/10/891234510.db2.gz ISTRDJSTSIEKSK-SWYPDFTJSA-N 1 0 379.504 3.520 10 0 GHAERO C[N@@H+]1CC[C@H](CNC(=O)C[C@H](O)c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246428301 891236399 /nfs/dbraw/zinc/23/63/99/891236399.db2.gz NRGKPKWEHGCFAR-LKUPVBHCSA-N 1 0 390.886 3.712 10 0 GHAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)C34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)C2)CC1 ZINC000246631782 891294818 /nfs/dbraw/zinc/29/48/18/891294818.db2.gz AZIBYUBNNJQOOY-RHVFTSMTSA-N 1 0 387.612 3.612 10 0 GHAERO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000246976795 891326813 /nfs/dbraw/zinc/32/68/13/891326813.db2.gz GZVDVWVWGKAETK-HZPDHXFCSA-N 1 0 398.469 3.596 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)CSc1ccc(Cl)cc1 ZINC000247051814 891338121 /nfs/dbraw/zinc/33/81/21/891338121.db2.gz AZQUJJGWXIDOFI-DNVCBOLYSA-N 1 0 389.952 3.854 10 0 GHAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247138622 891348443 /nfs/dbraw/zinc/34/84/43/891348443.db2.gz VZANZUNMGBTIIA-OXQOHEQNSA-N 1 0 376.504 3.820 10 0 GHAERO Cc1cccc(OCCCC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247329856 891368534 /nfs/dbraw/zinc/36/85/34/891368534.db2.gz YBXZGXJAVXHZIC-KNQAVFIVSA-N 1 0 381.520 3.576 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCc1ccc(Cl)s1 ZINC000247568914 891387618 /nfs/dbraw/zinc/38/76/18/891387618.db2.gz WGRJENIQLPGAOO-XJKSGUPXSA-N 1 0 378.929 3.506 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@H]3C[C@@H]3c3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC000247744706 891394155 /nfs/dbraw/zinc/39/41/55/891394155.db2.gz XTOXEYJVCOESLI-ZMYBRWDISA-N 1 0 396.453 3.521 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@H]3C[C@H]3c3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC000247744698 891394209 /nfs/dbraw/zinc/39/42/09/891394209.db2.gz XTOXEYJVCOESLI-CCKFTAQKSA-N 1 0 396.453 3.521 10 0 GHAERO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cc(F)c(N4CCCC4)c(F)c3)CC[C@H]21 ZINC000247970619 891404295 /nfs/dbraw/zinc/40/42/95/891404295.db2.gz HHMWLQOKDDSGDK-KBXCAEBGSA-N 1 0 378.467 3.513 10 0 GHAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000247982619 891405563 /nfs/dbraw/zinc/40/55/63/891405563.db2.gz NCKZOJPLRYUOAU-SFYKDHMMSA-N 1 0 375.520 3.829 10 0 GHAERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccccc3NC(=O)c3cccs3)CC[C@H]21 ZINC000248129113 891411146 /nfs/dbraw/zinc/41/11/46/891411146.db2.gz OGJRRGQYKIANJW-MAUKXSAKSA-N 1 0 383.517 3.557 10 0 GHAERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(-c4cccnc4)nc4ccccc43)CC[C@H]21 ZINC000248183648 891416102 /nfs/dbraw/zinc/41/61/02/891416102.db2.gz WWOOCNCPULBJNS-FDDCHVKYSA-N 1 0 386.499 3.853 10 0 GHAERO COc1ccc([C@@H]2CCCN2C(=O)CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000248570971 891430310 /nfs/dbraw/zinc/43/03/10/891430310.db2.gz MABXSHSXSJMSRK-XQFWAAQXSA-N 1 0 399.579 3.601 10 0 GHAERO CN1CC[C@@H](CNC(=O)c2c[nH]nc2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248633494 891448529 /nfs/dbraw/zinc/44/85/29/891448529.db2.gz JDGNZBSOQXBVRE-SCLBCKFNSA-N 1 0 376.863 3.502 10 0 GHAERO Cc1c(-c2cc(CN(C)[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)on2)cnn1C ZINC000248633135 891448617 /nfs/dbraw/zinc/44/86/17/891448617.db2.gz SZDPVOXNMHNSEK-PXNSSMCTSA-N 1 0 393.535 3.868 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)c2ccc(F)cc2C1 ZINC000248775779 891468363 /nfs/dbraw/zinc/46/83/63/891468363.db2.gz ZASKTMWAADCBAC-GAZXMLTASA-N 1 0 395.522 3.729 10 0 GHAERO Cc1cc(Br)ccc1NC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333224111 900048192 /nfs/dbraw/zinc/04/81/92/900048192.db2.gz XCQWOOYZEUGQAM-NVXWUHKLSA-N 1 0 396.329 3.508 10 0 GHAERO Cc1cc(Br)ccc1NC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333224115 900048403 /nfs/dbraw/zinc/04/84/03/900048403.db2.gz XCQWOOYZEUGQAM-WBVHZDCISA-N 1 0 396.329 3.508 10 0 GHAERO C[C@H]1CCC[C@H](C)C1[NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1cnn(-c2ccc(F)cc2)c1 ZINC000333395304 902060423 /nfs/dbraw/zinc/06/04/23/902060423.db2.gz ASPAXQMBWCDPEY-CFLDLGCGSA-N 1 0 398.526 3.945 10 0 GHAERO Cn1cc(-c2cc(C[N@@H+]3CCC[C@H](c4nc(-c5ccccc5)c[nH]4)C3)on2)cn1 ZINC000185034025 1014574930 /nfs/dbraw/zinc/57/49/30/1014574930.db2.gz HUKGXLAUHPMDRA-KRWDZBQOSA-N 1 0 388.475 3.845 10 0 GHAERO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)c1n[nH]c2ccccc21 ZINC000011936129 204364735 /nfs/dbraw/zinc/36/47/35/204364735.db2.gz VMQYHPQMLPEJTA-UHFFFAOYSA-N 1 0 394.494 3.729 10 0 GHAERO COc1cc2nc(N(C)C)c(C[NH2+]CC3CCCCC3)cc2c(OC)c1OC ZINC000012034744 204368481 /nfs/dbraw/zinc/36/84/81/204368481.db2.gz WARHMXULYDXKPP-UHFFFAOYSA-N 1 0 387.524 3.997 10 0 GHAERO O=c1cc(-c2ccncc2)nc(-c2cccc(C[NH+]3CCC(F)(F)CC3)c2)[nH]1 ZINC000048261846 205116656 /nfs/dbraw/zinc/11/66/56/205116656.db2.gz XVQNDIWFPPGYGB-UHFFFAOYSA-N 1 0 382.414 3.730 10 0 GHAERO FC(F)(F)c1ccc(-c2nc(-c3cccnc3)cc(N3CC[NH2+]CC3)n2)cc1 ZINC000073662830 527681649 /nfs/dbraw/zinc/68/16/49/527681649.db2.gz WFMKFQHGCFPLDV-UHFFFAOYSA-N 1 0 385.393 3.634 10 0 GHAERO C[C@H]([NH2+]CC[C@@H](CO)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000725266916 570325083 /nfs/dbraw/zinc/32/50/83/570325083.db2.gz MKQCSPQRHVFWEW-PXNSSMCTSA-N 1 0 376.541 3.983 10 0 GHAERO COc1cccc(C[NH2+]CCCN2CCCC2=O)c1OCc1ccccc1F ZINC000013727512 570782289 /nfs/dbraw/zinc/78/22/89/570782289.db2.gz SVAQGPOQLXAWCK-UHFFFAOYSA-N 1 0 386.467 3.515 10 0 GHAERO Cc1csc(C2CCN(CC(=O)N(C)c3nc4ccccc4s3)CC2)n1 ZINC000156791326 834559028 /nfs/dbraw/zinc/55/90/28/834559028.db2.gz ADMIHZKJQQQREL-UHFFFAOYSA-N 1 0 386.546 3.904 10 0 GHAERO CC(C)c1noc(-c2ccccc2C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000329643209 835512403 /nfs/dbraw/zinc/51/24/03/835512403.db2.gz ICEFQDFNUNEGQK-KRWDZBQOSA-N 1 0 382.508 3.808 10 0 GHAERO Cc1noc2nc(-c3ccccc3)cc(C(=O)N3C[C@H]4CCCC[N@H+]4C[C@@H]3C)c12 ZINC000329642874 835519500 /nfs/dbraw/zinc/51/95/00/835519500.db2.gz IQVKFIURNRVXBE-MAUKXSAKSA-N 1 0 390.487 3.897 10 0 GHAERO Cc1onc(-c2ccccc2)c1-c1nnc(CN2C[C@H]3CCCC[N@H+]3C[C@@H]2C)o1 ZINC000329682872 835673574 /nfs/dbraw/zinc/67/35/74/835673574.db2.gz YVAUPUCGACVRRC-MAUKXSAKSA-N 1 0 393.491 3.759 10 0 GHAERO Cc1ccc(NC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1Br ZINC000333164400 844100948 /nfs/dbraw/zinc/10/09/48/844100948.db2.gz OOAXZMBNLOYJQG-IAGOWNOFSA-N 1 0 396.329 3.508 10 0 GHAERO OCCn1nccc1C1CC[NH+](Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000179982312 838484747 /nfs/dbraw/zinc/48/47/47/838484747.db2.gz FEWXHYGQLIZYSY-UHFFFAOYSA-N 1 0 388.943 3.509 10 0 GHAERO CC1(C)CC(NC(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)CC(C)(C)[NH2+]1 ZINC000091598847 841303049 /nfs/dbraw/zinc/30/30/49/841303049.db2.gz OTWPFNQKPUXDJH-IRXDYDNUSA-N 1 0 379.932 3.778 10 0 GHAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1nnc(-c3ccccc3Br)o1)CC2 ZINC000128487082 842724069 /nfs/dbraw/zinc/72/40/69/842724069.db2.gz JRTMVFHEIYXVPR-ACJLOTCBSA-N 1 0 392.297 3.626 10 0 GHAERO Cc1cccnc1/C=C\C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000588455714 843357109 /nfs/dbraw/zinc/35/71/09/843357109.db2.gz FVCGSPBPHOYNGC-BMYSDILASA-N 1 0 375.516 3.916 10 0 GHAERO Cc1ccc(Br)c(-c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)c1 ZINC000329683629 862052885 /nfs/dbraw/zinc/05/28/85/862052885.db2.gz TVVWHDLCTQEGAI-RHSMWYFYSA-N 1 0 378.270 3.733 10 0 GHAERO O=C(NCCCC[NH+]1CCCC1)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000156185974 849793910 /nfs/dbraw/zinc/79/39/10/849793910.db2.gz NJQDWMWTKIRNPU-HXUWFJFHSA-N 1 0 386.927 4.000 10 0 GHAERO O[C@H](CO[C@@H]1CCCc2ccccc21)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000329812111 862339194 /nfs/dbraw/zinc/33/91/94/862339194.db2.gz NAMUPCBCKWLZBB-ISBMVONUSA-N 1 0 387.564 3.847 10 0 GHAERO CCCc1cc(NC2CCN(C(=O)c3cnccn3)CC2)c2ccccc2[nH+]1 ZINC000125311329 854702484 /nfs/dbraw/zinc/70/24/84/854702484.db2.gz KFZDSVGSPOYNSC-UHFFFAOYSA-N 1 0 375.476 3.694 10 0 GHAERO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c12 ZINC000195333168 856355234 /nfs/dbraw/zinc/35/52/34/856355234.db2.gz YIYIVPLKUPINQD-MRXNPFEDSA-N 1 0 383.540 3.538 10 0 GHAERO CN(C[C@H]1CCCO1)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000102902688 860620201 /nfs/dbraw/zinc/62/02/01/860620201.db2.gz OZPKUJSAEWMOKS-OAQYLSRUSA-N 1 0 381.520 3.736 10 0 GHAERO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)c1 ZINC000102959653 860919887 /nfs/dbraw/zinc/91/98/87/860919887.db2.gz ZJPUQHAIQNKVFJ-FQEVSTJZSA-N 1 0 395.503 3.914 10 0 GHAERO CN(CCc1ccc(F)cc1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000103184541 863904355 /nfs/dbraw/zinc/90/43/55/863904355.db2.gz DDYCTWRABGXGFH-OAQYLSRUSA-N 1 0 383.511 3.574 10 0 GHAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000103309150 863951746 /nfs/dbraw/zinc/95/17/46/863951746.db2.gz SUMBCCNTFKXBKE-PKTZIBPZSA-N 1 0 388.515 3.643 10 0 GHAERO COc1ccccc1CC[N@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000104710888 864587068 /nfs/dbraw/zinc/58/70/68/864587068.db2.gz FKBGIVPMCCMPQI-AWEZNQCLSA-N 1 0 376.884 3.859 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc(OC(F)F)cc1 ZINC000172142986 882171309 /nfs/dbraw/zinc/17/13/09/882171309.db2.gz DILDQKHNKIRFEQ-KDOFPFPSSA-N 1 0 390.434 3.715 10 0 GHAERO COc1c(C)ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1C ZINC000172147281 882173151 /nfs/dbraw/zinc/17/31/51/882173151.db2.gz MOIRVVBBPQNDAO-QFBILLFUSA-N 1 0 382.508 3.739 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3ccnc(Oc4ccccc4)c3)CC2)CCO1 ZINC000173255899 882344496 /nfs/dbraw/zinc/34/44/96/882344496.db2.gz HSBNDLIHAMPXPL-QGZVFWFLSA-N 1 0 396.491 3.591 10 0 GHAERO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000174551762 882480897 /nfs/dbraw/zinc/48/08/97/882480897.db2.gz SXTQTAHAZWXEFP-AWEZNQCLSA-N 1 0 376.888 3.759 10 0 GHAERO COc1cc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)ccc1OCc1c(C)noc1C ZINC000093507445 882555064 /nfs/dbraw/zinc/55/50/64/882555064.db2.gz FQVQLQXDAAFGAW-UYAOXDASSA-N 1 0 386.492 3.880 10 0 GHAERO COc1ccccc1CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000104709348 874662412 /nfs/dbraw/zinc/66/24/12/874662412.db2.gz ZYWOJUZCERMDGC-SFHVURJKSA-N 1 0 381.520 3.797 10 0 GHAERO CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000179917175 883039386 /nfs/dbraw/zinc/03/93/86/883039386.db2.gz MKFIZNWUJQIBDH-JOCHJYFZSA-N 1 0 395.547 3.589 10 0 GHAERO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000180863777 883104914 /nfs/dbraw/zinc/10/49/14/883104914.db2.gz QHEWGASSQVFRHI-UZLBHIALSA-N 1 0 398.503 3.727 10 0 GHAERO CC(C)(C)c1cc(NC(=O)N2CCC([NH+]3CCCC3)CC2)n(-c2ccccn2)n1 ZINC000184418748 883334152 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GHAERO Cc1cc(CSc2ccccc2C(=O)NCc2ccc3c(c2)C[NH2+]C3)on1 ZINC000188762943 883880255 /nfs/dbraw/zinc/88/02/55/883880255.db2.gz DSMOIVASLXEJMG-UHFFFAOYSA-N 1 0 379.485 3.809 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc4ccccc4c3)CC2)CCO1 ZINC000108820891 886088642 /nfs/dbraw/zinc/08/86/42/886088642.db2.gz LTZVOGCGFSLORE-NLSFWIRASA-N 1 0 378.516 3.655 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(C)Cc1cccc(Cl)c1 ZINC000116568429 886365027 /nfs/dbraw/zinc/36/50/27/886365027.db2.gz DUQOHMHMQFINIS-UZLBHIALSA-N 1 0 386.927 3.787 10 0 GHAERO COc1ccc([C@H](C)N(C)C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000116569239 886368252 /nfs/dbraw/zinc/36/82/52/886368252.db2.gz WKSBKFIEZLLGSG-SPEDKVCISA-N 1 0 396.535 3.703 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)CC2)CCO1 ZINC000124380738 886738636 /nfs/dbraw/zinc/73/86/36/886738636.db2.gz RJQVJSYFHZODSV-KRWDZBQOSA-N 1 0 391.515 3.975 10 0 GHAERO C[C@H](Oc1cccc(C=O)c1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000131628081 887562649 /nfs/dbraw/zinc/56/26/49/887562649.db2.gz CELSFVFZLYZQBJ-KNBMTAEXSA-N 1 0 386.517 3.527 10 0 GHAERO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1csc(-c2ccsc2)n1 ZINC000132076702 887606886 /nfs/dbraw/zinc/60/68/86/887606886.db2.gz XYVBPJINWAXZOB-UHFFFAOYSA-N 1 0 384.530 3.661 10 0 GHAERO Cc1cccc2[nH]cc(CC[NH2+][C@@H](C(N)=O)c3ccc(Br)cc3)c21 ZINC000105402521 888480195 /nfs/dbraw/zinc/48/01/95/888480195.db2.gz HZDGQNYARHHHKR-GOSISDBHSA-N 1 0 386.293 3.598 10 0 GHAERO O=C(C1CC[NH+](C2CC2)CC1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000194606778 888598631 /nfs/dbraw/zinc/59/86/31/888598631.db2.gz WILWRVJAFPOKBN-LJQANCHMSA-N 1 0 378.520 3.657 10 0 GHAERO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CCC[C@H](c2nccs2)C1 ZINC000195342572 888681434 /nfs/dbraw/zinc/68/14/34/888681434.db2.gz ZZMAKYKYYNJZJG-SJORKVTESA-N 1 0 384.549 3.950 10 0 GHAERO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC[C@H](c2nccs2)C1 ZINC000195342763 888681778 /nfs/dbraw/zinc/68/17/78/888681778.db2.gz BWRTUHYZOKYMOV-WBVHZDCISA-N 1 0 382.533 3.551 10 0 GHAERO CSc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](c3nncn3C(C)C)C2)cc1 ZINC000245438693 888751983 /nfs/dbraw/zinc/75/19/83/888751983.db2.gz SHNXMXXQEHCRBQ-HZPDHXFCSA-N 1 0 387.553 3.788 10 0 GHAERO C[N@@H+]1CC[C@H](NC(=O)N[C@@H](c2nccs2)c2ccccc2)[C@H]1c1ccccc1 ZINC000245699474 889275229 /nfs/dbraw/zinc/27/52/29/889275229.db2.gz YVIRPRLCNBXRAB-XUVXKRRUSA-N 1 0 392.528 3.977 10 0 GHAERO CN(C[C@@H]1CCCOC1)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245715446 889414820 /nfs/dbraw/zinc/41/48/20/889414820.db2.gz PZESRGHRKJSBEY-URLQWDBASA-N 1 0 397.922 3.540 10 0 GHAERO CCOCCCCNC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245716756 889420867 /nfs/dbraw/zinc/42/08/67/889420867.db2.gz QLNMTVCCBDXIFX-QAPCUYQASA-N 1 0 385.911 3.588 10 0 GHAERO COC[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000245745341 889611481 /nfs/dbraw/zinc/61/14/81/889611481.db2.gz WOJZNWGOMNVZTC-ALKREAHSSA-N 1 0 397.922 3.540 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1csc([C@H]2CCCO2)n1 ZINC000245940089 890083955 /nfs/dbraw/zinc/08/39/55/890083955.db2.gz SRKYTODXJHRJNK-VQIMIIECSA-N 1 0 385.533 3.731 10 0 GHAERO CC(C)[N@H+](C)Cc1cccc(CNC(=O)C[C@H]2Sc3ccccc3NC2=O)c1 ZINC000068271093 891173384 /nfs/dbraw/zinc/17/33/84/891173384.db2.gz DOMZJTCUEOMQID-HXUWFJFHSA-N 1 0 397.544 3.646 10 0 GHAERO Cc1noc(-c2ccccc2C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000246419255 891230750 /nfs/dbraw/zinc/23/07/50/891230750.db2.gz BSPQDTSXQUMLAI-LPHOPBHVSA-N 1 0 390.487 3.828 10 0 GHAERO C[C@H](CCc1ccccc1F)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000246739860 891302824 /nfs/dbraw/zinc/30/28/24/891302824.db2.gz GBTFMONBFSYKTC-FGSXEWAUSA-N 1 0 383.511 3.816 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc(F)c(F)c1F ZINC000246844884 891315800 /nfs/dbraw/zinc/31/58/00/891315800.db2.gz DEVNBYFIBNQMOC-IUODEOHRSA-N 1 0 378.398 3.531 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCC(C)(C)c1cccs1 ZINC000247032734 891335252 /nfs/dbraw/zinc/33/52/52/891335252.db2.gz NOYMMNNMNVGVON-SJLPKXTDSA-N 1 0 386.565 3.631 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1csc(-c2ccsc2)n1 ZINC000247066500 891342358 /nfs/dbraw/zinc/34/23/58/891342358.db2.gz BWAVIOXDKVISQF-WMLDXEAASA-N 1 0 398.557 3.907 10 0 GHAERO C[C@H]1CN(c2ccc(C[NH2+][C@H]3CC4(CCC4)Oc4ccccc43)cn2)CCO1 ZINC000247164442 891350441 /nfs/dbraw/zinc/35/04/41/891350441.db2.gz UJQNRYTXBFOVEN-PXNSSMCTSA-N 1 0 379.504 3.843 10 0 GHAERO C[C@H](O)c1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000247325951 891367100 /nfs/dbraw/zinc/36/71/00/891367100.db2.gz IQZSJAHUTLTWHD-MSYCTHLASA-N 1 0 395.547 3.934 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1cccc2cccnc21 ZINC000247562409 891386171 /nfs/dbraw/zinc/38/61/71/891386171.db2.gz UZNXAGQOWPKKQM-QFBILLFUSA-N 1 0 375.476 3.662 10 0 GHAERO C[N@@H+]1CC[C@H](NC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)[C@@H]1c1ccccc1 ZINC000247924202 891400436 /nfs/dbraw/zinc/40/04/36/891400436.db2.gz CHZOBXKHLVUVML-SFTDATJTSA-N 1 0 393.531 3.524 10 0 GHAERO COc1cccc(-c2nc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cs2)c1OC ZINC000247954194 891401541 /nfs/dbraw/zinc/40/15/41/891401541.db2.gz FIYPSKGBMUMWQG-CRAIPNDOSA-N 1 0 387.549 3.743 10 0 GHAERO C[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)cnc2Cl)[C@H]1c1ccccc1 ZINC000248033186 891405777 /nfs/dbraw/zinc/40/57/77/891405777.db2.gz KPOZOCKLWMEAKE-HUUCEWRRSA-N 1 0 394.700 3.673 10 0 GHAERO CS(=O)(=O)c1cccc([C@H]([NH2+][C@H]2CCO[C@@H](C3CC3)C2)c2ccccc2)c1 ZINC000248791480 891469778 /nfs/dbraw/zinc/46/97/78/891469778.db2.gz ITWCYKPZENTASJ-KSEOMHKRSA-N 1 0 385.529 3.727 10 0 GHAERO CCCNc1ccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000248835971 891473339 /nfs/dbraw/zinc/47/33/39/891473339.db2.gz DBPPYIYHPJIIET-GCJKJVERSA-N 1 0 395.551 3.613 10 0 GHAERO CCOCCC[N@@H+]1CC[C@@H](NCc2coc(-c3c(F)cccc3F)n2)[C@@H](C)C1 ZINC000249503744 891507612 /nfs/dbraw/zinc/50/76/12/891507612.db2.gz XYUFAHOAAVBGHK-HNAYVOBHSA-N 1 0 393.478 3.846 10 0 GHAERO CCOCCC[N@@H+]1CC[C@H](NCc2coc(-c3c(F)cccc3F)n2)[C@@H](C)C1 ZINC000249503745 891507779 /nfs/dbraw/zinc/50/77/79/891507779.db2.gz XYUFAHOAAVBGHK-KXBFYZLASA-N 1 0 393.478 3.846 10 0 GHAERO C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000333093603 899954200 /nfs/dbraw/zinc/95/42/00/899954200.db2.gz CUBKTFBFLIMRNM-UWJYYQICSA-N 1 0 398.551 3.697 10 0 GHAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccc(Br)s4)nn3)C[C@H]21 ZINC000333128657 899985284 /nfs/dbraw/zinc/98/52/84/899985284.db2.gz AQLSGYNXZVNIAK-IJLUTSLNSA-N 1 0 379.327 3.531 10 0 GHAERO [NH3+][C@H]1CCCO[C@@H]1C1CCN(c2ccnc3cc(Br)ccc32)CC1 ZINC000333693570 902274512 /nfs/dbraw/zinc/27/45/12/902274512.db2.gz PYKJKZGXMFRIJC-QFBILLFUSA-N 1 0 390.325 3.720 10 0 GHAERO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333948328 902447900 /nfs/dbraw/zinc/44/79/00/902447900.db2.gz WFVOCKKOHRWRFD-INIZCTEOSA-N 1 0 384.549 3.965 10 0 GHAERO COc1ccc(OC)c(C(=O)N(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000370175665 923928148 /nfs/dbraw/zinc/92/81/48/923928148.db2.gz UUVQDLXRXKKOOZ-IBGZPJMESA-N 1 0 386.517 3.550 10 0 GHAERO Cc1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)nc(C)n1 ZINC000012297471 204390552 /nfs/dbraw/zinc/39/05/52/204390552.db2.gz ZQEDCIOKYDCMID-HSZRJFAPSA-N 1 0 384.568 3.992 10 0 GHAERO COc1cc(C[NH2+]CCCN2CCCC2=O)ccc1OCc1ccccc1C ZINC000013727796 204508283 /nfs/dbraw/zinc/50/82/83/204508283.db2.gz DSZNGOHGFKVUQA-UHFFFAOYSA-N 1 0 382.504 3.685 10 0 GHAERO c1cc2c(ncnc2N2CCC([C@@H]3CC[N@@H+](CCc4ccccc4)C3)CC2)[nH]1 ZINC000072129506 205306653 /nfs/dbraw/zinc/30/66/53/205306653.db2.gz XOYDXQRSJARYJI-HXUWFJFHSA-N 1 0 375.520 3.739 10 0 GHAERO FC(F)(F)c1ccc(-c2nc(-c3ccncc3)cc(N3CC[NH2+]CC3)n2)cc1 ZINC000073662824 527680881 /nfs/dbraw/zinc/68/08/81/527680881.db2.gz XJWUSGANGPPFJU-UHFFFAOYSA-N 1 0 385.393 3.634 10 0 GHAERO CC(C)(C)[N@@H+]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3)[C@H]2C1 ZINC000020467925 570489738 /nfs/dbraw/zinc/48/97/38/570489738.db2.gz PSXXQYLLIFTFCZ-RBUKOAKNSA-N 1 0 391.906 3.864 10 0 GHAERO Cc1ccccc1C1=NO[C@H](C[N@H+](Cc2ccccc2)C[C@@H](O)COC(C)C)C1 ZINC000169679660 570601224 /nfs/dbraw/zinc/60/12/24/570601224.db2.gz CLSOAVBFWRVZSE-YADHBBJMSA-N 1 0 396.531 3.776 10 0 GHAERO C[N@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)Nc2cnc3c(c2)CCCC3)CC1 ZINC000333072090 570725076 /nfs/dbraw/zinc/72/50/76/570725076.db2.gz VCOYXCRILXVFDY-NRFANRHFSA-N 1 0 393.535 3.874 10 0 GHAERO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCO[C@@H]2c2ccccc2)[C@@H]1c1cccs1 ZINC000176403310 837587882 /nfs/dbraw/zinc/58/78/82/837587882.db2.gz OHPRRGPZLCDTBR-VURPSTOHSA-N 1 0 399.560 3.960 10 0 GHAERO O=C(CCc1nc(-c2cccnc2)no1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000106148938 837688935 /nfs/dbraw/zinc/68/89/35/837688935.db2.gz ZYHOUABNNGLXTJ-UHFFFAOYSA-N 1 0 391.475 3.689 10 0 GHAERO Cc1csc(-c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)c1Br ZINC000329665287 835566397 /nfs/dbraw/zinc/56/63/97/835566397.db2.gz KJAVAYYNADFKEV-BMIGLBTASA-N 1 0 384.299 3.795 10 0 GHAERO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)[C@@H]1c1ccccc1 ZINC000332785341 836616654 /nfs/dbraw/zinc/61/66/54/836616654.db2.gz FGADQIRRQBKLMN-KHYDEXNFSA-N 1 0 385.552 3.547 10 0 GHAERO C[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1cc(Br)ccc1F ZINC000178041014 838260959 /nfs/dbraw/zinc/26/09/59/838260959.db2.gz TXVJHFYODTWZAP-GFCCVEGCSA-N 1 0 379.277 3.698 10 0 GHAERO CC(C)(c1nnc(NC(=O)N2CCC([NH+]3CCCC3)CC2)s1)c1ccccc1 ZINC000106948494 838659638 /nfs/dbraw/zinc/65/96/38/838659638.db2.gz QNCFIPZECVQVBM-UHFFFAOYSA-N 1 0 399.564 3.956 10 0 GHAERO CC(C)CCOc1cccc(NC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000068312522 839203439 /nfs/dbraw/zinc/20/34/39/839203439.db2.gz NLRQXEVMJCIJKT-GOSISDBHSA-N 1 0 389.540 3.829 10 0 GHAERO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000332742337 844528244 /nfs/dbraw/zinc/52/82/44/844528244.db2.gz HZYLDAWLUSAHRS-DPLHUUCSSA-N 1 0 399.579 3.624 10 0 GHAERO C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cccc(F)c1F ZINC000162277554 843220347 /nfs/dbraw/zinc/22/03/47/843220347.db2.gz NQQMJDKDRMABSB-VCBZYWHSSA-N 1 0 388.462 3.631 10 0 GHAERO CCOC(=O)c1nc(-c2ccccc2)oc1CN1CC[C@@H](Oc2cccnc2)C1 ZINC000154678690 849349125 /nfs/dbraw/zinc/34/91/25/849349125.db2.gz BFJZKCOIUJZRSW-GOSISDBHSA-N 1 0 393.443 3.567 10 0 GHAERO CCOc1cc(Br)ccc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000154979664 849413492 /nfs/dbraw/zinc/41/34/92/849413492.db2.gz NGSPVVRZIBYEQM-UHFFFAOYSA-N 1 0 396.329 3.940 10 0 GHAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000155147269 849462724 /nfs/dbraw/zinc/46/27/24/849462724.db2.gz NCKZOJPLRYUOAU-MSYCTHLASA-N 1 0 375.520 3.829 10 0 GHAERO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1N(C)C(=O)C[C@H]1CCCCNC1=O ZINC000329820069 862343367 /nfs/dbraw/zinc/34/33/67/862343367.db2.gz GLBDPJWINNELHK-QWFCFKBJSA-N 1 0 385.552 3.748 10 0 GHAERO Cc1ccc([C@H]2CN(C(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)CCO2)o1 ZINC000165335921 855130715 /nfs/dbraw/zinc/13/07/15/855130715.db2.gz ZBODYKVEOGGIFJ-OAQYLSRUSA-N 1 0 382.504 3.790 10 0 GHAERO Cc1cc([C@H]2CCCN2C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)on1 ZINC000067569877 856556029 /nfs/dbraw/zinc/55/60/29/856556029.db2.gz IFTHPKOTLSMZDZ-VQTJNVASSA-N 1 0 382.508 3.884 10 0 GHAERO Cc1cc2nc(N3CCC[N@@H+]([C@@H](C)CCn4cccn4)CC3)nc(C)c2cc1C ZINC000014956144 860100869 /nfs/dbraw/zinc/10/08/69/860100869.db2.gz MVHGZCBBZWMXRO-IBGZPJMESA-N 1 0 392.551 3.742 10 0 GHAERO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2)c1ccccc1 ZINC000102958184 860919828 /nfs/dbraw/zinc/91/98/28/860919828.db2.gz QNWAXTNMVUACML-MOPGFXCFSA-N 1 0 381.476 3.565 10 0 GHAERO Cc1cc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)nn1-c1ccccc1 ZINC000103093341 863894032 /nfs/dbraw/zinc/89/40/32/863894032.db2.gz OXOTVOMKPDWVSC-FQEVSTJZSA-N 1 0 380.536 3.909 10 0 GHAERO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)NC3CCCCC3)CC2)c1C ZINC000103247078 863923973 /nfs/dbraw/zinc/92/39/73/863923973.db2.gz GACKUKQEFFWFGC-UHFFFAOYSA-N 1 0 388.556 3.646 10 0 GHAERO CC[NH+]1CCN(c2ccccc2NC(=O)N(C)CCc2ccccc2OC)CC1 ZINC000104768966 864628801 /nfs/dbraw/zinc/62/88/01/864628801.db2.gz GZDGBNIFBVXWNV-UHFFFAOYSA-N 1 0 396.535 3.544 10 0 GHAERO COC[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000091413651 882092019 /nfs/dbraw/zinc/09/20/19/882092019.db2.gz GKBMJTAZCDYQDP-NQERJWCQSA-N 1 0 375.463 3.548 10 0 GHAERO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccnc2)c1 ZINC000172768887 882306871 /nfs/dbraw/zinc/30/68/71/882306871.db2.gz WOGIQHYMQBNWQW-NRFANRHFSA-N 1 0 394.519 3.557 10 0 GHAERO Cc1c2cccc(Cl)c2oc1C(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000173284039 882345978 /nfs/dbraw/zinc/34/59/78/882345978.db2.gz WQRWMYQQCBZQQG-MRXNPFEDSA-N 1 0 389.927 3.637 10 0 GHAERO CSc1ccc(NC(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1Cl ZINC000176104704 882666477 /nfs/dbraw/zinc/66/64/77/882666477.db2.gz TVNKAIJQYXDCSO-ZDUSSCGKSA-N 1 0 383.945 3.779 10 0 GHAERO CC[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1)c1cccc(Cl)c1 ZINC000180390759 883053834 /nfs/dbraw/zinc/05/38/34/883053834.db2.gz PVWGAKPVHHXKNB-PMACEKPBSA-N 1 0 392.975 3.603 10 0 GHAERO C[C@@H](NC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1)c1ccc2ccccc2c1 ZINC000180381542 883054235 /nfs/dbraw/zinc/05/42/35/883054235.db2.gz YDDVQQSTGFZGFO-XXBNENTESA-N 1 0 394.563 3.712 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc(F)c(Cl)c1F ZINC000184515529 883350711 /nfs/dbraw/zinc/35/07/11/883350711.db2.gz VXURPDLDKPUBOA-LRDDRELGSA-N 1 0 379.838 3.654 10 0 GHAERO CC(=O)N1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccccc2)c2ccc(F)cc2C1 ZINC000185365111 883442541 /nfs/dbraw/zinc/44/25/41/883442541.db2.gz TYLBZTLCQTZVAO-QVKFZJNVSA-N 1 0 383.467 3.626 10 0 GHAERO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3ccc4c(c3)CN(C)C(=O)N4)C2)CC1 ZINC000186576284 883664459 /nfs/dbraw/zinc/66/44/59/883664459.db2.gz GMWKTXXRQFSGPC-QGZVFWFLSA-N 1 0 399.539 3.640 10 0 GHAERO Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)c1 ZINC000186592435 883667165 /nfs/dbraw/zinc/66/71/65/883667165.db2.gz QSBJYJAKMUYDHG-UHFFFAOYSA-N 1 0 395.507 3.568 10 0 GHAERO COc1ccccc1CCN(C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000105083524 884110417 /nfs/dbraw/zinc/11/04/17/884110417.db2.gz DMMIFQWQLRKUSX-GOSISDBHSA-N 1 0 387.549 3.778 10 0 GHAERO CN1CC[NH+](CC2CCN(C(=O)N[C@H](c3cccs3)C(C)(C)C)CC2)CC1 ZINC000192155735 884243047 /nfs/dbraw/zinc/24/30/47/884243047.db2.gz PWXRITQKJDZPBV-LJQANCHMSA-N 1 0 392.613 3.504 10 0 GHAERO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CCC[C@@H](c2nccs2)C1 ZINC000114819621 886328687 /nfs/dbraw/zinc/32/86/87/886328687.db2.gz QKVAXVAXEDDTOL-HZPDHXFCSA-N 1 0 390.578 3.931 10 0 GHAERO COc1ccccc1C(C)(C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000116544787 886365417 /nfs/dbraw/zinc/36/54/17/886365417.db2.gz NUCBYJLFZQLJLH-XLIONFOSSA-N 1 0 396.535 3.535 10 0 GHAERO Cn1ccnc1CC1CC[NH+](Cc2ccccc2OCc2cccnc2)CC1 ZINC000121793537 886568283 /nfs/dbraw/zinc/56/82/83/886568283.db2.gz OBWKJMJEFRQRTA-UHFFFAOYSA-N 1 0 376.504 3.849 10 0 GHAERO CC(C)Cn1cc(C(F)F)c(C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)n1 ZINC000134994252 887934236 /nfs/dbraw/zinc/93/42/36/887934236.db2.gz NUOIASWZIYBGRQ-HNNXBMFYSA-N 1 0 376.451 3.610 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H](OC(C)(C)C)c1ccccc1 ZINC000245549614 888907132 /nfs/dbraw/zinc/90/71/32/888907132.db2.gz OHPVEVCRMFELDM-COPCDDAFSA-N 1 0 395.547 3.965 10 0 GHAERO C[N@@H+]1CC[C@H](CNC(=O)CC[C@H]2CCCCO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245667755 889193574 /nfs/dbraw/zinc/19/35/74/889193574.db2.gz HLIDIIPNOWQQLW-JXXFODFXSA-N 1 0 382.907 3.937 10 0 GHAERO CCC(CC)n1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1C ZINC000245706175 889337756 /nfs/dbraw/zinc/33/77/56/889337756.db2.gz XSFFGIYOXJQMMU-IERDGZPVSA-N 1 0 383.540 3.588 10 0 GHAERO COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1OCc1cccnc1 ZINC000246114991 890402037 /nfs/dbraw/zinc/40/20/37/890402037.db2.gz NTRUEFJUFNAVOP-STZQEDGTSA-N 1 0 380.488 3.716 10 0 GHAERO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(Cl)cc1F ZINC000246289379 890946252 /nfs/dbraw/zinc/94/62/52/890946252.db2.gz BINQEWFKDIPYDY-KUHUBIRLSA-N 1 0 375.875 3.823 10 0 GHAERO O=C(CN1CCC[C@H]1C[NH+]1CCCC1)Nc1c(Cl)cccc1C(F)(F)F ZINC000066536905 891123966 /nfs/dbraw/zinc/12/39/66/891123966.db2.gz HMBOZHCCSQVZLJ-ZDUSSCGKSA-N 1 0 389.849 3.858 10 0 GHAERO CSc1ccc(Cl)cc1NC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000068314211 891175166 /nfs/dbraw/zinc/17/51/66/891175166.db2.gz OPEDTYJQYXVETH-ZDUSSCGKSA-N 1 0 383.945 3.779 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccccc1OC(F)F ZINC000247000568 891330360 /nfs/dbraw/zinc/33/03/60/891330360.db2.gz LUVKURUITHQFFM-GOEBONIOSA-N 1 0 390.434 3.715 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000247187470 891352671 /nfs/dbraw/zinc/35/26/71/891352671.db2.gz KSRNHIZORYFQDG-KBXCAEBGSA-N 1 0 377.410 3.741 10 0 GHAERO Cc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)o1 ZINC000247211159 891354554 /nfs/dbraw/zinc/35/45/54/891354554.db2.gz WZDYZATXKIWXOO-RTBURBONSA-N 1 0 377.506 3.642 10 0 GHAERO COc1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1OCc1ccncc1 ZINC000247257677 891359855 /nfs/dbraw/zinc/35/98/55/891359855.db2.gz XMGLFYJTOANMHM-NHCUHLMSSA-N 1 0 381.520 3.585 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc2scnc2c1 ZINC000247545522 891382507 /nfs/dbraw/zinc/38/25/07/891382507.db2.gz ROFXSLMBHJANKZ-RHSMWYFYSA-N 1 0 381.505 3.723 10 0 GHAERO C[N@@H+]1CC[C@H](NC(=O)CCC(=O)CCC(=O)c2cccs2)[C@H]1c1ccccc1 ZINC000247990970 891405739 /nfs/dbraw/zinc/40/57/39/891405739.db2.gz JERQZHWFSFXXKU-PGRDOPGGSA-N 1 0 398.528 3.622 10 0 GHAERO CSCc1ccccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248744455 891465025 /nfs/dbraw/zinc/46/50/25/891465025.db2.gz RSZRJHFCLKQLQS-VQIMIIECSA-N 1 0 384.549 3.977 10 0 GHAERO Fc1ccc([C@@H](NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c2ncc[nH]2)cc1 ZINC000248847499 891474959 /nfs/dbraw/zinc/47/49/59/891474959.db2.gz SGRVKPBQLUZJAV-FGZHOGPDSA-N 1 0 394.494 3.519 10 0 GHAERO Cc1cnccc1CC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249109771 891495786 /nfs/dbraw/zinc/49/57/86/891495786.db2.gz AQWQLKGMKZLBFP-UZLBHIALSA-N 1 0 375.875 3.534 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N1CCC(c2ccsc2)CC1 ZINC000249112252 891497130 /nfs/dbraw/zinc/49/71/30/891497130.db2.gz CFGVNNPHOWXXHD-LAUBAEHRSA-N 1 0 398.576 3.943 10 0 GHAERO CCOCCC[N@@H+]1CC[C@H](NCc2ncc(-c3ccccc3F)o2)[C@@H](C)C1 ZINC000249391895 891504584 /nfs/dbraw/zinc/50/45/84/891504584.db2.gz RYJFGQHRGHOSSO-LPHOPBHVSA-N 1 0 375.488 3.707 10 0 GHAERO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)Nc2ccc(F)cc2C(F)(F)F)CC1 ZINC000333136699 899990387 /nfs/dbraw/zinc/99/03/87/899990387.db2.gz KIVXNRXFPSNZKN-HOCLYGCPSA-N 1 0 389.393 3.595 10 0 GHAERO O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000333372906 902044252 /nfs/dbraw/zinc/04/42/52/902044252.db2.gz MRDZSISSDNADJO-QWFCFKBJSA-N 1 0 383.536 3.854 10 0 GHAERO Cc1cc(Nc2ccc(N3CC[NH+](C)CC3)cc2)c2ccc(C(=O)[O-])cc2[nH+]1 ZINC000004226554 204032368 /nfs/dbraw/zinc/03/23/68/204032368.db2.gz FAASKSRSIBCNDP-UHFFFAOYSA-N 1 0 376.460 3.737 10 0 GHAERO Cc1ccc(NC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1Cl ZINC000006785760 204205885 /nfs/dbraw/zinc/20/58/85/204205885.db2.gz LTGFEEMUBQQSFQ-UHFFFAOYSA-N 1 0 386.927 3.982 10 0 GHAERO CCOC(=O)c1ccccc1NC(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000006877190 204218601 /nfs/dbraw/zinc/21/86/01/204218601.db2.gz QQAAHTXJJRLFCJ-UHFFFAOYSA-N 1 0 387.524 3.839 10 0 GHAERO Cc1cccc(C)c1OC[C@@H](C)Nc1nc(-c2ccncc2)nc2c1C[NH2+]C2 ZINC000072159261 205312373 /nfs/dbraw/zinc/31/23/73/205312373.db2.gz LDLRBZNCFNYKBN-MRXNPFEDSA-N 1 0 375.476 3.638 10 0 GHAERO C[C@H]([NH2+]CC[C@H](CO)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000725266915 570325047 /nfs/dbraw/zinc/32/50/47/570325047.db2.gz MKQCSPQRHVFWEW-FXAWDEMLSA-N 1 0 376.541 3.983 10 0 GHAERO COC[C@H](O)C[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccccc1 ZINC000035840490 570463465 /nfs/dbraw/zinc/46/34/65/570463465.db2.gz DWXXZRRCHMIFPP-HSZRJFAPSA-N 1 0 382.479 3.685 10 0 GHAERO COc1cc(C[NH2+]Cc2ccco2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000013731469 570783093 /nfs/dbraw/zinc/78/30/93/570783093.db2.gz YQNGTMXMDFADFV-UHFFFAOYSA-N 1 0 380.444 3.904 10 0 GHAERO COc1cccc(N2CC[C@@H](C[NH2+][C@@H](C)c3cnn(-c4ccccn4)c3C)C2)c1 ZINC000157492070 834947259 /nfs/dbraw/zinc/94/72/59/834947259.db2.gz LEKOFXDQFAOXIX-HKUYNNGSSA-N 1 0 391.519 3.761 10 0 GHAERO O=C(C[N@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1)N(C1CC1)C1CCCC1 ZINC000329732400 835810987 /nfs/dbraw/zinc/81/09/87/835810987.db2.gz IUGLNDAQGGLAJN-ZDUSSCGKSA-N 1 0 384.446 3.542 10 0 GHAERO COc1ccccc1SC[C@@H](C)CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000103620411 837352439 /nfs/dbraw/zinc/35/24/39/837352439.db2.gz WETCGYMOHMUSMU-KRWDZBQOSA-N 1 0 391.581 3.693 10 0 GHAERO Cc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1OCC1CCOCC1 ZINC000119491118 840323864 /nfs/dbraw/zinc/32/38/64/840323864.db2.gz BEKCSGWJWNNEBO-FQEVSTJZSA-N 1 0 387.524 3.502 10 0 GHAERO CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c2)CC1 ZINC000120242415 840955076 /nfs/dbraw/zinc/95/50/76/840955076.db2.gz WSAJKLOTVZUMFV-LADGPHEKSA-N 1 0 399.579 3.755 10 0 GHAERO Cc1cc(-c2cc(C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)c3c(C)noc3n2)c(C)o1 ZINC000408145019 841139562 /nfs/dbraw/zinc/13/95/62/841139562.db2.gz PFWGWKCACQCVPN-DNVCBOLYSA-N 1 0 394.475 3.574 10 0 GHAERO COCC[NH+]1[C@@H](C)CN(C(=O)Nc2cc(-c3nc(C)co3)ccc2C)C[C@@H]1C ZINC000151363181 845193299 /nfs/dbraw/zinc/19/32/99/845193299.db2.gz WWCBIWPDKPHVAG-IRXDYDNUSA-N 1 0 386.496 3.531 10 0 GHAERO CC(=O)c1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1C ZINC000119689690 846244205 /nfs/dbraw/zinc/24/42/05/846244205.db2.gz UHCWERBEYLOKAG-HRAATJIYSA-N 1 0 380.492 3.625 10 0 GHAERO COC(=O)c1c(C2CC2)csc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000153865178 849086528 /nfs/dbraw/zinc/08/65/28/849086528.db2.gz SVNOGXAQVBWYNH-UHFFFAOYSA-N 1 0 377.510 3.504 10 0 GHAERO Cc1cc(NC(=O)N2CCC([NH+]3CCCC3)CC2)ccc1NC(=O)c1ccco1 ZINC000154257539 849229808 /nfs/dbraw/zinc/22/98/08/849229808.db2.gz WXMQIDJAAFQDFW-UHFFFAOYSA-N 1 0 396.491 3.932 10 0 GHAERO FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3ncccn3)CC1)CC2 ZINC000155939729 849705122 /nfs/dbraw/zinc/70/51/22/849705122.db2.gz QHUSAXZEAZLTKX-KRWDZBQOSA-N 1 0 378.398 3.621 10 0 GHAERO C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cc(Br)ccc3F)n1)OC2 ZINC000329695853 862100681 /nfs/dbraw/zinc/10/06/81/862100681.db2.gz XRGREAPYHVYXAS-BBRMVZONSA-N 1 0 382.233 3.564 10 0 GHAERO O=C1CC[C@@H](NCc2nc(-c3ccc(C(F)(F)F)cc3)no2)C2(CCC2)N1 ZINC000328705085 854516372 /nfs/dbraw/zinc/51/63/72/854516372.db2.gz PDAXXGVFPZFOQR-CYBMUJFWSA-N 1 0 380.370 3.887 10 0 GHAERO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000051056372 854689084 /nfs/dbraw/zinc/68/90/84/854689084.db2.gz TTXMGMCCQQDQOA-LSDHHAIUSA-N 1 0 380.916 3.723 10 0 GHAERO C[C@@H](CC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1)C1CC[NH2+]CC1 ZINC000168904320 881928075 /nfs/dbraw/zinc/92/80/75/881928075.db2.gz YFTOYBBJMZQBKL-FXAWDEMLSA-N 1 0 380.536 3.809 10 0 GHAERO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1csc(-c2ccsc2)n1 ZINC000172247306 882190075 /nfs/dbraw/zinc/19/00/75/882190075.db2.gz UHXBYCKVSPVDFT-UHFFFAOYSA-N 1 0 384.530 3.661 10 0 GHAERO COc1ccc2sc(C(=O)N3CCC([N@@H+]4CCO[C@H](C)C4)CC3)c(C)c2c1 ZINC000173625540 882386859 /nfs/dbraw/zinc/38/68/59/882386859.db2.gz ASXWDFCCMXTAQE-CQSZACIVSA-N 1 0 388.533 3.544 10 0 GHAERO Cc1occc1-c1cc(NC2CC[NH+](Cc3ccccc3)CC2)n(CCO)n1 ZINC000174340267 882453864 /nfs/dbraw/zinc/45/38/64/882453864.db2.gz BXYSIMMFGVSQOE-UHFFFAOYSA-N 1 0 380.492 3.520 10 0 GHAERO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000174551749 882480956 /nfs/dbraw/zinc/48/09/56/882480956.db2.gz SXTQTAHAZWXEFP-CQSZACIVSA-N 1 0 376.888 3.759 10 0 GHAERO CC(C)CCOc1ccc(NC(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000174978555 882510955 /nfs/dbraw/zinc/51/09/55/882510955.db2.gz OLGJLZMRXXMEDG-SFHVURJKSA-N 1 0 389.540 3.829 10 0 GHAERO Cc1cccc2[nH]c(CCC(=O)N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)nc21 ZINC000175965156 882651001 /nfs/dbraw/zinc/65/10/01/882651001.db2.gz BQVGIOCUEWNANT-IBGZPJMESA-N 1 0 382.552 3.774 10 0 GHAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)[C@H]3C[C@@H]3c3cccc4ccccc43)C2)CC1 ZINC000175988372 882653868 /nfs/dbraw/zinc/65/38/68/882653868.db2.gz QQDLWQIZDUDQCH-HUVFLSCGSA-N 1 0 391.559 3.572 10 0 GHAERO CC(C)Oc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000116486380 873514943 /nfs/dbraw/zinc/51/49/43/873514943.db2.gz WBSVZMGZXMQEDM-UWJYYQICSA-N 1 0 382.508 3.901 10 0 GHAERO COc1cccc(C[C@H]([NH2+]Cc2cccnc2-n2cncn2)c2ccccc2)c1 ZINC000178050182 882860844 /nfs/dbraw/zinc/86/08/44/882860844.db2.gz KFKZYPHGVNJXGY-QFIPXVFZSA-N 1 0 385.471 3.745 10 0 GHAERO CC(C)Cn1cc(C(F)F)c(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC000119137661 874944762 /nfs/dbraw/zinc/94/47/62/874944762.db2.gz IDESBLFYYXZFHR-UHFFFAOYSA-N 1 0 390.478 3.825 10 0 GHAERO O=C1C[C@@H](C[NH2+]Cc2cccn2Cc2cccs2)CN1Cc1ccccc1 ZINC000179056444 882948762 /nfs/dbraw/zinc/94/87/62/882948762.db2.gz BCWPAACXDJBYQB-IBGZPJMESA-N 1 0 379.529 3.736 10 0 GHAERO Cc1cccc2[nH]c(CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)nc21 ZINC000178861025 882959373 /nfs/dbraw/zinc/95/93/73/882959373.db2.gz CSOOWYUPPRQPME-UHFFFAOYSA-N 1 0 376.504 3.585 10 0 GHAERO C[C@@H](Nc1ccc(OC2CC[NH+](C)CC2)nc1)c1cccc(N2CCOC2=O)c1 ZINC000179740068 882997019 /nfs/dbraw/zinc/99/70/19/882997019.db2.gz APZXHQUFYLQTOJ-MRXNPFEDSA-N 1 0 396.491 3.684 10 0 GHAERO Cn1cc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c(-c2ccccc2)n1 ZINC000179613317 883014121 /nfs/dbraw/zinc/01/41/21/883014121.db2.gz JQHFXVMSXQVQFM-UHFFFAOYSA-N 1 0 380.536 3.702 10 0 GHAERO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000180010671 883044372 /nfs/dbraw/zinc/04/43/72/883044372.db2.gz XLSGAXQNVOBHNA-AUUYWEPGSA-N 1 0 397.544 3.819 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCc1ccc2[nH]ccc2c1 ZINC000180858914 883103682 /nfs/dbraw/zinc/10/36/82/883103682.db2.gz POTARNOWOGQTEW-UWJYYQICSA-N 1 0 376.504 3.522 10 0 GHAERO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000182536769 883225722 /nfs/dbraw/zinc/22/57/22/883225722.db2.gz FZNHGLJLSWSTLR-OPAMFIHVSA-N 1 0 395.503 3.668 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)OCCO3)c2ccc(F)cc2C1 ZINC000184517659 883351169 /nfs/dbraw/zinc/35/11/69/883351169.db2.gz NMSLUNYEGQEUDL-XOBRGWDASA-N 1 0 384.451 3.741 10 0 GHAERO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c2ccc(F)cc2C1 ZINC000184538793 883354121 /nfs/dbraw/zinc/35/41/21/883354121.db2.gz WYTQUUWGXDTXFW-OYHNWAKOSA-N 1 0 393.466 3.551 10 0 GHAERO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000188953498 883906320 /nfs/dbraw/zinc/90/63/20/883906320.db2.gz GLIMMSKDIZHZHJ-SFHVURJKSA-N 1 0 377.444 3.770 10 0 GHAERO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccccc1OCC(=O)NCC1CC1 ZINC000188952518 883906390 /nfs/dbraw/zinc/90/63/90/883906390.db2.gz RXRZFDRAFSUDEJ-FQEVSTJZSA-N 1 0 380.488 3.513 10 0 GHAERO O=C(C1CC[NH+](Cc2cnn(Cc3ccc(F)cc3)c2)CC1)N1CCCCCC1 ZINC000189585339 883966015 /nfs/dbraw/zinc/96/60/15/883966015.db2.gz WICBFIVHHJNCFM-UHFFFAOYSA-N 1 0 398.526 3.685 10 0 GHAERO CCS(=O)(=O)CCCCC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000190872100 884117472 /nfs/dbraw/zinc/11/74/72/884117472.db2.gz SWSFJENTEBOFIF-LJQANCHMSA-N 1 0 389.565 3.861 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+]CCCc2ccc3c(c2)CCO3)c2ccc(F)cc2C1 ZINC000193315027 884338154 /nfs/dbraw/zinc/33/81/54/884338154.db2.gz ZNFSFDVSXYYGQK-QFIPXVFZSA-N 1 0 382.479 3.776 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3ccc(F)cc3C(F)(F)F)CC2)CCO1 ZINC000102800427 885976844 /nfs/dbraw/zinc/97/68/44/885976844.db2.gz QOIMKGHUVLETPK-GFCCVEGCSA-N 1 0 389.393 3.562 10 0 GHAERO Cc1ccc(N2CCCC2)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000116766703 886372635 /nfs/dbraw/zinc/37/26/35/886372635.db2.gz PJBRIYHSXDUVIY-SIKLNZKXSA-N 1 0 392.547 3.631 10 0 GHAERO O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262452467 886507364 /nfs/dbraw/zinc/50/73/64/886507364.db2.gz GBYNEYZYYVAJQK-OEYPQALGSA-N 1 0 396.556 3.995 10 0 GHAERO O=C(c1cc2c(cccc2Br)[nH]1)N1CCC([NH+]2CCCC2)CC1 ZINC000124746908 886791661 /nfs/dbraw/zinc/79/16/61/886791661.db2.gz GYQWUWAZDSSHSS-UHFFFAOYSA-N 1 0 376.298 3.631 10 0 GHAERO C[N@@H+]1CC[C@H](CNC(=O)CCc2cscn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245656036 889173914 /nfs/dbraw/zinc/17/39/14/889173914.db2.gz DNQWHKCKVJYVEV-FZKQIMNGSA-N 1 0 381.904 3.677 10 0 GHAERO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1csc([C@H]2CCCO2)n1 ZINC000245693203 889243747 /nfs/dbraw/zinc/24/37/47/889243747.db2.gz KAXLIIZKNKETSR-RHSMWYFYSA-N 1 0 391.562 3.698 10 0 GHAERO CN(C[C@@H]1CCCOC1)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245715448 889414444 /nfs/dbraw/zinc/41/44/44/889414444.db2.gz PZESRGHRKJSBEY-ZSZQSSIHSA-N 1 0 397.922 3.540 10 0 GHAERO Cc1cc(C[N@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)ccc1Oc1cccnc1 ZINC000245722754 889452501 /nfs/dbraw/zinc/45/25/01/889452501.db2.gz DMNFWHMCYVEOSB-DENIHFKCSA-N 1 0 392.503 3.861 10 0 GHAERO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000245879813 889922617 /nfs/dbraw/zinc/92/26/17/889922617.db2.gz NLXOWWUOBOFRBT-MNEFBYGVSA-N 1 0 376.907 3.946 10 0 GHAERO COc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c(OC)c1OC ZINC000246210051 890736928 /nfs/dbraw/zinc/73/69/28/890736928.db2.gz MJUGWYRMPZJSFL-JKSUJKDBSA-N 1 0 377.506 3.862 10 0 GHAERO CCC(CC)c1cc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)on1 ZINC000246402358 891229638 /nfs/dbraw/zinc/22/96/38/891229638.db2.gz RPVAKIHJTJMSBD-UZLBHIALSA-N 1 0 399.539 3.683 10 0 GHAERO O=C(CN1CCC[C@@H]1C[C@@H](O)c1ccco1)Nc1nc(-c2ccco2)cs1 ZINC000246660090 891296257 /nfs/dbraw/zinc/29/62/57/891296257.db2.gz PVVFFLMPIYNJIZ-UKRRQHHQSA-N 1 0 387.461 3.523 10 0 GHAERO CCCCCCNC(=O)[C@H]1CCC[N@@H+]([C@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000246654141 891296581 /nfs/dbraw/zinc/29/65/81/891296581.db2.gz FIFPXOMQLXRISD-AEFFLSMTSA-N 1 0 385.512 3.601 10 0 GHAERO Cc1ccc(OCc2nc(CN3CCS[C@@H]4COCC[C@H]43)cs2)cc1 ZINC000246735864 891302587 /nfs/dbraw/zinc/30/25/87/891302587.db2.gz GKXDKQHZNWVANJ-QZTJIDSGSA-N 1 0 376.547 3.737 10 0 GHAERO CC[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1nc(C)cs1 ZINC000247046323 891337806 /nfs/dbraw/zinc/33/78/06/891337806.db2.gz OGWXVSBILRDWPC-FHLIZLRMSA-N 1 0 387.553 3.507 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)COc1ccc2ccccc2c1 ZINC000247063280 891340957 /nfs/dbraw/zinc/34/09/57/891340957.db2.gz BRBVMLPYTZJIIA-WZONZLPQSA-N 1 0 389.499 3.640 10 0 GHAERO Cc1ccccc1OCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247172830 891352006 /nfs/dbraw/zinc/35/20/06/891352006.db2.gz JPXGIQFQVQIAQR-TZIWHRDSSA-N 1 0 381.520 3.576 10 0 GHAERO C[C@@H]1CN(c2ccc(C[NH2+][C@H]3CCCOc4c(Cl)cccc43)cn2)CCO1 ZINC000247224754 891355942 /nfs/dbraw/zinc/35/59/42/891355942.db2.gz XWVAAMUKADQYPB-BEFAXECRSA-N 1 0 387.911 3.964 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCOc1ccccc1Cl ZINC000247247069 891359068 /nfs/dbraw/zinc/35/90/68/891359068.db2.gz PDUQMLMJEVPBTN-VQIMIIECSA-N 1 0 387.911 3.531 10 0 GHAERO CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c2ccccc21 ZINC000247329765 891368357 /nfs/dbraw/zinc/36/83/57/891368357.db2.gz YBPBDXBFKZJNRJ-UTKZUKDTSA-N 1 0 376.504 3.697 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1C[C@H]1c1ccccc1Cl ZINC000247113562 891370634 /nfs/dbraw/zinc/37/06/34/891370634.db2.gz GAFGGGULUMUSKF-CCMRYFRJSA-N 1 0 383.923 3.865 10 0 GHAERO Cc1cccn2c(=O)cc(CNc3cccc4c3C[N@H+]([C@H](C)C(C)C)C4)nc12 ZINC000075826016 891380474 /nfs/dbraw/zinc/38/04/74/891380474.db2.gz GFHNKJPJUMBUGG-QGZVFWFLSA-N 1 0 376.504 3.975 10 0 GHAERO CCOCc1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247539272 891383240 /nfs/dbraw/zinc/38/32/40/891383240.db2.gz QMZKUKCENKHMRB-UTKZUKDTSA-N 1 0 382.508 3.650 10 0 GHAERO CC(C)N(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000247578703 891387938 /nfs/dbraw/zinc/38/79/38/891387938.db2.gz YASZXYPXXCIGOR-SIKLNZKXSA-N 1 0 380.536 3.912 10 0 GHAERO Cc1ccc(C2(C(=O)N[C@H]3CC[N@@H+](C)[C@H]3c3ccccc3)CCOCC2)cc1 ZINC000248135931 891410533 /nfs/dbraw/zinc/41/05/33/891410533.db2.gz XKVJEWVZAUHHKK-VXKWHMMOSA-N 1 0 378.516 3.605 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(-c2cncnc2)cc1F ZINC000248514380 891423990 /nfs/dbraw/zinc/42/39/90/891423990.db2.gz DWYXGODOJKUQPD-KSFYIVLOSA-N 1 0 390.462 3.533 10 0 GHAERO Cc1ccc(N2CCOC2=O)cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000249079570 891493941 /nfs/dbraw/zinc/49/39/41/891493941.db2.gz SGIQRKPFQWSEMQ-ICSRJNTNSA-N 1 0 394.475 3.519 10 0 GHAERO C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000253551580 891878437 /nfs/dbraw/zinc/87/84/37/891878437.db2.gz ZACMMUOXUNLVPT-KZNAEPCWSA-N 1 0 398.551 3.608 10 0 GHAERO Cc1cc(Sc2ccccc2)ccc1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261938417 892170228 /nfs/dbraw/zinc/17/02/28/892170228.db2.gz MNMTUFVOKFPPCQ-UXHICEINSA-N 1 0 392.528 3.821 10 0 GHAERO CC(C)(C)c1cc(NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)n(C(C)(C)C)n1 ZINC000333103707 899965093 /nfs/dbraw/zinc/96/50/93/899965093.db2.gz FEZDFOWKNRYFID-MRXNPFEDSA-N 1 0 375.561 3.932 10 0 GHAERO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Nc2ncc(C3CCCCC3)s2)CC1 ZINC000333187045 900020281 /nfs/dbraw/zinc/02/02/81/900020281.db2.gz TYRGQRPQQODIKI-AEFFLSMTSA-N 1 0 392.569 3.941 10 0 GHAERO Cc1c(Br)cccc1NC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333209890 900038557 /nfs/dbraw/zinc/03/85/57/900038557.db2.gz ZLVBRMHFEYHRSJ-NVXWUHKLSA-N 1 0 396.329 3.508 10 0 GHAERO O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000333353814 902030611 /nfs/dbraw/zinc/03/06/11/902030611.db2.gz JYGYLWCGFHRZTK-AZUAARDMSA-N 1 0 383.536 3.854 10 0 GHAERO Cc1nc([C@@H]2CCCN2C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cs1 ZINC000189970528 908395215 /nfs/dbraw/zinc/39/52/15/908395215.db2.gz HQGPZOQZWPKJCB-ROUUACIJSA-N 1 0 376.501 3.740 10 0 GHAERO COCCC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036095233 205005422 /nfs/dbraw/zinc/00/54/22/205005422.db2.gz ALLRXFFZZKTAQS-LJQANCHMSA-N 1 0 393.911 3.627 10 0 GHAERO CCOCCC[NH2+]CCOc1ccc(Br)cc1Br ZINC000053586731 205138901 /nfs/dbraw/zinc/13/89/01/205138901.db2.gz GBAPUZMVINIBDF-UHFFFAOYSA-N 1 0 381.108 3.607 10 0 GHAERO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccnc(-c2cccs2)c1 ZINC000064676036 222079680 /nfs/dbraw/zinc/07/96/80/222079680.db2.gz QHNLUAHBHFKLFG-UHFFFAOYSA-N 1 0 377.513 3.988 10 0 GHAERO [NH3+][C@@H]1CCN(c2cc(-c3ccncc3)nc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000073684064 527364175 /nfs/dbraw/zinc/36/41/75/527364175.db2.gz HYYRCTQOSDZTNB-MRXNPFEDSA-N 1 0 385.393 3.762 10 0 GHAERO CCc1cc(OC)c(OC)cc1[C@@H]1CC2(OCCO2)[C@@H]2CCCC[C@@H]2[N@@H+]1C ZINC000048524027 570250994 /nfs/dbraw/zinc/25/09/94/570250994.db2.gz NDHIZGXRKXDSMH-QYZOEREBSA-N 1 0 375.509 3.945 10 0 GHAERO Cc1noc2nc(-c3ccccc3)cc(C(=O)N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)c12 ZINC000113229033 837822341 /nfs/dbraw/zinc/82/23/41/837822341.db2.gz SCYFIGUKMWKCIF-YOEHRIQHSA-N 1 0 376.460 3.507 10 0 GHAERO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)c3cc4c([nH]c3=O)CCCCC4)C1)CCCC2 ZINC000275231588 836427667 /nfs/dbraw/zinc/42/76/67/836427667.db2.gz DWSLCDFABQGGQS-KRWDZBQOSA-N 1 0 394.519 3.527 10 0 GHAERO CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000080086460 836553330 /nfs/dbraw/zinc/55/33/30/836553330.db2.gz OGCNEZIYNLRKBC-HNNXBMFYSA-N 1 0 375.488 3.557 10 0 GHAERO CCCc1cc(=O)[nH]c(-c2ccc(CN(C)[C@H](COC)c3ccccn3)cc2)n1 ZINC000023428781 837073135 /nfs/dbraw/zinc/07/31/35/837073135.db2.gz SBKIVOLPUNTTJC-OAQYLSRUSA-N 1 0 392.503 3.604 10 0 GHAERO C[C@@H](Sc1ccc(F)c(F)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000105678347 841755464 /nfs/dbraw/zinc/75/54/64/841755464.db2.gz VEGCBTQWSGRKOV-GDBMZVCRSA-N 1 0 376.472 3.836 10 0 GHAERO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)/C=C\c2ncccc2C)CC1 ZINC000588452535 843310054 /nfs/dbraw/zinc/31/00/54/843310054.db2.gz PDVFTSDMTRWVFE-IQBZNYMQSA-N 1 0 396.510 3.562 10 0 GHAERO Cc1cc(-c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)ccc1Br ZINC000329615604 861778530 /nfs/dbraw/zinc/77/85/30/861778530.db2.gz SFSBPHCLJJLGMY-PBHICJAKSA-N 1 0 378.270 3.733 10 0 GHAERO Cc1c([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)c(F)c2)cnn1-c1ccccn1 ZINC000153641171 848826825 /nfs/dbraw/zinc/82/68/25/848826825.db2.gz SYJVDNGJGNCMPQ-OAHLLOKOSA-N 1 0 376.439 3.751 10 0 GHAERO Cc1c2cccc(Cl)c2oc1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329123236 849064745 /nfs/dbraw/zinc/06/47/45/849064745.db2.gz XBRJQMVRTWKJHF-UHFFFAOYSA-N 1 0 376.884 3.769 10 0 GHAERO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(-c3ccc(F)cc3)c2)C[C@H]1C ZINC000330153073 862619721 /nfs/dbraw/zinc/61/97/21/862619721.db2.gz WZSJCMBSEAATEK-PAKCZWLMSA-N 1 0 398.526 3.945 10 0 GHAERO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)cc2)C1 ZINC000162231600 859829019 /nfs/dbraw/zinc/82/90/19/859829019.db2.gz SCVGYQJGANRMNQ-ZFJSRUIDSA-N 1 0 399.579 3.755 10 0 GHAERO CCCOc1cn(-c2ccccc2)nc1C(=O)NCC1CC[NH+](CCC)CC1 ZINC000103078374 863887185 /nfs/dbraw/zinc/88/71/85/863887185.db2.gz HRIHZXAQHPBAAG-UHFFFAOYSA-N 1 0 384.524 3.513 10 0 GHAERO COCc1cc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)nc(C(C)(C)C)n1 ZINC000301775777 865532333 /nfs/dbraw/zinc/53/23/33/865532333.db2.gz GMNLXYIDJRHEFR-LPHOPBHVSA-N 1 0 383.540 3.638 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)c3cc(C4CC4)nc4ccc(F)cc43)CC2)CCO1 ZINC000173252770 882345157 /nfs/dbraw/zinc/34/51/57/882345157.db2.gz NUMJLGCPNNOJHS-HNNXBMFYSA-N 1 0 397.494 3.577 10 0 GHAERO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H](c2nccs2)C1 ZINC000114777613 870173467 /nfs/dbraw/zinc/17/34/67/870173467.db2.gz AOMRXGPDPRQIKN-SFHVURJKSA-N 1 0 384.549 3.697 10 0 GHAERO O=C(/C=C/c1cnc2ccccc2n1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103097068 871271846 /nfs/dbraw/zinc/27/18/46/871271846.db2.gz FCBKJHATQPVATA-CVTTXWKISA-N 1 0 378.520 3.758 10 0 GHAERO Cc1cccc2[nH]c(CCC(=O)NC3CC[NH+](Cc4ccc(F)cc4)CC3)nc21 ZINC000175677062 882572039 /nfs/dbraw/zinc/57/20/39/882572039.db2.gz KABLGZMIYJGRHW-UHFFFAOYSA-N 1 0 394.494 3.724 10 0 GHAERO Cc1cccc2[nH]c(CCC(=O)N(C)C3CC[NH+](Cc4ccccc4)CC3)nc21 ZINC000176506040 882700213 /nfs/dbraw/zinc/70/02/13/882700213.db2.gz UZPJRWCYTDDDAJ-UHFFFAOYSA-N 1 0 390.531 3.927 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000116492455 873517423 /nfs/dbraw/zinc/51/74/23/873517423.db2.gz PNRCMUDCMJIUDT-QAPCUYQASA-N 1 0 396.491 3.621 10 0 GHAERO O=C(CCC[NH2+]C1CCN(Cc2cccnc2)CC1)Nc1ccc(Cl)cc1 ZINC000177911721 882849813 /nfs/dbraw/zinc/84/98/13/882849813.db2.gz SSAUFBRCNCHFTC-UHFFFAOYSA-N 1 0 386.927 3.708 10 0 GHAERO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(SCC(F)F)cc1 ZINC000178048536 882860461 /nfs/dbraw/zinc/86/04/61/882860461.db2.gz HLWORXGAJNQVBA-ZDUSSCGKSA-N 1 0 375.448 3.870 10 0 GHAERO COc1ccc([C@@H](C)Nc2ccc(OC3CC[NH+](C)CC3)nc2)cc1NC(C)=O ZINC000179743183 883023215 /nfs/dbraw/zinc/02/32/15/883023215.db2.gz UZLXWXKEOHLHIS-OAHLLOKOSA-N 1 0 398.507 3.695 10 0 GHAERO CC(C)OC(=O)NCc1ccc(NC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000179928867 883038673 /nfs/dbraw/zinc/03/86/73/883038673.db2.gz BNLBPOICHSXUFK-UHFFFAOYSA-N 1 0 382.508 3.793 10 0 GHAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)Nc3cccc(Cl)c3Cl)C2)CC1 ZINC000179974352 883041458 /nfs/dbraw/zinc/04/14/58/883041458.db2.gz MMFQMHOUIXRTNS-AWEZNQCLSA-N 1 0 385.339 3.627 10 0 GHAERO CN(C)c1nc(-c2ccccc2)c(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)s1 ZINC000180459094 883059134 /nfs/dbraw/zinc/05/91/34/883059134.db2.gz MESLCQJNOVOSIE-DOTOQJQBSA-N 1 0 375.563 3.582 10 0 GHAERO COCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc(Br)c(C)c1 ZINC000180774766 883098376 /nfs/dbraw/zinc/09/83/76/883098376.db2.gz YWJHZAQWDQBOAY-IUODEOHRSA-N 1 0 379.302 3.681 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc(F)c(Cl)c1F ZINC000184515508 883350658 /nfs/dbraw/zinc/35/06/58/883350658.db2.gz VXURPDLDKPUBOA-WBMJQRKESA-N 1 0 379.838 3.654 10 0 GHAERO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c2ccc(F)cc2C1 ZINC000184538813 883354554 /nfs/dbraw/zinc/35/45/54/883354554.db2.gz WYTQUUWGXDTXFW-IVZQSRNASA-N 1 0 393.466 3.551 10 0 GHAERO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000185634147 883568928 /nfs/dbraw/zinc/56/89/28/883568928.db2.gz FHKIYCITNQAUCZ-DYVFJYSZSA-N 1 0 394.441 3.827 10 0 GHAERO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186384556 883652800 /nfs/dbraw/zinc/65/28/00/883652800.db2.gz MYPKZODXDDIWNV-UTKZUKDTSA-N 1 0 381.520 3.727 10 0 GHAERO O=C(CC[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1)c1ccc(F)cc1F ZINC000186634510 883679135 /nfs/dbraw/zinc/67/91/35/883679135.db2.gz RIJNVJDHELOFBS-OAHLLOKOSA-N 1 0 388.462 3.735 10 0 GHAERO O=C(Nc1ccccc1)Nc1ccc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000188688709 883869659 /nfs/dbraw/zinc/86/96/59/883869659.db2.gz MRZNBSJESAHFOY-UHFFFAOYSA-N 1 0 386.455 3.864 10 0 GHAERO Fc1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cn1 ZINC000189288655 883928463 /nfs/dbraw/zinc/92/84/63/883928463.db2.gz XFEIIXJPEHLARV-ZDUSSCGKSA-N 1 0 379.361 3.662 10 0 GHAERO CC1CC[NH+](CCCCNC(=O)N2CC3(CCOCC3)c3ccccc32)CC1 ZINC000191032799 884147161 /nfs/dbraw/zinc/14/71/61/884147161.db2.gz HYXNGLPIIYNANS-UHFFFAOYSA-N 1 0 385.552 3.777 10 0 GHAERO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000191034966 884149024 /nfs/dbraw/zinc/14/90/24/884149024.db2.gz BAACGALEMWATQW-LJQANCHMSA-N 1 0 385.552 3.919 10 0 GHAERO COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000191751700 884208260 /nfs/dbraw/zinc/20/82/60/884208260.db2.gz OFJAWAHNPGWJCP-OAHLLOKOSA-N 1 0 395.931 3.846 10 0 GHAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000106426119 886032701 /nfs/dbraw/zinc/03/27/01/886032701.db2.gz GAJOJSQEMIXHNV-HXUWFJFHSA-N 1 0 377.488 3.707 10 0 GHAERO Cc1nc2cc(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)ccc2o1 ZINC000116568965 886368442 /nfs/dbraw/zinc/36/84/42/886368442.db2.gz IEYQHIVXCJJEEQ-KSSFIOAISA-N 1 0 379.464 3.563 10 0 GHAERO CC(C)Oc1ccc(NC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1Cl ZINC000124615834 886774835 /nfs/dbraw/zinc/77/48/35/886774835.db2.gz DQNZGKHDLQYJJR-OAHLLOKOSA-N 1 0 395.931 3.844 10 0 GHAERO CCC(CC)[C@H](CNC(=O)CCc1nnc(-c2ccsc2)o1)[NH+]1CCCC1 ZINC000042545259 886797416 /nfs/dbraw/zinc/79/74/16/886797416.db2.gz UTMYPOVEWDCJBQ-KRWDZBQOSA-N 1 0 390.553 3.748 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc(F)cc1C(F)(F)F ZINC000126335384 886958656 /nfs/dbraw/zinc/95/86/56/886958656.db2.gz UNLCLHDIFWIHGP-ACJLOTCBSA-N 1 0 395.400 3.880 10 0 GHAERO CCCNC(=O)c1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)cc1Cl ZINC000054476921 888276203 /nfs/dbraw/zinc/27/62/03/888276203.db2.gz OGAZDKSUTNJVJC-UHFFFAOYSA-N 1 0 392.931 3.572 10 0 GHAERO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1ccccc1O2 ZINC000194079836 888555346 /nfs/dbraw/zinc/55/53/46/888555346.db2.gz POUVXYMHZAIAAQ-PBHICJAKSA-N 1 0 383.319 3.675 10 0 GHAERO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@@H](c3cccs3)c3ncc[nH]3)C2)c1 ZINC000195059756 888640844 /nfs/dbraw/zinc/64/08/44/888640844.db2.gz FYQWBWHOTYNISD-YWZLYKJASA-N 1 0 398.532 3.694 10 0 GHAERO Cc1ccccc1-c1noc([C@@H](C)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC000245495913 888796987 /nfs/dbraw/zinc/79/69/87/888796987.db2.gz QKUJPLZTKYSNMJ-CVEARBPZSA-N 1 0 386.496 3.953 10 0 GHAERO O[C@@H](C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1)c1ccccc1C(F)(F)F ZINC000245781904 889712993 /nfs/dbraw/zinc/71/29/93/889712993.db2.gz VDUODJYOLLEXBO-CJNGLKHVSA-N 1 0 380.414 3.614 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCc1ccc2[nH]ccc2c1 ZINC000245863926 889881312 /nfs/dbraw/zinc/88/13/12/889881312.db2.gz POTARNOWOGQTEW-LAUBAEHRSA-N 1 0 376.504 3.522 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)CCO1 ZINC000072013589 891237283 /nfs/dbraw/zinc/23/72/83/891237283.db2.gz HQHDYUSQNDRLFJ-IBGZPJMESA-N 1 0 378.516 3.530 10 0 GHAERO C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccncc1 ZINC000247000583 891330080 /nfs/dbraw/zinc/33/00/80/891330080.db2.gz LOPHPGFSFISALS-YUXAGFNASA-N 1 0 378.520 3.839 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000246993450 891331071 /nfs/dbraw/zinc/33/10/71/891331071.db2.gz LMLRFHJXYQOZLF-ZPMCFJSWSA-N 1 0 378.520 3.621 10 0 GHAERO COc1ccccc1[C@H](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000247184359 891353174 /nfs/dbraw/zinc/35/31/74/891353174.db2.gz KPOOWBXMNBOEIG-LVCYWYKZSA-N 1 0 381.520 3.611 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)C[C@@H]1CCCc2ccccc21 ZINC000247281884 891362360 /nfs/dbraw/zinc/36/23/60/891362360.db2.gz SIJUFZLWYIXZBA-QMHWCDLVSA-N 1 0 377.532 3.918 10 0 GHAERO C[C@@H](CC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1)c1cccc(C(F)(F)F)c1 ZINC000247117445 891371481 /nfs/dbraw/zinc/37/14/81/891371481.db2.gz PMFRHLYPBLVJPJ-HOTGVXAUSA-N 1 0 398.469 3.911 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c2ccc(F)cc2C1 ZINC000248738123 891457187 /nfs/dbraw/zinc/45/71/87/891457187.db2.gz QIIUWNBYXWXFES-XLDCRYFJSA-N 1 0 388.508 3.707 10 0 GHAERO CCS(=O)(=O)CCCCCN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249066978 891492546 /nfs/dbraw/zinc/49/25/46/891492546.db2.gz KGGZDYVYAHXUOG-FPOVZHCZSA-N 1 0 380.598 3.576 10 0 GHAERO Cc1ccc(Br)cc1NC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333231452 900054031 /nfs/dbraw/zinc/05/40/31/900054031.db2.gz YIURTBCIIUOHSE-DOTOQJQBSA-N 1 0 396.329 3.508 10 0 GHAERO c1cncc(-c2nc3sc4c(c3c(N3CC[C@]5(CC[NH2+]C5)C3)n2)CCCC4)c1 ZINC000333884804 902398007 /nfs/dbraw/zinc/39/80/07/902398007.db2.gz FNPIVUUGDIBXAY-QFIPXVFZSA-N 1 0 391.544 3.822 10 0 GHAERO c1cncc(-c2nc3sc4c(c3c(N3CC[C@@H]5[NH2+]CC[C@@H]5C3)n2)CCCC4)c1 ZINC000333931359 902433380 /nfs/dbraw/zinc/43/33/80/902433380.db2.gz ZXUWZMXZUBDPCU-WBVHZDCISA-N 1 0 391.544 3.820 10 0 GHAERO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333948329 902447536 /nfs/dbraw/zinc/44/75/36/902447536.db2.gz WFVOCKKOHRWRFD-MRXNPFEDSA-N 1 0 384.549 3.965 10 0 GHAERO CCOc1cc(C[NH2+]CCCn2ccnc2)cc(Br)c1OCC ZINC000010314065 204333780 /nfs/dbraw/zinc/33/37/80/204333780.db2.gz PFBQMYPCFLOHTQ-UHFFFAOYSA-N 1 0 382.302 3.623 10 0 GHAERO COCC[N@@H+]1CCC[C@@]2(CCN(Cc3c[nH]nc3-c3cc(C)ccc3C)C2)C1 ZINC000012306042 204394205 /nfs/dbraw/zinc/39/42/05/204394205.db2.gz IGOQWKVPWRVKCD-HSZRJFAPSA-N 1 0 382.552 3.628 10 0 GHAERO COc1cccc(C[NH2+]CCCN2CCCC2=O)c1OCc1ccc(F)cc1 ZINC000013727516 204508013 /nfs/dbraw/zinc/50/80/13/204508013.db2.gz RMNOCCVGIUJPBQ-UHFFFAOYSA-N 1 0 386.467 3.515 10 0 GHAERO CCC[C@H](O)C[NH+]1CCN(c2nc(C)nc(C)c2Cc2cc(C)ccc2C)CC1 ZINC000036340292 205010833 /nfs/dbraw/zinc/01/08/33/205010833.db2.gz PVSKTGDMLZMGSC-QFIPXVFZSA-N 1 0 396.579 3.584 10 0 GHAERO O[C@H](CC[NH2+]Cc1ccccc1)c1ccc(F)cc1I ZINC000036400079 205016767 /nfs/dbraw/zinc/01/67/67/205016767.db2.gz IUVJZIDDQDPSAI-MRXNPFEDSA-N 1 0 385.220 3.644 10 0 GHAERO CC(C)[C@@H](C[NH+]1CCCC1)N(C)Cc1ccc(I)cc1 ZINC000091692386 205424161 /nfs/dbraw/zinc/42/41/61/205424161.db2.gz YBAUTQZHZCMZFS-QGZVFWFLSA-N 1 0 386.321 3.843 10 0 GHAERO CN(Cc1cccc2cnccc21)C(=O)c1ccc(OCCC[NH3+])c(Cl)c1 ZINC000299766757 206187369 /nfs/dbraw/zinc/18/73/69/206187369.db2.gz LCDAIJNHEXRUGU-UHFFFAOYSA-N 1 0 383.879 3.888 10 0 GHAERO CCC(=O)N(c1cccc(OC)c1)C1CC[NH+](Cc2ccc(OC)c(O)c2)CC1 ZINC000034683457 570300911 /nfs/dbraw/zinc/30/09/11/570300911.db2.gz RUAIHTYOQBAQCB-UHFFFAOYSA-N 1 0 398.503 3.817 10 0 GHAERO CCOc1cc(C[NH2+]C[C@H]2CCCN2CC)cc(Br)c1OCC ZINC000022936426 570338818 /nfs/dbraw/zinc/33/88/18/570338818.db2.gz DMUWTHBQCLNEQV-OAHLLOKOSA-N 1 0 385.346 3.820 10 0 GHAERO c1c2c(sc1-c1nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no1)-c1ccccc1OC2 ZINC000329547669 835212360 /nfs/dbraw/zinc/21/23/60/835212360.db2.gz BACPDTUCRUZJCH-CZUORRHYSA-N 1 0 381.457 3.893 10 0 GHAERO O=C(Nc1ccnn1Cc1ccc(Cl)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000158409605 835363477 /nfs/dbraw/zinc/36/34/77/835363477.db2.gz QYSQPQQVDXQISV-KRWDZBQOSA-N 1 0 387.915 3.534 10 0 GHAERO COc1c(C)cc(CN(C)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1C ZINC000101607277 835381367 /nfs/dbraw/zinc/38/13/67/835381367.db2.gz RBYFGCAIKFCAHE-UHFFFAOYSA-N 1 0 396.535 3.513 10 0 GHAERO Cc1csc(-c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)c1Br ZINC000329665289 835566432 /nfs/dbraw/zinc/56/64/32/835566432.db2.gz KJAVAYYNADFKEV-MEBBXXQBSA-N 1 0 384.299 3.795 10 0 GHAERO c1ccc(-c2noc([C@@]34CCC[C@@H]3C[N@@H+](CCO[C@H]3CCCCO3)C4)n2)cc1 ZINC000328602660 836502916 /nfs/dbraw/zinc/50/29/16/836502916.db2.gz HCWQWXAVQOXLNE-XQBPLPMBSA-N 1 0 383.492 3.633 10 0 GHAERO CC[N@@H+]1CCC[C@@H](CN(C)Cc2nc3cc(F)ccc3o2)[C@@H]1c1cnn(C)c1 ZINC000328630992 839996569 /nfs/dbraw/zinc/99/65/69/839996569.db2.gz KAIONXRVYIEYNX-YCRPNKLZSA-N 1 0 385.487 3.605 10 0 GHAERO C[C@H](Sc1ccc(F)c(F)c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000105678349 841755429 /nfs/dbraw/zinc/75/54/29/841755429.db2.gz VEGCBTQWSGRKOV-HOCLYGCPSA-N 1 0 376.472 3.836 10 0 GHAERO Cc1ccc(N2CCC([NH2+][C@H](C)c3ccc(N4CCOC4=O)cc3)CC2)nc1 ZINC000163463186 842995153 /nfs/dbraw/zinc/99/51/53/842995153.db2.gz FAUWOEMHNHYETN-QGZVFWFLSA-N 1 0 380.492 3.666 10 0 GHAERO COc1ccc([C@H](C)[NH2+]C2CCN(c3ccc(C)cn3)CC2)cc1NC(C)=O ZINC000163515833 843002228 /nfs/dbraw/zinc/00/22/28/843002228.db2.gz KZILVJKYWNACCC-INIZCTEOSA-N 1 0 382.508 3.677 10 0 GHAERO Cc1cccc2[nH]c(CCC(=O)NC3CC[NH+]([C@@H](C)c4ccncc4)CC3)nc21 ZINC000155693430 849603768 /nfs/dbraw/zinc/60/37/68/849603768.db2.gz IVZLVBHPYCDJOA-KRWDZBQOSA-N 1 0 391.519 3.541 10 0 GHAERO Cc1[nH+]c2c(Cl)cccc2c(N2CCC[C@H](N3CCCS3(=O)=O)C2)c1C ZINC000329690780 862091223 /nfs/dbraw/zinc/09/12/23/862091223.db2.gz GNDCDDDLUPHUJB-HNNXBMFYSA-N 1 0 393.940 3.509 10 0 GHAERO C[C@H](NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(F)c(Cl)c1 ZINC000246713859 850721377 /nfs/dbraw/zinc/72/13/77/850721377.db2.gz FKXDDDAJCPJMOO-FASAQXTFSA-N 1 0 397.922 3.607 10 0 GHAERO COc1ccc(-c2nc(C[N@@H+]3CC[C@]4(O)CCCC[C@H]4C3)cs2)cc1OC ZINC000246730130 852542759 /nfs/dbraw/zinc/54/27/59/852542759.db2.gz GDOYSBNQSAVVFQ-HRAATJIYSA-N 1 0 388.533 3.954 10 0 GHAERO Cc1cc([C@@H]2CCCN(c3ccnc(N[C@@H]4CCCO[C@@H]4C(C)C)n3)C2)n[nH]1 ZINC000328786070 854556289 /nfs/dbraw/zinc/55/62/89/854556289.db2.gz JACWGZKUGFRMLY-MBOZVWFJSA-N 1 0 384.528 3.508 10 0 GHAERO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@H]2CCCc3c(Cl)cccc32)CC(=O)N1C ZINC000330162057 862625758 /nfs/dbraw/zinc/62/57/58/862625758.db2.gz ABHJUWSEHJHQOJ-WAOWUJCRSA-N 1 0 386.927 3.629 10 0 GHAERO O=C(CC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)Nc1ccc(Br)cc1F ZINC000248201141 864896330 /nfs/dbraw/zinc/89/63/30/864896330.db2.gz YSZJQCWQVULBFJ-UGSOOPFHSA-N 1 0 399.304 3.544 10 0 GHAERO COCc1cc(N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)nc(C(C)(C)C)n1 ZINC000301775779 865532237 /nfs/dbraw/zinc/53/22/37/865532237.db2.gz GMNLXYIDJRHEFR-VQIMIIECSA-N 1 0 383.540 3.638 10 0 GHAERO Cc1cnn([C@H]2CCCN(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+]3CCCC3)C2)c1 ZINC000111845651 866709529 /nfs/dbraw/zinc/70/95/29/866709529.db2.gz ZYCQMUAZTNHQJH-VXKWHMMOSA-N 1 0 395.551 3.684 10 0 GHAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000113230423 866753153 /nfs/dbraw/zinc/75/31/53/866753153.db2.gz QJOOJENKZRNEGC-OXJNMPFZSA-N 1 0 378.476 3.639 10 0 GHAERO CSc1ccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000172179782 882175962 /nfs/dbraw/zinc/17/59/62/882175962.db2.gz GISIRZCLUHCKSM-UZLBHIALSA-N 1 0 384.549 3.513 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)COc1cccc2ccccc21 ZINC000172013234 882182719 /nfs/dbraw/zinc/18/27/19/882182719.db2.gz PDGODOJHFXTMMO-GCJKJVERSA-N 1 0 389.499 3.640 10 0 GHAERO O=C(CN1CCC[N@@H+](C2CC2)CC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000172348135 882185091 /nfs/dbraw/zinc/18/50/91/882185091.db2.gz INXVHJLWWUKVHT-UHFFFAOYSA-N 1 0 376.715 3.755 10 0 GHAERO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCC[N@@H+](C2CC2)CC1 ZINC000172347492 882185857 /nfs/dbraw/zinc/18/58/57/882185857.db2.gz DHRVHDWRSVTTBW-GFCCVEGCSA-N 1 0 389.849 3.856 10 0 GHAERO O=C(CN1CC[C@@H](C[NH+]2CCCC2)C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000172646321 882282416 /nfs/dbraw/zinc/28/24/16/882282416.db2.gz YMVBWVOXERUVDD-ZDUSSCGKSA-N 1 0 389.849 3.715 10 0 GHAERO CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccnc2)c1 ZINC000172768895 882307649 /nfs/dbraw/zinc/30/76/49/882307649.db2.gz WOGIQHYMQBNWQW-OAQYLSRUSA-N 1 0 394.519 3.557 10 0 GHAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCS(=O)(=O)c3ccccc32)CCN1Cc1ccccc1 ZINC000248553621 870487187 /nfs/dbraw/zinc/48/71/87/870487187.db2.gz JOILUNVVQQYQND-QFUCXCTJSA-N 1 0 384.545 3.548 10 0 GHAERO O=C(/C=C/c1cnc2ccccc2n1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103097066 871271580 /nfs/dbraw/zinc/27/15/80/871271580.db2.gz FCBKJHATQPVATA-TZZQJPOUSA-N 1 0 378.520 3.758 10 0 GHAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)[C@H]3C[C@@H]3c3ccc4ccccc4c3)C2)CC1 ZINC000175994791 882653842 /nfs/dbraw/zinc/65/38/42/882653842.db2.gz QKDTXRYAZPPNBV-SMIHKQSGSA-N 1 0 391.559 3.572 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc(Cl)cc1F ZINC000116475847 873513410 /nfs/dbraw/zinc/51/34/10/873513410.db2.gz CTMSMDUKGRDGJB-GUYCJALGSA-N 1 0 376.863 3.906 10 0 GHAERO Cc1ccc2nc(C3CC3)cc(C(=O)N3CCC([N@H+]4CCO[C@@H](C)C4)CC3)c2c1 ZINC000176796108 882734028 /nfs/dbraw/zinc/73/40/28/882734028.db2.gz RCVCWSGPCAHZPL-KRWDZBQOSA-N 1 0 393.531 3.746 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)CCCc3ccc4ccccc4c3)CC2)CCO1 ZINC000180569843 883081088 /nfs/dbraw/zinc/08/10/88/883081088.db2.gz LYFGAVRMXLMREF-IBGZPJMESA-N 1 0 380.532 3.874 10 0 GHAERO COCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(Br)c(C)c1 ZINC000180774799 883098745 /nfs/dbraw/zinc/09/87/45/883098745.db2.gz YWJHZAQWDQBOAY-DOMZBBRYSA-N 1 0 379.302 3.681 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(F)c(Cl)cc1F ZINC000122180151 878417520 /nfs/dbraw/zinc/41/75/20/878417520.db2.gz SHTZUFPJURBSJI-SGTLLEGYSA-N 1 0 379.838 3.654 10 0 GHAERO O=C(C1CC[NH+]([C@@H]2Cc3ccccc3[C@H]2O)CC1)N(Cc1ccccc1)C1CC1 ZINC000182924670 883250683 /nfs/dbraw/zinc/25/06/83/883250683.db2.gz RVYQRHZJQARXIB-DNQXCXABSA-N 1 0 390.527 3.548 10 0 GHAERO COC(=O)c1ccc(Cl)c(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1C ZINC000184039491 883302529 /nfs/dbraw/zinc/30/25/29/883302529.db2.gz DKNGVZRIBRVZSJ-AWEZNQCLSA-N 1 0 379.888 3.527 10 0 GHAERO CC(=O)N1CC[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)c2ccc(F)cc2C1 ZINC000185352715 883439631 /nfs/dbraw/zinc/43/96/31/883439631.db2.gz KLHNEURYZZZZHA-HSZRJFAPSA-N 1 0 392.478 3.654 10 0 GHAERO Cc1ccc(-c2nc(CC[NH2+][C@H]3CCS(=O)(=O)c4ccccc43)co2)cc1 ZINC000186161847 883616021 /nfs/dbraw/zinc/61/60/21/883616021.db2.gz NVZCLAZLQAICSU-IBGZPJMESA-N 1 0 382.485 3.701 10 0 GHAERO C[NH+]1CCC(Oc2ccc(N[C@H](c3ncc[nH]3)c3ccc(F)cc3)cn2)CC1 ZINC000188369473 883836501 /nfs/dbraw/zinc/83/65/01/883836501.db2.gz XUVIBCZANFOVCQ-FQEVSTJZSA-N 1 0 381.455 3.618 10 0 GHAERO Cc1ccc(N2CCC([NH2+]C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC2)nc1 ZINC000191101034 884154753 /nfs/dbraw/zinc/15/47/53/884154753.db2.gz QIMMNDNMMXPMGU-QFIPXVFZSA-N 1 0 388.556 3.596 10 0 GHAERO CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000106164286 886027264 /nfs/dbraw/zinc/02/72/64/886027264.db2.gz JYFHVCWGEFIOSW-KRWDZBQOSA-N 1 0 382.552 3.827 10 0 GHAERO O=C(NCCCC[NH+]1CCCC1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000112439783 886262568 /nfs/dbraw/zinc/26/25/68/886262568.db2.gz ZHUWXYHXKWLFNW-IBGZPJMESA-N 1 0 397.523 3.849 10 0 GHAERO Cc1ccc(C[C@@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)c2ccccn2)cc1 ZINC000115849915 886350439 /nfs/dbraw/zinc/35/04/39/886350439.db2.gz BBTYEXITPHDRAP-HSZRJFAPSA-N 1 0 392.547 3.944 10 0 GHAERO C[NH+]1CCC(CNC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)CC1 ZINC000105277098 888290785 /nfs/dbraw/zinc/29/07/85/888290785.db2.gz OTJYZGYCMVCWDV-UHFFFAOYSA-N 1 0 384.446 3.769 10 0 GHAERO C[C@@H](c1nc2ccccc2n1C(F)F)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000245429356 888750747 /nfs/dbraw/zinc/75/07/47/888750747.db2.gz NBTVUKKUKJNSRC-DLBZAZTESA-N 1 0 391.510 3.594 10 0 GHAERO Cc1ccc(-c2ncc(C[N@H+]3CCC[C@H]([C@@H](O)c4nccn4C)C3)s2)cc1 ZINC000245698254 889266436 /nfs/dbraw/zinc/26/64/36/889266436.db2.gz BGNOYCWLMFUJCJ-PKOBYXMFSA-N 1 0 382.533 3.798 10 0 GHAERO Cc1cc(CN(C)C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)no1 ZINC000245706021 889335962 /nfs/dbraw/zinc/33/59/62/889335962.db2.gz OFWBHYYGMJDNRB-KSSFIOAISA-N 1 0 394.878 3.610 10 0 GHAERO CC[C@H](Cc1ccccc1)N(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246198537 890669601 /nfs/dbraw/zinc/66/96/01/890669601.db2.gz MUUDSDDULFLKCT-PTUXOGIPSA-N 1 0 394.563 3.955 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(Cc3cccc(C(=O)Nc4ccccc4)c3)CC2)CCO1 ZINC000066561485 891124252 /nfs/dbraw/zinc/12/42/52/891124252.db2.gz QVYIXZKEWPFACM-LJQANCHMSA-N 1 0 393.531 3.624 10 0 GHAERO CCc1noc(CC)c1CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246463731 891266702 /nfs/dbraw/zinc/26/67/02/891266702.db2.gz ZDDIIFNMUWULFV-HKUYNNGSSA-N 1 0 398.551 3.994 10 0 GHAERO C[C@H](O)c1ccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000246517875 891282901 /nfs/dbraw/zinc/28/29/01/891282901.db2.gz OJFUIMFOBGNTBE-FGSXEWAUSA-N 1 0 381.520 3.592 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000246678867 891297921 /nfs/dbraw/zinc/29/79/21/891297921.db2.gz QIKDXMGNNBRJQM-IIBYNOLFSA-N 1 0 392.503 3.633 10 0 GHAERO C[C@H](c1ccncc1)N(C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000246786989 891307443 /nfs/dbraw/zinc/30/74/43/891307443.db2.gz QJTHAYQXTWIHAE-XLIONFOSSA-N 1 0 395.503 3.599 10 0 GHAERO C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc(F)cc1F ZINC000246803699 891308936 /nfs/dbraw/zinc/30/89/36/891308936.db2.gz BDUUBNDCLURSGM-QEEYODRMSA-N 1 0 388.462 3.631 10 0 GHAERO CCOc1ccc(OC)cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246880844 891318642 /nfs/dbraw/zinc/31/86/42/891318642.db2.gz FZOUOLCMAKUOLD-VQIMIIECSA-N 1 0 398.507 3.521 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000246919790 891323500 /nfs/dbraw/zinc/32/35/00/891323500.db2.gz HUMJPAQTEZNMEX-CBZIJGRNSA-N 1 0 398.473 3.712 10 0 GHAERO COc1ccc(Cl)c(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000246937533 891324451 /nfs/dbraw/zinc/32/44/51/891324451.db2.gz IPEQVCYNTDAHGR-RDTXWAMCSA-N 1 0 388.899 3.776 10 0 GHAERO O[C@H](C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1)c1ccccc1C(F)(F)F ZINC000246998757 891329973 /nfs/dbraw/zinc/32/99/73/891329973.db2.gz IKZUNXFPRAWBIO-RHSMWYFYSA-N 1 0 390.409 3.661 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)C1(c2cccc(F)c2)CCC1 ZINC000247309932 891364932 /nfs/dbraw/zinc/36/49/32/891364932.db2.gz VVEBXVJECJZLPL-DYESRHJHSA-N 1 0 381.495 3.669 10 0 GHAERO CC(C)Cn1ncc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1C(F)F ZINC000248049254 891407666 /nfs/dbraw/zinc/40/76/66/891407666.db2.gz NPQZDUBMAPBSRL-IRXDYDNUSA-N 1 0 376.451 3.652 10 0 GHAERO Cc1oc(-c2ccsc2)nc1CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000248136098 891412407 /nfs/dbraw/zinc/41/24/07/891412407.db2.gz XMVWLVZARNUZKI-PXNSSMCTSA-N 1 0 381.501 3.816 10 0 GHAERO Cc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(-c2ccccc2)o1 ZINC000248423176 891434731 /nfs/dbraw/zinc/43/47/31/891434731.db2.gz DOUUJNJUXMDZKO-UZLBHIALSA-N 1 0 390.487 3.685 10 0 GHAERO O=C1O[C@@H](C[N@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)CC12CCC2 ZINC000248812053 891471768 /nfs/dbraw/zinc/47/17/68/891471768.db2.gz CUPYIWGOGVWHSC-DOTOQJQBSA-N 1 0 385.439 3.541 10 0 GHAERO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H](c3cccs3)c3ncc[nH]3)C2)c1 ZINC000248833296 891473191 /nfs/dbraw/zinc/47/31/91/891473191.db2.gz FYQWBWHOTYNISD-FOIQADDNSA-N 1 0 398.532 3.694 10 0 GHAERO CCOCCC[N@@H+]1CC[C@@H](NCc2ncc(-c3ccccc3F)o2)[C@@H](C)C1 ZINC000249391897 891504949 /nfs/dbraw/zinc/50/49/49/891504949.db2.gz RYJFGQHRGHOSSO-QFBILLFUSA-N 1 0 375.488 3.707 10 0 GHAERO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2F)CC1 ZINC000333200145 900031674 /nfs/dbraw/zinc/03/16/74/900031674.db2.gz XMDYMPBMUGBILC-ZBFHGGJFSA-N 1 0 389.393 3.595 10 0 GHAERO CN1C(=O)C[C@@H](C[NH2+][C@H]2CCC23CCCC3)[C@@H]1c1cnn(-c2ccc(F)cc2)c1 ZINC000333453665 902102069 /nfs/dbraw/zinc/10/20/69/902102069.db2.gz MGWZGIOBINSNGN-XUEUYAKLSA-N 1 0 396.510 3.843 10 0 GHAERO c1cncc(-c2nc3sc4c(c3c(N3CC[C@H]5CC[C@@H](C3)[NH2+]5)n2)CCC4)c1 ZINC000333549997 902182412 /nfs/dbraw/zinc/18/24/12/902182412.db2.gz PDFBWGIBSKJBRB-CABCVRRESA-N 1 0 377.517 3.573 10 0 GHAERO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2ccnc3cc(Br)ccc32)CC1 ZINC000333693572 902274723 /nfs/dbraw/zinc/27/47/23/902274723.db2.gz PYKJKZGXMFRIJC-VQIMIIECSA-N 1 0 390.325 3.720 10 0 GHAERO Cc1cc(Br)c(-c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)s1 ZINC000333760336 902315448 /nfs/dbraw/zinc/31/54/48/902315448.db2.gz COCJUKOQGSISLU-IAQYHMDHSA-N 1 0 384.299 3.795 10 0 GHAERO O=C(N[C@H](c1cc2ccccc2o1)c1cccnc1)C1CC[NH+](C2CC2)CC1 ZINC000365503778 920876038 /nfs/dbraw/zinc/87/60/38/920876038.db2.gz ABYQVVUKTZLSIX-QFIPXVFZSA-N 1 0 375.472 3.908 10 0 GHAERO C[N@H+]1[C@@H]2CC[C@H]1CC(NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)C2 ZINC000004321619 204038004 /nfs/dbraw/zinc/03/80/04/204038004.db2.gz KWUDBXYHMNFFKY-PBINXNQUSA-N 1 0 383.728 3.550 10 0 GHAERO CC(C)C[C@H](C[NH2+][C@@H](C)c1ccc(Br)s1)N1CCOCC1 ZINC000038002018 204777614 /nfs/dbraw/zinc/77/76/14/204777614.db2.gz FOJBKDQMABIDHV-UONOGXRCSA-N 1 0 375.376 3.908 10 0 GHAERO Cc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COC(C)(C)C)s1 ZINC000036101376 205005961 /nfs/dbraw/zinc/00/59/61/205005961.db2.gz ZOQQKDVERRNVGL-KRWDZBQOSA-N 1 0 391.533 3.963 10 0 GHAERO CCCC[C@H](O)C[NH+]1CCN(c2nc(C)nc(C)c2Cc2ccc(C)cc2)CC1 ZINC000036340516 205011748 /nfs/dbraw/zinc/01/17/48/205011748.db2.gz IZKIRTPJWBCUQO-QFIPXVFZSA-N 1 0 396.579 3.666 10 0 GHAERO Fc1ccc(-c2cc3c(N4CCC([NH+]5CCCCC5)CC4)nccn3n2)cc1 ZINC000067284954 205244534 /nfs/dbraw/zinc/24/45/34/205244534.db2.gz DIYSPDIZWFNAFG-UHFFFAOYSA-N 1 0 379.483 3.990 10 0 GHAERO O=C(NC1CC1)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1CC1CCCCC1 ZINC000012122014 221153984 /nfs/dbraw/zinc/15/39/84/221153984.db2.gz QINDYGBVCRJBJU-XLIONFOSSA-N 1 0 398.576 3.957 10 0 GHAERO C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@]12Cc1c(c3c(cc1O)C(=[NH2+])NC3)O2 ZINC000252516944 560040787 /nfs/dbraw/zinc/04/07/87/560040787.db2.gz YFEDMPPDOYSQSZ-HYGHBVGOSA-N 1 0 384.520 3.728 10 0 GHAERO Cc1ccc(-c2ccc(C[NH2+]CCCSc3nnnn3C)o2)cc1Cl ZINC000020876657 570283326 /nfs/dbraw/zinc/28/33/26/570283326.db2.gz FGRSHJMKQZOSCQ-UHFFFAOYSA-N 1 0 377.901 3.704 10 0 GHAERO C[C@H](C[NH+]1CCOCC1)C(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1 ZINC000029402224 570473298 /nfs/dbraw/zinc/47/32/98/570473298.db2.gz INUNXTSAACVKJS-OAQYLSRUSA-N 1 0 392.543 3.563 10 0 in-man GHAERO COc1cccc(N2CC[C@H](C[NH2+][C@H](C)c3cnn(-c4ccccn4)c3C)C2)c1 ZINC000157492225 834947341 /nfs/dbraw/zinc/94/73/41/834947341.db2.gz LEKOFXDQFAOXIX-IEBWSBKVSA-N 1 0 391.519 3.761 10 0 GHAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000329613658 835390836 /nfs/dbraw/zinc/39/08/36/835390836.db2.gz CTVIUHSWDSUGBN-KKSFZXQISA-N 1 0 395.478 3.777 10 0 GHAERO C[C@H]1C[NH+](CC2CCN(C(=O)Nc3ncc(C(C)(C)C)s3)CC2)C[C@H](C)O1 ZINC000408413528 844172362 /nfs/dbraw/zinc/17/23/62/844172362.db2.gz DDASNNFZAWQPJD-GJZGRUSLSA-N 1 0 394.585 3.794 10 0 GHAERO Cc1cc([C@H]2CCCN(C(=O)NC[C@H]3CCCC[N@@H+]3Cc3ccccc3)C2)[nH]n1 ZINC000332743423 836531177 /nfs/dbraw/zinc/53/11/77/836531177.db2.gz ORIBHZQLZVYCFC-LEWJYISDSA-N 1 0 395.551 3.662 10 0 GHAERO CC(=O)Nc1ccc(F)c(NC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c1 ZINC000115753718 838739419 /nfs/dbraw/zinc/73/94/19/838739419.db2.gz AQECQOHUNNVABE-UHFFFAOYSA-N 1 0 376.476 3.512 10 0 GHAERO Cc1cc([C@H]2CCCN(C(=O)[C@]34CCC[C@@H]3C[N@H+](Cc3ccccc3)C4)C2)[nH]n1 ZINC000328707917 839065898 /nfs/dbraw/zinc/06/58/98/839065898.db2.gz ZSDBZYICRLGATM-IMSXRSKXSA-N 1 0 392.547 3.726 10 0 GHAERO Cc1cc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000329384576 861358470 /nfs/dbraw/zinc/35/84/70/861358470.db2.gz RRUWHPXPIZYTEY-MRXNPFEDSA-N 1 0 393.413 3.511 10 0 GHAERO COCCOc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc(C)cn3)CC2)cc1OC ZINC000163488600 843005730 /nfs/dbraw/zinc/00/57/30/843005730.db2.gz BLYUGDQPGLKACE-GOSISDBHSA-N 1 0 399.535 3.743 10 0 GHAERO COc1ccccc1[C@H](CNC(=O)/C=C\c1ncccc1C)[NH+]1CCCCC1 ZINC000588454949 843350410 /nfs/dbraw/zinc/35/04/10/843350410.db2.gz RZUGHZIYBDWQDJ-SQZREULQSA-N 1 0 379.504 3.755 10 0 GHAERO Cc1cc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)ccc1Br ZINC000329615607 861778699 /nfs/dbraw/zinc/77/86/99/861778699.db2.gz SFSBPHCLJJLGMY-YOEHRIQHSA-N 1 0 378.270 3.733 10 0 GHAERO Cc1cccc([C@@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)c2ccccn2)c1 ZINC000152713070 847647585 /nfs/dbraw/zinc/64/75/85/847647585.db2.gz SVHVSNWSJSEVKW-JOCHJYFZSA-N 1 0 378.520 3.749 10 0 GHAERO FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3ncccn3)CC1)CC2 ZINC000155939606 849705259 /nfs/dbraw/zinc/70/52/59/849705259.db2.gz QHUSAXZEAZLTKX-QGZVFWFLSA-N 1 0 378.398 3.621 10 0 GHAERO O=C(c1ccc(C[NH+]2CCC(CO)CC2)cc1)N1CC=C(c2cccs2)CC1 ZINC000164825681 853873391 /nfs/dbraw/zinc/87/33/91/853873391.db2.gz ATDYFYDPVIMBQW-UHFFFAOYSA-N 1 0 396.556 3.882 10 0 GHAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)c2cccc(Br)c2)C1 ZINC000102343029 854341135 /nfs/dbraw/zinc/34/11/35/854341135.db2.gz AEMTWJRCKDNXHT-OAHLLOKOSA-N 1 0 381.358 3.963 10 0 GHAERO Cc1c([C@H]2[C@H](C[NH2+][C@@H](c3cccs3)C3CCCC3)CC(=O)N2C)cnn1C ZINC000330272085 862711480 /nfs/dbraw/zinc/71/14/80/862711480.db2.gz XBQNMPSNEIMTGG-ZLGUVYLKSA-N 1 0 386.565 3.831 10 0 GHAERO Cc1ccc(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)cc1C(=O)N(C)C(C)C 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XPPWFQFAPLRQDC-QZTJIDSGSA-N 1 0 397.475 3.692 10 0 GHAERO C[NH+](C)[C@H](CNC(=O)N[C@H](c1ccccc1)c1ccncc1)C1CCCCC1 ZINC000103246296 863923875 /nfs/dbraw/zinc/92/38/75/863923875.db2.gz PCSURKVZODWIDS-FGZHOGPDSA-N 1 0 380.536 3.981 10 0 GHAERO C[C@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1cccc(-n2ccnc2)c1 ZINC000173456943 865652502 /nfs/dbraw/zinc/65/25/02/865652502.db2.gz MUMSSQOAFSDJLX-SFHVURJKSA-N 1 0 381.524 3.593 10 0 GHAERO Cc1nc(-c2ccc(N3CCC[C@H]([NH+]4CCCCCC4)C3)nc2)[nH]c(=O)c1C ZINC000301993315 865655164 /nfs/dbraw/zinc/65/51/64/865655164.db2.gz RDUDTGCCOVFBTJ-IBGZPJMESA-N 1 0 381.524 3.706 10 0 GHAERO C[C@H](CC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)c1ccccc1C(F)(F)F ZINC000172913505 882322886 /nfs/dbraw/zinc/32/28/86/882322886.db2.gz ALKNCHRNNXXXST-HZPDHXFCSA-N 1 0 398.469 3.911 10 0 GHAERO CCCn1ccc2ccc(NC(=O)N3CCC([N@@H+]4CCO[C@@H](C)C4)CC3)cc21 ZINC000173468448 882363455 /nfs/dbraw/zinc/36/34/55/882363455.db2.gz WVVSBCDHJVFZGU-KRWDZBQOSA-N 1 0 384.524 3.768 10 0 GHAERO CCCOc1ccc(CCC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000173516920 882375081 /nfs/dbraw/zinc/37/50/81/882375081.db2.gz HQXWIPGXBQQRJD-CVDCTZTESA-N 1 0 395.547 3.830 10 0 GHAERO O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000104987161 870608508 /nfs/dbraw/zinc/60/85/08/870608508.db2.gz KTKNJSUGPSIYHC-HNNXBMFYSA-N 1 0 393.413 3.593 10 0 GHAERO C[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)Cc1cccs1 ZINC000175016332 882515879 /nfs/dbraw/zinc/51/58/79/882515879.db2.gz YRARUINNQHFOGB-ZWOKBUDYSA-N 1 0 386.565 3.532 10 0 GHAERO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cc2ccccc2o1 ZINC000176408648 882691338 /nfs/dbraw/zinc/69/13/38/882691338.db2.gz CNIVDKKWUOYOSR-UWVAXJGDSA-N 1 0 377.488 3.958 10 0 GHAERO CC(C)COc1ccc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000116242663 873365989 /nfs/dbraw/zinc/36/59/89/873365989.db2.gz DCSNIVLWTLQURW-XXBNENTESA-N 1 0 395.547 3.686 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc2c(c1)OC(C)(C)O2 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WFJBRHBXNCVQBL-HSZRJFAPSA-N 1 0 381.495 3.878 10 0 GHAERO CC(=O)N1CC[C@@H]([NH2+][C@H](C)CCc2ccc3c(c2)OCO3)c2ccc(F)cc2C1 ZINC000184517567 883351676 /nfs/dbraw/zinc/35/16/76/883351676.db2.gz SYEHALDZTQLGRH-QVKFZJNVSA-N 1 0 398.478 3.959 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)c2ccc(F)cc2C1 ZINC000184529569 883353380 /nfs/dbraw/zinc/35/33/80/883353380.db2.gz MUYPOTIUDOADRR-QKKBWIMNSA-N 1 0 395.482 3.629 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCc1ccc(C(F)F)cc1 ZINC000185539230 883552992 /nfs/dbraw/zinc/55/29/92/883552992.db2.gz NVBVVVSVAQMAEL-KXBFYZLASA-N 1 0 388.462 3.729 10 0 GHAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1)[C@@H]1COc2ccccc21 ZINC000185551635 883555058 /nfs/dbraw/zinc/55/50/58/883555058.db2.gz MUMFWFRWIHTGPG-WWMYMODYSA-N 1 0 379.504 3.768 10 0 GHAERO Cc1nc([C@@H]2CCCN2C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cs1 ZINC000187136378 883750223 /nfs/dbraw/zinc/75/02/23/883750223.db2.gz HZBMAPKEKKQJQH-QSFXBCCZSA-N 1 0 399.564 3.604 10 0 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887060494 /nfs/dbraw/zinc/06/04/94/887060494.db2.gz DIRLTKDNEZCIEW-FNQPIQQGSA-N 1 0 395.478 3.971 10 0 GHAERO O=C(Nc1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)cc1)c1ccco1 ZINC000047399196 887313528 /nfs/dbraw/zinc/31/35/28/887313528.db2.gz QLNPCDRJZOBXQD-UHFFFAOYSA-N 1 0 382.464 3.624 10 0 GHAERO C[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C[C@@H](C)O1 ZINC000051764131 887782140 /nfs/dbraw/zinc/78/21/40/887782140.db2.gz CXXURDVBDIBRBU-HUUCEWRRSA-N 1 0 384.442 3.553 10 0 GHAERO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1CCCc2cccnc21 ZINC000194184675 888563253 /nfs/dbraw/zinc/56/32/53/888563253.db2.gz SHOIQXSXKVRDGX-LJQANCHMSA-N 1 0 381.545 3.997 10 0 GHAERO CCCCOc1cc(C[N@@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)ccc1OC ZINC000245736471 889569492 /nfs/dbraw/zinc/56/94/92/889569492.db2.gz FRMNFNBJHBIHBZ-WIYYLYMNSA-N 1 0 387.524 3.553 10 0 GHAERO COc1cccc(/C(C)=C/C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000246344578 891045095 /nfs/dbraw/zinc/04/50/95/891045095.db2.gz FOFWUXNZBIICOR-KRVUPIIZSA-N 1 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C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000248725088 891461374 /nfs/dbraw/zinc/46/13/74/891461374.db2.gz MYPKZODXDDIWNV-LAUBAEHRSA-N 1 0 381.520 3.727 10 0 GHAERO COc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(OC(C)C)c1 ZINC000248864693 891476869 /nfs/dbraw/zinc/47/68/69/891476869.db2.gz BSHUIEAETYNOND-LAUBAEHRSA-N 1 0 397.519 3.518 10 0 GHAERO Cc1cnccc1CC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249109769 891495291 /nfs/dbraw/zinc/49/52/91/891495291.db2.gz AQWQLKGMKZLBFP-JXFKEZNVSA-N 1 0 375.875 3.534 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)C1(Cc2ccccc2F)CC1 ZINC000249139649 891498501 /nfs/dbraw/zinc/49/85/01/891498501.db2.gz XNMXBGJIUZWRJO-DYESRHJHSA-N 1 0 381.495 3.570 10 0 GHAERO CC[C@@H](NC(=O)Nc1ccccc1N1CC[NH+](CC)CC1)c1nc(C)cs1 ZINC000104774903 898161972 /nfs/dbraw/zinc/16/19/72/898161972.db2.gz CNWLWMWXBBVVBA-MRXNPFEDSA-N 1 0 387.553 3.866 10 0 GHAERO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2F)CC1 ZINC000333200143 900031310 /nfs/dbraw/zinc/03/13/10/900031310.db2.gz XMDYMPBMUGBILC-GOEBONIOSA-N 1 0 389.393 3.595 10 0 GHAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3nnc(-c4cc(Br)ccc4F)s3)C[C@@H]21 ZINC000333508787 902145227 /nfs/dbraw/zinc/14/52/27/902145227.db2.gz ITKIOHKWBGJWIM-LJWDBELGSA-N 1 0 397.317 3.670 10 0 GHAERO [NH3+][C@H]1CCCO[C@H]1C1CCN(c2ccnc3cc(Br)ccc32)CC1 ZINC000333693569 902274577 /nfs/dbraw/zinc/27/45/77/902274577.db2.gz PYKJKZGXMFRIJC-LPHOPBHVSA-N 1 0 390.325 3.720 10 0 GHAERO COc1ccc(-c2nsc3c2ncnc3N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000005703068 204147434 /nfs/dbraw/zinc/14/74/34/204147434.db2.gz IVOBUSNWCLGAJB-UHFFFAOYSA-N 1 0 395.532 3.827 10 0 GHAERO COc1ccc([C@H](CNC(=O)Cc2c(C)nc3ccccc3c2C)[NH+](C)C)cc1 ZINC000009378943 204309918 /nfs/dbraw/zinc/30/99/18/204309918.db2.gz QRKBOSOMAAEWRD-QHCPKHFHSA-N 1 0 391.515 3.822 10 0 GHAERO CCCC[C@@H](O)C[NH+]1CCN(c2nc(C)nc(C)c2Cc2ccc(C)cc2)CC1 ZINC000036340517 205011719 /nfs/dbraw/zinc/01/17/19/205011719.db2.gz IZKIRTPJWBCUQO-JOCHJYFZSA-N 1 0 396.579 3.666 10 0 GHAERO COCCCNC(=O)[C@@H](C[N@H+](Cc1cccc(C)c1)C(C)C)Oc1ccccc1 ZINC000034708081 570302274 /nfs/dbraw/zinc/30/22/74/570302274.db2.gz ACERADFLOWLNHJ-HSZRJFAPSA-N 1 0 398.547 3.806 10 0 GHAERO Cc1nonc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000023231544 570989706 /nfs/dbraw/zinc/98/97/06/570989706.db2.gz LIXASQRMLJSOEC-QFIPXVFZSA-N 1 0 382.508 3.630 10 0 GHAERO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)c12 ZINC000113231494 837822487 /nfs/dbraw/zinc/82/24/87/837822487.db2.gz LOMHDHQWBBMXRL-DOTOQJQBSA-N 1 0 397.567 3.927 10 0 GHAERO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc(Cl)c3C)C2)n1 ZINC000246927024 835135593 /nfs/dbraw/zinc/13/55/93/835135593.db2.gz APZYHZSDMLNNDY-WMLDXEAASA-N 1 0 389.931 3.596 10 0 GHAERO Cc1cc(N2CCC[C@@H]([NH2+][C@H]3CCSc4cc(C)c(C)cc43)C2=O)n(C)n1 ZINC000187464325 835417393 /nfs/dbraw/zinc/41/73/93/835417393.db2.gz VUSULIGGIMVSRZ-ZWKOTPCHSA-N 1 0 384.549 3.667 10 0 GHAERO Cc1cc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)cc(Cl)c1Br ZINC000329628457 835457260 /nfs/dbraw/zinc/45/72/60/835457260.db2.gz VVQAZBISWKWBOW-YPMHNXCESA-N 1 0 398.688 3.997 10 0 GHAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000247779499 835809356 /nfs/dbraw/zinc/80/93/56/835809356.db2.gz RNKLRUYAVVYXFJ-OXQOHEQNSA-N 1 0 377.492 3.749 10 0 GHAERO C[C@@H]1C[NH+](CC2CCN(C(=O)Nc3ncc(C(C)(C)C)s3)CC2)C[C@@H](C)O1 ZINC000408413531 844172333 /nfs/dbraw/zinc/17/23/33/844172333.db2.gz DDASNNFZAWQPJD-HUUCEWRRSA-N 1 0 394.585 3.794 10 0 GHAERO CCOCCOc1ccc(Cl)cc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000102956030 837248794 /nfs/dbraw/zinc/24/87/94/837248794.db2.gz KTGAZHMJUZSUGP-UHFFFAOYSA-N 1 0 395.931 3.847 10 0 GHAERO CCC(CC)NC(=O)N(C)C1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1 ZINC000103296734 837298560 /nfs/dbraw/zinc/29/85/60/837298560.db2.gz AZJWXICYWWWRTJ-UHFFFAOYSA-N 1 0 376.545 3.501 10 0 GHAERO O=C(NC1CCN(c2ccccn2)CC1)N(Cc1ccc(F)cc1F)C1CC1 ZINC000103306661 837300688 /nfs/dbraw/zinc/30/06/88/837300688.db2.gz DMFDBLSLRFJBQP-UHFFFAOYSA-N 1 0 386.446 3.703 10 0 GHAERO C[C@H](C(=O)N1CCCC[C@@H]1c1cn[nH]c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000113888609 838422159 /nfs/dbraw/zinc/42/21/59/838422159.db2.gz PXFCRBLRCBQIFA-XMSQKQJNSA-N 1 0 380.536 3.807 10 0 GHAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000106207521 840760093 /nfs/dbraw/zinc/76/00/93/840760093.db2.gz RNKLRUYAVVYXFJ-OXJNMPFZSA-N 1 0 377.492 3.749 10 0 GHAERO Cc1cccc(N2CCC([NH2+]CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)n1 ZINC000150780069 845016972 /nfs/dbraw/zinc/01/69/72/845016972.db2.gz HWEYXPGWSKQCIL-UHFFFAOYSA-N 1 0 388.556 3.596 10 0 GHAERO Cn1cncc1[C@@H]1C[C@H](NC(=O)NC2CC(c3cccc(Cl)c3)C2)CCO1 ZINC000333464043 845404346 /nfs/dbraw/zinc/40/43/46/845404346.db2.gz QBSPYWMTEHLEFG-BVSRCJTMSA-N 1 0 388.899 3.539 10 0 GHAERO CCCC[NH+]1CCC(NC(=O)NCCc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000102565059 845544702 /nfs/dbraw/zinc/54/47/02/845544702.db2.gz IUJYMJVVRCDCMK-UHFFFAOYSA-N 1 0 388.487 3.587 10 0 GHAERO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C1CCN(c2ncccn2)CC1 ZINC000155911804 849695121 /nfs/dbraw/zinc/69/51/21/849695121.db2.gz COIAQNGMGDVKIV-AWEZNQCLSA-N 1 0 380.521 3.623 10 0 GHAERO c1cn(CCCc2ccccc2)c(C[NH2+]C2CCN(Cc3cccnc3)CC2)n1 ZINC000164365909 851835063 /nfs/dbraw/zinc/83/50/63/851835063.db2.gz DKQULUYRSQEALK-UHFFFAOYSA-N 1 0 389.547 3.665 10 0 GHAERO C[C@@H](CNC(=O)NCCCC[NH+]1CCOCC1)c1c(Cl)cccc1Cl ZINC000101982140 852091827 /nfs/dbraw/zinc/09/18/27/852091827.db2.gz LCCVPZHPWIHGSW-AWEZNQCLSA-N 1 0 388.339 3.509 10 0 GHAERO CC(=O)N(c1nc(CN2CCC([NH+]3CCCC3)CC2)cs1)c1ccccc1 ZINC000164854370 853909836 /nfs/dbraw/zinc/90/98/36/853909836.db2.gz LFYVJNKJYXCFFK-UHFFFAOYSA-N 1 0 384.549 3.888 10 0 GHAERO C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CCC[C@H]2c2nc(C(=O)NC3CC3)no2)C1 ZINC000328607796 854481683 /nfs/dbraw/zinc/48/16/83/854481683.db2.gz LLEPXPKOLQQSOS-SPEDKVCISA-N 1 0 380.492 3.609 10 0 GHAERO CN1C(=O)C[C@@H](C[NH2+][C@H]2CCC(C)(C)C2)[C@@H]1c1cnn(-c2ccc(F)cc2)c1 ZINC000330111389 862581905 /nfs/dbraw/zinc/58/19/05/862581905.db2.gz AZUWJNYVILWOSY-UQASEVPWSA-N 1 0 384.499 3.699 10 0 GHAERO O=C(Nc1ccccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000129096729 855154250 /nfs/dbraw/zinc/15/42/50/855154250.db2.gz BQUCACKXTIBAHT-SJPCQFCGSA-N 1 0 383.879 3.605 10 0 GHAERO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000246975237 855346946 /nfs/dbraw/zinc/34/69/46/855346946.db2.gz JSGLULVOGQHMEA-WNOPAQSVSA-N 1 0 399.579 3.898 10 0 GHAERO Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000191839751 855734789 /nfs/dbraw/zinc/73/47/89/855734789.db2.gz AWTQYTUMOHDAON-RDJZCZTQSA-N 1 0 385.508 3.697 10 0 GHAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000195044892 856116174 /nfs/dbraw/zinc/11/61/74/856116174.db2.gz BKGLBNXTZCPHMY-HXUWFJFHSA-N 1 0 389.515 3.550 10 0 GHAERO O=C(NC1CC[NH+](C2CC2)CC1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113586103 858282653 /nfs/dbraw/zinc/28/26/53/858282653.db2.gz HCXZVCPPVHLIBN-SFHVURJKSA-N 1 0 393.535 3.593 10 0 GHAERO c1cncc(CN2CCC([NH2+]CCCOc3cccc4cccnc43)CC2)c1 ZINC000089627555 881370927 /nfs/dbraw/zinc/37/09/27/881370927.db2.gz YOHKGACREZYXJP-UHFFFAOYSA-N 1 0 376.504 3.653 10 0 GHAERO COc1ccccc1CC1CC[NH+](C[C@@H](O)COCc2cccs2)CC1 ZINC000102520165 860743154 /nfs/dbraw/zinc/74/31/54/860743154.db2.gz IPWBAODLNQUWDY-LJQANCHMSA-N 1 0 375.534 3.589 10 0 GHAERO Cc1cc(C(=O)CN2CCC(C[NH+]3CCCC3)CC2)c(C)n1CC(F)(F)F ZINC000103482412 864034467 /nfs/dbraw/zinc/03/44/67/864034467.db2.gz ITNTTZDKSDBZRZ-UHFFFAOYSA-N 1 0 385.474 3.658 10 0 GHAERO COc1ccccc1CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000104710086 864553262 /nfs/dbraw/zinc/55/32/62/864553262.db2.gz DDRYFJMBJCAOSQ-AWEZNQCLSA-N 1 0 378.419 3.798 10 0 GHAERO COc1cc(C[NH+]2CCC(n3cncn3)CC2)ccc1OCc1cccs1 ZINC000092648062 882410625 /nfs/dbraw/zinc/41/06/25/882410625.db2.gz ANNDSXPXQKJYQE-UHFFFAOYSA-N 1 0 384.505 3.764 10 0 GHAERO COc1cc(C[NH+]2CCC(n3cncn3)CC2)ccc1OCc1ccc(F)cc1 ZINC000092648120 882410748 /nfs/dbraw/zinc/41/07/48/882410748.db2.gz UXJUDRKDGJGOFG-UHFFFAOYSA-N 1 0 396.466 3.842 10 0 GHAERO CCc1cc(N2CCC([NH2+]Cc3cccn3Cc3cccs3)CC2)ncn1 ZINC000174936175 882508054 /nfs/dbraw/zinc/50/80/54/882508054.db2.gz RUPQDNFYCDJBSW-UHFFFAOYSA-N 1 0 381.549 3.709 10 0 GHAERO Cc1csc([C@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C2CC2)n1 ZINC000175019358 882515590 /nfs/dbraw/zinc/51/55/90/882515590.db2.gz NTLWRIJAPYFAPH-GDIGMMSISA-N 1 0 399.564 3.507 10 0 GHAERO C[C@@H](NC(=O)NCCCC[NH+]1CCCC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000175381262 882548849 /nfs/dbraw/zinc/54/88/49/882548849.db2.gz WIMUYKOKDFFFPM-CQSZACIVSA-N 1 0 391.903 3.626 10 0 GHAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)[C@@H]3C[C@@H]3c3cccc4ccccc43)C2)CC1 ZINC000175988339 882653956 /nfs/dbraw/zinc/65/39/56/882653956.db2.gz QQDLWQIZDUDQCH-AGILITTLSA-N 1 0 391.559 3.572 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cccc(OC(F)F)c1 ZINC000116484680 873514397 /nfs/dbraw/zinc/51/43/97/873514397.db2.gz OPYBTUDEHJSNEN-KDOFPFPSSA-N 1 0 390.434 3.715 10 0 GHAERO CCOc1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ccc1OC ZINC000116487204 873514630 /nfs/dbraw/zinc/51/46/30/873514630.db2.gz CUKCHMPVYCRYST-QFBILLFUSA-N 1 0 398.507 3.521 10 0 GHAERO CC(C)[N@H+](C)CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(C(F)(F)F)c1 ZINC000102763323 873568687 /nfs/dbraw/zinc/56/86/87/873568687.db2.gz YZHZJWCLKIUXAG-OKILXGFUSA-N 1 0 387.446 3.598 10 0 GHAERO COc1cccc(C[C@@H]([NH2+]Cc2cccnc2-n2cncn2)c2ccccc2)c1 ZINC000178050194 882860509 /nfs/dbraw/zinc/86/05/09/882860509.db2.gz KFKZYPHGVNJXGY-JOCHJYFZSA-N 1 0 385.471 3.745 10 0 GHAERO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1Cc2ccccc2[C@@H]1O ZINC000178355060 882906836 /nfs/dbraw/zinc/90/68/36/882906836.db2.gz PGOJPJILZMNIBF-LLSQANQASA-N 1 0 378.394 3.670 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCCc1cc2ccccc2o1 ZINC000120576365 876111624 /nfs/dbraw/zinc/11/16/24/876111624.db2.gz IYDCJIOMOZMAHF-UWJYYQICSA-N 1 0 392.503 3.580 10 0 GHAERO Cc1cc(NC(=O)C2CC[NH+](Cc3cccn3Cc3cccs3)CC2)no1 ZINC000179855237 883033098 /nfs/dbraw/zinc/03/30/98/883033098.db2.gz HTZRCVNLVXDPEC-UHFFFAOYSA-N 1 0 384.505 3.745 10 0 GHAERO COc1cc(C)ccc1OCC(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000097207587 883040402 /nfs/dbraw/zinc/04/04/02/883040402.db2.gz WDNUCINPRWBNKZ-UHFFFAOYSA-N 1 0 397.519 3.552 10 0 GHAERO Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccco2)cc1NC(=O)CC[NH+](C)C ZINC000183774510 883286648 /nfs/dbraw/zinc/28/66/48/883286648.db2.gz XETOJGZQHRNCCZ-GOSISDBHSA-N 1 0 384.480 3.847 10 0 GHAERO COc1ccccc1S(=O)(=O)CCCN1CCC(c2nc(C)cs2)CC1 ZINC000184193670 883327026 /nfs/dbraw/zinc/32/70/26/883327026.db2.gz JWUJLJGCLSAXDJ-UHFFFAOYSA-N 1 0 394.562 3.504 10 0 GHAERO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000184523564 883352325 /nfs/dbraw/zinc/35/23/25/883352325.db2.gz YTLZZRQKYKXJDL-SPLOXXLWSA-N 1 0 386.467 3.987 10 0 GHAERO CCN(CC)c1ncc(C[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)s1 ZINC000185350286 883438977 /nfs/dbraw/zinc/43/89/77/883438977.db2.gz GFKGEAOTCCDZAY-LJQANCHMSA-N 1 0 390.528 3.712 10 0 GHAERO Cc1oc2ccc(NC(=O)N3CCCC[C@H]([NH+]4CCN(C)CC4)C3)cc2c1C ZINC000186460685 883648260 /nfs/dbraw/zinc/64/82/60/883648260.db2.gz YGQVVEHVPOQWCC-IBGZPJMESA-N 1 0 384.524 3.683 10 0 GHAERO CCOc1ccccc1CCC(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186599223 883668579 /nfs/dbraw/zinc/66/85/79/883668579.db2.gz GTEDRNJOOZNXQV-OAQYLSRUSA-N 1 0 381.520 3.584 10 0 GHAERO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186664736 883685105 /nfs/dbraw/zinc/68/51/05/883685105.db2.gz LFXWBHCBHQAHKF-UHFFFAOYSA-N 1 0 395.507 3.827 10 0 GHAERO CC(C)CC[NH+]1CCC(CNC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)CC1 ZINC000186699054 883689485 /nfs/dbraw/zinc/68/94/85/883689485.db2.gz XTVFKCDLQUQVLE-UHFFFAOYSA-N 1 0 387.528 3.544 10 0 GHAERO CSc1cccc(N(C2CC[NH+](C)CC2)S(=O)(=O)c2cccs2)c1 ZINC000191969253 884222521 /nfs/dbraw/zinc/22/25/21/884222521.db2.gz OTWXGCDRTTWDTQ-UHFFFAOYSA-N 1 0 382.576 3.760 10 0 GHAERO [NH3+]C[C@H](NC(=O)c1ccc2c(c1)NC(=O)CCS2)c1ccc2ccccc2c1 ZINC000193415854 884489213 /nfs/dbraw/zinc/48/92/13/884489213.db2.gz FGFUOGPOUNIPIP-IBGZPJMESA-N 1 0 391.496 3.704 10 0 GHAERO [NH3+]C[C@H](NC(=O)CCc1nc(-c2ccsc2)no1)c1ccc2ccccc2c1 ZINC000193434861 884513036 /nfs/dbraw/zinc/51/30/36/884513036.db2.gz LCPNEXMLUZBIIY-SFHVURJKSA-N 1 0 392.484 3.700 10 0 GHAERO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CCC[C@H](c2nccs2)C1 ZINC000114819619 886328613 /nfs/dbraw/zinc/32/86/13/886328613.db2.gz QKVAXVAXEDDTOL-HOTGVXAUSA-N 1 0 390.578 3.931 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCCc1c[nH]c2ccccc12 ZINC000116252957 886357730 /nfs/dbraw/zinc/35/77/30/886357730.db2.gz HGXWIRYCSAIENX-GCJKJVERSA-N 1 0 390.531 3.912 10 0 GHAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)Nc3ccccc3-c3ccccc3)C2)CC1 ZINC000125189996 886837197 /nfs/dbraw/zinc/83/71/97/886837197.db2.gz PORYDJMWFLEOTI-NRFANRHFSA-N 1 0 392.547 3.987 10 0 GHAERO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(Cc3ccccn3)C[C@H]1C)CCCO2 ZINC000126127478 886934444 /nfs/dbraw/zinc/93/44/44/886934444.db2.gz ABEUCOFWDSIXEB-VOQZNFBZSA-N 1 0 381.520 3.804 10 0 GHAERO CCCCOc1ccc(OC)cc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000047500736 887338773 /nfs/dbraw/zinc/33/87/73/887338773.db2.gz XAJIPSKIODRUJM-UHFFFAOYSA-N 1 0 375.513 3.966 10 0 GHAERO C[NH+](C)CCOc1cccc(CNC(=O)N(Cc2ccco2)C2CCCC2)c1 ZINC000105114050 887653908 /nfs/dbraw/zinc/65/39/08/887653908.db2.gz SOKYLHLJZWXGCW-UHFFFAOYSA-N 1 0 385.508 3.874 10 0 GHAERO CCCN(CCc1ccccn1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000105149929 887719007 /nfs/dbraw/zinc/71/90/07/887719007.db2.gz HYKJJGVOERMYJV-JOCHJYFZSA-N 1 0 380.536 3.710 10 0 GHAERO CCOC(=O)Nc1ccc2c(CNc3ccc4c(c3)C[N@@H+](C)C4)cc(=O)oc2c1 ZINC000194518588 888609383 /nfs/dbraw/zinc/60/93/83/888609383.db2.gz UAQNCMOWPDFDLN-UHFFFAOYSA-N 1 0 393.443 3.919 10 0 GHAERO C[N@@H+]1CC[C@@H](CNC(=O)CCc2ccncc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245758244 889656472 /nfs/dbraw/zinc/65/64/72/889656472.db2.gz YWKCNDUGRGXVHM-OXJNMPFZSA-N 1 0 375.875 3.616 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@H]3C[C@H]3c3cccc4ccccc43)CC2)CCO1 ZINC000245943062 890053894 /nfs/dbraw/zinc/05/38/94/890053894.db2.gz VSJNIWDEKZNWCM-VSDWSMLSSA-N 1 0 378.516 3.655 10 0 GHAERO C[C@@H]1CCN(C(=O)c2csc([C@H]3CCCO3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000245961033 890085541 /nfs/dbraw/zinc/08/55/41/890085541.db2.gz XMUJBYHCFIQHRF-VQIMIIECSA-N 1 0 385.533 3.731 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)N[C@H](c3ccc(F)cc3)C3CCC3)CC2)CCO1 ZINC000246427960 891236851 /nfs/dbraw/zinc/23/68/51/891236851.db2.gz MNZQNTIOQYASCA-IERDGZPVSA-N 1 0 389.515 3.562 10 0 GHAERO CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000246542232 891284287 /nfs/dbraw/zinc/28/42/87/891284287.db2.gz JWIUAYVGLQORSE-MNEFBYGVSA-N 1 0 388.487 3.518 10 0 GHAERO CCOc1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)ccc1OC ZINC000246838039 891313451 /nfs/dbraw/zinc/31/34/51/891313451.db2.gz CUKCHMPVYCRYST-APWZRJJASA-N 1 0 398.507 3.521 10 0 GHAERO C[C@H](CCc1cccc(F)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247044299 891338037 /nfs/dbraw/zinc/33/80/37/891338037.db2.gz YDMKMMNRHRHNIY-JBYIUTFZSA-N 1 0 383.511 3.816 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)CSc1ccc(Cl)cc1 ZINC000247051852 891338494 /nfs/dbraw/zinc/33/84/94/891338494.db2.gz AZQUJJGWXIDOFI-HNAYVOBHSA-N 1 0 389.952 3.854 10 0 GHAERO Cc1cc(OC(F)F)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000247152748 891349551 /nfs/dbraw/zinc/34/95/51/891349551.db2.gz INANIOBPDVVWBD-DOMZBBRYSA-N 1 0 395.475 3.693 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000247176602 891351455 /nfs/dbraw/zinc/35/14/55/891351455.db2.gz JYACRFGHAFJHLM-OXJNMPFZSA-N 1 0 383.923 3.793 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000247449877 891377188 /nfs/dbraw/zinc/37/71/88/891377188.db2.gz OVCQVIBCVGYKIO-IAELRNJOSA-N 1 0 389.543 3.702 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000247555873 891384402 /nfs/dbraw/zinc/38/44/02/891384402.db2.gz TYYUVRXYUCDNIH-HTAPYJJXSA-N 1 0 396.510 3.805 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N1CCC[C@H]1c1ccccc1 ZINC000247573942 891388401 /nfs/dbraw/zinc/38/84/01/891388401.db2.gz XESBZJPLHVYBBK-QIJUGHKUSA-N 1 0 378.520 3.839 10 0 GHAERO FC(F)(F)Cn1ccnc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248146007 891412837 /nfs/dbraw/zinc/41/28/37/891412837.db2.gz QEBRYKACWXAFFY-RBUKOAKNSA-N 1 0 392.469 3.932 10 0 GHAERO COc1ccc([C@H](C)[NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1NC(C)=O ZINC000248907205 891480096 /nfs/dbraw/zinc/48/00/96/891480096.db2.gz UYPJOOSQTCJTJL-PNLZDCPESA-N 1 0 381.520 3.825 10 0 GHAERO Cc1cc(C)c(N2CC[C@H]([NH2+][C@H](C)c3ccc([S@@](C)=O)cc3)C2=O)c(C)c1 ZINC000249097992 891495812 /nfs/dbraw/zinc/49/58/12/891495812.db2.gz OZMFQZXYJAAPPV-GBRYTNNRSA-N 1 0 384.545 3.805 10 0 GHAERO COc1ccc(/C=C(\C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1F ZINC000252952260 891792917 /nfs/dbraw/zinc/79/29/17/891792917.db2.gz NJADZAVQFZUKBF-UGZQKDQTSA-N 1 0 397.494 3.659 10 0 GHAERO CCn1c2nnc(CN[C@H](C)c3cccc(Cl)c3)n2c2ccccc2c1=O ZINC000102686272 898023125 /nfs/dbraw/zinc/02/31/25/898023125.db2.gz OHTMTIJYSYPUDK-CYBMUJFWSA-N 1 0 381.867 3.568 10 0 GHAERO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2ccc3c4c(cccc42)CC3)CC1 ZINC000333183600 900017368 /nfs/dbraw/zinc/01/73/68/900017368.db2.gz SKMQGJJGHGUZSQ-DENIHFKCSA-N 1 0 379.504 3.689 10 0 GHAERO O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000333372904 902044785 /nfs/dbraw/zinc/04/47/85/902044785.db2.gz MRDZSISSDNADJO-CMKODMSKSA-N 1 0 383.536 3.854 10 0 GHAERO CC1(C)CCCc2sc(NC(=O)N3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)nc21 ZINC000333938966 902440969 /nfs/dbraw/zinc/44/09/69/902440969.db2.gz MXCNEANLXQLXKT-GDBMZVCRSA-N 1 0 392.569 3.507 10 0 GHAERO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000011935679 204362560 /nfs/dbraw/zinc/36/25/60/204362560.db2.gz PITYYPIHXLTCEZ-UHFFFAOYSA-N 1 0 376.460 3.564 10 0 GHAERO COC[C@@H]1C[N@H+](Cc2cccs2)CC12CCN(Cc1nccs1)CC2 ZINC000247905248 206136321 /nfs/dbraw/zinc/13/63/21/206136321.db2.gz WWVYBGXXULLEBX-INIZCTEOSA-N 1 0 377.579 3.565 10 0 GHAERO O=c1cc(-c2cccnc2)nc(-c2cccc(C[NH+]3CCC(F)(F)CC3)c2)[nH]1 ZINC000048315019 570235089 /nfs/dbraw/zinc/23/50/89/570235089.db2.gz LUZVRMIYNOQIDH-UHFFFAOYSA-N 1 0 382.414 3.730 10 0 GHAERO OCC[NH2+]CCCNCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000013732763 570783083 /nfs/dbraw/zinc/78/30/83/570783083.db2.gz QFKMMLTUPYYJIC-UHFFFAOYSA-N 1 0 383.319 3.634 10 0 GHAERO C[C@@H](NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1nccs1 ZINC000105991828 837673786 /nfs/dbraw/zinc/67/37/86/837673786.db2.gz IHOFEFDWDDEYIN-DYVFJYSZSA-N 1 0 383.439 3.775 10 0 GHAERO COc1cccc(N2CC[C@@H](C[NH2+][C@H](C)c3cnn(-c4ccccn4)c3C)C2)c1 ZINC000157491927 834947060 /nfs/dbraw/zinc/94/70/60/834947060.db2.gz LEKOFXDQFAOXIX-MJGOQNOKSA-N 1 0 391.519 3.761 10 0 GHAERO Cn1ccnc1CC1CCN(C(=O)Nc2cc(Br)ccc2F)CC1 ZINC000158019419 835193134 /nfs/dbraw/zinc/19/31/34/835193134.db2.gz MNUGHDXGBIADBO-UHFFFAOYSA-N 1 0 395.276 3.808 10 0 GHAERO CN1CC[NH+]([C@H]2CCCCN(Cc3csc(-c4ccccc4F)n3)C2)CC1 ZINC000174898857 839631605 /nfs/dbraw/zinc/63/16/05/839631605.db2.gz UHYDMMMFCQAHMT-SFHVURJKSA-N 1 0 388.556 3.551 10 0 GHAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl ZINC000120737098 840193188 /nfs/dbraw/zinc/19/31/88/840193188.db2.gz MEIKYNCPGJDXPW-UKRRQHHQSA-N 1 0 392.931 3.569 10 0 GHAERO CC1(C)CC(NC(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC(C)(C)[NH2+]1 ZINC000091598842 841302532 /nfs/dbraw/zinc/30/25/32/841302532.db2.gz OTWPFNQKPUXDJH-DLBZAZTESA-N 1 0 379.932 3.778 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1CC=C(c2cccs2)CC1 ZINC000118077431 843153537 /nfs/dbraw/zinc/15/35/37/843153537.db2.gz CHFQTXWWCAHYHT-XLIONFOSSA-N 1 0 396.560 3.852 10 0 GHAERO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)c1 ZINC000408226531 843340787 /nfs/dbraw/zinc/34/07/87/843340787.db2.gz QBHUXQRUDAANET-ZBFHGGJFSA-N 1 0 377.916 3.633 10 0 GHAERO Cc1cc(NC(=O)N2CCC([NH+]3CCCC3)CC2)ccc1OC1CCOCC1 ZINC000154720971 849355433 /nfs/dbraw/zinc/35/54/33/849355433.db2.gz HTDHLMBMKIWLGP-UHFFFAOYSA-N 1 0 387.524 3.645 10 0 GHAERO CCc1nc(NC(=O)N2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)sc1C ZINC000190504591 855474994 /nfs/dbraw/zinc/47/49/94/855474994.db2.gz MFRBZQHRPIJKNH-CQSZACIVSA-N 1 0 393.582 3.765 10 0 GHAERO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)c12 ZINC000195056633 860372330 /nfs/dbraw/zinc/37/23/30/860372330.db2.gz SJKOQCVUJYEKHU-QGZVFWFLSA-N 1 0 397.567 3.928 10 0 GHAERO CCO[C@H]1C[C@H](N(C)Cc2nc3sc(C)c(C)c3c(=O)[nH]2)C12CCCC2 ZINC000089912675 881607179 /nfs/dbraw/zinc/60/71/79/881607179.db2.gz UBNRQSGVLVQCRS-GJZGRUSLSA-N 1 0 375.538 3.771 10 0 GHAERO Cn1c(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)nnc1-c1ccccc1 ZINC000103142865 863932986 /nfs/dbraw/zinc/93/29/86/863932986.db2.gz PKVOUBJAGFKHLM-UHFFFAOYSA-N 1 0 389.547 3.826 10 0 GHAERO O=C(NC[C@H]1CCCC[N@@H+]1Cc1c[nH]nc1-c1cccnc1)Nc1ccccc1 ZINC000091684090 882133566 /nfs/dbraw/zinc/13/35/66/882133566.db2.gz DKHXOHAPUXAMPB-HXUWFJFHSA-N 1 0 390.491 3.648 10 0 GHAERO CC(=O)N(c1nc(CN2CCC[N@@H+](C3CC3)CC2)cs1)c1ccc(C)cc1 ZINC000172543979 882294077 /nfs/dbraw/zinc/29/40/77/882294077.db2.gz NFOJVELNWGILBO-UHFFFAOYSA-N 1 0 384.549 3.806 10 0 GHAERO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)C1 ZINC000251555154 871154978 /nfs/dbraw/zinc/15/49/78/871154978.db2.gz GAJUSFQFNYCZCQ-MXSMSXNCSA-N 1 0 378.586 3.740 10 0 GHAERO CCOc1ccc2cc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)[nH]c2c1 ZINC000116252211 873372127 /nfs/dbraw/zinc/37/21/27/873372127.db2.gz YMURWZUGDHSWSG-OXJNMPFZSA-N 1 0 392.503 3.602 10 0 GHAERO COc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1Cl ZINC000116476709 873513641 /nfs/dbraw/zinc/51/36/41/873513641.db2.gz NRFFCIORBFUGFZ-KSSFIOAISA-N 1 0 388.899 3.776 10 0 GHAERO Cc1ccccc1NC(=O)Cc1nc(CN2CCC([NH+]3CCCC3)CC2)cs1 ZINC000177597518 882834817 /nfs/dbraw/zinc/83/48/17/882834817.db2.gz ATBKLNSLQDLIFU-UHFFFAOYSA-N 1 0 398.576 3.693 10 0 GHAERO COc1ccc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cc1OC(F)F ZINC000121039560 876454346 /nfs/dbraw/zinc/45/43/46/876454346.db2.gz GFHOCUWLZJUVNO-UHFFFAOYSA-N 1 0 396.478 3.911 10 0 GHAERO C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1)c1cccc2ccccc21 ZINC000180382105 883054000 /nfs/dbraw/zinc/05/40/00/883054000.db2.gz KAGGWRUWEYZDDJ-FPOVZHCZSA-N 1 0 394.563 3.712 10 0 GHAERO CC[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1)c1cccc(Cl)c1 ZINC000180390793 883054147 /nfs/dbraw/zinc/05/41/47/883054147.db2.gz PVWGAKPVHHXKNB-UXHICEINSA-N 1 0 392.975 3.603 10 0 GHAERO Cc1cccc(N2CCC([NH2+]C3CCC(NC(=O)OC(C)(C)C)CC3)CC2)n1 ZINC000180564631 883081503 /nfs/dbraw/zinc/08/15/03/883081503.db2.gz UTSMVVBHDCZCDS-UHFFFAOYSA-N 1 0 388.556 3.784 10 0 GHAERO CCCN(C(=O)c1ccccc1NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)C(C)C ZINC000180632300 883088650 /nfs/dbraw/zinc/08/86/50/883088650.db2.gz QZAWRSKEZAXENJ-FXAWDEMLSA-N 1 0 386.540 3.505 10 0 GHAERO Cc1c(NC(=O)N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)cccc1C(F)(F)F ZINC000180589670 883083185 /nfs/dbraw/zinc/08/31/85/883083185.db2.gz YVHUEIWMBWGGOI-MRXNPFEDSA-N 1 0 398.473 3.648 10 0 GHAERO COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c(OC)c1 ZINC000184537732 883354960 /nfs/dbraw/zinc/35/49/60/883354960.db2.gz LBGSMQSNPGSXEV-SPLOXXLWSA-N 1 0 386.467 3.987 10 0 GHAERO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)c2ccc(F)cc2C1 ZINC000185364240 883441198 /nfs/dbraw/zinc/44/11/98/883441198.db2.gz DLYDOGBZAJRRBK-JOCHJYFZSA-N 1 0 378.451 3.595 10 0 GHAERO C[C@@H](NC(=O)C1(c2ccc(F)cc2)CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000102609404 883875352 /nfs/dbraw/zinc/87/53/52/883875352.db2.gz ODQCVYCKHKWTHF-MRXNPFEDSA-N 1 0 399.485 3.626 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1sccc1Br ZINC000116249759 886357601 /nfs/dbraw/zinc/35/76/01/886357601.db2.gz MWZMOEJIWVBRNF-WFASDCNBSA-N 1 0 394.338 3.546 10 0 GHAERO CCOCc1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000116496102 886364063 /nfs/dbraw/zinc/36/40/63/886364063.db2.gz QMZKUKCENKHMRB-UWJYYQICSA-N 1 0 382.508 3.650 10 0 GHAERO COc1ccc([C@H](C)N(C)C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000116569237 886367777 /nfs/dbraw/zinc/36/77/77/886367777.db2.gz WKSBKFIEZLLGSG-FGSXEWAUSA-N 1 0 396.535 3.703 10 0 GHAERO CC(C)Oc1ccc(NC(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1Cl ZINC000124616012 886774765 /nfs/dbraw/zinc/77/47/65/886774765.db2.gz DQNZGKHDLQYJJR-HNNXBMFYSA-N 1 0 395.931 3.844 10 0 GHAERO CSc1cnn(-c2ccccc2)c1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000126766736 887004052 /nfs/dbraw/zinc/00/40/52/887004052.db2.gz XEUVDMHKTGOLMQ-UHFFFAOYSA-N 1 0 385.537 3.686 10 0 GHAERO O=C(Nc1ccc2c(c1)nc1n2CCCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000047357025 887312794 /nfs/dbraw/zinc/31/27/94/887312794.db2.gz UHBNKRBFPGJRKS-UHFFFAOYSA-N 1 0 381.524 3.855 10 0 GHAERO O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000048099521 887404044 /nfs/dbraw/zinc/40/40/44/887404044.db2.gz OJQLSVZNVGNOEX-UHFFFAOYSA-N 1 0 398.551 3.795 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cncc(-c4ccc(Cl)cc4)c3)CC2)CCO1 ZINC000135437488 888240771 /nfs/dbraw/zinc/24/07/71/888240771.db2.gz RWUOAAICDGRWPG-MRXNPFEDSA-N 1 0 399.922 3.727 10 0 GHAERO Cc1nc(CN2CCC(C[NH2+][C@H](c3cccs3)c3ncc[nH]3)CC2)oc1C ZINC000195033519 888637760 /nfs/dbraw/zinc/63/77/60/888637760.db2.gz GALMCLAUOGPKMN-LJQANCHMSA-N 1 0 385.537 3.667 10 0 GHAERO C[C@@H](CC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)Cc1ccc(Cl)cc1 ZINC000245545463 888890481 /nfs/dbraw/zinc/89/04/81/888890481.db2.gz VKMHROXGEPCEHV-IAGOWNOFSA-N 1 0 378.944 3.620 10 0 GHAERO COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)s1 ZINC000245578276 888988983 /nfs/dbraw/zinc/98/89/83/888988983.db2.gz AJSAYEHUVWSFHG-GJYPPUQNSA-N 1 0 388.581 3.597 10 0 GHAERO Cc1n[nH]c(C)c1CCC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245651951 889167024 /nfs/dbraw/zinc/16/70/24/889167024.db2.gz CNYQMOYRLADJSL-YWZLYKJASA-N 1 0 392.906 3.561 10 0 GHAERO COC[C@@H]1CCCN(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000245745348 889611621 /nfs/dbraw/zinc/61/16/21/889611621.db2.gz WOJZNWGOMNVZTC-IDHHARJASA-N 1 0 397.922 3.540 10 0 GHAERO CC1(C)[C@H]([NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)[C@@H]2CCCO[C@H]21 ZINC000245964114 890092975 /nfs/dbraw/zinc/09/29/75/890092975.db2.gz YQMKDECFOIWGHM-PWRODBHTSA-N 1 0 394.519 3.697 10 0 GHAERO COc1cc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)ccc1OCc1c(C)noc1C ZINC000245987792 890133870 /nfs/dbraw/zinc/13/38/70/890133870.db2.gz FMMSRWPXJSJEAU-DFQSSKMNSA-N 1 0 386.492 3.926 10 0 GHAERO Cn1cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c(-c2ccncc2)n1 ZINC000246094299 890353702 /nfs/dbraw/zinc/35/37/02/890353702.db2.gz IVEVHAMBPYQCKT-LEWJYISDSA-N 1 0 380.467 3.709 10 0 GHAERO Cc1cccc2[nH]c(CCC(=O)N3CCC[C@H](C[N@H+]4CCCC[C@H]4C)C3)nc21 ZINC000246408726 891229517 /nfs/dbraw/zinc/22/95/17/891229517.db2.gz RFYYBWCNMJMFED-RTBURBONSA-N 1 0 382.552 3.917 10 0 GHAERO CCc1noc(CC)c1CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246463740 891267301 /nfs/dbraw/zinc/26/73/01/891267301.db2.gz ZDDIIFNMUWULFV-PKOBYXMFSA-N 1 0 398.551 3.994 10 0 GHAERO C[C@H](CCc1ccccc1F)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246739871 891302673 /nfs/dbraw/zinc/30/26/73/891302673.db2.gz GBTFMONBFSYKTC-HMFYCAOWSA-N 1 0 383.511 3.816 10 0 GHAERO Cc1cc2cc(NC(=O)N[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)ccc2[nH]1 ZINC000247050162 891337857 /nfs/dbraw/zinc/33/78/57/891337857.db2.gz ONQHVGPWPFLIGE-FOIQADDNSA-N 1 0 377.492 3.903 10 0 GHAERO Cc1cc2cc(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)ccc2[nH]1 ZINC000247050180 891338894 /nfs/dbraw/zinc/33/88/94/891338894.db2.gz ONQHVGPWPFLIGE-QRWLVFNGSA-N 1 0 377.492 3.903 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1csc(-c2ccsc2)n1 ZINC000247066494 891342404 /nfs/dbraw/zinc/34/24/04/891342404.db2.gz BWAVIOXDKVISQF-RHSMWYFYSA-N 1 0 398.557 3.907 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCOc1ccc(Cl)cc1 ZINC000247098507 891345855 /nfs/dbraw/zinc/34/58/55/891345855.db2.gz FCHZHQMUBJKETQ-OXJNMPFZSA-N 1 0 387.911 3.531 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000247152487 891350111 /nfs/dbraw/zinc/35/01/11/891350111.db2.gz ILODSFXTMZEAEX-DVMWJLJYSA-N 1 0 383.923 3.865 10 0 GHAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(NC(=O)c3cccs3)c2)C1 ZINC000247335310 891367935 /nfs/dbraw/zinc/36/79/35/891367935.db2.gz VWJSPKQTIXQYOY-WMZOPIPTSA-N 1 0 383.517 3.557 10 0 GHAERO Cc1cccc2c(CCC(=O)N[C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)c[nH]c21 ZINC000247518904 891382016 /nfs/dbraw/zinc/38/20/16/891382016.db2.gz WHFBVTBNBWITEM-GCJKJVERSA-N 1 0 390.531 3.831 10 0 GHAERO C[C@@H](c1ccccc1F)N(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247562164 891385432 /nfs/dbraw/zinc/38/54/32/891385432.db2.gz UXQDLRBQYSMDGA-LLGFUMIMSA-N 1 0 384.499 3.834 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(Cc1cccs1)C1CC1 ZINC000247583547 891388446 /nfs/dbraw/zinc/38/84/46/891388446.db2.gz ZBESHXHPJRRGFK-OXJNMPFZSA-N 1 0 384.549 3.728 10 0 GHAERO c1ccc(C[N@H+]2CCC[C@@H]3CN(Cc4nnc(C5CC5)n4C4CC4)CC[C@H]32)cc1 ZINC000248385260 891422190 /nfs/dbraw/zinc/42/21/90/891422190.db2.gz HSDXXLVLGKCQHT-IFMALSPDSA-N 1 0 391.563 3.977 10 0 GHAERO COc1cc(/C=C(/C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2)ccc1O ZINC000248409889 891434450 /nfs/dbraw/zinc/43/44/50/891434450.db2.gz XFRSXBMNUWWHCX-SFRRKPOLSA-N 1 0 392.499 3.637 10 0 GHAERO O[C@H](C[C@@H]1CCCCCN1Cc1cn(Cc2cccnc2)nn1)c1cccs1 ZINC000248452630 891438053 /nfs/dbraw/zinc/43/80/53/891438053.db2.gz GMLVJYKKCZZROQ-VQTJNVASSA-N 1 0 397.548 3.651 10 0 GHAERO Cc1cccc(-c2nnc(-c3ccc(C(=O)N4C[C@@H]5CC[C@@H]([NH3+])[C@H]5C4)cc3)o2)c1 ZINC000248632247 891448387 /nfs/dbraw/zinc/44/83/87/891448387.db2.gz PJOLZVRNTKDHEV-SLFFLAALSA-N 1 0 388.471 3.521 10 0 GHAERO COc1ccc([C@H](C)[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)cc1NC(C)=O ZINC000248907202 891480004 /nfs/dbraw/zinc/48/00/04/891480004.db2.gz UYPJOOSQTCJTJL-HYFFOGBASA-N 1 0 381.520 3.825 10 0 GHAERO CC(C)(C)[C@@H](NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1cccs1 ZINC000080042826 892906959 /nfs/dbraw/zinc/90/69/59/892906959.db2.gz HXRGQBCGJGZPTD-SFHVURJKSA-N 1 0 379.570 3.589 10 0 GHAERO Cc1cc(NC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)ccc1C(F)(F)F ZINC000333132809 899987750 /nfs/dbraw/zinc/98/77/50/899987750.db2.gz JUXMZEATQLLGHG-IAGOWNOFSA-N 1 0 385.430 3.764 10 0 GHAERO [NH3+][C@@H]1CN(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)C[C@H]1c1ccccc1 ZINC000333166236 900007339 /nfs/dbraw/zinc/00/73/39/900007339.db2.gz HKYLHKJVXJFIRA-PWRODBHTSA-N 1 0 391.515 3.959 10 0 GHAERO Cc1ccc(Br)cc1NC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333231454 900053784 /nfs/dbraw/zinc/05/37/84/900053784.db2.gz YIURTBCIIUOHSE-RDJZCZTQSA-N 1 0 396.329 3.508 10 0 GHAERO O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N1CCC([NH2+]CC2CC2)CC1 ZINC000333360562 902034403 /nfs/dbraw/zinc/03/44/03/902034403.db2.gz LAIFJZLMDOGOSA-HXUWFJFHSA-N 1 0 383.536 3.997 10 0 GHAERO CC1(C)CCc2ccccc2[C@@H]1NC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333378240 902047338 /nfs/dbraw/zinc/04/73/38/902047338.db2.gz NGMKMRLEJCCEJZ-HKBOAZHASA-N 1 0 385.552 3.628 10 0 GHAERO Cc1ccc(NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1C(=O)N1CCCCC1 ZINC000333389418 902056660 /nfs/dbraw/zinc/05/66/60/902056660.db2.gz XETRZUSGMHMMOA-NRFANRHFSA-N 1 0 398.551 3.617 10 0 GHAERO [NH3+]C1(CNC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)C2CC3CC(C2)CC1C3 ZINC000333623643 902229598 /nfs/dbraw/zinc/22/95/98/902229598.db2.gz ZWTXILSOEGXQHO-NBRDVDMLSA-N 1 0 393.535 3.563 10 0 GHAERO [NH3+][C@H]1CCCO[C@@H]1C1CCN(c2ccnc3c(Br)cccc23)CC1 ZINC000333645860 902242958 /nfs/dbraw/zinc/24/29/58/902242958.db2.gz IYQUMQYWYNBPHS-QFBILLFUSA-N 1 0 390.325 3.720 10 0 GHAERO Cc1nc2cc(C(=O)N3CCC[C@@H]([N@H+](C)CCc4ccccn4)C3)ccc2s1 ZINC000011936835 206845658 /nfs/dbraw/zinc/84/56/58/206845658.db2.gz SRMOKTVOLVEOPY-LJQANCHMSA-N 1 0 394.544 3.779 10 0 GHAERO CC(C)(C)C[NH+]1CCC(Oc2ccc(C(=O)N[C@H]3CCOC3)cc2Cl)CC1 ZINC000012763555 206934086 /nfs/dbraw/zinc/93/40/86/206934086.db2.gz KODGGEQGWONXBB-INIZCTEOSA-N 1 0 394.943 3.748 10 0 GHAERO COc1cc(CN2CCC[C@H]([N@H+](C)CCc3ccccn3)C2)cc(Cl)c1O ZINC000020994035 207222501 /nfs/dbraw/zinc/22/25/01/207222501.db2.gz OATXELAZARCBKO-SFHVURJKSA-N 1 0 389.927 3.588 10 0 GHAERO Cc1ccc([C@](C(=O)c2ccccc2)([C@@H](C)CN2CCOCC2)[NH+](C)C)cc1 ZINC000096346631 208310326 /nfs/dbraw/zinc/31/03/26/208310326.db2.gz QYAQXEYNEKWMSN-RDPSFJRHSA-N 1 0 380.532 3.603 10 0 GHAERO c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](Nc2ccc3c(c2)OCO3)C1 ZINC000011937923 570449332 /nfs/dbraw/zinc/44/93/32/570449332.db2.gz VFGOEFILJIJLBV-IBGZPJMESA-N 1 0 376.460 3.678 10 0 GHAERO COc1ccc(C[N@@H+](Cc2ccco2)C[C@H](O)Cc2ccccc2)cc1OC ZINC000036095733 570534977 /nfs/dbraw/zinc/53/49/77/570534977.db2.gz GANATPNSASYWJI-HXUWFJFHSA-N 1 0 381.472 3.903 10 0 GHAERO CCOc1cc(C[NH2+]CCOCCO)cc(Cl)c1OCc1ccccc1F ZINC000010435701 570570427 /nfs/dbraw/zinc/57/04/27/570570427.db2.gz QQBJPUPCMXLLOA-UHFFFAOYSA-N 1 0 397.874 3.555 10 0 GHAERO CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[NH+]2CCC(n3cncn3)CC2)cc1 ZINC000156636835 834468071 /nfs/dbraw/zinc/46/80/71/834468071.db2.gz KHOAACNOJGSMSD-OAQYLSRUSA-N 1 0 395.551 3.576 10 0 GHAERO CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)NCCCC[NH+]1CCCC1 ZINC000101789718 835591049 /nfs/dbraw/zinc/59/10/49/835591049.db2.gz VAXURGLJCWPGKC-FQEVSTJZSA-N 1 0 383.540 3.779 10 0 GHAERO COCCn1c(C)c(C)c2cc(C(=O)N3CCC([NH+]4CCCC4)CC3)ccc21 ZINC000103206218 837276092 /nfs/dbraw/zinc/27/60/92/837276092.db2.gz VVAUGVOZMCYOIH-UHFFFAOYSA-N 1 0 383.536 3.605 10 0 GHAERO Cc1cc(=O)n2nc(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCc4ccccc43)sc2n1 ZINC000363917348 839558484 /nfs/dbraw/zinc/55/84/84/839558484.db2.gz KNMDOMWBVCVRKY-QZTJIDSGSA-N 1 0 380.517 3.544 10 0 GHAERO O=C(c1ccc(C[NH+]2CCC(CO)CC2)cc1)N1CC=C(c2ccccc2)CC1 ZINC000154494505 849312396 /nfs/dbraw/zinc/31/23/96/849312396.db2.gz DVAIDQWVTCCWIK-UHFFFAOYSA-N 1 0 390.527 3.820 10 0 GHAERO COc1ccc([C@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)C(F)(F)F)cc1 ZINC000154931494 849408956 /nfs/dbraw/zinc/40/89/56/849408956.db2.gz MULMQBVCCITPRA-KRWDZBQOSA-N 1 0 385.430 3.568 10 0 GHAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000155147375 849463108 /nfs/dbraw/zinc/46/31/08/849463108.db2.gz NCKZOJPLRYUOAU-YDHSSHFGSA-N 1 0 375.520 3.829 10 0 GHAERO O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)N1CCC([NH+]2CCCC2)CC1 ZINC000155525846 849546403 /nfs/dbraw/zinc/54/64/03/849546403.db2.gz MIXGSLLPJPJOHA-INIZCTEOSA-N 1 0 391.384 3.838 10 0 GHAERO Clc1cc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c2c(c1)COCO2 ZINC000155752189 849627134 /nfs/dbraw/zinc/62/71/34/849627134.db2.gz ZWUNTHCPWBZISY-CQSZACIVSA-N 1 0 384.867 3.629 10 0 GHAERO O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)N1CCC([NH+]2CCCC2)CC1 ZINC000155829092 849661995 /nfs/dbraw/zinc/66/19/95/849661995.db2.gz APGSETUKZZVKNH-MRXNPFEDSA-N 1 0 391.384 3.838 10 0 GHAERO O=C(NCCCC[NH+]1CCCC1)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000156186086 849794243 /nfs/dbraw/zinc/79/42/43/849794243.db2.gz NJQDWMWTKIRNPU-FQEVSTJZSA-N 1 0 386.927 4.000 10 0 GHAERO Cc1c([C@H]2[C@H]([NH2+][C@@H]3C[C@H](C)C[C@H](c4ccccc4)C3)CC(=O)N2C)cnn1C ZINC000329910587 862417190 /nfs/dbraw/zinc/41/71/90/862417190.db2.gz VYDIWNRXSCGZTO-MTAPZDCXSA-N 1 0 380.536 3.562 10 0 GHAERO Cc1ccc(NC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c(Br)c1 ZINC000333948327 853259462 /nfs/dbraw/zinc/25/94/62/853259462.db2.gz WFSILHJCRZFERS-WBVHZDCISA-N 1 0 396.329 3.508 10 0 GHAERO C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(-c3ccc(F)cc3)c2)C[C@@H]1C ZINC000330152955 862620058 /nfs/dbraw/zinc/62/00/58/862620058.db2.gz WZSJCMBSEAATEK-OWIMFNIMSA-N 1 0 398.526 3.945 10 0 GHAERO COc1cc(/C=C/C(=O)NCC[NH+](C)C)ccc1OCc1ccc(Cl)cc1 ZINC000048545646 856467337 /nfs/dbraw/zinc/46/73/37/856467337.db2.gz CCVVUCYFLKHXNU-YRNVUSSQSA-N 1 0 388.895 3.619 10 0 GHAERO CC1CC[NH+]([C@H](CNC(=O)N2CCC(c3cc[nH]n3)CC2)c2ccccc2)CC1 ZINC000157360853 857983520 /nfs/dbraw/zinc/98/35/20/857983520.db2.gz KZSMBMVZGDZBIQ-JOCHJYFZSA-N 1 0 395.551 3.772 10 0 GHAERO Cc1nc2cc(NC(=O)NCc3ccc(OCCC[NH+](C)C)cc3)ccc2o1 ZINC000103317043 863956501 /nfs/dbraw/zinc/95/65/01/863956501.db2.gz UOEZIRMTHRNGLI-UHFFFAOYSA-N 1 0 382.464 3.788 10 0 GHAERO O=C(NCCCC[NH+]1CCOCC1)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000103859806 864100358 /nfs/dbraw/zinc/10/03/58/864100358.db2.gz PSNIMOUUIYIEES-IBGZPJMESA-N 1 0 379.932 3.593 10 0 GHAERO COc1ccc(-c2nc(C[N@@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)cs2)cc1OC ZINC000178123254 864533137 /nfs/dbraw/zinc/53/31/37/864533137.db2.gz GDOYSBNQSAVVFQ-IERDGZPVSA-N 1 0 388.533 3.954 10 0 GHAERO C[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ccc(F)c(Br)c1 ZINC000192973141 865082370 /nfs/dbraw/zinc/08/23/70/865082370.db2.gz SGZGICMOWZAQEE-GFCCVEGCSA-N 1 0 379.277 3.698 10 0 GHAERO COC[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000091413652 882091813 /nfs/dbraw/zinc/09/18/13/882091813.db2.gz GKBMJTAZCDYQDP-JHVJFLLYSA-N 1 0 375.463 3.548 10 0 GHAERO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000172194169 882176416 /nfs/dbraw/zinc/17/64/16/882176416.db2.gz AOZMVXHSUCIJEZ-KRWDZBQOSA-N 1 0 399.564 3.615 10 0 GHAERO Cc1ccc(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1NC(=O)Nc1ccccc1 ZINC000172837150 882313153 /nfs/dbraw/zinc/31/31/53/882313153.db2.gz IDTDWYWYDXSBGS-UHFFFAOYSA-N 1 0 392.503 3.949 10 0 GHAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)CCc3ccc(Cl)cc3Cl)C2)CC1 ZINC000173277977 882346834 /nfs/dbraw/zinc/34/68/34/882346834.db2.gz VPSZMOWSNSSRTN-SFHVURJKSA-N 1 0 398.378 3.555 10 0 GHAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)CCc3ccc(Cl)cc3Cl)C2)CC1 ZINC000173277966 882345597 /nfs/dbraw/zinc/34/55/97/882345597.db2.gz VPSZMOWSNSSRTN-GOSISDBHSA-N 1 0 398.378 3.555 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1c[nH]cc1-c1ccc(F)cc1 ZINC000173787969 882405271 /nfs/dbraw/zinc/40/52/71/882405271.db2.gz ZNCGZVRAVJKTGT-AOMKIAJQSA-N 1 0 392.478 3.856 10 0 GHAERO Clc1ccccc1-c1cnc(CN2CC[NH+](CC3CCOCC3)CC2)o1 ZINC000173770637 882401805 /nfs/dbraw/zinc/40/18/05/882401805.db2.gz ZKNWVSOLVACXSV-UHFFFAOYSA-N 1 0 375.900 3.539 10 0 GHAERO COc1cccc([C@H](C)CC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000175420421 882555146 /nfs/dbraw/zinc/55/51/46/882555146.db2.gz MOLPOBXGEPOBDS-FGSXEWAUSA-N 1 0 381.520 3.611 10 0 GHAERO CSc1ccc(NC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1Cl ZINC000176104685 882666698 /nfs/dbraw/zinc/66/66/98/882666698.db2.gz TVNKAIJQYXDCSO-CYBMUJFWSA-N 1 0 383.945 3.779 10 0 GHAERO CCSc1ccc(Cl)cc1C(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000176308725 882677519 /nfs/dbraw/zinc/67/75/19/882677519.db2.gz MNGHTHVTXRWGMR-KRWDZBQOSA-N 1 0 396.000 3.694 10 0 GHAERO Cc1cccc2[nH]c(CCC(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)nc21 ZINC000176514000 882701834 /nfs/dbraw/zinc/70/18/34/882701834.db2.gz RFYYBWCNMJMFED-OALUTQOASA-N 1 0 382.552 3.917 10 0 GHAERO Cc1ccccc1OCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116246157 873368979 /nfs/dbraw/zinc/36/89/79/873368979.db2.gz JPXGIQFQVQIAQR-PZJWPPBQSA-N 1 0 381.520 3.576 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccccc1C(F)(F)F ZINC000116249927 873370026 /nfs/dbraw/zinc/37/00/26/873370026.db2.gz BOYLCARURLZAIA-KDOFPFPSSA-N 1 0 377.410 3.741 10 0 GHAERO Clc1ccc2c(c1Cl)OCCC[C@H]2[NH2+]Cc1cccnc1-n1cncn1 ZINC000178051639 882860793 /nfs/dbraw/zinc/86/07/93/882860793.db2.gz QXMQQMBFJLMEEL-OAHLLOKOSA-N 1 0 390.274 3.973 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cc(F)c(F)c(F)c1 ZINC000119128433 874938588 /nfs/dbraw/zinc/93/85/88/874938588.db2.gz YWZDSIWQPSICRQ-PXAZEXFGSA-N 1 0 378.398 3.531 10 0 GHAERO O=C(CN1CC[C@@]2(O)CCCC[C@@H]2C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000178127310 882888094 /nfs/dbraw/zinc/88/80/94/882888094.db2.gz DFRHBQSVEADFAQ-PXAZEXFGSA-N 1 0 390.833 3.924 10 0 GHAERO O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000179943235 883039654 /nfs/dbraw/zinc/03/96/54/883039654.db2.gz JZXHJVQHLSJMSP-RBUKOAKNSA-N 1 0 395.906 3.579 10 0 GHAERO C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1)c1ccc2ccccc2c1 ZINC000180381558 883054516 /nfs/dbraw/zinc/05/45/16/883054516.db2.gz YDDVQQSTGFZGFO-WMZHIEFXSA-N 1 0 394.563 3.712 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccccc1OC(F)(F)F ZINC000180228986 883069176 /nfs/dbraw/zinc/06/91/76/883069176.db2.gz UYADZWNDASFUJK-PBHICJAKSA-N 1 0 393.409 3.621 10 0 GHAERO Cn1c(CN2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)nnc1C1CCC1 ZINC000181464177 883154188 /nfs/dbraw/zinc/15/41/88/883154188.db2.gz VVSQRMLRWMVQQH-GOSISDBHSA-N 1 0 376.508 3.852 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+]Cc2cc3ccccc3[nH]c2=O)c2ccc(F)cc2C1 ZINC000185364982 883441034 /nfs/dbraw/zinc/44/10/34/883441034.db2.gz YGMJOFWLYAQDJB-NRFANRHFSA-N 1 0 379.435 3.663 10 0 GHAERO C[C@@H](c1ccccc1)N1CCC([NH2+][C@@H]2CCS(=O)(=O)c3ccccc32)CC1 ZINC000186196545 883618668 /nfs/dbraw/zinc/61/86/68/883618668.db2.gz DDUDMCUQLJFJGD-LAUBAEHRSA-N 1 0 384.545 3.720 10 0 GHAERO COc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(OC(C)C)c1 ZINC000191713871 884207771 /nfs/dbraw/zinc/20/77/71/884207771.db2.gz BSHUIEAETYNOND-UWJYYQICSA-N 1 0 397.519 3.518 10 0 GHAERO Cc1cc(OC(F)F)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000116248214 886357233 /nfs/dbraw/zinc/35/72/33/886357233.db2.gz INANIOBPDVVWBD-SWLSCSKDSA-N 1 0 395.475 3.693 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)CC2)CCO1 ZINC000124380518 886739043 /nfs/dbraw/zinc/73/90/43/886739043.db2.gz RJQVJSYFHZODSV-QGZVFWFLSA-N 1 0 391.515 3.975 10 0 GHAERO Cc1cccc(N2CCC([NH2+]C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)n1 ZINC000130169940 887397329 /nfs/dbraw/zinc/39/73/29/887397329.db2.gz LUNGKQULSLOBEE-SFHVURJKSA-N 1 0 388.556 3.596 10 0 GHAERO O=C(c1cc(OCc2ccccc2)ccc1O)N1CCC([NH+]2CCCC2)CC1 ZINC000131091472 887505985 /nfs/dbraw/zinc/50/59/85/887505985.db2.gz DHEGYLMYUHZEOS-UHFFFAOYSA-N 1 0 380.488 3.672 10 0 GHAERO Fc1ccc(Br)c2c1CC[C@H]2[NH2+]C1CCN(c2ncccn2)CC1 ZINC000134317636 887858982 /nfs/dbraw/zinc/85/89/82/887858982.db2.gz MZWTXYFYQBVNCW-MRXNPFEDSA-N 1 0 391.288 3.624 10 0 GHAERO C[C@H](NC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccncc1 ZINC000134995802 887933883 /nfs/dbraw/zinc/93/38/83/887933883.db2.gz ZAILFJQHLPKXPK-IYJAJMOOSA-N 1 0 390.890 3.927 10 0 GHAERO C[C@H](CCOc1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000245442539 888737319 /nfs/dbraw/zinc/73/73/19/888737319.db2.gz ICMBJGSUTYPOIY-KNKQGSTJSA-N 1 0 381.520 3.513 10 0 GHAERO CCC(CC)n1nc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1C ZINC000245630962 889103316 /nfs/dbraw/zinc/10/33/16/889103316.db2.gz UHORNNYDUNJPKR-OXQOHEQNSA-N 1 0 383.540 3.588 10 0 GHAERO CC(=O)c1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1C ZINC000245633132 889111089 /nfs/dbraw/zinc/11/10/89/889111089.db2.gz UHCWERBEYLOKAG-IIBYNOLFSA-N 1 0 380.492 3.625 10 0 GHAERO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2Br)C[C@H]1n1ccnc1 ZINC000245753773 889642609 /nfs/dbraw/zinc/64/26/09/889642609.db2.gz ZERKGXALNXQEQX-RHSMWYFYSA-N 1 0 391.313 3.557 10 0 GHAERO CN1CC[C@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)[C@H]1c1ccccc1 ZINC000246373871 891082400 /nfs/dbraw/zinc/08/24/00/891082400.db2.gz JOGIECQBLYNVKR-JSXGBRPTSA-N 1 0 375.516 3.854 10 0 GHAERO COc1ccc(-c2nc(CN3CCC([NH+]4CCCC4)CC3)cs2)cc1OC ZINC000066533340 891124209 /nfs/dbraw/zinc/12/42/09/891124209.db2.gz MCFIWIHXBUHIFG-UHFFFAOYSA-N 1 0 387.549 3.888 10 0 GHAERO Cc1onc(-c2ccccn2)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246853284 891315900 /nfs/dbraw/zinc/31/59/00/891315900.db2.gz BOTRDOCPIMSYJH-QFBILLFUSA-N 1 0 390.487 3.828 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@H]1SCCc2sccc21 ZINC000246891504 891321429 /nfs/dbraw/zinc/32/14/29/891321429.db2.gz PDHBJWJZKVUSPD-BJZITVGISA-N 1 0 387.574 3.500 10 0 GHAERO CCN(C)C(=O)c1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000247008529 891331471 /nfs/dbraw/zinc/33/14/71/891331471.db2.gz LMUGPWSHPMXQPZ-AVRDEDQJSA-N 1 0 393.531 3.561 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000246932871 891347683 /nfs/dbraw/zinc/34/76/83/891347683.db2.gz IMFUNHJWLBXHPY-VGOFRKELSA-N 1 0 396.510 3.805 10 0 GHAERO C[C@@H](CC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1)c1ccccc1C(F)(F)F ZINC000247160304 891349829 /nfs/dbraw/zinc/34/98/29/891349829.db2.gz ALKNCHRNNXXXST-HOTGVXAUSA-N 1 0 398.469 3.911 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000247152495 891350532 /nfs/dbraw/zinc/35/05/32/891350532.db2.gz ILODSFXTMZEAEX-IDCXYZFESA-N 1 0 383.923 3.865 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000247176614 891351678 /nfs/dbraw/zinc/35/16/78/891351678.db2.gz JYACRFGHAFJHLM-OXQOHEQNSA-N 1 0 383.923 3.793 10 0 GHAERO Cc1cccc(OCCCCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247334517 891368574 /nfs/dbraw/zinc/36/85/74/891368574.db2.gz YOYVZHVXSVCJRN-NFBKMPQASA-N 1 0 395.547 3.966 10 0 GHAERO CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000248046506 891407582 /nfs/dbraw/zinc/40/75/82/891407582.db2.gz NCVGRRHUIZYYAI-MJGOQNOKSA-N 1 0 386.883 3.865 10 0 GHAERO CCc1nccn1[C@H]1CCCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](CC)C2)C1 ZINC000252463259 892358648 /nfs/dbraw/zinc/35/86/48/892358648.db2.gz WBOCDEFNFABMBE-MOPGFXCFSA-N 1 0 389.588 3.693 10 0 GHAERO CC(C)(C)[C@H](NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1cccs1 ZINC000080042822 892906692 /nfs/dbraw/zinc/90/66/92/892906692.db2.gz HXRGQBCGJGZPTD-GOSISDBHSA-N 1 0 379.570 3.589 10 0 GHAERO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)Nc2nc3c(s2)CCCCCC3)CC1 ZINC000333361029 902036202 /nfs/dbraw/zinc/03/62/02/902036202.db2.gz STUYTKMRAHJHGG-YJBOKZPZSA-N 1 0 392.569 3.552 10 0 GHAERO Cc1[nH+]c2c(Cl)cccc2c(N2CCC[C@]3(CCS(=O)(=O)C3)C2)c1C ZINC000333761348 902315625 /nfs/dbraw/zinc/31/56/25/902315625.db2.gz ZTFRINVKTBUFRB-IBGZPJMESA-N 1 0 378.925 3.910 10 0 GHAERO CC1(C)CCCc2sc(NC(=O)N3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)nc21 ZINC000333938968 902440893 /nfs/dbraw/zinc/44/08/93/902440893.db2.gz MXCNEANLXQLXKT-HOCLYGCPSA-N 1 0 392.569 3.507 10 0 GHAERO COc1cc2c(cc1OC)CN([C@H]1CCC[N@H+](Cc3ccccc3F)C1)CC2 ZINC000023360277 207274637 /nfs/dbraw/zinc/27/46/37/207274637.db2.gz LFUXKDCBWQSYPE-FQEVSTJZSA-N 1 0 384.495 3.866 10 0 GHAERO CCOc1cc(C[NH2+]C[C@@H]2CCCN2CC)cc(Br)c1OCC ZINC000022936424 207266214 /nfs/dbraw/zinc/26/62/14/207266214.db2.gz DMUWTHBQCLNEQV-HNNXBMFYSA-N 1 0 385.346 3.820 10 0 GHAERO Brc1ccc(C[NH2+][C@@H]2COC[C@H]2C2CC2)cc1Br ZINC000725269615 570327785 /nfs/dbraw/zinc/32/77/85/570327785.db2.gz NSVYXDNXXKWZJL-SMDDNHRTSA-N 1 0 375.104 3.726 10 0 GHAERO CC(=O)N[C@H]1CC[N@@H+](C2CCN(c3cccc(-c4cccc(C)c4)c3)CC2)C1 ZINC000023192080 570946406 /nfs/dbraw/zinc/94/64/06/570946406.db2.gz GHRJFFFEHWOOFU-QFIPXVFZSA-N 1 0 377.532 3.841 10 0 GHAERO Cc1cc(N(C)C)cc(C)c1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000156777646 834550586 /nfs/dbraw/zinc/55/05/86/834550586.db2.gz SCGQBGQZEUQXQA-RXVVDRJESA-N 1 0 395.551 3.797 10 0 GHAERO CC(=O)Nc1ccc(Cl)c(NC(=O)N2CCC(Cc3nccn3C)CC2)c1 ZINC000157354808 834871284 /nfs/dbraw/zinc/87/12/84/834871284.db2.gz UGZQDMGEZIUZMR-UHFFFAOYSA-N 1 0 389.887 3.519 10 0 GHAERO Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)c12 ZINC000113222966 837821827 /nfs/dbraw/zinc/82/18/27/837821827.db2.gz UPGQJSVWIOJXTA-YJBOKZPZSA-N 1 0 390.487 3.815 10 0 GHAERO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH+]2CCN(C/C=C\c3ccccc3)CC2)C1 ZINC000588616896 835064879 /nfs/dbraw/zinc/06/48/79/835064879.db2.gz AFCCOOXXBXKIEF-KVOGHMLTSA-N 1 0 399.579 3.965 10 0 GHAERO COC(=O)[C@@H](Nc1ccc2c(c1)C[N@@H+](C)C2)c1cccc(Br)c1 ZINC000158851475 835557806 /nfs/dbraw/zinc/55/78/06/835557806.db2.gz JPPFWYVGUWZRHV-KRWDZBQOSA-N 1 0 375.266 3.721 10 0 GHAERO CC1CCN(C(=O)c2ccc(NC(=O)N3CCC([C@H]4CCC[NH2+]4)CC3)cc2)CC1 ZINC000333231511 844354648 /nfs/dbraw/zinc/35/46/48/844354648.db2.gz YLHRSPQMDLTMGQ-OAQYLSRUSA-N 1 0 398.551 3.555 10 0 GHAERO Cc1nc(C)n(C[C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc(Cl)c3C)C2)n1 ZINC000106179499 840668988 /nfs/dbraw/zinc/66/89/88/840668988.db2.gz APZYHZSDMLNNDY-YOEHRIQHSA-N 1 0 389.931 3.596 10 0 GHAERO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000332880913 844621642 /nfs/dbraw/zinc/62/16/42/844621642.db2.gz GQQATYFXUQFTEQ-ZDXQCDESSA-N 1 0 399.579 3.625 10 0 GHAERO Cc1c(C(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)cccc1N1CCNC1=O ZINC000162237902 843222372 /nfs/dbraw/zinc/22/23/72/843222372.db2.gz NTOKXAIYEYIWFR-UHFFFAOYSA-N 1 0 392.503 3.749 10 0 GHAERO C[C@H](NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)c(Cl)c1 ZINC000137409763 861405021 /nfs/dbraw/zinc/40/50/21/861405021.db2.gz FKXDDDAJCPJMOO-AGRHKRQWSA-N 1 0 397.922 3.607 10 0 GHAERO O=C(c1cccs1)N1CCC[N@H+](CCCc2nc(-c3ccccc3)no2)CC1 ZINC000112352175 843353264 /nfs/dbraw/zinc/35/32/64/843353264.db2.gz MABGPJSBYUCMKY-UHFFFAOYSA-N 1 0 396.516 3.579 10 0 GHAERO Cc1cccnc1/C=C\C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000588455466 843356803 /nfs/dbraw/zinc/35/68/03/843356803.db2.gz UDZXGGCQHXUMLN-HJWRWDBZSA-N 1 0 399.922 3.716 10 0 GHAERO CC(C)c1nnc([C@H]2CCCCN2C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)[nH]1 ZINC000329536617 861608388 /nfs/dbraw/zinc/60/83/88/861608388.db2.gz BECMTELBAYRLTM-MISYRCLQSA-N 1 0 395.551 3.750 10 0 GHAERO O=C(N[C@H](c1cccc(F)c1)c1ccccn1)N1CCC([NH+]2CCCC2)CC1 ZINC000155136881 849460319 /nfs/dbraw/zinc/46/03/19/849460319.db2.gz SPHJHEGKMJGXJY-OAQYLSRUSA-N 1 0 382.483 3.580 10 0 GHAERO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(-c3ccc(F)cc3)c2)[C@@H]1C ZINC000330129385 862599456 /nfs/dbraw/zinc/59/94/56/862599456.db2.gz JYKSCRYQOBDHTJ-VDOMDEQESA-N 1 0 398.526 3.945 10 0 GHAERO COc1ccccc1CC[N@H+](C)CCC(=O)Nc1ccccc1Br ZINC000104708923 856373247 /nfs/dbraw/zinc/37/32/47/856373247.db2.gz GOEBCXMXXYVRHH-UHFFFAOYSA-N 1 0 391.309 3.961 10 0 GHAERO C[NH+]1CCC(CCNC(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)CC1 ZINC000103304125 863949185 /nfs/dbraw/zinc/94/91/85/863949185.db2.gz LWHFNDMTEQMNDQ-UHFFFAOYSA-N 1 0 386.471 3.544 10 0 GHAERO C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H](c2ccccc2)c2ccncc2)C1 ZINC000103305992 863949939 /nfs/dbraw/zinc/94/99/39/863949939.db2.gz CNSXLLLIMYMQPQ-KNQAVFIVSA-N 1 0 380.536 3.982 10 0 GHAERO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000173453082 865644821 /nfs/dbraw/zinc/64/48/21/865644821.db2.gz SGDOXUPIQBHRGW-RXVVDRJESA-N 1 0 381.524 3.593 10 0 GHAERO Cc1nc2scc(CC(C)C)c2c(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1 ZINC000112556885 866733526 /nfs/dbraw/zinc/73/35/26/866733526.db2.gz NDOFQEIQDMLYPI-UHFFFAOYSA-N 1 0 398.580 3.644 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000172194809 882176540 /nfs/dbraw/zinc/17/65/40/882176540.db2.gz LMLRFHJXYQOZLF-VOQZNFBZSA-N 1 0 378.520 3.621 10 0 GHAERO O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCC[C@H](c2nccs2)C1 ZINC000172222481 882188568 /nfs/dbraw/zinc/18/85/68/882188568.db2.gz YJPSSRUUBOYCCV-IBGZPJMESA-N 1 0 384.549 3.828 10 0 GHAERO COc1ccc(Oc2ccc(NC(=O)N3CCC([NH+]4CCCC4)CC3)cn2)cc1 ZINC000173715397 882368681 /nfs/dbraw/zinc/36/86/81/882368681.db2.gz LOPOCOXOKUMTPB-UHFFFAOYSA-N 1 0 396.491 3.975 10 0 GHAERO c1csc([C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)C2)n1 ZINC000092788976 882439944 /nfs/dbraw/zinc/43/99/44/882439944.db2.gz YEQLOZXLFNNCFG-OAHLLOKOSA-N 1 0 382.489 3.684 10 0 GHAERO Cn1nc(-c2ccccc2)c(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1Cl ZINC000093134449 882493672 /nfs/dbraw/zinc/49/36/72/882493672.db2.gz HQUKVXOEDZPVKZ-INIZCTEOSA-N 1 0 396.926 3.658 10 0 GHAERO CC(C)COC(=O)N1CCC(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000101948380 872396790 /nfs/dbraw/zinc/39/67/90/872396790.db2.gz ZOALVIFWBXJRAT-UHFFFAOYSA-N 1 0 387.524 3.726 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCOc1ccc(Cl)cc1 ZINC000116252290 873371654 /nfs/dbraw/zinc/37/16/54/873371654.db2.gz FCHZHQMUBJKETQ-UZLBHIALSA-N 1 0 387.911 3.531 10 0 GHAERO Cc1cccc(N2CCC(NC(=O)N(C)Cc3nc4ccccc4s3)CC2)n1 ZINC000116970768 873799905 /nfs/dbraw/zinc/79/99/05/873799905.db2.gz JQSHQFLCLXXEJY-UHFFFAOYSA-N 1 0 395.532 3.810 10 0 GHAERO COc1cc([C@@H](C)[NH2+]Cc2cccnc2-n2cncn2)ccc1SC(F)F ZINC000178056813 882860643 /nfs/dbraw/zinc/86/06/43/882860643.db2.gz PQAAZUJITAKJNK-GFCCVEGCSA-N 1 0 391.447 3.836 10 0 GHAERO O=C1C[C@H](C[NH2+]Cc2cccn2Cc2cccs2)CN1Cc1ccccc1 ZINC000179056457 882948752 /nfs/dbraw/zinc/94/87/52/882948752.db2.gz BCWPAACXDJBYQB-LJQANCHMSA-N 1 0 379.529 3.736 10 0 GHAERO O=C(c1ccn(-c2ccc(Cl)cc2Cl)n1)N1CCC([NH+]2CCCC2)CC1 ZINC000179797055 883027026 /nfs/dbraw/zinc/02/70/26/883027026.db2.gz GACODBOCQDVZBF-UHFFFAOYSA-N 1 0 393.318 3.880 10 0 GHAERO C[C@H]([NH2+]C[C@H]1CCN(C)c2ccccc21)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000180017503 883045541 /nfs/dbraw/zinc/04/55/41/883045541.db2.gz PVBVWPYSKXHOGB-GOEBONIOSA-N 1 0 376.497 3.504 10 0 GHAERO CC(C)Cn1cc(C(F)F)c(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000180217527 883067841 /nfs/dbraw/zinc/06/78/41/883067841.db2.gz DPHWGMFEVJMOKE-UHFFFAOYSA-N 1 0 391.466 3.518 10 0 GHAERO O=C(Nc1cc(F)c(Br)c(F)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000182536039 883225765 /nfs/dbraw/zinc/22/57/65/883225765.db2.gz LQJCAFXKCBJWAI-UHFFFAOYSA-N 1 0 388.256 3.819 10 0 GHAERO Fc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cn1 ZINC000189288683 883928566 /nfs/dbraw/zinc/92/85/66/883928566.db2.gz XFEIIXJPEHLARV-CYBMUJFWSA-N 1 0 379.361 3.662 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cnc(-c2ccccc2)s1 ZINC000116249688 886357496 /nfs/dbraw/zinc/35/74/96/886357496.db2.gz BOXDJSGRSAESHK-LPHOPBHVSA-N 1 0 392.528 3.846 10 0 GHAERO CCCCOc1ccc(NC(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c(C)c1 ZINC000128605058 887207334 /nfs/dbraw/zinc/20/73/34/887207334.db2.gz CXVIHELEMCMLHB-SFHVURJKSA-N 1 0 389.540 3.891 10 0 GHAERO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc(-n3cccc3)c(F)c2)CC1 ZINC000105324098 888330554 /nfs/dbraw/zinc/33/05/54/888330554.db2.gz AEVQXLAFHXBPEH-UHFFFAOYSA-N 1 0 381.451 3.946 10 0 GHAERO O=C(COc1ccc(C2SCCCS2)cc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061605327 888491869 /nfs/dbraw/zinc/49/18/69/888491869.db2.gz RYDYIPFKQPQJDE-UHFFFAOYSA-N 1 0 392.590 3.631 10 0 GHAERO O=C(Nc1cccc(O)c1F)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000193706817 888518578 /nfs/dbraw/zinc/51/85/78/888518578.db2.gz IIDAOUFANOLRHL-ZIAGYGMSSA-N 1 0 382.357 3.780 10 0 GHAERO CC(C)Cn1cc(C(F)F)c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)n1 ZINC000245667667 889193719 /nfs/dbraw/zinc/19/37/19/889193719.db2.gz HKJHWVMBTWFOPQ-WMZOPIPTSA-N 1 0 376.451 3.652 10 0 GHAERO CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000246574651 891286841 /nfs/dbraw/zinc/28/68/41/891286841.db2.gz OGOWVDCBSDZLGS-FFGOWVMKSA-N 1 0 390.597 3.608 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(C)Cc1cccc(Cl)c1 ZINC000246858398 891317582 /nfs/dbraw/zinc/31/75/82/891317582.db2.gz DUQOHMHMQFINIS-OXJNMPFZSA-N 1 0 386.927 3.787 10 0 GHAERO O=C(CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1c(Cl)cccc1Cl ZINC000246893987 891320263 /nfs/dbraw/zinc/32/02/63/891320263.db2.gz RDNBTCRHETXOIC-GUYCJALGSA-N 1 0 382.335 3.881 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000247231653 891358018 /nfs/dbraw/zinc/35/80/18/891358018.db2.gz NXOJTDPWPDRQHE-VQIMIIECSA-N 1 0 395.551 3.551 10 0 GHAERO O[C@H](C[C@H]1CCC[N@H+]1C[C@H](O)COc1cccc2[nH]ccc21)c1cccs1 ZINC000247314660 891365656 /nfs/dbraw/zinc/36/56/56/891365656.db2.gz IKDNUISIAZJNTC-JTDSTZFVSA-N 1 0 386.517 3.557 10 0 GHAERO CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)cc1)C(C)C ZINC000247546138 891383130 /nfs/dbraw/zinc/38/31/30/891383130.db2.gz QNCFPHRUSWKYHS-FPOVZHCZSA-N 1 0 376.566 3.701 10 0 GHAERO C[N@@H+]1CCC[C@H]2CN(C(=O)CCc3ncc(-c4ccccc4Cl)o3)CC[C@H]21 ZINC000247950729 891401773 /nfs/dbraw/zinc/40/17/73/891401773.db2.gz DZOXGNOTJUTBJQ-MAUKXSAKSA-N 1 0 387.911 3.870 10 0 GHAERO O=C(NCCC[C@H]1CCCCO1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248750509 891465083 /nfs/dbraw/zinc/46/50/83/891465083.db2.gz UFMVHPYGYQEZIH-LQCXBHPOSA-N 1 0 385.552 3.831 10 0 GHAERO C[C@H]([NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)C(=O)N1CCc2sccc2C1 ZINC000248790208 891469657 /nfs/dbraw/zinc/46/96/57/891469657.db2.gz XIXWAJZZOUBOJA-QKLQHJQFSA-N 1 0 384.545 3.779 10 0 GHAERO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Nc2cccc(OC3CCCC3)c2)CC1 ZINC000333197374 900028735 /nfs/dbraw/zinc/02/87/35/900028735.db2.gz WPEDXKBSDXKNDV-RTWAWAEBSA-N 1 0 387.524 3.758 10 0 GHAERO Cc1ccc2oc(C(=O)N(C)C[C@@H]3CCC[N@H+](C)[C@H]3c3cnn(C)c3)cc2c1 ZINC000333408667 902070257 /nfs/dbraw/zinc/07/02/57/902070257.db2.gz GORVVDLMXMJMNE-HRAATJIYSA-N 1 0 380.492 3.630 10 0 GHAERO O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333447633 902097092 /nfs/dbraw/zinc/09/70/92/902097092.db2.gz XBFKTJYFPNWLRE-PMACEKPBSA-N 1 0 383.536 3.997 10 0 GHAERO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2ccnc3ccc(Br)cc32)CC1 ZINC000333752694 902310117 /nfs/dbraw/zinc/31/01/17/902310117.db2.gz ZHSNVCVEFKAORH-VQIMIIECSA-N 1 0 390.325 3.720 10 0 GHAERO c1cncc(-c2nc3sc4c(c3c(N3CC[C@H]5[NH2+]CC[C@@H]5C3)n2)CCCC4)c1 ZINC000333931357 902433677 /nfs/dbraw/zinc/43/36/77/902433677.db2.gz ZXUWZMXZUBDPCU-NVXWUHKLSA-N 1 0 391.544 3.820 10 0 GHAERO Cc1cc(NC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)ccc1Br ZINC000333946352 902446325 /nfs/dbraw/zinc/44/63/25/902446325.db2.gz UNVFLWISEDOTCN-SJORKVTESA-N 1 0 396.329 3.508 10 0 GHAERO C[C@@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ncc(C(=O)[O-])s1 ZINC000703532004 977168695 /nfs/dbraw/zinc/16/86/95/977168695.db2.gz RVAMSOZMCYQEJG-NVXWUHKLSA-N 1 0 385.533 3.794 10 0 GHAERO C[C@@H](CCN(CCC[NH3+])S(=O)(=O)c1cccc2cnccc21)c1ccccc1 ZINC000090609608 206297804 /nfs/dbraw/zinc/29/78/04/206297804.db2.gz IWKJYDOORQLICX-SFHVURJKSA-N 1 0 397.544 3.768 10 0 GHAERO CC(C)Sc1ccc(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000029554931 206303077 /nfs/dbraw/zinc/30/30/77/206303077.db2.gz NLRDBSFWXSZYJL-UHFFFAOYSA-N 1 0 384.549 3.733 10 0 GHAERO Cc1nc(C)c(Cc2ccccc2)c(N2CCN(C(=O)CC(C)(C)C)CC2)n1 ZINC000033726815 570406190 /nfs/dbraw/zinc/40/61/90/570406190.db2.gz AXYKCGQVOJCKDA-UHFFFAOYSA-N 1 0 380.536 3.769 10 0 GHAERO COc1ccc([C@@H]2C[C@H]3CN(Cc4ccccc4C)C(=O)[C@]34CCC[N@H+]24)cc1 ZINC000012020141 570454848 /nfs/dbraw/zinc/45/48/48/570454848.db2.gz JEQSZCBALWVBJI-SSPYTLHUSA-N 1 0 376.500 3.942 10 0 GHAERO COc1cccc(C[N@H+](CCC(C)C)C[C@@H](O)COCc2ccco2)c1OC ZINC000036097283 570535568 /nfs/dbraw/zinc/53/55/68/570535568.db2.gz GUFAFOCIBSBJEX-LJQANCHMSA-N 1 0 391.508 3.723 10 0 GHAERO Cc1cc(CN2CC[NH+](CC(C)C)CC2)c(C)cc1I ZINC000675075112 570909188 /nfs/dbraw/zinc/90/91/88/570909188.db2.gz GSHCRTUEKSPWEF-UHFFFAOYSA-N 1 0 386.321 3.682 10 0 GHAERO COc1cccc(C[NH+]2CCC(N(C(C)=O)c3ccc(OC)c(OC)c3)CC2)c1 ZINC000037559614 571031408 /nfs/dbraw/zinc/03/14/08/571031408.db2.gz ZSQSARFPYKCMMQ-UHFFFAOYSA-N 1 0 398.503 3.730 10 0 GHAERO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)c12 ZINC000113231492 837822204 /nfs/dbraw/zinc/82/22/04/837822204.db2.gz LOMHDHQWBBMXRL-RDJZCZTQSA-N 1 0 397.567 3.927 10 0 GHAERO c1c2c(sc1-c1nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no1)-c1ccccc1OC2 ZINC000329547670 835212313 /nfs/dbraw/zinc/21/23/13/835212313.db2.gz BACPDTUCRUZJCH-XJKSGUPXSA-N 1 0 381.457 3.893 10 0 GHAERO CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000329620630 835450044 /nfs/dbraw/zinc/45/00/44/835450044.db2.gz FLWONLOSFCWDDE-WBVHZDCISA-N 1 0 381.524 3.588 10 0 GHAERO CC(C)CCOc1cccc(NC(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000068312524 839203895 /nfs/dbraw/zinc/20/38/95/839203895.db2.gz NLRQXEVMJCIJKT-SFHVURJKSA-N 1 0 389.540 3.829 10 0 GHAERO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2Cc2nc3c4ccccc4oc3c(=O)[nH]2)C1 ZINC000328756511 840408903 /nfs/dbraw/zinc/40/89/03/840408903.db2.gz UGDLVQMTQNLMFW-XBVQOTNRSA-N 1 0 381.476 3.843 10 0 GHAERO CC(C)(C)c1cc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)n(-c2ccc(F)cc2)n1 ZINC000329348912 861311590 /nfs/dbraw/zinc/31/15/90/861311590.db2.gz DQUOHKQAXUNCBZ-QGZVFWFLSA-N 1 0 385.487 3.621 10 0 GHAERO Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(N4CCCC4=O)cc3)CC2)nc1 ZINC000163527283 843004042 /nfs/dbraw/zinc/00/40/42/843004042.db2.gz OYVUSSNAZULZFQ-SFHVURJKSA-N 1 0 378.520 3.836 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H](OC(C)(C)C)c1ccccc1 ZINC000155102247 849448260 /nfs/dbraw/zinc/44/82/60/849448260.db2.gz OHPVEVCRMFELDM-BVYCBKJFSA-N 1 0 395.547 3.965 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCCc1ccc(F)c(F)c1 ZINC000155226844 849483156 /nfs/dbraw/zinc/48/31/56/849483156.db2.gz WTWBBQJVPCUNNT-KKSFZXQISA-N 1 0 387.474 3.709 10 0 GHAERO C[NH+](C)CCN(Cc1cccs1)C(=O)NC1CCN(c2cccs2)CC1 ZINC000155776688 849633391 /nfs/dbraw/zinc/63/33/91/849633391.db2.gz JLNIFNOXROAEGV-UHFFFAOYSA-N 1 0 392.594 3.552 10 0 GHAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000101786799 851907574 /nfs/dbraw/zinc/90/75/74/851907574.db2.gz GEOCOPDRLGUONN-DYESRHJHSA-N 1 0 393.535 3.692 10 0 GHAERO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)C1 ZINC000247004117 855450403 /nfs/dbraw/zinc/45/04/03/855450403.db2.gz LUHBEPSWGGEZAK-WNOPAQSVSA-N 1 0 399.579 3.755 10 0 GHAERO C[NH+](C)[C@H](CNC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1cccs1 ZINC000041022980 856302153 /nfs/dbraw/zinc/30/21/53/856302153.db2.gz JETSNQFQRQPITD-MRXNPFEDSA-N 1 0 387.480 3.894 10 0 GHAERO Cc1sc2nc(C)nc(NC[C@@H]3CCC[N@H+](C)[C@H]3c3ccnn3C)c2c1C ZINC000329214388 861152736 /nfs/dbraw/zinc/15/27/36/861152736.db2.gz LBQRLIXQRMQPBV-MAUKXSAKSA-N 1 0 384.553 3.845 10 0 GHAERO COc1ccccc1CCN(C)C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000103866989 864101504 /nfs/dbraw/zinc/10/15/04/864101504.db2.gz CFBDANXOPIEPRP-IBGZPJMESA-N 1 0 385.508 3.618 10 0 GHAERO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1c[nH]nc1-c1cccnc1)Nc1ccccc1 ZINC000091684088 882133782 /nfs/dbraw/zinc/13/37/82/882133782.db2.gz DKHXOHAPUXAMPB-FQEVSTJZSA-N 1 0 390.491 3.648 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(C)CCCc1ccccc1 ZINC000172194067 882176286 /nfs/dbraw/zinc/17/62/86/882176286.db2.gz FCXOBVFUJCTCFR-KNQAVFIVSA-N 1 0 380.536 3.566 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCc1ccc(Cl)s1 ZINC000172175960 882176557 /nfs/dbraw/zinc/17/65/57/882176557.db2.gz WGRJENIQLPGAOO-BBRMVZONSA-N 1 0 378.929 3.506 10 0 GHAERO CCCOc1ccc(CCC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000173516905 882374896 /nfs/dbraw/zinc/37/48/96/882374896.db2.gz HQXWIPGXBQQRJD-WMZHIEFXSA-N 1 0 395.547 3.830 10 0 GHAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCS(=O)(=O)c3ccccc32)CCN1Cc1ccccc1 ZINC000248553619 870487257 /nfs/dbraw/zinc/48/72/57/870487257.db2.gz JOILUNVVQQYQND-LMNJBCLMSA-N 1 0 384.545 3.548 10 0 GHAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)Nc3cc(Cl)ccc3Cl)C2)CC1 ZINC000174369729 882458518 /nfs/dbraw/zinc/45/85/18/882458518.db2.gz HULMVQHXMGZJIW-OAHLLOKOSA-N 1 0 385.339 3.627 10 0 GHAERO C[C@@H](C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1)c1ccc2ccccc2c1 ZINC000175551047 882595656 /nfs/dbraw/zinc/59/56/56/882595656.db2.gz INTCBQWUMMZVTI-AUSIDOKSSA-N 1 0 379.548 3.572 10 0 GHAERO CC[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1nc(C)cs1 ZINC000116547015 873566279 /nfs/dbraw/zinc/56/62/79/873566279.db2.gz OGWXVSBILRDWPC-JCGIZDLHSA-N 1 0 387.553 3.507 10 0 GHAERO CC(C)[N@H+](C)CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(C(F)(F)F)c1 ZINC000102763326 873569334 /nfs/dbraw/zinc/56/93/34/873569334.db2.gz YZHZJWCLKIUXAG-KBPBESRZSA-N 1 0 387.446 3.598 10 0 GHAERO C[N@@H+]1CCC[C@H]2CN(CC(=O)Nc3c(Cl)cccc3C(F)(F)F)CC[C@@H]21 ZINC000178114517 882886704 /nfs/dbraw/zinc/88/67/04/882886704.db2.gz QNBPKZFHEATKME-WFASDCNBSA-N 1 0 389.849 3.713 10 0 GHAERO Cc1cccc(N2CCC([NH2+][C@H](C)c3ncc(Br)s3)CC2)n1 ZINC000179231775 882981925 /nfs/dbraw/zinc/98/19/25/882981925.db2.gz LCWIVKNLZKKYGG-GFCCVEGCSA-N 1 0 381.343 3.929 10 0 GHAERO C[C@@H](CC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1)Cc1ccc(Cl)cc1 ZINC000180064910 883048358 /nfs/dbraw/zinc/04/83/58/883048358.db2.gz MHJUVVCUQJMBDP-WIYYLYMNSA-N 1 0 391.987 3.537 10 0 GHAERO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2ccc(O)c(OC)c2)CC1 ZINC000180094328 883049284 /nfs/dbraw/zinc/04/92/84/883049284.db2.gz ARLCKBXAVBYJIT-UHFFFAOYSA-N 1 0 388.533 3.979 10 0 GHAERO CC1CCN(C(=O)c2ccccc2NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000181748677 883177196 /nfs/dbraw/zinc/17/71/96/883177196.db2.gz XTTURNXEDLYJHJ-LJQANCHMSA-N 1 0 398.551 3.508 10 0 GHAERO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc3c(c2)OCCO3)c2ccc(F)cc2C1 ZINC000184517639 883351026 /nfs/dbraw/zinc/35/10/26/883351026.db2.gz NMSLUNYEGQEUDL-JLTOFOAXSA-N 1 0 384.451 3.741 10 0 GHAERO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000184534455 883354860 /nfs/dbraw/zinc/35/48/60/883354860.db2.gz AMPYXQSGJGUVEH-JLCFBVMHSA-N 1 0 383.467 3.928 10 0 GHAERO C[C@H]([NH2+][C@@H](C)[C@H]1COc2ccccc21)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000185551651 883555169 /nfs/dbraw/zinc/55/51/69/883555169.db2.gz MUMFWFRWIHTGPG-XGHQBKJUSA-N 1 0 379.504 3.768 10 0 GHAERO CC(C)Oc1ccc(CC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000187112968 883747267 /nfs/dbraw/zinc/74/72/67/883747267.db2.gz LHWDALOJDWKHSM-SFHVURJKSA-N 1 0 381.520 3.753 10 0 GHAERO C[C@@H](NC(=O)N1CC2(CCOCC2)c2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189866980 884019371 /nfs/dbraw/zinc/01/93/71/884019371.db2.gz MMIJPWUMFXAMGN-RTBURBONSA-N 1 0 397.563 3.917 10 0 GHAERO COc1ccc(CC2CCN(C(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)CC2)cc1 ZINC000105273207 884686479 /nfs/dbraw/zinc/68/64/79/884686479.db2.gz HKLDZMWYJXLSFW-OAQYLSRUSA-N 1 0 387.568 3.780 10 0 GHAERO O[C@@H](C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1)c1ccccc1Cl ZINC000102520629 885971366 /nfs/dbraw/zinc/97/13/66/885971366.db2.gz VWDVDPCTICAXKK-SFHVURJKSA-N 1 0 384.867 3.698 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3cc(C(F)(F)F)ccc3F)CC2)CCO1 ZINC000102798047 885976762 /nfs/dbraw/zinc/97/67/62/885976762.db2.gz KRIDEOREURITEM-GFCCVEGCSA-N 1 0 389.393 3.562 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3ccccc3Cc3ccccc3)CC2)CCO1 ZINC000124325350 886731722 /nfs/dbraw/zinc/73/17/22/886731722.db2.gz PRDFUYRYOUOCAT-LJQANCHMSA-N 1 0 393.531 3.994 10 0 GHAERO CCCN(CCc1ccccn1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000105077407 887453268 /nfs/dbraw/zinc/45/32/68/887453268.db2.gz SNMYHYOUGLCQKJ-FQEVSTJZSA-N 1 0 384.524 3.866 10 0 GHAERO COc1cc(F)c(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1OC ZINC000130746840 887468970 /nfs/dbraw/zinc/46/89/70/887468970.db2.gz PKZAIAWXDHOZGR-HNNXBMFYSA-N 1 0 386.467 3.798 10 0 GHAERO CSCc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)ccc1F ZINC000245409919 888747100 /nfs/dbraw/zinc/74/71/00/888747100.db2.gz OOTPFCFHOAUKRL-FOIQADDNSA-N 1 0 387.524 3.724 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N1CCCC[C@H]1c1nccs1 ZINC000245472020 888768275 /nfs/dbraw/zinc/76/82/75/888768275.db2.gz OMTTVXBAAWSJES-QRQLOZEOSA-N 1 0 399.564 3.685 10 0 GHAERO C[N@@H+]1CC[C@@H](CNC(=O)Cc2cccc(O)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245664326 889187307 /nfs/dbraw/zinc/18/73/07/889187307.db2.gz GPWHVPQJMMPMPO-MGPUTAFESA-N 1 0 376.859 3.536 10 0 GHAERO COc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)ccc1OCc1c(C)noc1C ZINC000245709504 889368975 /nfs/dbraw/zinc/36/89/75/889368975.db2.gz FQVQLQXDAAFGAW-ICSRJNTNSA-N 1 0 386.492 3.880 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@@H]3C[C@H]3c3cccc4ccccc43)CC2)CCO1 ZINC000245943052 890053418 /nfs/dbraw/zinc/05/34/18/890053418.db2.gz VSJNIWDEKZNWCM-MQNAVGNWSA-N 1 0 378.516 3.655 10 0 GHAERO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cccnc2Br)C1 ZINC000246085329 890331177 /nfs/dbraw/zinc/33/11/77/890331177.db2.gz IIGLBWHCQLOBTF-LSDHHAIUSA-N 1 0 380.330 3.571 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCc1cn(C)c2ccccc12 ZINC000246215509 890708884 /nfs/dbraw/zinc/70/88/84/890708884.db2.gz UGLBBBFFDMPCFJ-XMSQKQJNSA-N 1 0 390.531 3.533 10 0 GHAERO COc1cc(OC)cc([C@@H]2CC[N@@H+]([C@H](C)c3nc(-c4cccnc4)no3)C2)c1 ZINC000246525464 891283591 /nfs/dbraw/zinc/28/35/91/891283591.db2.gz RPBQROLOGFCKTF-GDBMZVCRSA-N 1 0 380.448 3.699 10 0 GHAERO CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000246574670 891288579 /nfs/dbraw/zinc/28/85/79/891288579.db2.gz OGOWVDCBSDZLGS-MDNKFWRPSA-N 1 0 390.597 3.608 10 0 GHAERO Cc1onc(-c2ccccn2)c1C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246886189 891320418 /nfs/dbraw/zinc/32/04/18/891320418.db2.gz DKXOGIWXZZEGQH-AEFFLSMTSA-N 1 0 382.508 3.772 10 0 GHAERO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1c2ccccc2C[C@H]1O ZINC000247008411 891331596 /nfs/dbraw/zinc/33/15/96/891331596.db2.gz KFULWYRYPRMAMG-QHLBDZCJSA-N 1 0 378.394 3.670 10 0 GHAERO CCOc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(C)c1 ZINC000247040839 891337634 /nfs/dbraw/zinc/33/76/34/891337634.db2.gz NXOCGEPHAPESDW-DYESRHJHSA-N 1 0 382.508 3.821 10 0 GHAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247138631 891348550 /nfs/dbraw/zinc/34/85/50/891348550.db2.gz VZANZUNMGBTIIA-UZLBHIALSA-N 1 0 376.504 3.820 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000247187481 891353412 /nfs/dbraw/zinc/35/34/12/891353412.db2.gz KSRNHIZORYFQDG-RDTXWAMCSA-N 1 0 377.410 3.741 10 0 GHAERO Cc1c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)oc2c1C(=O)CCC2 ZINC000247281984 891362231 /nfs/dbraw/zinc/36/22/31/891362231.db2.gz XNODUWDOSCEXSP-MAUKXSAKSA-N 1 0 380.488 3.890 10 0 GHAERO COc1ccccc1C/C(C)=C/C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000247290978 891363378 /nfs/dbraw/zinc/36/33/78/891363378.db2.gz TYWXSBKBOJKFMC-LUJVZZROSA-N 1 0 393.531 3.606 10 0 GHAERO O[C@H](C[C@@H]1CCC[N@H+]1C[C@H](O)COc1cccc2[nH]ccc21)c1cccs1 ZINC000247314675 891364898 /nfs/dbraw/zinc/36/48/98/891364898.db2.gz IKDNUISIAZJNTC-TXPKVOOTSA-N 1 0 386.517 3.557 10 0 GHAERO CCS[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000247335477 891368128 /nfs/dbraw/zinc/36/81/28/891368128.db2.gz NDGRKUMHHGXAOE-PIKOESSRSA-N 1 0 390.597 3.656 10 0 GHAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1NC(C)=O ZINC000247943618 891401706 /nfs/dbraw/zinc/40/17/06/891401706.db2.gz DGVJTRIZVFSVJU-LLGFUMIMSA-N 1 0 396.535 3.610 10 0 GHAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1cnn(Cc2ccccc2)c1 ZINC000248171407 891416036 /nfs/dbraw/zinc/41/60/36/891416036.db2.gz UVJPTPHNGXRUBF-JXALWOEJSA-N 1 0 389.547 3.888 10 0 GHAERO C[C@@H]1C[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000248540741 891425171 /nfs/dbraw/zinc/42/51/71/891425171.db2.gz BMTMDXGQALOLCI-UZLBHIALSA-N 1 0 376.516 3.872 10 0 GHAERO O[C@H](C[C@H]1CCCCCN1Cc1cn(Cc2cccnc2)nn1)c1cccs1 ZINC000248452632 891438426 /nfs/dbraw/zinc/43/84/26/891438426.db2.gz GMLVJYKKCZZROQ-WOJBJXKFSA-N 1 0 397.548 3.651 10 0 GHAERO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCC[C@H]1CCCCO1 ZINC000248761689 891466707 /nfs/dbraw/zinc/46/67/07/891466707.db2.gz YGSNBINTCWUBQG-FCHUYYIVSA-N 1 0 387.568 3.889 10 0 GHAERO COc1ccccc1N1CC[C@H](C[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000249170989 891500182 /nfs/dbraw/zinc/50/01/82/891500182.db2.gz BJYHVOFGCILTSV-IIBYNOLFSA-N 1 0 380.467 3.763 10 0 GHAERO Cc1nc([C@@H]2CCCN2C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cs1 ZINC000251690663 891638259 /nfs/dbraw/zinc/63/82/59/891638259.db2.gz HZBMAPKEKKQJQH-BPAFIMBUSA-N 1 0 399.564 3.604 10 0 GHAERO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)Nc3ccccc3)CC2)c1C ZINC000103176290 898069298 /nfs/dbraw/zinc/06/92/98/898069298.db2.gz QKDVTKVIVLNNCJ-UHFFFAOYSA-N 1 0 382.508 3.835 10 0 GHAERO Cc1ccc(Br)c(NC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000333202096 900032521 /nfs/dbraw/zinc/03/25/21/900032521.db2.gz YBQKHUDUDDFMHE-RDJZCZTQSA-N 1 0 396.329 3.508 10 0 GHAERO Cc1cc(Br)cc(NC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000333252302 901941832 /nfs/dbraw/zinc/94/18/32/901941832.db2.gz CRAOZIMLTTXSNZ-DLBZAZTESA-N 1 0 396.329 3.508 10 0 GHAERO Cc1cc2cc[nH]c2cc1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000333252741 901943026 /nfs/dbraw/zinc/94/30/26/901943026.db2.gz YRXFBQSQCLFGFR-LAUBAEHRSA-N 1 0 394.523 3.757 10 0 GHAERO Cc1c2ccc3ccccc3c2oc1C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333254306 901944451 /nfs/dbraw/zinc/94/44/51/901944451.db2.gz HMPWNBGYZLODTQ-UXHICEINSA-N 1 0 390.483 3.735 10 0 GHAERO O=C(Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2)N1CCC2(CC[NH2+]2)CC1 ZINC000333309942 901995224 /nfs/dbraw/zinc/99/52/24/901995224.db2.gz RMSHNQNEGPAZKQ-INIZCTEOSA-N 1 0 382.533 3.775 10 0 GHAERO [NH3+][C@H]1CCCO[C@H]1C1CCN(c2ccnc3c(Br)cccc23)CC1 ZINC000333645859 902243485 /nfs/dbraw/zinc/24/34/85/902243485.db2.gz IYQUMQYWYNBPHS-LPHOPBHVSA-N 1 0 390.325 3.720 10 0 GHAERO Cc1nc(-c2ccc([C@@H](C)NC(=O)N3CCC4(CC[NH2+]C4)CC3)cc2)cs1 ZINC000333935058 902437605 /nfs/dbraw/zinc/43/76/05/902437605.db2.gz JCEYHPAPYSEUFV-OAHLLOKOSA-N 1 0 384.549 3.965 10 0 GHAERO CC1(C)CCCc2sc(NC(=O)N3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)nc21 ZINC000333938967 902440699 /nfs/dbraw/zinc/44/06/99/902440699.db2.gz MXCNEANLXQLXKT-GOEBONIOSA-N 1 0 392.569 3.507 10 0 GHAERO Cc1cc(NC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)ccc1Br ZINC000333946350 902446203 /nfs/dbraw/zinc/44/62/03/902446203.db2.gz UNVFLWISEDOTCN-IAGOWNOFSA-N 1 0 396.329 3.508 10 0 GHAERO Cc1nc([C@@H]2CCCN2C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cs1 ZINC000189970554 908394762 /nfs/dbraw/zinc/39/47/62/908394762.db2.gz HQGPZOQZWPKJCB-ZWKOTPCHSA-N 1 0 376.501 3.740 10 0 GHAERO Brc1cccc(Br)c1N(Cc1ccco1)C1=[NH+]CCN1 ZINC000028234242 207337505 /nfs/dbraw/zinc/33/75/05/207337505.db2.gz TULGQKLBOCAJGE-UHFFFAOYSA-N 1 0 399.086 3.770 10 0 GHAERO CN1c2ccccc2[C@H](O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc2S1(=O)=O ZINC000100380177 208376253 /nfs/dbraw/zinc/37/62/53/208376253.db2.gz DWCWLRAGCYGTNO-FSBGXSNOSA-N 1 0 398.528 3.556 10 0 in-man GHAERO COc1cccc(C[N@H+](CCC(C)C)C[C@H](O)COCc2ccco2)c1OC ZINC000036097281 570535511 /nfs/dbraw/zinc/53/55/11/570535511.db2.gz GUFAFOCIBSBJEX-IBGZPJMESA-N 1 0 391.508 3.723 10 0 GHAERO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000011878337 570590581 /nfs/dbraw/zinc/59/05/81/570590581.db2.gz HCKWQPFZXVKZMG-LJQANCHMSA-N 1 0 381.476 3.586 10 0 GHAERO COc1cc(CN(C)[C@H](C)c2nccs2)ccc1OCC[NH+]1CCCC1 ZINC000055413801 570694917 /nfs/dbraw/zinc/69/49/17/570694917.db2.gz HRGKRTWDDFYVCM-MRXNPFEDSA-N 1 0 375.538 3.819 10 0 GHAERO C[N@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)Nc2cnc3c(c2)CCCC3)CC1 ZINC000333072091 570725059 /nfs/dbraw/zinc/72/50/59/570725059.db2.gz VCOYXCRILXVFDY-OAQYLSRUSA-N 1 0 393.535 3.874 10 0 GHAERO OCC[NH2+]CCCNCc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000013733001 570783552 /nfs/dbraw/zinc/78/35/52/570783552.db2.gz PRXBTRVLTOZEGO-UHFFFAOYSA-N 1 0 382.479 3.620 10 0 GHAERO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(Cl)c3C)C2)n1 ZINC000246926992 835135557 /nfs/dbraw/zinc/13/55/57/835135557.db2.gz APZYHZSDMLNNDY-RHSMWYFYSA-N 1 0 389.931 3.596 10 0 GHAERO Cc1cc(-c2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)cc(Cl)c1Br ZINC000329628453 835457004 /nfs/dbraw/zinc/45/70/04/835457004.db2.gz VVQAZBISWKWBOW-DGCLKSJQSA-N 1 0 398.688 3.997 10 0 GHAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000247874627 844096881 /nfs/dbraw/zinc/09/68/81/844096881.db2.gz YGODEKVHMBNXTO-LEWJYISDSA-N 1 0 380.536 3.758 10 0 GHAERO COc1ccccc1SC[C@H](C)CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000103620414 837351852 /nfs/dbraw/zinc/35/18/52/837351852.db2.gz WETCGYMOHMUSMU-QGZVFWFLSA-N 1 0 391.581 3.693 10 0 GHAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c21 ZINC000329075153 847568252 /nfs/dbraw/zinc/56/82/52/847568252.db2.gz AIESVDJCIWZZCX-AWEZNQCLSA-N 1 0 384.524 3.713 10 0 GHAERO COC(=O)[C@H](NC1CC[NH+](Cc2cccnc2)CC1)c1ccc2ccccc2c1 ZINC000154646618 849353227 /nfs/dbraw/zinc/35/32/27/849353227.db2.gz ZINWVYJJOQERAV-HSZRJFAPSA-N 1 0 389.499 3.703 10 0 GHAERO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000101516010 851632507 /nfs/dbraw/zinc/63/25/07/851632507.db2.gz AZQIZCBBENLFAE-INIZCTEOSA-N 1 0 395.425 3.964 10 0 GHAERO C[C@@]12CCC[N@@H+]1C[C@H](c1noc(-c3cccc(F)c3Br)n1)OC2 ZINC000328825822 854552919 /nfs/dbraw/zinc/55/29/19/854552919.db2.gz HRWJOULCXRDBMR-WBMJQRKESA-N 1 0 382.233 3.564 10 0 GHAERO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@H]2CCSc3cc(C)c(C)cc32)CC(=O)N1C ZINC000330196016 862652788 /nfs/dbraw/zinc/65/27/88/862652788.db2.gz POGUOBIKXPFOHR-NJNPRVFISA-N 1 0 398.576 3.752 10 0 GHAERO Cn1cc([C@@H]2CCCN2C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cn1 ZINC000171468724 860425775 /nfs/dbraw/zinc/42/57/75/860425775.db2.gz ONZJILGLPWPFLR-QFIPXVFZSA-N 1 0 395.551 3.843 10 0 GHAERO COc1ccc([C@@H](C)[NH2+]C2CCN(c3ncccn3)CC2)cc1Br ZINC000192972861 865080327 /nfs/dbraw/zinc/08/03/27/865080327.db2.gz QTVCQKGDCYEAIY-CYBMUJFWSA-N 1 0 391.313 3.567 10 0 GHAERO O=C(CN1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1)NC1CCCCC1 ZINC000102401494 865117459 /nfs/dbraw/zinc/11/74/59/865117459.db2.gz POIGOYLUTDGROI-MRXNPFEDSA-N 1 0 386.471 3.504 10 0 GHAERO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCC[N@@H+](C2CC2)CC1 ZINC000172347489 882185174 /nfs/dbraw/zinc/18/51/74/882185174.db2.gz DHRVHDWRSVTTBW-LBPRGKRZSA-N 1 0 389.849 3.856 10 0 GHAERO Cc1cn2c(C[NH+]3CCC(C(=O)Nc4ccc(C)cn4)CC3)c(C)nc2s1 ZINC000092002871 882250966 /nfs/dbraw/zinc/25/09/66/882250966.db2.gz WZVIIQBLQYPDBM-UHFFFAOYSA-N 1 0 383.521 3.567 10 0 GHAERO CC(C)c1nccn1CCC(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000174139006 882430033 /nfs/dbraw/zinc/43/00/33/882430033.db2.gz GWWWSLACAPAOFT-UHFFFAOYSA-N 1 0 383.540 3.566 10 0 GHAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC[C@H](c3nccs3)C2)C1 ZINC000114823001 870709196 /nfs/dbraw/zinc/70/91/96/870709196.db2.gz JJGMKWACWJZCBL-KSZLIROESA-N 1 0 378.586 3.790 10 0 GHAERO Cc1ccc(N2CCC([NH2+]C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)nc1 ZINC000174430723 882469385 /nfs/dbraw/zinc/46/93/85/882469385.db2.gz WMFCPEVIGOMAII-SFHVURJKSA-N 1 0 388.556 3.596 10 0 GHAERO CCC(CC)c1cc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)on1 ZINC000175020200 882515266 /nfs/dbraw/zinc/51/52/66/882515266.db2.gz RPVAKIHJTJMSBD-OXJNMPFZSA-N 1 0 399.539 3.683 10 0 GHAERO CC1(C)CCc2ccccc2[C@@H]1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000127305170 871629094 /nfs/dbraw/zinc/62/90/94/871629094.db2.gz MULUJCRRBFKJDT-FSSWDIPSSA-N 1 0 399.579 3.767 10 0 GHAERO C[C@H](NC(=O)NCCCC[NH+]1CCCC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000175381243 882548836 /nfs/dbraw/zinc/54/88/36/882548836.db2.gz WIMUYKOKDFFFPM-AWEZNQCLSA-N 1 0 391.903 3.626 10 0 GHAERO O=C(CC[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc(Cl)cc1 ZINC000175507889 882589854 /nfs/dbraw/zinc/58/98/54/882589854.db2.gz PLQJVWXWDLXTSK-UHFFFAOYSA-N 1 0 391.943 3.783 10 0 GHAERO C[C@H](NC(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(C)(C)C ZINC000175531095 882594585 /nfs/dbraw/zinc/59/45/85/882594585.db2.gz SBWMWLFZTAMYCM-FXAWDEMLSA-N 1 0 375.557 3.508 10 0 GHAERO CC[C@H](Sc1ccccc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116242574 873366219 /nfs/dbraw/zinc/36/62/19/873366219.db2.gz BCSYMKWHZJWGSQ-WMQCIHAUSA-N 1 0 383.561 3.979 10 0 GHAERO COc1ccccc1[C@H](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116250475 873369512 /nfs/dbraw/zinc/36/95/12/873369512.db2.gz KPOOWBXMNBOEIG-LQWHRVPQSA-N 1 0 381.520 3.611 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(F)c(F)cc1Cl ZINC000116251567 873370248 /nfs/dbraw/zinc/37/02/48/873370248.db2.gz CVGQOALNJROYTD-SGTLLEGYSA-N 1 0 379.838 3.654 10 0 GHAERO Cc1nc(C)c([C@@H](C)N(C)C(=O)NC2CCN(c3cccc(C)n3)CC2)s1 ZINC000116970367 873799833 /nfs/dbraw/zinc/79/98/33/873799833.db2.gz VKKDJOHUCOLWBJ-OAHLLOKOSA-N 1 0 387.553 3.835 10 0 GHAERO Cc1ccc(C[NH+](C)C)cc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000177331665 882820371 /nfs/dbraw/zinc/82/03/71/882820371.db2.gz PPJHVESVOPWSMB-UHFFFAOYSA-N 1 0 397.494 3.687 10 0 GHAERO O=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000124569824 874759217 /nfs/dbraw/zinc/75/92/17/874759217.db2.gz QSCXOFRQDXOVGU-ISKFKSNPSA-N 1 0 399.579 3.899 10 0 GHAERO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2c[nH]nc2-c2ccccc2)CC1 ZINC000179502490 883004489 /nfs/dbraw/zinc/00/44/89/883004489.db2.gz FZCDUNFBCQQXJF-MRXNPFEDSA-N 1 0 390.491 3.819 10 0 GHAERO C[C@@H](Nc1ccc(OC2CC[NH+](C)CC2)nc1)c1ccc(N2CCOC2=O)cc1 ZINC000179744305 883024315 /nfs/dbraw/zinc/02/43/15/883024315.db2.gz DPUITZSLPWZAJO-MRXNPFEDSA-N 1 0 396.491 3.684 10 0 GHAERO COc1cc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)ccc1OCc1c(C)noc1C ZINC000121283535 876722461 /nfs/dbraw/zinc/72/24/61/876722461.db2.gz GYOAKKKKCNXIGC-SFHVURJKSA-N 1 0 396.491 3.982 10 0 GHAERO CN(CC1CC[NH+](C[C@@H](O)c2cc(F)ccc2F)CC1)C(=O)OC(C)(C)C ZINC000103494729 881222595 /nfs/dbraw/zinc/22/25/95/881222595.db2.gz CJEPPPTYVWSKCK-GOSISDBHSA-N 1 0 384.467 3.577 10 0 GHAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1c(Cl)ccc(C(=O)OC)c1C ZINC000184054137 883330542 /nfs/dbraw/zinc/33/05/42/883330542.db2.gz IFZGPVPRXLHMSK-KGLIPLIRSA-N 1 0 379.888 3.526 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)CC(=O)N(C)c2ccccc2)c2ccc(F)cc2C1 ZINC000184519967 883351774 /nfs/dbraw/zinc/35/17/74/883351774.db2.gz PGGGXKHYSCPJPO-AOMKIAJQSA-N 1 0 397.494 3.650 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C1(Cc2cccc(F)c2)CCC1 ZINC000186428278 883644540 /nfs/dbraw/zinc/64/45/40/883644540.db2.gz ACEPYIJQKZOKKT-AVRDEDQJSA-N 1 0 395.522 3.960 10 0 GHAERO O=S1(=O)CC[C@H]([NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)c2ccccc21 ZINC000186384601 883652082 /nfs/dbraw/zinc/65/20/82/883652082.db2.gz KDOUJOXSSGGEJA-UGSOOPFHSA-N 1 0 394.899 3.566 10 0 GHAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)CCCCCc3ccc(F)cc3)C2)CC1 ZINC000189911804 884023155 /nfs/dbraw/zinc/02/31/55/884023155.db2.gz VTLLOEMNTINIJA-QFIPXVFZSA-N 1 0 389.559 3.557 10 0 GHAERO COc1cccc2c1CC[C@@H]([NH2+][C@H]1CCN(C(C)=O)Cc3cc(F)ccc31)C2 ZINC000192447811 884262578 /nfs/dbraw/zinc/26/25/78/884262578.db2.gz CUCMOFMRBZTWKF-KNQAVFIVSA-N 1 0 382.479 3.775 10 0 GHAERO COc1cccc2c1CC[C@H]([NH2+][C@@H]1CCN(C(C)=O)Cc3cc(F)ccc31)C2 ZINC000192447814 884263178 /nfs/dbraw/zinc/26/31/78/884263178.db2.gz CUCMOFMRBZTWKF-SIKLNZKXSA-N 1 0 382.479 3.775 10 0 GHAERO Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000108681510 886085417 /nfs/dbraw/zinc/08/54/17/886085417.db2.gz WJXFOKZYHLRDLG-UHFFFAOYSA-N 1 0 387.505 3.602 10 0 GHAERO CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000116504076 886363709 /nfs/dbraw/zinc/36/37/09/886363709.db2.gz LXHVBTTVSJZJRN-HHHXNRCGSA-N 1 0 391.581 3.826 10 0 GHAERO Cc1cnn([C@H]2CCCN(C(=O)NC3CC[NH+]([C@@H](C)c4ccccc4)CC3)C2)c1 ZINC000116561544 886365689 /nfs/dbraw/zinc/36/56/89/886365689.db2.gz HFYNGEDMGBGOGV-UGKGYDQZSA-N 1 0 395.551 3.764 10 0 GHAERO Cc1cc(C(=O)NC2CCN(c3ccc(C)cn3)CC2)c(C)n1-c1nccs1 ZINC000124249080 886722276 /nfs/dbraw/zinc/72/22/76/886722276.db2.gz SPNWQZVAXBASQL-UHFFFAOYSA-N 1 0 395.532 3.653 10 0 GHAERO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCCN1C(=O)c1ccco1 ZINC000041872109 886728332 /nfs/dbraw/zinc/72/83/32/886728332.db2.gz UHTWNOQLXLLVAE-LJQANCHMSA-N 1 0 381.476 3.509 10 0 GHAERO CCCCOc1ccccc1NC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000125431508 886866526 /nfs/dbraw/zinc/86/65/26/886866526.db2.gz KZVFANPUDFCJJY-KRWDZBQOSA-N 1 0 375.513 3.583 10 0 GHAERO Cc1cccc(N2CCC([NH2+][C@H](C)c3cccc(N4CCOC4=O)c3)CC2)n1 ZINC000128148159 887151132 /nfs/dbraw/zinc/15/11/32/887151132.db2.gz JYNVSUFYTSFPQY-QGZVFWFLSA-N 1 0 380.492 3.666 10 0 GHAERO COCCOc1ccc([C@H](C)[NH2+]C2CCN(c3cccc(C)n3)CC2)cc1OC ZINC000128145162 887151343 /nfs/dbraw/zinc/15/13/43/887151343.db2.gz OWNXLIYMALIFBL-SFHVURJKSA-N 1 0 399.535 3.743 10 0 GHAERO COc1cc(F)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000133424792 887763889 /nfs/dbraw/zinc/76/38/89/887763889.db2.gz AUICGKPFTVUKTQ-NVXWUHKLSA-N 1 0 386.467 3.626 10 0 GHAERO O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061605113 888492605 /nfs/dbraw/zinc/49/26/05/888492605.db2.gz INPUBOSPSRRSJG-UHFFFAOYSA-N 1 0 375.925 3.703 10 0 GHAERO OCCn1nccc1C1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000195508198 888683275 /nfs/dbraw/zinc/68/32/75/888683275.db2.gz UKCLXUFLFQCJNP-UHFFFAOYSA-N 1 0 386.883 3.563 10 0 GHAERO CSc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](c3nncn3C(C)C)C2)cc1 ZINC000245438691 888752259 /nfs/dbraw/zinc/75/22/59/888752259.db2.gz SHNXMXXQEHCRBQ-CVEARBPZSA-N 1 0 387.553 3.788 10 0 GHAERO COc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OCc1cccnc1 ZINC000245720346 889443948 /nfs/dbraw/zinc/44/39/48/889443948.db2.gz DGNXUXJSAXUCFM-LEWJYISDSA-N 1 0 381.520 3.585 10 0 GHAERO COCCC1(CNC(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000245736124 889567948 /nfs/dbraw/zinc/56/79/48/889567948.db2.gz UTVPWAQYJNCIAA-MAUKXSAKSA-N 1 0 397.922 3.588 10 0 GHAERO CCCCOc1cc(C[N@@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)ccc1OC ZINC000245736459 889569796 /nfs/dbraw/zinc/56/97/96/889569796.db2.gz FRMNFNBJHBIHBZ-GHTZIAJQSA-N 1 0 387.524 3.553 10 0 GHAERO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000245904226 889984522 /nfs/dbraw/zinc/98/45/22/889984522.db2.gz FCJYRRWYCKSWQZ-NLSFWIRASA-N 1 0 393.510 3.544 10 0 GHAERO Cc1nc(CC(C)C)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000246240596 890811599 /nfs/dbraw/zinc/81/15/99/890811599.db2.gz ZXGULEAHCSZAIU-QAPCUYQASA-N 1 0 386.565 3.685 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)CCO1 ZINC000072013591 891237784 /nfs/dbraw/zinc/23/77/84/891237784.db2.gz YPZZZPUHSLXRFE-FQEVSTJZSA-N 1 0 392.543 3.920 10 0 GHAERO Cc1ccc(NC(=O)Cc2nc(CN3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cs2)cc1 ZINC000246619709 891293111 /nfs/dbraw/zinc/29/31/11/891293111.db2.gz FAOOAVGSTYMREG-PXNSSMCTSA-N 1 0 398.576 3.549 10 0 GHAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(-c3cccnc3)nc3ccccc32)C1 ZINC000246748261 891304658 /nfs/dbraw/zinc/30/46/58/891304658.db2.gz ZQQGGJBUWFMFHH-FDDCHVKYSA-N 1 0 386.499 3.853 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000246814700 891310352 /nfs/dbraw/zinc/31/03/52/891310352.db2.gz BRUJFLMWIXTKIV-OXJNMPFZSA-N 1 0 386.927 3.787 10 0 GHAERO CCN(Cc1ccccc1C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246819392 891310897 /nfs/dbraw/zinc/31/08/97/891310897.db2.gz BXFRXTNNFOXAIA-DENIHFKCSA-N 1 0 380.536 3.832 10 0 GHAERO CCn1nc(C)c(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1Cl ZINC000246860230 891316540 /nfs/dbraw/zinc/31/65/40/891316540.db2.gz VPZVAMVGRIXSEI-MAUKXSAKSA-N 1 0 388.943 3.990 10 0 GHAERO CCOc1ccc(OC)cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246880819 891319128 /nfs/dbraw/zinc/31/91/28/891319128.db2.gz FZOUOLCMAKUOLD-APWZRJJASA-N 1 0 398.507 3.521 10 0 GHAERO COc1cc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)ccc1OCc1ccncc1 ZINC000247044943 891337413 /nfs/dbraw/zinc/33/74/13/891337413.db2.gz UVNIBRKOAACDPK-GHTZIAJQSA-N 1 0 392.503 3.949 10 0 GHAERO C[C@H](O)c1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000247325974 891366931 /nfs/dbraw/zinc/36/69/31/891366931.db2.gz IQZSJAHUTLTWHD-SFYKDHMMSA-N 1 0 395.547 3.934 10 0 GHAERO CCS[C@@H]1CCC[C@H](NC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000247335491 891367993 /nfs/dbraw/zinc/36/79/93/891367993.db2.gz NDGRKUMHHGXAOE-XEYPJELSSA-N 1 0 390.597 3.656 10 0 GHAERO C[C@H](c1ccc(F)cc1)N(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247573482 891388193 /nfs/dbraw/zinc/38/81/93/891388193.db2.gz XBRXINSHSVQLAP-CBGDNZLLSA-N 1 0 384.499 3.834 10 0 GHAERO CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000248046500 891407122 /nfs/dbraw/zinc/40/71/22/891407122.db2.gz NCVGRRHUIZYYAI-HKUYNNGSSA-N 1 0 386.883 3.865 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+][C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c2ccc(F)cc2C1 ZINC000248653219 891451897 /nfs/dbraw/zinc/45/18/97/891451897.db2.gz UOKQXFOCSZQNBK-UWSIMGETSA-N 1 0 395.522 3.872 10 0 GHAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)C[C@H]1C ZINC000248775705 891468186 /nfs/dbraw/zinc/46/81/86/891468186.db2.gz YZUALDKRBOLUEW-WBHLOVLFSA-N 1 0 390.499 3.577 10 0 GHAERO C[N@@H+]1CC[C@H](CNC(=O)CCc2ccc(O)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248870279 891476324 /nfs/dbraw/zinc/47/63/24/891476324.db2.gz JSJQLRAXICMGMH-IIBYNOLFSA-N 1 0 390.886 3.927 10 0 GHAERO COc1cc(C)c(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1F ZINC000249440317 891507953 /nfs/dbraw/zinc/50/79/53/891507953.db2.gz LZSCWOPXSTWBDY-CRAIPNDOSA-N 1 0 386.471 3.570 10 0 GHAERO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000249690663 891515943 /nfs/dbraw/zinc/51/59/43/891515943.db2.gz RHIOENMPMPKEDK-OALUTQOASA-N 1 0 387.568 3.631 10 0 GHAERO C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000333093602 899953803 /nfs/dbraw/zinc/95/38/03/899953803.db2.gz CUBKTFBFLIMRNM-UTKZUKDTSA-N 1 0 398.551 3.697 10 0 GHAERO Cc1coc(-c2cc(NC(=O)N3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)ccc2C)n1 ZINC000333136556 899990441 /nfs/dbraw/zinc/99/04/41/899990441.db2.gz KHKBHZIEPMNUNW-PMACEKPBSA-N 1 0 398.507 3.709 10 0 GHAERO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000333202209 900032824 /nfs/dbraw/zinc/03/28/24/900032824.db2.gz YDWPYGAVUQWSIX-CAEXGNQWSA-N 1 0 387.549 3.676 10 0 GHAERO Cc1ccc(Br)cc1NC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333231453 900053728 /nfs/dbraw/zinc/05/37/28/900053728.db2.gz YIURTBCIIUOHSE-NVXWUHKLSA-N 1 0 396.329 3.508 10 0 GHAERO [NH3+][C@@H]1CCc2ncc(NC(=O)N[C@@H]3CC4(CCCC4)Oc4ccccc43)cc2C1 ZINC000333388673 902057080 /nfs/dbraw/zinc/05/70/80/902057080.db2.gz XCLVTNJVKNRPDF-OXQOHEQNSA-N 1 0 392.503 3.856 10 0 GHAERO O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333447942 902096915 /nfs/dbraw/zinc/09/69/15/902096915.db2.gz XBFKTJYFPNWLRE-WOJBJXKFSA-N 1 0 383.536 3.997 10 0 GHAERO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2nccc3cc(C(F)(F)F)ccc32)CC1 ZINC000333716063 902287893 /nfs/dbraw/zinc/28/78/93/902287893.db2.gz TVOZJVUTRIGAQV-QZTJIDSGSA-N 1 0 379.426 3.976 10 0 GHAERO [NH3+][C@H]1CCCO[C@@H]1C1CCN(c2ccnc3ccc(Br)cc32)CC1 ZINC000333752691 902310359 /nfs/dbraw/zinc/31/03/59/902310359.db2.gz ZHSNVCVEFKAORH-QFBILLFUSA-N 1 0 390.325 3.720 10 0 GHAERO Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333786566 902330593 /nfs/dbraw/zinc/33/05/93/902330593.db2.gz FKOHGWGLELDVKV-UHFFFAOYSA-N 1 0 381.524 3.838 10 0 GHAERO Cc1cc2nc(N3CCC[N@@H+]([C@H](C)CCn4cccn4)CC3)nc(C)c2cc1C ZINC000014956148 919348937 /nfs/dbraw/zinc/34/89/37/919348937.db2.gz MVHGZCBBZWMXRO-LJQANCHMSA-N 1 0 392.551 3.742 10 0 GHAERO COc1ccc(-c2cnnc(NCC3([NH+]4CCCCC4)CCCC3)n2)cc1F ZINC000012466352 206904572 /nfs/dbraw/zinc/90/45/72/206904572.db2.gz GKKITWWZPYDSIJ-UHFFFAOYSA-N 1 0 385.487 3.897 10 0 GHAERO COc1cc(C[NH2+][C@@H]2CCCN(c3nc4ccccc4s3)C2)cc(OC)c1O ZINC000012574673 206914455 /nfs/dbraw/zinc/91/44/55/206914455.db2.gz WIRPJOLEFNCATC-OAHLLOKOSA-N 1 0 399.516 3.778 10 0 GHAERO COc1cc(C[NH2+]CCCN2CCCC2=O)ccc1OCc1cccc(C)c1 ZINC000013727790 206995089 /nfs/dbraw/zinc/99/50/89/206995089.db2.gz LNGVABUDEOAKCY-UHFFFAOYSA-N 1 0 382.504 3.685 10 0 GHAERO CCn1ncc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccc(OC)cc3)C2)c1C ZINC000014977086 207037524 /nfs/dbraw/zinc/03/75/24/207037524.db2.gz KMSIJGKXRDVEPD-NRFANRHFSA-N 1 0 384.568 3.607 10 0 GHAERO COc1cccc(CNC(=O)CC[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c1 ZINC000020600953 207205748 /nfs/dbraw/zinc/20/57/48/207205748.db2.gz UBJFLGFZBYYLQC-IBGZPJMESA-N 1 0 392.543 3.971 10 0 GHAERO COC[C@H]1C[N@H+](Cc2cccs2)CC12CCN(Cc1nccs1)CC2 ZINC000247905249 209028255 /nfs/dbraw/zinc/02/82/55/209028255.db2.gz WWVYBGXXULLEBX-MRXNPFEDSA-N 1 0 377.579 3.565 10 0 GHAERO COCc1cc(NCC2CC[NH2+]CC2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073684393 522933279 /nfs/dbraw/zinc/93/32/79/522933279.db2.gz DCMAZAMXVOTBSD-UHFFFAOYSA-N 1 0 380.414 3.720 10 0 GHAERO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](C)O ZINC000036301519 570602245 /nfs/dbraw/zinc/60/22/45/570602245.db2.gz ANGDYPMBGREDJP-SFHVURJKSA-N 1 0 395.503 3.709 10 0 GHAERO CN(C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)c1noc2c1CCCC2 ZINC000012386861 570651857 /nfs/dbraw/zinc/65/18/57/570651857.db2.gz GSJKXTKVHCJBGD-KRWDZBQOSA-N 1 0 399.510 3.719 10 0 GHAERO C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000332860158 837447138 /nfs/dbraw/zinc/44/71/38/837447138.db2.gz BDFWENLLXHMWDY-CGBFIWBNSA-N 1 0 389.588 3.659 10 0 GHAERO COc1cccc(N2CC[C@H](C[NH2+][C@@H](C)c3cnn(-c4ccccn4)c3C)C2)c1 ZINC000157492374 834947287 /nfs/dbraw/zinc/94/72/87/834947287.db2.gz LEKOFXDQFAOXIX-PKOBYXMFSA-N 1 0 391.519 3.761 10 0 GHAERO CS(=O)(=O)c1cccc([C@H]([NH2+][C@H]2CCO[C@H](C3CC3)C2)c2ccccc2)c1 ZINC000157767844 835083833 /nfs/dbraw/zinc/08/38/33/835083833.db2.gz ITWCYKPZENTASJ-ILWGZMRPSA-N 1 0 385.529 3.727 10 0 GHAERO Cc1onc(-c2ccccc2)c1C(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000157946876 835165037 /nfs/dbraw/zinc/16/50/37/835165037.db2.gz RDLUNEXFQKLYAU-UHFFFAOYSA-N 1 0 376.460 3.752 10 0 GHAERO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1cnc(-c2ccsc2)s1 ZINC000112297911 835533257 /nfs/dbraw/zinc/53/32/57/835533257.db2.gz VHYOGWGZUADWPB-UHFFFAOYSA-N 1 0 391.562 3.637 10 0 GHAERO CCc1cc(N2CCC([NH2+][C@@H](C)c3cnn(Cc4ccccc4)c3)CC2)ncn1 ZINC000159093287 835725656 /nfs/dbraw/zinc/72/56/56/835725656.db2.gz UABHJPIJPNNHAD-SFHVURJKSA-N 1 0 390.535 3.603 10 0 GHAERO Cc1c(-c2ccccc2)oc2c(C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)cccc2c1=O ZINC000248637111 835867092 /nfs/dbraw/zinc/86/70/92/835867092.db2.gz QPFPFXAFDBBUKK-FFZOFVMBSA-N 1 0 388.467 3.578 10 0 GHAERO CCc1nccn1[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000332885522 836861234 /nfs/dbraw/zinc/86/12/34/836861234.db2.gz PPCQWFVWOGSGJT-HLAWJBBLSA-N 1 0 395.551 3.628 10 0 GHAERO C[C@@H](C(=O)N1CCCC[C@H]1c1cn[nH]c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000113888611 838423380 /nfs/dbraw/zinc/42/33/80/838423380.db2.gz PXFCRBLRCBQIFA-AVRDEDQJSA-N 1 0 380.536 3.807 10 0 GHAERO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000330103183 839509256 /nfs/dbraw/zinc/50/92/56/839509256.db2.gz GBWIGSYFMNVIDU-REWPJTCUSA-N 1 0 385.552 3.874 10 0 GHAERO COc1cc([C@@H](C)[NH2+]C2CCN(c3ccc(C)cn3)CC2)cc(OC)c1OC ZINC000163481571 843005712 /nfs/dbraw/zinc/00/57/12/843005712.db2.gz FHWKFOLBOYPOEC-MRXNPFEDSA-N 1 0 385.508 3.735 10 0 GHAERO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000159281443 862023886 /nfs/dbraw/zinc/02/38/86/862023886.db2.gz LCXVGEAHXMVYLV-HNNXBMFYSA-N 1 0 392.425 3.638 10 0 GHAERO CC(C)[C@H](C)NC(=O)C1CC[NH+]([C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)CC1 ZINC000101549519 851671105 /nfs/dbraw/zinc/67/11/05/851671105.db2.gz FGDSDTLDNBAYIM-CEXWTWQISA-N 1 0 399.579 3.616 10 0 GHAERO C[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccc2c(c1)OCCO2 ZINC000177303637 863321019 /nfs/dbraw/zinc/32/10/19/863321019.db2.gz VTUJUIJJXGCCGD-INIZCTEOSA-N 1 0 387.524 3.615 10 0 GHAERO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc(-n3cccc3)c(F)c2)cc1 ZINC000104336844 864269435 /nfs/dbraw/zinc/26/94/35/864269435.db2.gz XUGUSSOSBZIUOO-UHFFFAOYSA-N 1 0 394.450 3.759 10 0 GHAERO COCc1cc(N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)nc(C(C)(C)C)n1 ZINC000301775778 865531873 /nfs/dbraw/zinc/53/18/73/865531873.db2.gz GMNLXYIDJRHEFR-QFBILLFUSA-N 1 0 383.540 3.638 10 0 GHAERO O=C(Nc1ccccc1)c1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000105024670 866236313 /nfs/dbraw/zinc/23/63/13/866236313.db2.gz SZSXZIDTDXDKJA-HXUWFJFHSA-N 1 0 378.476 3.641 10 0 GHAERO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C1CCN(c2cccs2)CC1 ZINC000168403429 870583008 /nfs/dbraw/zinc/58/30/08/870583008.db2.gz PETAZMFERRRLNR-ZDUSSCGKSA-N 1 0 378.929 3.772 10 0 GHAERO O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000104987158 870607776 /nfs/dbraw/zinc/60/77/76/870607776.db2.gz KTKNJSUGPSIYHC-OAHLLOKOSA-N 1 0 393.413 3.593 10 0 GHAERO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H](c2nccs2)C1)c1ccco1 ZINC000114826578 870756187 /nfs/dbraw/zinc/75/61/87/870756187.db2.gz MQOPRELNFIOTEG-JKSUJKDBSA-N 1 0 376.526 3.708 10 0 GHAERO CCOC(=O)c1c(C2CC2)csc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000176037000 882660299 /nfs/dbraw/zinc/66/02/99/882660299.db2.gz NPQLSPWMDLJYHC-UHFFFAOYSA-N 1 0 391.537 3.894 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(CCC(F)(F)F)CC1CC1 ZINC000176525453 882711337 /nfs/dbraw/zinc/71/13/37/882711337.db2.gz CGUUHHAUIDSNQK-QAPCUYQASA-N 1 0 398.473 3.666 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000116246941 873368045 /nfs/dbraw/zinc/36/80/45/873368045.db2.gz KSRNHIZORYFQDG-KSSFIOAISA-N 1 0 377.410 3.741 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(Cl)cc2cccnc21 ZINC000116245868 873368691 /nfs/dbraw/zinc/36/86/91/873368691.db2.gz HHHTWJHSCJCNDQ-YWZLYKJASA-N 1 0 394.906 3.924 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000116247769 873368888 /nfs/dbraw/zinc/36/88/88/873368888.db2.gz JYACRFGHAFJHLM-UZLBHIALSA-N 1 0 383.923 3.793 10 0 GHAERO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc(Cl)s1 ZINC000176606315 882719162 /nfs/dbraw/zinc/71/91/62/882719162.db2.gz RCEGUCKMRUPYIS-YCPHGPKFSA-N 1 0 377.941 3.927 10 0 GHAERO COc1ccc(Cl)c(NC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000116492633 873517641 /nfs/dbraw/zinc/51/76/41/873517641.db2.gz IPEQVCYNTDAHGR-KSSFIOAISA-N 1 0 388.899 3.776 10 0 GHAERO C[C@H](N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ncc(Br)s1 ZINC000179231708 882981822 /nfs/dbraw/zinc/98/18/22/882981822.db2.gz BKQSWYCUSGJVOW-YDHLFZDLSA-N 1 0 395.370 3.862 10 0 GHAERO CCOCc1cc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)ccc1OC ZINC000179752505 883024872 /nfs/dbraw/zinc/02/48/72/883024872.db2.gz UHWPIENNWYQDEV-UHFFFAOYSA-N 1 0 388.552 3.846 10 0 GHAERO O=C(C1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1)N1CCCCCC1 ZINC000121038027 876454540 /nfs/dbraw/zinc/45/45/40/876454540.db2.gz BGVQUKPDJFBIDF-UHFFFAOYSA-N 1 0 384.499 3.830 10 0 GHAERO C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1)c1cccc2ccccc21 ZINC000180382141 883053439 /nfs/dbraw/zinc/05/34/39/883053439.db2.gz KAGGWRUWEYZDDJ-PZJWPPBQSA-N 1 0 394.563 3.712 10 0 GHAERO COc1ccc(C2(C(=O)N3CCC([NH+]4CCCC4)CC3)CCCC2)cc1OC ZINC000180243800 883069911 /nfs/dbraw/zinc/06/99/11/883069911.db2.gz NTZLIXXLBFZORZ-UHFFFAOYSA-N 1 0 386.536 3.602 10 0 GHAERO Cc1cc(NC(=O)N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)ccc1C(F)(F)F ZINC000180526174 883078627 /nfs/dbraw/zinc/07/86/27/883078627.db2.gz FIAOMKYXQXCMSG-QGZVFWFLSA-N 1 0 398.473 3.648 10 0 GHAERO Cc1ccc(-c2nc(CC(=O)N3CCC(Cc4nccn4C)CC3)cs2)cc1 ZINC000122028438 878233127 /nfs/dbraw/zinc/23/31/27/878233127.db2.gz NNXVQGFGELBUIA-UHFFFAOYSA-N 1 0 394.544 3.876 10 0 GHAERO O[C@@H]1c2ccccc2C[C@@H]1[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186195805 883618839 /nfs/dbraw/zinc/61/88/39/883618839.db2.gz JPJGTTWNXXTURH-SLFFLAALSA-N 1 0 396.288 3.576 10 0 GHAERO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccnc2)cc1 ZINC000188358378 883836941 /nfs/dbraw/zinc/83/69/41/883836941.db2.gz PVUNWHIMQVDUSY-NRFANRHFSA-N 1 0 394.519 3.557 10 0 GHAERO Cc1cccc(N2CCC([NH2+]C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC2)n1 ZINC000191098016 884152872 /nfs/dbraw/zinc/15/28/72/884152872.db2.gz BYOJUBXDIOPKRU-JOCHJYFZSA-N 1 0 388.556 3.596 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3cc(C(F)(F)F)ccc3F)CC2)CCO1 ZINC000102798050 885976458 /nfs/dbraw/zinc/97/64/58/885976458.db2.gz KRIDEOREURITEM-LBPRGKRZSA-N 1 0 389.393 3.562 10 0 GHAERO O=C(/C=C/c1ccc(OCc2cccnc2)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000104405048 886002437 /nfs/dbraw/zinc/00/24/37/886002437.db2.gz LVEFLYYYIROLDA-JXMROGBWSA-N 1 0 391.515 3.761 10 0 GHAERO O=C(C1CCN(c2nc3ccccc3s2)CC1)N1CCC([NH+]2CCCC2)CC1 ZINC000104405539 886002683 /nfs/dbraw/zinc/00/26/83/886002683.db2.gz CMPQMRPUEWEUHV-UHFFFAOYSA-N 1 0 398.576 3.600 10 0 GHAERO O=C(N1CCC([NH+]2CCCC2)CC1)C1(c2ccc(Br)cc2)CC1 ZINC000108685463 886085563 /nfs/dbraw/zinc/08/55/63/886085563.db2.gz ORVWNKWWYDJXEA-UHFFFAOYSA-N 1 0 377.326 3.568 10 0 GHAERO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CCC[C@H](c2nccs2)C1 ZINC000114819617 886328160 /nfs/dbraw/zinc/32/81/60/886328160.db2.gz QKVAXVAXEDDTOL-JKSUJKDBSA-N 1 0 390.578 3.931 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3ccc(OC4CCCC4)cc3)CC2)CCO1 ZINC000124650906 886777852 /nfs/dbraw/zinc/77/78/52/886777852.db2.gz DCZYFRIBCQAOJH-KRWDZBQOSA-N 1 0 387.524 3.725 10 0 GHAERO Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]C1CCN(c2ncccn2)CC1 ZINC000134317653 887859539 /nfs/dbraw/zinc/85/95/39/887859539.db2.gz MZWTXYFYQBVNCW-INIZCTEOSA-N 1 0 391.288 3.624 10 0 GHAERO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000055116611 888302519 /nfs/dbraw/zinc/30/25/19/888302519.db2.gz KUTFLKFBUBFSBT-XZOQPEGZSA-N 1 0 378.516 3.935 10 0 GHAERO CN(C(=O)c1ccccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC000245483854 888790084 /nfs/dbraw/zinc/79/00/84/888790084.db2.gz GGCBSLUPNJLWTM-MOPGFXCFSA-N 1 0 398.551 3.792 10 0 GHAERO CC(=O)N(c1nc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cs1)c1ccccc1 ZINC000245850236 889860425 /nfs/dbraw/zinc/86/04/25/889860425.db2.gz BEBCYWGNXSYKCT-PXNSSMCTSA-N 1 0 384.549 3.744 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(CCC(F)(F)F)CC1CC1 ZINC000245861815 889878470 /nfs/dbraw/zinc/87/84/70/889878470.db2.gz CGUUHHAUIDSNQK-MAUKXSAKSA-N 1 0 398.473 3.666 10 0 GHAERO C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cccc(F)c1F ZINC000245920186 890015999 /nfs/dbraw/zinc/01/59/99/890015999.db2.gz NQQMJDKDRMABSB-ZRGWGRIASA-N 1 0 388.462 3.631 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1cccc(CN2CCCCC2=O)c1 ZINC000245924212 890023227 /nfs/dbraw/zinc/02/32/27/890023227.db2.gz RPMVQYMGMLDFAH-WMZHIEFXSA-N 1 0 392.547 3.917 10 0 GHAERO O[C@H](C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1)c1ccccc1C(F)(F)F ZINC000245945051 890055342 /nfs/dbraw/zinc/05/53/42/890055342.db2.gz BIRLDXZLKAOGPZ-CXAGYDPISA-N 1 0 380.414 3.545 10 0 GHAERO COc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cc1Cn1cccn1 ZINC000246460749 891255393 /nfs/dbraw/zinc/25/53/93/891255393.db2.gz PVQAIZALZRJVFU-LRQRDZAKSA-N 1 0 387.549 3.645 10 0 GHAERO C[C@H](Oc1cccc(C=O)c1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000246529648 891282612 /nfs/dbraw/zinc/28/26/12/891282612.db2.gz CELSFVFZLYZQBJ-RIFZZMRRSA-N 1 0 386.517 3.527 10 0 GHAERO O=C(c1cc2c(s1)CCOC2)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000246866347 891317546 /nfs/dbraw/zinc/31/75/46/891317546.db2.gz CIAHOUDUOKQLSQ-AZUAARDMSA-N 1 0 396.556 3.948 10 0 GHAERO Cc1nn(C(F)F)c(C)c1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247011758 891331773 /nfs/dbraw/zinc/33/17/73/891331773.db2.gz LPGSAUYOCOHVNQ-KBXCAEBGSA-N 1 0 390.478 3.607 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cnc(-c2ccccc2)s1 ZINC000247062730 891339662 /nfs/dbraw/zinc/33/96/62/891339662.db2.gz BOXDJSGRSAESHK-VQIMIIECSA-N 1 0 392.528 3.846 10 0 GHAERO COc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ccc1OC(C)C ZINC000247240873 891357790 /nfs/dbraw/zinc/35/77/90/891357790.db2.gz OQQTVWRVQSSDDV-FXAWDEMLSA-N 1 0 397.519 3.518 10 0 GHAERO COc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1OCc1ccncc1 ZINC000247257659 891360711 /nfs/dbraw/zinc/36/07/11/891360711.db2.gz XMGLFYJTOANMHM-LEWJYISDSA-N 1 0 381.520 3.585 10 0 GHAERO Brc1cccc(-c2cnc(CN3CCS[C@H]4COCC[C@H]43)o2)c1 ZINC000247278533 891361497 /nfs/dbraw/zinc/36/14/97/891361497.db2.gz SQBLQJLSBYGDNZ-ZBFHGGJFSA-N 1 0 395.322 3.810 10 0 GHAERO O[C@H](COc1cccc2[nH]ccc21)C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000247314639 891364558 /nfs/dbraw/zinc/36/45/58/891364558.db2.gz IKDNUISIAZJNTC-BXWFABGCSA-N 1 0 386.517 3.557 10 0 GHAERO Cc1cccnc1[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000247560528 891385985 /nfs/dbraw/zinc/38/59/85/891385985.db2.gz USUFQCBVLKDHQZ-HLAWJBBLSA-N 1 0 395.551 3.692 10 0 GHAERO CC(C)Cn1ncc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1C(F)F ZINC000248049257 891407481 /nfs/dbraw/zinc/40/74/81/891407481.db2.gz NPQZDUBMAPBSRL-SJORKVTESA-N 1 0 376.451 3.652 10 0 GHAERO Cc1ccc(N2CCOC2=O)cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000249079575 891493766 /nfs/dbraw/zinc/49/37/66/891493766.db2.gz SGIQRKPFQWSEMQ-QUCCMNQESA-N 1 0 394.475 3.519 10 0 GHAERO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)C1 ZINC000249271764 891503413 /nfs/dbraw/zinc/50/34/13/891503413.db2.gz BJIWPYXAHYXFQR-QZTJIDSGSA-N 1 0 396.539 3.600 10 0 GHAERO O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333089846 899951373 /nfs/dbraw/zinc/95/13/73/899951373.db2.gz CFYDQUAXEPCSPG-ZDUSSCGKSA-N 1 0 382.386 3.843 10 0 GHAERO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2ncc(C3CCCCC3)s2)CC1 ZINC000333187048 900020419 /nfs/dbraw/zinc/02/04/19/900020419.db2.gz TYRGQRPQQODIKI-SJLPKXTDSA-N 1 0 392.569 3.941 10 0 GHAERO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333373343 902044271 /nfs/dbraw/zinc/04/42/71/902044271.db2.gz VKGDWXAQBDWDOA-ZDUSSCGKSA-N 1 0 393.944 3.798 10 0 GHAERO C[C@H]1CCC[C@@H](CCNC(=O)N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)C1 ZINC000333430449 902083845 /nfs/dbraw/zinc/08/38/45/902083845.db2.gz JYCBOHWXXXLWKC-VNYTWHDVSA-N 1 0 389.588 3.661 10 0 GHAERO [NH3+][C@H]1CCCO[C@@H]1C1CCN(c2nccc3cc(Br)ccc32)CC1 ZINC000333497350 902136951 /nfs/dbraw/zinc/13/69/51/902136951.db2.gz FAXUWJFFRNOHQS-ZWKOTPCHSA-N 1 0 390.325 3.720 10 0 GHAERO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2nccc3cc(Br)ccc32)CC1 ZINC000333497348 902137183 /nfs/dbraw/zinc/13/71/83/902137183.db2.gz FAXUWJFFRNOHQS-QZTJIDSGSA-N 1 0 390.325 3.720 10 0 GHAERO CC1(C)CCCc2sc(NC(=O)N3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)nc21 ZINC000333938969 902440461 /nfs/dbraw/zinc/44/04/61/902440461.db2.gz MXCNEANLXQLXKT-ZBFHGGJFSA-N 1 0 392.569 3.507 10 0 GHAERO Clc1ccccc1N1CCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000001664974 206389075 /nfs/dbraw/zinc/38/90/75/206389075.db2.gz HKAOQOYROZVWKJ-UHFFFAOYSA-N 1 0 398.982 3.674 10 0 GHAERO COc1ccc2c(C[N@@H+]3CCN(c4cccc(C)c4)[C@@H](C)C3)cc(=O)oc2c1 ZINC000020352980 207188581 /nfs/dbraw/zinc/18/85/81/207188581.db2.gz SYJSUJWZOOIUCY-KRWDZBQOSA-N 1 0 378.472 3.821 10 0 GHAERO COc1ccccc1CCC[N@H+](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000021297557 207228605 /nfs/dbraw/zinc/22/86/05/207228605.db2.gz VZYQUZIQMHXQQY-UHFFFAOYSA-N 1 0 380.488 3.636 10 0 GHAERO O[C@@H](C[NH2+]Cc1ccc(Br)s1)COc1cccc(Cl)c1 ZINC000037984934 207246552 /nfs/dbraw/zinc/24/65/52/207246552.db2.gz RKHYVRZBJBPJLD-NSHDSACASA-N 1 0 376.703 3.694 10 0 GHAERO C[N@@H+](Cc1ccc(Br)nc1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095075494 208152072 /nfs/dbraw/zinc/15/20/72/208152072.db2.gz RGKUPKMIBDRUNL-AWEZNQCLSA-N 1 0 384.318 3.533 10 0 GHAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]Cc2ccnc(Br)c2)C1 ZINC000095085349 208153448 /nfs/dbraw/zinc/15/34/48/208153448.db2.gz HVTPTKGORVIFBZ-AWEZNQCLSA-N 1 0 384.318 3.581 10 0 GHAERO Cc1ccc(-c2cc3n(n2)[C@H]([NH2+]CCc2ccc(Cl)cc2)CNC3=O)c(C)c1 ZINC000252478640 570966769 /nfs/dbraw/zinc/96/67/69/570966769.db2.gz AQXGRWVHEKTMSK-NRFANRHFSA-N 1 0 394.906 3.895 10 0 GHAERO CCc1ccc(N(C(=O)COC)C2CC[NH+](Cc3cccc(OC)c3)CC2)cc1 ZINC000037587691 571034860 /nfs/dbraw/zinc/03/48/60/571034860.db2.gz WMSKZDGLTOTRJY-UHFFFAOYSA-N 1 0 396.531 3.902 10 0 GHAERO Cc1onc(-c2ccccc2)c1-c1nnc(CN2C[C@H]3CCCC[N@H+]3C[C@H]2C)o1 ZINC000329682870 835673855 /nfs/dbraw/zinc/67/38/55/835673855.db2.gz YVAUPUCGACVRRC-CRAIPNDOSA-N 1 0 393.491 3.759 10 0 GHAERO CSc1ccc(NC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1Cl ZINC000333201677 844228792 /nfs/dbraw/zinc/22/87/92/844228792.db2.gz XZDXGWWBGDSGIN-NVXWUHKLSA-N 1 0 383.945 3.812 10 0 GHAERO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)c3cc(C4CCCCC4)n[nH]3)C1)CCCC2 ZINC000275451885 837065087 /nfs/dbraw/zinc/06/50/87/837065087.db2.gz FDXJVLKPJUBYFX-QGZVFWFLSA-N 1 0 381.524 3.928 10 0 GHAERO CCc1nccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000247543512 842870297 /nfs/dbraw/zinc/87/02/97/842870297.db2.gz DFHSNSGEOXQCIT-CGVQKBNFSA-N 1 0 384.568 3.556 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3cccc(Oc4ccncc4)c3)CC2)CCO1 ZINC000112211599 843349395 /nfs/dbraw/zinc/34/93/95/843349395.db2.gz KDRRXMARUUQRSA-QGZVFWFLSA-N 1 0 396.491 3.591 10 0 GHAERO O=C(Nc1cccc2cc(Br)cnc21)N1CCC2(CC[NH2+]C2)CC1 ZINC000333330849 844741577 /nfs/dbraw/zinc/74/15/77/844741577.db2.gz OHLDDDWPSQAOCP-UHFFFAOYSA-N 1 0 389.297 3.605 10 0 GHAERO O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105015907 845927968 /nfs/dbraw/zinc/92/79/68/845927968.db2.gz ZQEARXKTGJTUKI-INIZCTEOSA-N 1 0 393.413 3.593 10 0 GHAERO CSc1ccc(O[C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000152020967 846146106 /nfs/dbraw/zinc/14/61/06/846146106.db2.gz VLNVSQCKJKPMHF-FVJLSDCUSA-N 1 0 399.560 3.598 10 0 GHAERO C[C@@H]1CC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c2ccccc21 ZINC000246684903 848131553 /nfs/dbraw/zinc/13/15/53/848131553.db2.gz WDDPUKRFYGMNBN-SEPFQZFQSA-N 1 0 385.552 3.692 10 0 GHAERO Cc1ccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)c(OCC[NH+](C)C)c1 ZINC000154598173 849328778 /nfs/dbraw/zinc/32/87/78/849328778.db2.gz OFFZMLWDBMSKSH-MRXNPFEDSA-N 1 0 388.537 3.803 10 0 GHAERO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000159281331 862023714 /nfs/dbraw/zinc/02/37/14/862023714.db2.gz LCXVGEAHXMVYLV-OAHLLOKOSA-N 1 0 392.425 3.638 10 0 GHAERO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C1CCN(c2ncccn2)CC1 ZINC000155911686 849695141 /nfs/dbraw/zinc/69/51/41/849695141.db2.gz COIAQNGMGDVKIV-CQSZACIVSA-N 1 0 380.521 3.623 10 0 GHAERO [NH3+]C1(C(=O)Nc2ccc(SCc3cccnc3)cc2)Cc2ccccc2C1 ZINC000164011130 851223828 /nfs/dbraw/zinc/22/38/28/851223828.db2.gz DSGLHYKCDDTORS-UHFFFAOYSA-N 1 0 375.497 3.809 10 0 GHAERO CCc1nc(NC(=O)N2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)sc1C ZINC000190504606 855476364 /nfs/dbraw/zinc/47/63/64/855476364.db2.gz MFRBZQHRPIJKNH-AWEZNQCLSA-N 1 0 393.582 3.765 10 0 GHAERO Cn1c(C(=O)N2CCC([NH+]3CCCC3)CC2)cc2cc(C(F)(F)F)ccc21 ZINC000173030979 882333520 /nfs/dbraw/zinc/33/35/20/882333520.db2.gz CGQXIDJNLHMZFO-UHFFFAOYSA-N 1 0 379.426 3.898 10 0 GHAERO C[NH+]1CCN([C@H]2CCCCN(C(=O)c3sccc3-c3ccccc3)C2)CC1 ZINC000173284170 882346681 /nfs/dbraw/zinc/34/66/81/882346681.db2.gz HUKGJSCXRBVEIO-IBGZPJMESA-N 1 0 383.561 3.657 10 0 GHAERO CC(C)CC(=O)Nc1ccc(C(=O)N2CCC([NH+]3CCCC3)CC2)cc1F ZINC000173474160 882363628 /nfs/dbraw/zinc/36/36/28/882363628.db2.gz KJUMSHNZRAGLQY-UHFFFAOYSA-N 1 0 375.488 3.511 10 0 GHAERO CC[C@@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)c1nc(C(F)(F)F)cs1 ZINC000173738569 882370621 /nfs/dbraw/zinc/37/06/21/882370621.db2.gz LSLDXHKMGUWBLB-CYBMUJFWSA-N 1 0 390.475 3.883 10 0 GHAERO CC(C)(C)c1noc(-c2ccccc2C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000108815910 870646472 /nfs/dbraw/zinc/64/64/72/870646472.db2.gz SRAOPWYNNDDVNR-OAHLLOKOSA-N 1 0 382.508 3.781 10 0 GHAERO Cc1nc(-c2ccccc2)oc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000174917536 882507731 /nfs/dbraw/zinc/50/77/31/882507731.db2.gz PDVQVSHNQHSBPV-JXFKEZNVSA-N 1 0 390.487 3.685 10 0 GHAERO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000101549627 872079889 /nfs/dbraw/zinc/07/98/89/872079889.db2.gz SWWKTSOWVIMQAZ-INIZCTEOSA-N 1 0 396.531 3.654 10 0 GHAERO Cc1cccc2[nH]c(CCC(=O)N(Cc3ccco3)C3CC[NH+](C)CC3)nc21 ZINC000176485438 882698584 /nfs/dbraw/zinc/69/85/84/882698584.db2.gz PWDSAJGMTZPIGF-UHFFFAOYSA-N 1 0 380.492 3.520 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000116247772 873367628 /nfs/dbraw/zinc/36/76/28/873367628.db2.gz JYACRFGHAFJHLM-JXFKEZNVSA-N 1 0 383.923 3.793 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(F)c(F)cc1Cl ZINC000116251565 873370126 /nfs/dbraw/zinc/37/01/26/873370126.db2.gz CVGQOALNJROYTD-XIKOKIGWSA-N 1 0 379.838 3.654 10 0 GHAERO O=C(C1CC[NH+](Cc2c(C3CC3)nc3sccn23)CC1)N1CCCCCC1 ZINC000179612988 883013386 /nfs/dbraw/zinc/01/33/86/883013386.db2.gz XTJFCDMXMLYSMO-UHFFFAOYSA-N 1 0 386.565 3.888 10 0 GHAERO Cc1cccc(-c2n[nH]cc2C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000179753222 883024711 /nfs/dbraw/zinc/02/47/11/883024711.db2.gz WGBPGSHWZHWMOL-UHFFFAOYSA-N 1 0 380.536 4.000 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)CCO1 ZINC000184175722 883327154 /nfs/dbraw/zinc/32/71/54/883327154.db2.gz SVXUZVAEOGAHHS-GFCCVEGCSA-N 1 0 390.833 3.684 10 0 GHAERO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(CCc3ccccc3)C2)c2ccc(F)cc2C1 ZINC000184514303 883350860 /nfs/dbraw/zinc/35/08/60/883350860.db2.gz FDBQVAYLLLBNIP-ISKFKSNPSA-N 1 0 395.522 3.526 10 0 GHAERO Cc1ccc(-c2nc(CC[NH2+][C@@H]3CCS(=O)(=O)c4ccccc43)co2)cc1 ZINC000186161831 883615842 /nfs/dbraw/zinc/61/58/42/883615842.db2.gz NVZCLAZLQAICSU-LJQANCHMSA-N 1 0 382.485 3.701 10 0 GHAERO Cc1oc2ccc(NC(=O)N3CCCC[C@@H]([NH+]4CCN(C)CC4)C3)cc2c1C ZINC000186460702 883648145 /nfs/dbraw/zinc/64/81/45/883648145.db2.gz YGQVVEHVPOQWCC-LJQANCHMSA-N 1 0 384.524 3.683 10 0 GHAERO C[C@H](NC(=O)c1cccc2ncccc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000102609415 883875801 /nfs/dbraw/zinc/87/58/01/883875801.db2.gz GKDIRCIUEDNFTG-INIZCTEOSA-N 1 0 392.478 3.617 10 0 GHAERO CO[C@H](C)c1cccc(NC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000105720302 884841995 /nfs/dbraw/zinc/84/19/95/884841995.db2.gz TYLGQCSEYADSIF-GOSISDBHSA-N 1 0 396.535 3.960 10 0 GHAERO CCOc1ccc(CN2CCN(C(=O)C3(c4ccc(F)cc4)CC3)CC2)cc1 ZINC000105755580 884853722 /nfs/dbraw/zinc/85/37/22/884853722.db2.gz VIUAYFYUHUUWQK-UHFFFAOYSA-N 1 0 382.479 3.600 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)N[C@@H](c3ccc(F)cc3)C3CCC3)CC2)CCO1 ZINC000105250197 886013280 /nfs/dbraw/zinc/01/32/80/886013280.db2.gz MNZQNTIOQYASCA-IIBYNOLFSA-N 1 0 389.515 3.562 10 0 GHAERO CC(C)(C)[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)c1cccs1 ZINC000112213686 886253995 /nfs/dbraw/zinc/25/39/95/886253995.db2.gz JVWNPKGWWXTKKF-AEFFLSMTSA-N 1 0 379.570 3.589 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCc1cc2ccccc2o1 ZINC000116533292 886363379 /nfs/dbraw/zinc/36/33/79/886363379.db2.gz RQPYYHOBMPVYDN-JXFKEZNVSA-N 1 0 378.476 3.538 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000116568344 886365967 /nfs/dbraw/zinc/36/59/67/886365967.db2.gz TYYUVRXYUCDNIH-VGSWGCGISA-N 1 0 396.510 3.805 10 0 GHAERO Cc1ccc(N2CCCC2)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000116766706 886372254 /nfs/dbraw/zinc/37/22/54/886372254.db2.gz PJBRIYHSXDUVIY-UGKGYDQZSA-N 1 0 392.547 3.631 10 0 GHAERO CC(C)C(=O)N1CCC[N@H+](Cc2sc(N(C)C)nc2-c2ccccc2)CC1 ZINC000123616469 886655646 /nfs/dbraw/zinc/65/56/46/886655646.db2.gz RTEFWWZOYLYJLE-UHFFFAOYSA-N 1 0 386.565 3.566 10 0 GHAERO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cc2cc(Cl)ccc2o1 ZINC000104922597 886748437 /nfs/dbraw/zinc/74/84/37/886748437.db2.gz IIBVTHXOKARQLJ-UHFFFAOYSA-N 1 0 398.890 3.973 10 0 GHAERO CCSc1cc(Cl)ccc1C(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000125791712 886899496 /nfs/dbraw/zinc/89/94/96/886899496.db2.gz WTWIUUGQNWPDKC-KRWDZBQOSA-N 1 0 396.000 3.694 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cc(-c2ccccc2)on1 ZINC000127194453 887038099 /nfs/dbraw/zinc/03/80/99/887038099.db2.gz QUUXKNLOVXBEHG-LPHOPBHVSA-N 1 0 391.475 3.769 10 0 GHAERO CO[C@H](C)c1cccc(NC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000105032756 887295362 /nfs/dbraw/zinc/29/53/62/887295362.db2.gz JCZBDHBNOUGKJT-QGZVFWFLSA-N 1 0 397.519 3.672 10 0 GHAERO COc1cc(F)c(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1OC ZINC000132264859 887638937 /nfs/dbraw/zinc/63/89/37/887638937.db2.gz JEAFZWVAWUOMQU-ORAYPTAESA-N 1 0 392.496 3.717 10 0 GHAERO O=C(NCc1ccc(Oc2ccccc2)nc1)N1CCC([NH+]2CCCC2)CC1 ZINC000195292515 888678264 /nfs/dbraw/zinc/67/82/64/888678264.db2.gz CALBCOXTPPDOKY-UHFFFAOYSA-N 1 0 380.492 3.644 10 0 GHAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2COC3(CCOCC3)O2)c2cccc(Br)c21 ZINC000245566389 888967997 /nfs/dbraw/zinc/96/79/97/888967997.db2.gz QWSHFSPLANPHIE-WWGRRREGSA-N 1 0 382.298 3.509 10 0 GHAERO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cccc(Br)n2)C1 ZINC000245901948 889978920 /nfs/dbraw/zinc/97/89/20/889978920.db2.gz SJAOLNIOSRVXLA-LSDHHAIUSA-N 1 0 380.330 3.571 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@H]3C[C@@H]3c3cccc4ccccc43)CC2)CCO1 ZINC000245943072 890054238 /nfs/dbraw/zinc/05/42/38/890054238.db2.gz VSJNIWDEKZNWCM-ZQMYSKGWSA-N 1 0 378.516 3.655 10 0 GHAERO COc1ccc(OCc2nc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)cs2)cc1 ZINC000246155681 890558145 /nfs/dbraw/zinc/55/81/45/890558145.db2.gz QQUVHDQREKDUDV-DFQSSKMNSA-N 1 0 386.517 3.778 10 0 GHAERO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000246279840 890927503 /nfs/dbraw/zinc/92/75/03/890927503.db2.gz BJWKUXIEKYDBAS-QMIHWGKISA-N 1 0 375.538 3.676 10 0 GHAERO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000246354770 891059160 /nfs/dbraw/zinc/05/91/60/891059160.db2.gz IANBCNDAMDZBBQ-SYNHAJSKSA-N 1 0 396.984 3.721 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)CC2)CCO1 ZINC000067682166 891159468 /nfs/dbraw/zinc/15/94/68/891159468.db2.gz UBVRRQORXJBMCK-GFCCVEGCSA-N 1 0 389.393 3.562 10 0 GHAERO CCOCCC1(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000246511649 891280881 /nfs/dbraw/zinc/28/08/81/891280881.db2.gz IHYLEAHCOGYFAV-FPOVZHCZSA-N 1 0 387.568 3.888 10 0 GHAERO C[C@H](Oc1cccc(C=O)c1)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000246529655 891282975 /nfs/dbraw/zinc/28/29/75/891282975.db2.gz CELSFVFZLYZQBJ-XAUMDUMWSA-N 1 0 386.517 3.527 10 0 GHAERO C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246789913 891306578 /nfs/dbraw/zinc/30/65/78/891306578.db2.gz MGWRGHGMSUWTBK-NIKGAXFTSA-N 1 0 382.439 3.920 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCCc1cc2ccccc2o1 ZINC000246862139 891317235 /nfs/dbraw/zinc/31/72/35/891317235.db2.gz IYDCJIOMOZMAHF-LAUBAEHRSA-N 1 0 392.503 3.580 10 0 GHAERO CC(C)C(=O)NC[C@@H]1CCCN(Cc2ncc(-c3ccccc3Cl)o2)C1 ZINC000075683175 891336275 /nfs/dbraw/zinc/33/62/75/891336275.db2.gz AGUKKKARCISJIG-HNNXBMFYSA-N 1 0 375.900 3.979 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000246932852 891346269 /nfs/dbraw/zinc/34/62/69/891346269.db2.gz IMFUNHJWLBXHPY-HTAPYJJXSA-N 1 0 396.510 3.805 10 0 GHAERO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(-c2ccccc2)o1 ZINC000248423175 891434965 /nfs/dbraw/zinc/43/49/65/891434965.db2.gz DOUUJNJUXMDZKO-OXQOHEQNSA-N 1 0 390.487 3.685 10 0 GHAERO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@H](c3cccs3)c3ncc[nH]3)C2)c1 ZINC000248833300 891473473 /nfs/dbraw/zinc/47/34/73/891473473.db2.gz FYQWBWHOTYNISD-MGPUTAFESA-N 1 0 398.532 3.694 10 0 GHAERO CCCOc1cc(OC)ccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248882136 891477795 /nfs/dbraw/zinc/47/77/95/891477795.db2.gz GKQUVJNSWLWUJL-DYESRHJHSA-N 1 0 397.519 3.519 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)C1(Cc2ccccc2F)CC1 ZINC000249139653 891498450 /nfs/dbraw/zinc/49/84/50/891498450.db2.gz XNMXBGJIUZWRJO-LAUBAEHRSA-N 1 0 381.495 3.570 10 0 GHAERO Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cs1 ZINC000251690666 891638143 /nfs/dbraw/zinc/63/81/43/891638143.db2.gz HZBMAPKEKKQJQH-ZTNFWEORSA-N 1 0 399.564 3.604 10 0 GHAERO CSc1ccc(Cl)cc1NC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333116219 899973602 /nfs/dbraw/zinc/97/36/02/899973602.db2.gz HKNQSEGTCJZVGX-RHSMWYFYSA-N 1 0 383.945 3.812 10 0 GHAERO Cc1cc(NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1OC1CCOCC1 ZINC000333237826 900058542 /nfs/dbraw/zinc/05/85/42/900058542.db2.gz ZLMOSCJBVHEXFC-FQEVSTJZSA-N 1 0 387.524 3.549 10 0 GHAERO C[C@@H](NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ncc(C(=O)[O-])s1 ZINC000703532016 977168605 /nfs/dbraw/zinc/16/86/05/977168605.db2.gz RVAMSOZMCYQEJG-WBVHZDCISA-N 1 0 385.533 3.794 10 0 GHAERO CCn1nc(C(=O)N(C)Cc2ccco2)c2c1CC[C@@H]([NH+]1CCCCCC1)C2 ZINC000014745524 207027260 /nfs/dbraw/zinc/02/72/60/207027260.db2.gz WTBYLVDKWMACMR-QGZVFWFLSA-N 1 0 384.524 3.502 10 0 GHAERO COc1cccc2c1OCC(C[NH2+][C@@H]1CCCc3c1cnn3-c1ccccn1)=C2 ZINC000015064979 207043399 /nfs/dbraw/zinc/04/33/99/207043399.db2.gz AYDLZZKJYYLPQG-LJQANCHMSA-N 1 0 388.471 3.719 10 0 GHAERO COc1cc(C[NH2+]C[C@@H](C)O)cc(Br)c1OCc1ccc(C)cc1 ZINC000020873836 207217182 /nfs/dbraw/zinc/21/71/82/207217182.db2.gz IWDNVYZNBCBXAR-CQSZACIVSA-N 1 0 394.309 3.816 10 0 GHAERO 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CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCc3ncc(C(F)(F)F)cc31)CC2 ZINC000330309124 862823892 /nfs/dbraw/zinc/82/38/92/862823892.db2.gz MRVRRROIHIHSNH-BBRMVZONSA-N 1 0 379.430 3.797 10 0 GHAERO Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000131085232 857653011 /nfs/dbraw/zinc/65/30/11/857653011.db2.gz RJJRKIBLJGKXNI-IBGZPJMESA-N 1 0 394.581 3.520 10 0 GHAERO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC(c4cc[nH]n4)CC3)cc2)CC1 ZINC000156044582 859615635 /nfs/dbraw/zinc/61/56/35/859615635.db2.gz WJLVHCBBLZNXCW-UHFFFAOYSA-N 1 0 395.551 3.731 10 0 GHAERO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@H]2c2cnn(C)c2)CC1 ZINC000171458397 860425879 /nfs/dbraw/zinc/42/58/79/860425879.db2.gz ZCOPEXAODNUJHU-QFIPXVFZSA-N 1 0 395.551 3.699 10 0 GHAERO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000102940495 860910214 /nfs/dbraw/zinc/91/02/14/860910214.db2.gz XPPWFQFAPLRQDC-ROUUACIJSA-N 1 0 397.475 3.692 10 0 GHAERO Cn1nccc1[C@H]1[C@H]([NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CCC(=O)N1C1CC1 ZINC000329063200 860986640 /nfs/dbraw/zinc/98/66/40/860986640.db2.gz ZTRVAGCGHVSLFT-LTLLVOOCSA-N 1 0 392.547 3.715 10 0 GHAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000103309152 863952338 /nfs/dbraw/zinc/95/23/38/863952338.db2.gz SUMBCCNTFKXBKE-GOTSBHOMSA-N 1 0 388.515 3.643 10 0 GHAERO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](c2ccccc2)c2ccncc2)C1 ZINC000103309820 863952799 /nfs/dbraw/zinc/95/27/99/863952799.db2.gz OSBJOUNAXFBXCR-NQIIRXRSSA-N 1 0 380.536 3.981 10 0 GHAERO CCC[NH+]1CCC(CNC(=O)N2CCO[C@@H](c3ccccc3Cl)C2)CC1 ZINC000103613474 864031455 /nfs/dbraw/zinc/03/14/55/864031455.db2.gz FQJGIQUQIGUIHV-LJQANCHMSA-N 1 0 379.932 3.545 10 0 GHAERO CC[NH+](CC)[C@@H](C(=O)N1CCC(c2nnc3ccccn32)CC1)c1ccccc1 ZINC000104138734 864159627 /nfs/dbraw/zinc/15/96/27/864159627.db2.gz NTRPLJRZGBWBQI-OAQYLSRUSA-N 1 0 391.519 3.518 10 0 GHAERO Cn1cc(C2CCN(Cc3csc(-c4ccc5c(c4)OCO5)n3)CC2)cn1 ZINC000102400587 865117386 /nfs/dbraw/zinc/11/73/86/865117386.db2.gz FOZVFHFLYGYIIT-UHFFFAOYSA-N 1 0 382.489 3.652 10 0 GHAERO CCCn1ccc2ccc(NC(=O)N3CCC([N@@H+]4CCO[C@H](C)C4)CC3)cc21 ZINC000173468424 882364037 /nfs/dbraw/zinc/36/40/37/882364037.db2.gz WVVSBCDHJVFZGU-QGZVFWFLSA-N 1 0 384.524 3.768 10 0 GHAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)Nc3cc(Cl)ccc3Cl)C2)CC1 ZINC000174369740 882458596 /nfs/dbraw/zinc/45/85/96/882458596.db2.gz HULMVQHXMGZJIW-HNNXBMFYSA-N 1 0 385.339 3.627 10 0 GHAERO Cc1cccc(OCCCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000116245341 873366461 /nfs/dbraw/zinc/36/64/61/873366461.db2.gz YBXZGXJAVXHZIC-SIKLNZKXSA-N 1 0 381.520 3.576 10 0 GHAERO CC(C)COc1ccc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000116242665 873366957 /nfs/dbraw/zinc/36/69/57/873366957.db2.gz DCSNIVLWTLQURW-CVDCTZTESA-N 1 0 395.547 3.686 10 0 GHAERO Cc1cccc(OCCCCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000116249496 873370303 /nfs/dbraw/zinc/37/03/03/873370303.db2.gz YOYVZHVXSVCJRN-NZQKXSOJSA-N 1 0 395.547 3.966 10 0 GHAERO C[C@@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1ccc(OCc2nccn2C)cc1 ZINC000180396149 883055560 /nfs/dbraw/zinc/05/55/60/883055560.db2.gz PLZBTLGVBZKMGZ-UZLBHIALSA-N 1 0 390.487 3.776 10 0 GHAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)N[C@@H](c3cccs3)C(C)(C)C)C2)CC1 ZINC000180411119 883057387 /nfs/dbraw/zinc/05/73/87/883057387.db2.gz RWNSEKFEGKUKIW-HKUYNNGSSA-N 1 0 392.613 3.647 10 0 GHAERO Cc1cc(C(=O)N2CCC(Cc3nccn3C)CC2)nn1-c1cc(C)cc(C)c1 ZINC000180766859 883098888 /nfs/dbraw/zinc/09/88/88/883098888.db2.gz GHJZMEQNLRRWJO-UHFFFAOYSA-N 1 0 391.519 3.626 10 0 GHAERO CCC(CC)n1nc(C)cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000180858811 883103508 /nfs/dbraw/zinc/10/35/08/883103508.db2.gz JYDWFPIXUUNTHB-OXJNMPFZSA-N 1 0 383.540 3.588 10 0 GHAERO Cc1ccc(OC2CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CC2)nc1 ZINC000180861607 883103398 /nfs/dbraw/zinc/10/33/98/883103398.db2.gz IQRNQILTSHJFEF-UHFFFAOYSA-N 1 0 379.504 3.669 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)CC3(CSc4ccccc4)CC3)CC2)CCO1 ZINC000184175285 883327575 /nfs/dbraw/zinc/32/75/75/883327575.db2.gz FIBDCWRZBNRRHG-GOSISDBHSA-N 1 0 388.577 3.661 10 0 GHAERO CC(C)c1ccc(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cc1F ZINC000186774202 883711462 /nfs/dbraw/zinc/71/14/62/883711462.db2.gz KMGBKTYICNXMSX-UHFFFAOYSA-N 1 0 376.520 3.629 10 0 GHAERO Cc1ccc(C(=O)NCC2CC2)cc1NC1CC[NH+](Cc2cccnc2)CC1 ZINC000187328562 883770288 /nfs/dbraw/zinc/77/02/88/883770288.db2.gz SRDOQQIQDQQZEV-UHFFFAOYSA-N 1 0 378.520 3.606 10 0 GHAERO CC(=O)N1CCN(Cc2cccc(NC3CC[NH+](C4CCCCC4)CC3)c2)CC1 ZINC000188551367 883857118 /nfs/dbraw/zinc/85/71/18/883857118.db2.gz FRTGORKJGHLJJN-UHFFFAOYSA-N 1 0 398.595 3.560 10 0 GHAERO NC(=O)[C@@H]([NH2+]CCCCOCc1ccccc1)c1ccc(Br)cc1 ZINC000105402117 884753225 /nfs/dbraw/zinc/75/32/25/884753225.db2.gz PGFABXWCCXPPKE-SFHVURJKSA-N 1 0 391.309 3.562 10 0 GHAERO CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000106164281 886027093 /nfs/dbraw/zinc/02/70/93/886027093.db2.gz JYFHVCWGEFIOSW-QGZVFWFLSA-N 1 0 382.552 3.827 10 0 GHAERO Cn1nc(-c2ccccc2)c(C[NH+]2CCC(Nc3cccnn3)CC2)c1Cl ZINC000120326260 886512911 /nfs/dbraw/zinc/51/29/11/886512911.db2.gz WISWPXVVHIJTTC-UHFFFAOYSA-N 1 0 382.899 3.607 10 0 GHAERO C[C@H](c1cccc(Br)c1)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000125776724 886899370 /nfs/dbraw/zinc/89/93/70/886899370.db2.gz CJUBZZHVTQDAQV-CQSZACIVSA-N 1 0 378.314 3.579 10 0 GHAERO CN1CCC([NH+]2CCC(NC(=O)N[C@H](c3cccs3)C(C)(C)C)CC2)CC1 ZINC000051777871 887783299 /nfs/dbraw/zinc/78/32/99/887783299.db2.gz ISMPQIYONWAVCQ-LJQANCHMSA-N 1 0 392.613 3.693 10 0 GHAERO Cc1ccc(NC(=O)[C@H](C)N2CCC([NH+]3CCCC3)CC2)c(Br)c1 ZINC000051953128 887799828 /nfs/dbraw/zinc/79/98/28/887799828.db2.gz NNTSDMIXXWBBTP-HNNXBMFYSA-N 1 0 394.357 3.645 10 0 GHAERO CC(C)Sc1ccccc1NC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000135352416 888230801 /nfs/dbraw/zinc/23/08/01/888230801.db2.gz HNDMJZCTUGZYBN-MRXNPFEDSA-N 1 0 377.554 3.904 10 0 GHAERO COc1ccc(Cl)cc1/C=C/C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000058497508 888438195 /nfs/dbraw/zinc/43/81/95/888438195.db2.gz NHBXKYRRRUTZDU-GORDUTHDSA-N 1 0 385.895 3.538 10 0 GHAERO Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3CCC[N@@H+](C4CC4)CC3)c12 ZINC000061604937 888492049 /nfs/dbraw/zinc/49/20/49/888492049.db2.gz KGLKDOFNBYAQRX-UHFFFAOYSA-N 1 0 394.450 3.648 10 0 GHAERO O=C(c1ccccc1F)N1CCC([NH2+][C@@H](c2cccs2)c2ncc[nH]2)CC1 ZINC000194982985 888635740 /nfs/dbraw/zinc/63/57/40/888635740.db2.gz RIINXRDNGZZPOC-SFHVURJKSA-N 1 0 384.480 3.594 10 0 GHAERO O=C(c1ccccc1F)N1CCC([NH2+][C@H](c2cccs2)c2ncc[nH]2)CC1 ZINC000194982998 888635949 /nfs/dbraw/zinc/63/59/49/888635949.db2.gz RIINXRDNGZZPOC-GOSISDBHSA-N 1 0 384.480 3.594 10 0 GHAERO CC(C)Cn1cc(C(F)F)c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)n1 ZINC000245667660 889193638 /nfs/dbraw/zinc/19/36/38/889193638.db2.gz HKJHWVMBTWFOPQ-AEFFLSMTSA-N 1 0 376.451 3.652 10 0 GHAERO COCCC1(CNC(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000245736114 889567782 /nfs/dbraw/zinc/56/77/82/889567782.db2.gz UTVPWAQYJNCIAA-CRAIPNDOSA-N 1 0 397.922 3.588 10 0 GHAERO COC[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000245976887 890118466 /nfs/dbraw/zinc/11/84/66/890118466.db2.gz GKBMJTAZCDYQDP-RVHYNSKXSA-N 1 0 375.463 3.548 10 0 GHAERO COc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)ccc1OCc1ccncc1 ZINC000246131126 890445136 /nfs/dbraw/zinc/44/51/36/890445136.db2.gz OYTGTECTWHPBBU-STZQEDGTSA-N 1 0 380.488 3.716 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)/C=C/c1ccnc2ccccc12 ZINC000246687147 891298003 /nfs/dbraw/zinc/29/80/03/891298003.db2.gz JTXDNGLBTLLJKJ-KHXZYRMHSA-N 1 0 386.499 3.670 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1nc2ccccc2s1 ZINC000246974740 891327159 /nfs/dbraw/zinc/32/71/59/891327159.db2.gz KLDDFRJUZPVHMK-GDBMZVCRSA-N 1 0 381.505 3.723 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N1CC=C(c2ccccc2)CC1 ZINC000246980165 891328335 /nfs/dbraw/zinc/32/83/35/891328335.db2.gz KVTMUFJGXXUWFO-AUSIDOKSSA-N 1 0 390.531 3.791 10 0 GHAERO CCCOc1c(C[N@@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)cccc1OCC ZINC000247280128 891361815 /nfs/dbraw/zinc/36/18/15/891361815.db2.gz YNTILLGKCHRPDD-FXAWDEMLSA-N 1 0 387.524 3.553 10 0 GHAERO c1coc(-c2nnc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)o2)c1 ZINC000247923455 891400743 /nfs/dbraw/zinc/40/07/43/891400743.db2.gz BKAKVVNBOFDGSA-RBUKOAKNSA-N 1 0 378.476 3.816 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(-c2cncnc2)cc1F ZINC000248514382 891424058 /nfs/dbraw/zinc/42/40/58/891424058.db2.gz DWYXGODOJKUQPD-OPAMFIHVSA-N 1 0 390.462 3.533 10 0 GHAERO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000248546897 891426844 /nfs/dbraw/zinc/42/68/44/891426844.db2.gz FXQZWNGIKMVCEQ-LEWJYISDSA-N 1 0 390.543 3.998 10 0 GHAERO Cc1c(-c2cc(CN(C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)on2)cnn1C ZINC000248633134 891448203 /nfs/dbraw/zinc/44/82/03/891448203.db2.gz SZDPVOXNMHNSEK-FXAWDEMLSA-N 1 0 393.535 3.868 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c2ccc(F)cc2C1 ZINC000248775785 891468158 /nfs/dbraw/zinc/46/81/58/891468158.db2.gz ZASKTMWAADCBAC-YRUKQIKQSA-N 1 0 395.522 3.729 10 0 GHAERO CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1OCC ZINC000252444725 891686912 /nfs/dbraw/zinc/68/69/12/891686912.db2.gz ZTGJFSTWBYIEFH-YLJYHZDGSA-N 1 0 397.519 3.519 10 0 GHAERO Cc1c(NC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cccc1C(F)(F)F ZINC000333115594 899974003 /nfs/dbraw/zinc/97/40/03/899974003.db2.gz HGDKZCAUAZIAPL-NVXWUHKLSA-N 1 0 385.430 3.764 10 0 GHAERO [NH3+][C@@H]1CCC[C@H]2CN(c3ccc(-c4ccc(Br)s4)nn3)C[C@H]21 ZINC000333128658 899985761 /nfs/dbraw/zinc/98/57/61/899985761.db2.gz AQLSGYNXZVNIAK-QJPTWQEYSA-N 1 0 379.327 3.531 10 0 GHAERO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2F)CC1 ZINC000333200144 900031178 /nfs/dbraw/zinc/03/11/78/900031178.db2.gz XMDYMPBMUGBILC-HOCLYGCPSA-N 1 0 389.393 3.595 10 0 GHAERO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333373342 902044536 /nfs/dbraw/zinc/04/45/36/902044536.db2.gz VKGDWXAQBDWDOA-CYBMUJFWSA-N 1 0 393.944 3.798 10 0 GHAERO Cc1nc([C@@H]2CCCN2C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cs1 ZINC000186754393 907980884 /nfs/dbraw/zinc/98/08/84/907980884.db2.gz GZWOCIUPEKUNNX-ZWKOTPCHSA-N 1 0 376.501 3.740 10 0 GHAERO C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@]12Cc1c(c3c(cc1O)C(=[NH2+])NC3)O2 ZINC000252516946 206281474 /nfs/dbraw/zinc/28/14/74/206281474.db2.gz YFEDMPPDOYSQSZ-QSNYVGRISA-N 1 0 384.520 3.728 10 0 GHAERO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=O)c1cn(C3CCCCC3)c3ccccc3c1=O)C2 ZINC000255999021 206286528 /nfs/dbraw/zinc/28/65/28/206286528.db2.gz RFXHBILZLMJCSN-LUPIEILUSA-N 1 0 393.531 3.862 10 0 in-man GHAERO CC(C)(C)OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)[C@H](CO)[C@H]1c1ccc(F)cc1 ZINC000022009088 207245259 /nfs/dbraw/zinc/24/52/59/207245259.db2.gz SUZJXSBOLSKTGP-NJYVYQBISA-N 1 0 385.479 3.744 10 0 GHAERO CN(CC(=O)N1CCCC[C@@H]1C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000029043518 207352794 /nfs/dbraw/zinc/35/27/94/207352794.db2.gz XHZAKZVOUFLKSH-MRXNPFEDSA-N 1 0 384.351 3.907 10 0 GHAERO Cc1ccc([C@](C(=O)c2ccccc2)([C@H](C)CN2CCOCC2)[NH+](C)C)cc1 ZINC000096346634 208310802 /nfs/dbraw/zinc/31/08/02/208310802.db2.gz QYAQXEYNEKWMSN-YKSBVNFPSA-N 1 0 380.532 3.603 10 0 GHAERO CCn1ncc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccccc3OC)C2)c1C ZINC000011843108 570587780 /nfs/dbraw/zinc/58/77/80/570587780.db2.gz ZMMDWGOBHPYYDS-FQEVSTJZSA-N 1 0 384.568 3.607 10 0 GHAERO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)c3n[nH]c4ccc(Cl)cc43)C1)CCCC2 ZINC000329480408 835109319 /nfs/dbraw/zinc/10/93/19/835109319.db2.gz CYSSMZUFWHXZSZ-AWEZNQCLSA-N 1 0 383.883 3.687 10 0 GHAERO O=C(CN1CCC[C@H]2C(=O)NC[C@H]21)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000328695562 838674640 /nfs/dbraw/zinc/67/46/40/838674640.db2.gz DCJNYUZOQSJPDY-XOKHGSTOSA-N 1 0 396.318 3.708 10 0 GHAERO C[C@H](c1nc(-c2cccs2)no1)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000328752917 840254564 /nfs/dbraw/zinc/25/45/64/840254564.db2.gz NMRJNELWQURJSC-OWCLPIDISA-N 1 0 390.553 3.680 10 0 GHAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c21 ZINC000247127996 840275825 /nfs/dbraw/zinc/27/58/25/840275825.db2.gz JIBUGYYYJSTVJW-HOCLYGCPSA-N 1 0 396.535 3.998 10 0 GHAERO CCOc1cc(/C=C\C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)ccc1O ZINC000588412212 841397183 /nfs/dbraw/zinc/39/71/83/841397183.db2.gz NAWFRYCGXZSZCI-BENRWUELSA-N 1 0 380.488 3.716 10 0 GHAERO C[C@@]12CCC[N@@H+]1C[C@H](c1noc(-c3cc(Br)ccc3F)n1)OC2 ZINC000329695854 862100356 /nfs/dbraw/zinc/10/03/56/862100356.db2.gz XRGREAPYHVYXAS-CJNGLKHVSA-N 1 0 382.233 3.564 10 0 GHAERO COc1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@H](C)CC[C@@H]3O)o2)cc1 ZINC000329823495 862347431 /nfs/dbraw/zinc/34/74/31/862347431.db2.gz QJKOFYDJAGUZJD-NMLACTOBSA-N 1 0 385.508 3.897 10 0 GHAERO Cc1ccc(NC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c(Br)c1 ZINC000333948325 853259659 /nfs/dbraw/zinc/25/96/59/853259659.db2.gz WFSILHJCRZFERS-NVXWUHKLSA-N 1 0 396.329 3.508 10 0 GHAERO COc1ccc([C@@H]2CCCCCN2C(=O)C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)cc1 ZINC000328874312 854592516 /nfs/dbraw/zinc/59/25/16/854592516.db2.gz FNPREQLTQPJYAL-JTAQYXEDSA-N 1 0 399.535 3.626 10 0 GHAERO Cc1nc([C@@H]2CCCCCN2C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)no1 ZINC000329044210 860972241 /nfs/dbraw/zinc/97/22/41/860972241.db2.gz PHBQZCATUXZQHA-AHRSYUTCSA-N 1 0 382.508 3.590 10 0 GHAERO Cc1nc2sc3c(c2c(NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)n1)CCC3 ZINC000329224334 861167070 /nfs/dbraw/zinc/16/70/70/861167070.db2.gz ZMPVBTQMYDPXQY-IFXJQAMLSA-N 1 0 396.564 3.717 10 0 GHAERO Cc1c2cc(Cl)ccc2oc1C(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000173284073 882346410 /nfs/dbraw/zinc/34/64/10/882346410.db2.gz NMTMRDWKSKTZPL-QGZVFWFLSA-N 1 0 389.927 3.637 10 0 GHAERO Cc1occc1C(=O)NC1CC[NH+](Cc2cccn2Cc2cccs2)CC1 ZINC000093009843 882476289 /nfs/dbraw/zinc/47/62/89/882476289.db2.gz JHUQWMWWCYCXCS-UHFFFAOYSA-N 1 0 383.517 3.894 10 0 GHAERO COc1cc(CN2CC[C@H](C[NH+]3CCCC3)C2)ccc1OCc1c(C)noc1C ZINC000093604560 882568856 /nfs/dbraw/zinc/56/88/56/882568856.db2.gz KZCDKVNKABLQTL-HXUWFJFHSA-N 1 0 399.535 3.797 10 0 GHAERO CC[C@H](NC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1nccs1 ZINC000177540055 882811735 /nfs/dbraw/zinc/81/17/35/882811735.db2.gz UMGPHCFSNKMWDL-NUJGCVRESA-N 1 0 394.585 3.515 10 0 GHAERO O=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000124570008 874759601 /nfs/dbraw/zinc/75/96/01/874759601.db2.gz QSCXOFRQDXOVGU-VWNXMTODSA-N 1 0 399.579 3.899 10 0 GHAERO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(SCC(F)F)cc1 ZINC000178048545 882860176 /nfs/dbraw/zinc/86/01/76/882860176.db2.gz HLWORXGAJNQVBA-CYBMUJFWSA-N 1 0 375.448 3.870 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(Oc2cnccn2)c1 ZINC000179698244 883019448 /nfs/dbraw/zinc/01/94/48/883019448.db2.gz TXFPPJGNIAALOC-UTKZUKDTSA-N 1 0 375.476 3.986 10 0 GHAERO C[C@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1ccc(OCc2nccn2C)cc1 ZINC000180396125 883055346 /nfs/dbraw/zinc/05/53/46/883055346.db2.gz PLZBTLGVBZKMGZ-JXFKEZNVSA-N 1 0 390.487 3.776 10 0 GHAERO Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000180415940 883056301 /nfs/dbraw/zinc/05/63/01/883056301.db2.gz OWKLXYDRMLCHHO-OALUTQOASA-N 1 0 398.551 3.614 10 0 GHAERO Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3c(Cl)n(C)nc3-c3ccccc3)C2)n1 ZINC000122018351 878228108 /nfs/dbraw/zinc/22/81/08/878228108.db2.gz SDXVNXCQXXQEKN-KRWDZBQOSA-N 1 0 398.942 3.861 10 0 GHAERO C[C@H]([NH2+]CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1ccncc1 ZINC000181588844 883165251 /nfs/dbraw/zinc/16/52/51/883165251.db2.gz DRXDAJMDDLHCJE-AOMKIAJQSA-N 1 0 377.513 3.968 10 0 GHAERO CCn1cc(NC(=O)C2CC[NH+](Cc3c(C)cc(C)c(C(C)=O)c3C)CC2)cn1 ZINC000063516883 883992327 /nfs/dbraw/zinc/99/23/27/883992327.db2.gz XKKGRVOYJPQTPP-UHFFFAOYSA-N 1 0 396.535 3.882 10 0 GHAERO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC2(CCOCC2)c2ccccc21 ZINC000190441717 884081588 /nfs/dbraw/zinc/08/15/88/884081588.db2.gz REFNBNINPUNZFL-HXUWFJFHSA-N 1 0 395.503 3.695 10 0 GHAERO Cc1cccc2c1OCC[C@@H]2NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000191219201 884163962 /nfs/dbraw/zinc/16/39/62/884163962.db2.gz KNAWNLUKTFEHCQ-UWJYYQICSA-N 1 0 394.519 3.738 10 0 GHAERO CN(C)C(=O)c1cccc(COc2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000105394073 884748023 /nfs/dbraw/zinc/74/80/23/884748023.db2.gz JBRYXZDLLGSWQO-UHFFFAOYSA-N 1 0 382.504 3.832 10 0 GHAERO CC(C)(C)[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)c1cccs1 ZINC000112213690 886252881 /nfs/dbraw/zinc/25/28/81/886252881.db2.gz JVWNPKGWWXTKKF-WMZOPIPTSA-N 1 0 379.570 3.589 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1CCC[C@@H]1c1ccccc1 ZINC000116568398 886365860 /nfs/dbraw/zinc/36/58/60/886365860.db2.gz XESBZJPLHVYBBK-BVYCBKJFSA-N 1 0 378.520 3.839 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000116568953 886367622 /nfs/dbraw/zinc/36/76/22/886367622.db2.gz BRUJFLMWIXTKIV-UZLBHIALSA-N 1 0 386.927 3.787 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cncc(-c2ccccc2)c1 ZINC000135617937 888252463 /nfs/dbraw/zinc/25/24/63/888252463.db2.gz RGCKNMYPWSQMIF-JPYJTQIMSA-N 1 0 386.499 3.784 10 0 GHAERO COc1ccccc1CC1CCN(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000105273194 888288504 /nfs/dbraw/zinc/28/85/04/888288504.db2.gz CIFWCZFWBJYXNQ-HXUWFJFHSA-N 1 0 387.568 3.780 10 0 GHAERO Cc1cccc2[nH]cc(CC[NH2+][C@H](C(N)=O)c3ccc(Br)cc3)c21 ZINC000105402520 888480736 /nfs/dbraw/zinc/48/07/36/888480736.db2.gz HZDGQNYARHHHKR-SFHVURJKSA-N 1 0 386.293 3.598 10 0 GHAERO Cc1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)cc1C(=O)N(C)C(C)C ZINC000193759821 888521902 /nfs/dbraw/zinc/52/19/02/888521902.db2.gz GZXJEVZVUZXBGL-UHFFFAOYSA-N 1 0 386.540 3.568 10 0 GHAERO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000245392095 888744256 /nfs/dbraw/zinc/74/42/56/888744256.db2.gz SJBBSYSFKAQKKC-GXTWGEPZSA-N 1 0 397.397 3.901 10 0 GHAERO C[C@H](C(=O)Nc1cccnc1Cl)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245445196 888778768 /nfs/dbraw/zinc/77/87/68/888778768.db2.gz KEABEWUKVIWLND-SJLPKXTDSA-N 1 0 386.927 3.516 10 0 GHAERO Cc1noc(C)c1CNC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245662353 889185353 /nfs/dbraw/zinc/18/53/53/889185353.db2.gz GISJLWXUJOXJKR-KDOFPFPSSA-N 1 0 394.878 3.576 10 0 GHAERO C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)[C@@H]1c1ccccc1 ZINC000245675788 889205253 /nfs/dbraw/zinc/20/52/53/889205253.db2.gz FUWJAUITRWLWKN-UBBRYJJRSA-N 1 0 378.520 3.695 10 0 GHAERO Cc1cc(C[N@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)ccc1Oc1cccnc1 ZINC000245722759 889452386 /nfs/dbraw/zinc/45/23/86/889452386.db2.gz DMNFWHMCYVEOSB-SIKLNZKXSA-N 1 0 392.503 3.861 10 0 GHAERO C[N@@H+]1CC[C@@H](CNC(=O)NCCCC(C)(C)CO)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245735472 889564796 /nfs/dbraw/zinc/56/47/96/889564796.db2.gz UQTJRCJXILZDQB-YJBOKZPZSA-N 1 0 399.938 3.570 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCc1cn(C)c2ccccc12 ZINC000246215499 890708665 /nfs/dbraw/zinc/70/86/65/890708665.db2.gz UGLBBBFFDMPCFJ-PGRDOPGGSA-N 1 0 390.531 3.533 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1cccc(-c2ncco2)c1 ZINC000246233211 890790065 /nfs/dbraw/zinc/79/00/65/890790065.db2.gz WUTDYQUSZVJFTJ-OXQOHEQNSA-N 1 0 391.475 3.769 10 0 GHAERO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(Cl)cc1F ZINC000246289364 890945942 /nfs/dbraw/zinc/94/59/42/890945942.db2.gz BINQEWFKDIPYDY-AUUYWEPGSA-N 1 0 375.875 3.823 10 0 GHAERO C[C@H](CCc1ccccc1F)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000246739890 891302924 /nfs/dbraw/zinc/30/29/24/891302924.db2.gz GBTFMONBFSYKTC-KGVIQGDOSA-N 1 0 383.511 3.816 10 0 GHAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)[C@H]3C[C@H]3c3ccc4ccccc4c3)C2)CC1 ZINC000246981178 891328267 /nfs/dbraw/zinc/32/82/67/891328267.db2.gz QKDTXRYAZPPNBV-SGNDLWITSA-N 1 0 391.559 3.572 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N[C@H]1CCCOc2ccccc21 ZINC000247053375 891337570 /nfs/dbraw/zinc/33/75/70/891337570.db2.gz OQPAVFYWRWHLGB-QMMLZNLJSA-N 1 0 394.519 3.505 10 0 GHAERO Cc1sc(-c2ccco2)nc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247291790 891362889 /nfs/dbraw/zinc/36/28/89/891362889.db2.gz UEMXPXONPQWRJZ-RHSMWYFYSA-N 1 0 396.516 3.747 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Cc1c(Cl)cccc1Cl ZINC000247109377 891369622 /nfs/dbraw/zinc/36/96/22/891369622.db2.gz FTKSMKMJTFGZLA-AUUYWEPGSA-N 1 0 392.330 3.958 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000247449869 891377484 /nfs/dbraw/zinc/37/74/84/891377484.db2.gz OVCQVIBCVGYKIO-FHJKJHCTSA-N 1 0 389.543 3.702 10 0 GHAERO CSc1cnn(-c2ccccc2)c1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247543086 891382822 /nfs/dbraw/zinc/38/28/22/891382822.db2.gz QEMQYJZXQXSSEU-DOTOQJQBSA-N 1 0 385.537 3.542 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1cc(Cl)ccc1F ZINC000247573557 891388558 /nfs/dbraw/zinc/38/85/58/891388558.db2.gz XBYOYBLFSBZFNR-SUMWQHHRSA-N 1 0 376.863 3.906 10 0 GHAERO C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(NC(=O)C3CC3)c2)[C@H]1c1ccccc1 ZINC000248035540 891407647 /nfs/dbraw/zinc/40/76/47/891407647.db2.gz LASIYVOMFCAOSJ-VQTJNVASSA-N 1 0 378.476 3.602 10 0 GHAERO C[N@@H+]1CC[C@H](NC(=O)c2ccccc2COC2CCOCC2)[C@H]1c1ccccc1 ZINC000248146517 891412275 /nfs/dbraw/zinc/41/22/75/891412275.db2.gz ZRMXNGUUCXEYAJ-XZOQPEGZSA-N 1 0 394.515 3.557 10 0 GHAERO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000248372674 891420569 /nfs/dbraw/zinc/42/05/69/891420569.db2.gz BQTJPLCODVJYHI-JGTCGTHISA-N 1 0 382.426 3.970 10 0 GHAERO Cc1n[nH]c(C)c1[C@H](C)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248460627 891438558 /nfs/dbraw/zinc/43/85/58/891438558.db2.gz SVMAYPBQDFAKFA-LLJZQGTPSA-N 1 0 392.906 3.732 10 0 GHAERO CCCc1c(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000248734787 891463320 /nfs/dbraw/zinc/46/33/20/891463320.db2.gz BUCWHAVXNNGQDJ-MAUKXSAKSA-N 1 0 387.503 3.910 10 0 GHAERO Cn1c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nnc1-c1ccc(Cl)cc1 ZINC000248806252 891471677 /nfs/dbraw/zinc/47/16/77/891471677.db2.gz ZYEHKUASJCFIKD-LPHOPBHVSA-N 1 0 385.943 3.584 10 0 GHAERO CCOC1CC(CCNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000248865792 891476437 /nfs/dbraw/zinc/47/64/37/891476437.db2.gz BYPUDAWQKVXRNK-YOLZPYMBSA-N 1 0 387.568 3.886 10 0 GHAERO CN1CC[C@H](C[NH2+]Cc2cn(C(C)(C)C)nn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000249336730 891503586 /nfs/dbraw/zinc/50/35/86/891503586.db2.gz CUSZGFLGEQZBJJ-KDOFPFPSSA-N 1 0 379.911 3.608 10 0 GHAERO CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1OCC ZINC000252444724 891686444 /nfs/dbraw/zinc/68/64/44/891686444.db2.gz ZTGJFSTWBYIEFH-XLIONFOSSA-N 1 0 397.519 3.519 10 0 GHAERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)NCC1(C)CCCCCC1 ZINC000333087408 899949783 /nfs/dbraw/zinc/94/97/83/899949783.db2.gz YRRKVAKIURRPIW-AZUAARDMSA-N 1 0 389.588 3.805 10 0 GHAERO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)Nc2cccc(OC3CCCC3)c2)CC1 ZINC000333197376 900029112 /nfs/dbraw/zinc/02/91/12/900029112.db2.gz WPEDXKBSDXKNDV-SFTDATJTSA-N 1 0 387.524 3.758 10 0 GHAERO Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333284073 901971644 /nfs/dbraw/zinc/97/16/44/901971644.db2.gz MZIGHDMDLIHVHB-UHFFFAOYSA-N 1 0 381.524 3.838 10 0 GHAERO [NH3+][C@@H]1CCCO[C@H]1C1CCN(c2nccc3cc(Br)ccc32)CC1 ZINC000333497347 902136664 /nfs/dbraw/zinc/13/66/64/902136664.db2.gz FAXUWJFFRNOHQS-MSOLQXFVSA-N 1 0 390.325 3.720 10 0 GHAERO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2cnc(N3CCCC3)s2)C1 ZINC000019536029 207131160 /nfs/dbraw/zinc/13/11/60/207131160.db2.gz MGISVFHDRDYKLK-LJQANCHMSA-N 1 0 385.581 3.625 10 0 GHAERO Fc1ccccc1N1CCN([C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)CC1 ZINC000020295143 207186102 /nfs/dbraw/zinc/18/61/02/207186102.db2.gz DYNNZXOHWXQNEN-NRFANRHFSA-N 1 0 379.523 3.580 10 0 GHAERO O[C@H](C[NH2+]Cc1ccc(Br)s1)COc1cccc(Cl)c1 ZINC000037984933 207246345 /nfs/dbraw/zinc/24/63/45/207246345.db2.gz RKHYVRZBJBPJLD-LLVKDONJSA-N 1 0 376.703 3.694 10 0 GHAERO COCCC[N@@H+](Cc1ccc(F)cc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036095481 570535018 /nfs/dbraw/zinc/53/50/18/570535018.db2.gz OLGRWCBLJNVILU-IBGZPJMESA-N 1 0 381.875 3.758 10 0 GHAERO COc1cc(CN(C)[C@@H](C)c2nccs2)ccc1OCC[NH+]1CCCC1 ZINC000055413800 570695026 /nfs/dbraw/zinc/69/50/26/570695026.db2.gz HRGKRTWDDFYVCM-INIZCTEOSA-N 1 0 375.538 3.819 10 0 GHAERO CC(C)(C)OC(=O)N[C@H]1CC2(CC[NH2+]CC2)Oc2ccc(Br)cc21 ZINC000675071170 570906929 /nfs/dbraw/zinc/90/69/29/570906929.db2.gz WPTLRBNFMMMLJC-AWEZNQCLSA-N 1 0 397.313 3.920 10 0 GHAERO Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)c12 ZINC000113229029 837822162 /nfs/dbraw/zinc/82/21/62/837822162.db2.gz VJAGUJYOARLFFU-GUYCJALGSA-N 1 0 394.450 3.646 10 0 GHAERO Cc1noc2nc(-c3ccccc3)cc(C(=O)N3C[C@@H]4CCCC[N@H+]4C[C@@H]3C)c12 ZINC000329642877 835511169 /nfs/dbraw/zinc/51/11/69/835511169.db2.gz IQVKFIURNRVXBE-YJBOKZPZSA-N 1 0 390.487 3.897 10 0 GHAERO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000245842840 844084474 /nfs/dbraw/zinc/08/44/74/844084474.db2.gz HUAHNARCYDBBFR-AVRDEDQJSA-N 1 0 395.551 3.841 10 0 GHAERO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000106548344 841027345 /nfs/dbraw/zinc/02/73/45/841027345.db2.gz JZWLOFZYVJBBAU-WOJBJXKFSA-N 1 0 381.524 3.701 10 0 GHAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl ZINC000247394244 842151037 /nfs/dbraw/zinc/15/10/37/842151037.db2.gz MEIKYNCPGJDXPW-ZFWWWQNUSA-N 1 0 392.931 3.569 10 0 GHAERO CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000151502419 845227330 /nfs/dbraw/zinc/22/73/30/845227330.db2.gz OGOWVDCBSDZLGS-IJXRJRJASA-N 1 0 390.597 3.608 10 0 GHAERO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000332979008 845228739 /nfs/dbraw/zinc/22/87/39/845228739.db2.gz PFHGVCHAJRCACW-VLCRHTCISA-N 1 0 384.545 3.581 10 0 GHAERO CC1(C)C[C@@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c2ccccc2O1 ZINC000180362812 855444361 /nfs/dbraw/zinc/44/43/61/855444361.db2.gz NOXZJLDWJNLYHR-HXUWFJFHSA-N 1 0 394.519 3.900 10 0 GHAERO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000136581258 855513686 /nfs/dbraw/zinc/51/36/86/855513686.db2.gz YXUUNVWYQXAPQQ-FYYLOGMGSA-N 1 0 385.552 3.509 10 0 GHAERO Cc1ccc([C@@H]2CCCCN2C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)o1 ZINC000156163329 860360062 /nfs/dbraw/zinc/36/00/62/860360062.db2.gz AHCBVTXZUSAVGC-UFYCRDLUSA-N 1 0 389.540 3.593 10 0 GHAERO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@H]3c3cnn(C)c3)cc2)CC1 ZINC000171456176 860425860 /nfs/dbraw/zinc/42/58/60/860425860.db2.gz PRYKMDBYYXQNFF-QFIPXVFZSA-N 1 0 395.551 3.699 10 0 GHAERO COc1ccc([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1F ZINC000102699652 860822103 /nfs/dbraw/zinc/82/21/03/860822103.db2.gz SNHCHUWNJBSJFQ-CYBMUJFWSA-N 1 0 396.409 3.745 10 0 GHAERO Cc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c2cccs2)cc1 ZINC000248165949 864848139 /nfs/dbraw/zinc/84/81/39/864848139.db2.gz SXRWBNSEVLBXRQ-AJSBUHFISA-N 1 0 398.572 3.889 10 0 GHAERO C[C@@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1cccc(-n2ccnc2)c1 ZINC000173453869 865646572 /nfs/dbraw/zinc/64/65/72/865646572.db2.gz HALZRJWEILHKLC-WIYYLYMNSA-N 1 0 381.524 3.593 10 0 GHAERO C[NH+](C)C1CCN(C(=O)C2(c3cccc(Br)c3)CCCC2)CC1 ZINC000101960649 866476521 /nfs/dbraw/zinc/47/65/21/866476521.db2.gz LWKCMQZYLVZZLI-UHFFFAOYSA-N 1 0 379.342 3.814 10 0 GHAERO CN(C)c1nc(-c2ccccc2)c(C[NH2+]Cc2cccnc2-n2ccnc2)s1 ZINC000171246308 882091178 /nfs/dbraw/zinc/09/11/78/882091178.db2.gz KUTZFMWNGZWRJC-UHFFFAOYSA-N 1 0 390.516 3.747 10 0 GHAERO Cc1nc(COc2ccccc2/C=C/C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cs1 ZINC000171444462 882126690 /nfs/dbraw/zinc/12/66/90/882126690.db2.gz JXSFUDWXVGGBKT-IBDYFIJFSA-N 1 0 397.544 3.740 10 0 GHAERO CC(C)c1nn(C)c(Cl)c1C(=O)N1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000367209449 868283033 /nfs/dbraw/zinc/28/30/33/868283033.db2.gz QGESFRZNFRCVTL-AWEZNQCLSA-N 1 0 378.948 3.533 10 0 GHAERO O=C(NC1CC[NH+](Cc2ccncc2)CC1)N1CC=C(c2cccs2)CC1 ZINC000172224010 882188702 /nfs/dbraw/zinc/18/87/02/882188702.db2.gz AJUKRSYXZWJIEA-UHFFFAOYSA-N 1 0 382.533 3.606 10 0 GHAERO CCc1cccc2c(CC(=O)N[C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)c[nH]c21 ZINC000116242728 873365752 /nfs/dbraw/zinc/36/57/52/873365752.db2.gz JGMPHRVBCXQLLD-JTSKRJEESA-N 1 0 390.531 3.695 10 0 GHAERO Cc1nc(-c2ccco2)ccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116247070 873368090 /nfs/dbraw/zinc/36/80/90/873368090.db2.gz LMQKTIWWKBXQBT-OXJNMPFZSA-N 1 0 390.487 3.685 10 0 GHAERO Cc1cccc2[nH]c(CCC(=O)N(C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)nc21 ZINC000177656394 882840193 /nfs/dbraw/zinc/84/01/93/882840193.db2.gz IAXAONCGAWOTGJ-FQEVSTJZSA-N 1 0 390.531 3.784 10 0 GHAERO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1cc(Cl)ccc1OC(F)F ZINC000178055320 882861327 /nfs/dbraw/zinc/86/13/27/882861327.db2.gz NSIMRSZCPNJEKR-LLVKDONJSA-N 1 0 379.798 3.768 10 0 GHAERO C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccc4c(c3)CC(C)(C)O4)cn2)C[C@H](C)O1 ZINC000105419220 875290829 /nfs/dbraw/zinc/29/08/29/875290829.db2.gz CCVNQAHYPBLVFH-CALCHBBNSA-N 1 0 381.520 3.699 10 0 GHAERO CC(C)c1ccc(C2(O)CCC([NH2+]Cc3cccnc3-n3cncn3)CC2)cc1 ZINC000179565220 883009864 /nfs/dbraw/zinc/00/98/64/883009864.db2.gz HLVCAYNSCCHLPF-UHFFFAOYSA-N 1 0 391.519 3.706 10 0 GHAERO CC[C@@H](NC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1)c1cccc(Cl)c1 ZINC000180390776 883053199 /nfs/dbraw/zinc/05/31/99/883053199.db2.gz PVWGAKPVHHXKNB-VQTJNVASSA-N 1 0 392.975 3.603 10 0 GHAERO Cc1ccc(C(=O)CCCC(=O)NC2CCN(c3cccc(C)n3)CC2)cc1 ZINC000184425112 883333491 /nfs/dbraw/zinc/33/34/91/883333491.db2.gz CEIDSHXEWVGWLA-UHFFFAOYSA-N 1 0 379.504 3.837 10 0 GHAERO C[C@@H](NCc1ncc(-c2ccccc2)cn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000186054842 883607505 /nfs/dbraw/zinc/60/75/05/883607505.db2.gz RFOSJJWZXRWRRQ-GOSISDBHSA-N 1 0 376.504 3.935 10 0 GHAERO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186384575 883652026 /nfs/dbraw/zinc/65/20/26/883652026.db2.gz MYPKZODXDDIWNV-UWJYYQICSA-N 1 0 381.520 3.727 10 0 GHAERO CN1Cc2cc(NC(=O)N3CCC[C@H](C[NH+]4CCCCCC4)C3)ccc2NC1=O ZINC000186691666 883688078 /nfs/dbraw/zinc/68/80/78/883688078.db2.gz BOCOJYHAHUZBNG-QGZVFWFLSA-N 1 0 399.539 3.784 10 0 GHAERO C[C@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1ncc(Br)cc1F ZINC000187315770 883768444 /nfs/dbraw/zinc/76/84/44/883768444.db2.gz KPIPPIPTOWLFMA-GXFFZTMASA-N 1 0 378.245 3.760 10 0 GHAERO COc1cc(C[NH+]2CCC(Nc3nccs3)CC2)ccc1OC(=O)C1CC1 ZINC000189953710 884026061 /nfs/dbraw/zinc/02/60/61/884026061.db2.gz YTZMCQUWCXYWQI-UHFFFAOYSA-N 1 0 387.505 3.544 10 0 GHAERO CCOC(=O)[C@H](NC1CC[NH+](Cc2cccnc2)CC1)c1ccc(Cl)cc1 ZINC000192942713 884314897 /nfs/dbraw/zinc/31/48/97/884314897.db2.gz CFOMTUYOXSRRFX-HXUWFJFHSA-N 1 0 387.911 3.593 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3cccc(OC4CCCC4)c3)CC2)CCO1 ZINC000193487920 884519118 /nfs/dbraw/zinc/51/91/18/884519118.db2.gz VUGQCWYXOIICAW-QGZVFWFLSA-N 1 0 387.524 3.725 10 0 GHAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000105274738 884688640 /nfs/dbraw/zinc/68/86/40/884688640.db2.gz ZLBZZEOZLZRHQJ-APWZRJJASA-N 1 0 379.932 3.543 10 0 GHAERO Cc1ccc(Cc2nnc(NC(=O)N3CCC([NH+]4CCCC4)CC3)s2)cc1 ZINC000108534836 886082227 /nfs/dbraw/zinc/08/22/27/886082227.db2.gz AIZHCFLREMKUAA-UHFFFAOYSA-N 1 0 385.537 3.529 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCSc1ccccc1F ZINC000116250059 886357802 /nfs/dbraw/zinc/35/78/02/886357802.db2.gz FALJGLSQCKJSQE-APWZRJJASA-N 1 0 387.524 3.730 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCCc1c[nH]c2ccccc12 ZINC000116252961 886358246 /nfs/dbraw/zinc/35/82/46/886358246.db2.gz HGXWIRYCSAIENX-AVRDEDQJSA-N 1 0 390.531 3.912 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cc(Cl)ccc1F ZINC000116478612 886364298 /nfs/dbraw/zinc/36/42/98/886364298.db2.gz XBYOYBLFSBZFNR-DYVFJYSZSA-N 1 0 376.863 3.906 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(C)Cc1cccc(Cl)c1 ZINC000116568432 886365737 /nfs/dbraw/zinc/36/57/37/886365737.db2.gz DUQOHMHMQFINIS-JXFKEZNVSA-N 1 0 386.927 3.787 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000116568954 886367969 /nfs/dbraw/zinc/36/79/69/886367969.db2.gz BRUJFLMWIXTKIV-JXFKEZNVSA-N 1 0 386.927 3.787 10 0 GHAERO COc1cc(F)c(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1OC ZINC000124441627 886750003 /nfs/dbraw/zinc/75/00/03/886750003.db2.gz YGDDDZLRVAINOH-UHFFFAOYSA-N 1 0 392.496 3.546 10 0 GHAERO COc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1NC(C)=O ZINC000126272157 886950254 /nfs/dbraw/zinc/95/02/54/886950254.db2.gz DGVJTRIZVFSVJU-FIKGOQFSSA-N 1 0 396.535 3.610 10 0 GHAERO O=C(NCc1nc(C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)cs1)c1ccccc1 ZINC000129110576 887261206 /nfs/dbraw/zinc/26/12/06/887261206.db2.gz YOFPHKIDGCBREL-RTBURBONSA-N 1 0 395.532 3.543 10 0 GHAERO C[C@H](Oc1cccc(C=O)c1)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000131628538 887562510 /nfs/dbraw/zinc/56/25/10/887562510.db2.gz CELSFVFZLYZQBJ-VPWXQRGCSA-N 1 0 386.517 3.527 10 0 GHAERO C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000134144644 887838534 /nfs/dbraw/zinc/83/85/34/887838534.db2.gz NABBMAGMMBEEER-HNNXBMFYSA-N 1 0 379.342 3.715 10 0 GHAERO CC(=O)N(c1nc(CN2CCC[N@@H+](C3CC3)CC2)cs1)c1ccccc1F ZINC000195337705 888681467 /nfs/dbraw/zinc/68/14/67/888681467.db2.gz WDHSTHGSJLNGKC-UHFFFAOYSA-N 1 0 388.512 3.637 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1CCCC[C@H]1c1cccn1C ZINC000245426920 888748942 /nfs/dbraw/zinc/74/89/42/888748942.db2.gz GRZQOHRVFXAFOC-CBQOVEMMSA-N 1 0 395.551 3.567 10 0 GHAERO C[N@@H+]1CC[C@@H](CNC(=O)NC2CCSCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245666757 889192376 /nfs/dbraw/zinc/19/23/76/889192376.db2.gz HFGZWDQDWVARSC-SUMWQHHRSA-N 1 0 385.936 3.667 10 0 GHAERO C[N@@H+]1CC[C@H](CNC(=O)NC2CCSCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245666748 889192507 /nfs/dbraw/zinc/19/25/07/889192507.db2.gz HFGZWDQDWVARSC-CXAGYDPISA-N 1 0 385.936 3.667 10 0 GHAERO C[N@@H+]1CC[C@H](CNC(=O)CC[C@@H]2CCCCO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245667748 889193504 /nfs/dbraw/zinc/19/35/04/889193504.db2.gz HLIDIIPNOWQQLW-GQIGUUNPSA-N 1 0 382.907 3.937 10 0 GHAERO O=C(c1ccccc1Cl)N1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000245730151 889533891 /nfs/dbraw/zinc/53/38/91/889533891.db2.gz IBVJSQKSYOMLEN-MISYRCLQSA-N 1 0 388.939 3.882 10 0 GHAERO CCC(CC)n1nc(C)cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000245841857 889841993 /nfs/dbraw/zinc/84/19/93/889841993.db2.gz JYDWFPIXUUNTHB-UZLBHIALSA-N 1 0 383.540 3.588 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1cccc(Oc2cnccn2)c1 ZINC000245928403 890033383 /nfs/dbraw/zinc/03/33/83/890033383.db2.gz TXFPPJGNIAALOC-LAUBAEHRSA-N 1 0 375.476 3.986 10 0 GHAERO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)ccc1OCc1ccncc1 ZINC000247044950 891337459 /nfs/dbraw/zinc/33/74/59/891337459.db2.gz UVNIBRKOAACDPK-WIYYLYMNSA-N 1 0 392.503 3.949 10 0 GHAERO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1OC(=O)c2ccccc21 ZINC000247072513 891342615 /nfs/dbraw/zinc/34/26/15/891342615.db2.gz YMWKTYHPRWTTLJ-UGKGYDQZSA-N 1 0 392.499 3.659 10 0 GHAERO Cc1nc(-c2ccco2)ccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247197613 891352734 /nfs/dbraw/zinc/35/27/34/891352734.db2.gz LMQKTIWWKBXQBT-UZLBHIALSA-N 1 0 390.487 3.685 10 0 GHAERO C[N@@H+]1CC[C@H](NC(=O)CCc2ncc(-c3ccccc3F)o2)[C@H]1c1ccccc1 ZINC000247911580 891398769 /nfs/dbraw/zinc/39/87/69/891398769.db2.gz AHUZPSUNHNYICY-WMZHIEFXSA-N 1 0 393.462 3.975 10 0 GHAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(C(=O)Nc4ccccc4)cc3)CC[C@H]21 ZINC000248125104 891410480 /nfs/dbraw/zinc/41/04/80/891410480.db2.gz NUNWABXHCAWRJF-WIYYLYMNSA-N 1 0 392.503 3.887 10 0 GHAERO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(NC(=O)C3CC3)cc2)[C@H]1c1ccccc1 ZINC000248141943 891411947 /nfs/dbraw/zinc/41/19/47/891411947.db2.gz YQYJMXNJWRKGHC-WOJBJXKFSA-N 1 0 378.476 3.602 10 0 GHAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(C(=O)NC4CCCCC4)cc3)CC[C@H]21 ZINC000248149621 891412738 /nfs/dbraw/zinc/41/27/38/891412738.db2.gz QQOHSCDWQREVNC-WIYYLYMNSA-N 1 0 398.551 3.697 10 0 GHAERO Cc1c([C@H](C)[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)cnn1-c1ccccn1 ZINC000248198570 891415272 /nfs/dbraw/zinc/41/52/72/891415272.db2.gz XWLPMXGSWKNFQV-FGSXEWAUSA-N 1 0 390.535 3.532 10 0 GHAERO Cc1cccc(-c2nnc(-c3ccc(C(=O)N4C[C@@H]5CC[C@H]([NH3+])[C@H]5C4)cc3)o2)c1 ZINC000248632249 891448453 /nfs/dbraw/zinc/44/84/53/891448453.db2.gz PJOLZVRNTKDHEV-UFYCRDLUSA-N 1 0 388.471 3.521 10 0 GHAERO CC(=O)Nc1ccc(C)c(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000248795122 891470035 /nfs/dbraw/zinc/47/00/35/891470035.db2.gz JCMHXFXBMDAEOV-IERDGZPVSA-N 1 0 380.492 3.595 10 0 GHAERO Fc1ccc([C@@H](NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c2ncc[nH]2)cc1 ZINC000248847494 891474841 /nfs/dbraw/zinc/47/48/41/891474841.db2.gz SGRVKPBQLUZJAV-FCHUYYIVSA-N 1 0 394.494 3.519 10 0 GHAERO CC(=O)NC1CCC([NH2+]C[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000248928054 891481494 /nfs/dbraw/zinc/48/14/94/891481494.db2.gz XLHYLCYETVEXEN-QVUWHDNHSA-N 1 0 381.923 3.509 10 0 GHAERO C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccncc1 ZINC000249381039 891504598 /nfs/dbraw/zinc/50/45/98/891504598.db2.gz VDGGNXJRZMQFJE-BMGDILEWSA-N 1 0 377.410 3.569 10 0 GHAERO C[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)ncc2Cl)[C@H]1c1ccccc1 ZINC000251723025 891641236 /nfs/dbraw/zinc/64/12/36/891641236.db2.gz LWJFAYOCZLTRDZ-GDBMZVCRSA-N 1 0 394.700 3.673 10 0 GHAERO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)C[C@H]1c1ccccc1 ZINC000261741465 892095007 /nfs/dbraw/zinc/09/50/07/892095007.db2.gz MTLWDZKMNSLVCB-AFYVEPGGSA-N 1 0 399.332 3.754 10 0 GHAERO O=C(NC1CC[NH+](Cc2ccccn2)CC1)N(Cc1ccco1)C1CCCC1 ZINC000105112378 898190375 /nfs/dbraw/zinc/19/03/75/898190375.db2.gz VKZHSJFLRIGUMU-UHFFFAOYSA-N 1 0 382.508 3.793 10 0 GHAERO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2ccc3c4c(cccc42)CC3)CC1 ZINC000333183602 900018049 /nfs/dbraw/zinc/01/80/49/900018049.db2.gz SKMQGJJGHGUZSQ-SIKLNZKXSA-N 1 0 379.504 3.689 10 0 GHAERO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)Nc2ncc(C3CCCCC3)s2)CC1 ZINC000333187049 900019972 /nfs/dbraw/zinc/01/99/72/900019972.db2.gz TYRGQRPQQODIKI-WMZOPIPTSA-N 1 0 392.569 3.941 10 0 GHAERO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2cccc(OC3CCCC3)c2)CC1 ZINC000333197371 900028923 /nfs/dbraw/zinc/02/89/23/900028923.db2.gz WPEDXKBSDXKNDV-LEWJYISDSA-N 1 0 387.524 3.758 10 0 GHAERO Cc1ccc(Br)c(NC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000333202095 900032249 /nfs/dbraw/zinc/03/22/49/900032249.db2.gz YBQKHUDUDDFMHE-NVXWUHKLSA-N 1 0 396.329 3.508 10 0 GHAERO O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000333372905 902044386 /nfs/dbraw/zinc/04/43/86/902044386.db2.gz MRDZSISSDNADJO-NLWGTHIKSA-N 1 0 383.536 3.854 10 0 GHAERO CCOc1cc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2CC)cc(Cl)c1OC ZINC000190428401 209113828 /nfs/dbraw/zinc/11/38/28/209113828.db2.gz FWGFFNNIAKOMFK-LPHOPBHVSA-N 1 0 393.915 3.974 10 0 GHAERO Cc1cccc(N2CCN(CCC[NH+]3CCN(c4cccc(C)c4)CC3)CC2)c1 ZINC000001664977 206388234 /nfs/dbraw/zinc/38/82/34/206388234.db2.gz JUBRGGNAUCZGKZ-UHFFFAOYSA-N 1 0 392.591 3.638 10 0 GHAERO CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H](Nc3ccc4c(c3)OCO4)C2)cc1CO ZINC000015064184 207041925 /nfs/dbraw/zinc/04/19/25/207041925.db2.gz AIZWLCRYRJNRPB-HXUWFJFHSA-N 1 0 398.503 3.771 10 0 GHAERO CCN1CCC([N@@H+]2CC[C@]3(C2)CCCN(Cc2cccc(F)c2F)C3)CC1 ZINC000019222134 207108128 /nfs/dbraw/zinc/10/81/28/207108128.db2.gz GREOZSGUGSNWLG-JOCHJYFZSA-N 1 0 377.523 3.737 10 0 GHAERO Fc1ccccc1N1CCN([C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)CC1 ZINC000020295139 207186457 /nfs/dbraw/zinc/18/64/57/207186457.db2.gz DYNNZXOHWXQNEN-OAQYLSRUSA-N 1 0 379.523 3.580 10 0 GHAERO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccccn2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000020598594 207204920 /nfs/dbraw/zinc/20/49/20/207204920.db2.gz ZMQFCKIBCBKDMS-IBGZPJMESA-N 1 0 376.460 3.590 10 0 GHAERO Cc1ccccc1C1=NO[C@@H](C[N@H+](Cc2ccccc2)C[C@@H](O)COC(C)C)C1 ZINC000104982749 570911193 /nfs/dbraw/zinc/91/11/93/570911193.db2.gz CLSOAVBFWRVZSE-FGZHOGPDSA-N 1 0 396.531 3.776 10 0 GHAERO Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)c12 ZINC000113227476 837822138 /nfs/dbraw/zinc/82/21/38/837822138.db2.gz TWXRURSUMRBHGB-WMLDXEAASA-N 1 0 395.551 3.681 10 0 GHAERO c1c2c(sc1-c1nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no1)-c1ccccc1OC2 ZINC000329547668 835212502 /nfs/dbraw/zinc/21/25/02/835212502.db2.gz BACPDTUCRUZJCH-CJNGLKHVSA-N 1 0 381.457 3.893 10 0 GHAERO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3cc(O)c4ccccc4c3)CC2)C[C@@H](C)O1 ZINC000329931389 836106165 /nfs/dbraw/zinc/10/61/65/836106165.db2.gz BEIHJBUNVNIORT-QZTJIDSGSA-N 1 0 396.531 3.897 10 0 GHAERO Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(NC(=O)NC4CC4)cc3)CC2)nc1 ZINC000163461628 842994981 /nfs/dbraw/zinc/99/49/81/842994981.db2.gz ICBLEINJIAJVHM-KRWDZBQOSA-N 1 0 393.535 3.994 10 0 GHAERO O=C(CCCc1ccccc1Br)N1CCC([NH+]2CCCC2)CC1 ZINC000162068558 843195805 /nfs/dbraw/zinc/19/58/05/843195805.db2.gz IMELXMQUACFQHW-UHFFFAOYSA-N 1 0 379.342 3.859 10 0 GHAERO COc1cccc([C@@H]2[C@@H](NC(=O)/C=C\c3ncccc3C)CC[N@@H+]2C2CC2)c1 ZINC000588455917 843359594 /nfs/dbraw/zinc/35/95/94/843359594.db2.gz DNTVWVLAOPZTAF-XFYCYCRDSA-N 1 0 377.488 3.506 10 0 GHAERO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)[C@@H]3CCCc4c(O)cccc43)C1)CCCC2 ZINC000276841387 843509368 /nfs/dbraw/zinc/50/93/68/843509368.db2.gz HBDBQNWEPRGGMM-QFBILLFUSA-N 1 0 379.504 3.669 10 0 GHAERO Cc1cc(C)n(-c2ccc(NC(=O)N3CCC([C@H]4CCC[NH2+]4)CC3)cc2F)n1 ZINC000333088402 844000506 /nfs/dbraw/zinc/00/05/06/844000506.db2.gz CAJNZQCDCPZMOD-LJQANCHMSA-N 1 0 385.487 3.624 10 0 GHAERO CCC(=O)c1cccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000152420303 847016370 /nfs/dbraw/zinc/01/63/70/847016370.db2.gz LRBSLESKAAODEQ-OXJNMPFZSA-N 1 0 380.492 3.706 10 0 GHAERO Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237672817 848527217 /nfs/dbraw/zinc/52/72/17/848527217.db2.gz BSHULYKJBXNLNO-YIONKMFJSA-N 1 0 387.867 3.507 10 0 GHAERO Cc1ccc(NC(=O)N2CCC[C@H](c3nccs3)C2)c(OCC[NH+](C)C)c1 ZINC000154598058 849328698 /nfs/dbraw/zinc/32/86/98/849328698.db2.gz OFFZMLWDBMSKSH-INIZCTEOSA-N 1 0 388.537 3.803 10 0 GHAERO CC(C)(NC(=O)NCCCC[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000101789905 851909642 /nfs/dbraw/zinc/90/96/42/851909642.db2.gz AHMAQIPFDWESFW-UHFFFAOYSA-N 1 0 388.339 3.640 10 0 GHAERO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC2C3CC4CC(C3)CC2C4)CC1 ZINC000157264806 853829700 /nfs/dbraw/zinc/82/97/00/853829700.db2.gz QIZRBSNHBUVYAJ-HVLZBCLKSA-N 1 0 382.552 3.731 10 0 GHAERO Cc1ccc(CCC2CCN(C(=O)C[NH2+][C@@H]3CCC(=O)NC34CCC4)CC2)cc1 ZINC000328684046 854508731 /nfs/dbraw/zinc/50/87/31/854508731.db2.gz DVDRNMZIPKLTNO-OAQYLSRUSA-N 1 0 397.563 3.797 10 0 GHAERO C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(-c3ccc(F)cc3)c2)[C@H]1C ZINC000330129383 862598844 /nfs/dbraw/zinc/59/88/44/862598844.db2.gz JYKSCRYQOBDHTJ-JHNRIYHNSA-N 1 0 398.526 3.945 10 0 GHAERO CC[C@H](C)Oc1ccc(NC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000098029149 856253154 /nfs/dbraw/zinc/25/31/54/856253154.db2.gz LUJNPFBGYZGECR-DLBZAZTESA-N 1 0 375.513 3.581 10 0 GHAERO COc1ccccc1CCN(C)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000103858392 864059859 /nfs/dbraw/zinc/05/98/59/864059859.db2.gz XMAOAMJLULQZAT-UHFFFAOYSA-N 1 0 383.536 3.920 10 0 GHAERO COc1ccccc1CCN(C)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000103857376 864091396 /nfs/dbraw/zinc/09/13/96/864091396.db2.gz WUXCQCNTJHUYDS-UHFFFAOYSA-N 1 0 399.510 3.683 10 0 GHAERO Cc1nc(COc2ccccc2/C=C/C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cs1 ZINC000171444466 882126087 /nfs/dbraw/zinc/12/60/87/882126087.db2.gz JXSFUDWXVGGBKT-NDDJGDGRSA-N 1 0 397.544 3.740 10 0 GHAERO O=C(CN1CCC[N@@H+](C2CC2)CC1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000172347604 882185427 /nfs/dbraw/zinc/18/54/27/882185427.db2.gz HNYYKQLJKUKEJA-UHFFFAOYSA-N 1 0 376.715 3.755 10 0 GHAERO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172541527 882293795 /nfs/dbraw/zinc/29/37/95/882293795.db2.gz OUPZPSSDPLCOJM-LJQANCHMSA-N 1 0 377.532 3.775 10 0 GHAERO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2c(Cl)n(C)nc2-c2ccccc2)C1 ZINC000092706530 882420588 /nfs/dbraw/zinc/42/05/88/882420588.db2.gz CHVTXFJEOLFCSR-MRXNPFEDSA-N 1 0 388.943 3.725 10 0 GHAERO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC[C@H](c3nccs3)C2)C1 ZINC000114823005 870709437 /nfs/dbraw/zinc/70/94/37/870709437.db2.gz JJGMKWACWJZCBL-KURKYZTESA-N 1 0 378.586 3.790 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000116246940 873368954 /nfs/dbraw/zinc/36/89/54/873368954.db2.gz KSRNHIZORYFQDG-KDOFPFPSSA-N 1 0 377.410 3.741 10 0 GHAERO Cc1cccc(OCCCCC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000116249500 873369973 /nfs/dbraw/zinc/36/99/73/873369973.db2.gz YOYVZHVXSVCJRN-REWPJTCUSA-N 1 0 395.547 3.966 10 0 GHAERO COc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1Cl ZINC000116476707 873513282 /nfs/dbraw/zinc/51/32/82/873513282.db2.gz NRFFCIORBFUGFZ-KDOFPFPSSA-N 1 0 388.899 3.776 10 0 GHAERO Cc1cc(NC(=O)C2CC[NH+](C[C@H](O)c3ccc(Cl)cc3Cl)CC2)no1 ZINC000179577359 883010745 /nfs/dbraw/zinc/01/07/45/883010745.db2.gz YZUHKJCBQXVCOP-INIZCTEOSA-N 1 0 398.290 3.674 10 0 GHAERO CN(C)c1nc(-c2ccccc2)c(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)s1 ZINC000180459074 883059423 /nfs/dbraw/zinc/05/94/23/883059423.db2.gz MESLCQJNOVOSIE-RDJZCZTQSA-N 1 0 375.563 3.582 10 0 GHAERO Cn1ccnc1CC1CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000180215715 883067623 /nfs/dbraw/zinc/06/76/23/883067623.db2.gz DJNKPVKLRQBQMH-QGZVFWFLSA-N 1 0 396.318 3.632 10 0 GHAERO Cn1cc(CN2CCCN(C(=O)c3cccs3)CC2)c(-c2cccs2)n1 ZINC000180239897 883068595 /nfs/dbraw/zinc/06/85/95/883068595.db2.gz JOYHHUPETVHKDE-UHFFFAOYSA-N 1 0 386.546 3.558 10 0 GHAERO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000180863740 883105372 /nfs/dbraw/zinc/10/53/72/883105372.db2.gz QHEWGASSQVFRHI-OXQOHEQNSA-N 1 0 398.503 3.727 10 0 GHAERO CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000183646053 883293296 /nfs/dbraw/zinc/29/32/96/883293296.db2.gz PYTWWYOHWOWKAY-QGZVFWFLSA-N 1 0 375.476 3.558 10 0 GHAERO CN(C(=O)/C=C/c1ccc2ccccc2c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000183824196 883305887 /nfs/dbraw/zinc/30/58/87/883305887.db2.gz HTEJBAQYBWQTNJ-CSKARUKUSA-N 1 0 388.515 3.673 10 0 GHAERO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)CC(=O)N(C)c2ccccc2)c2ccc(F)cc2C1 ZINC000184519933 883351116 /nfs/dbraw/zinc/35/11/16/883351116.db2.gz PGGGXKHYSCPJPO-KSFYIVLOSA-N 1 0 397.494 3.650 10 0 GHAERO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccccc2C)c2ccc(F)cc2C1 ZINC000184528599 883353252 /nfs/dbraw/zinc/35/32/52/883353252.db2.gz KFXDNPYBJKZFSI-KSFYIVLOSA-N 1 0 397.494 3.934 10 0 GHAERO O=S1(=O)CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c2ccccc21 ZINC000186186879 883618957 /nfs/dbraw/zinc/61/89/57/883618957.db2.gz TZQYYHMZPUBODS-RKKYOWQMSA-N 1 0 396.556 3.690 10 0 GHAERO CN1Cc2cc(NC(=O)NC(C)(C)C[N@H+](C)Cc3ccccc3)ccc2NC1=O ZINC000186677753 883686413 /nfs/dbraw/zinc/68/64/13/883686413.db2.gz FPJJTTDWMFEVBO-UHFFFAOYSA-N 1 0 395.507 3.696 10 0 GHAERO O=C(Nc1ccccc1SC[C@H]1CC1(Cl)Cl)c1n[nH]c2c1C[NH2+]CC2 ZINC000188398172 883839005 /nfs/dbraw/zinc/83/90/05/883839005.db2.gz UHCPKANRIWIQIQ-SNVBAGLBSA-N 1 0 397.331 3.594 10 0 GHAERO O=C(Nc1ccccc1C(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccsc1 ZINC000188749019 883866656 /nfs/dbraw/zinc/86/66/56/883866656.db2.gz YKQPDDHLDUVSLG-UHFFFAOYSA-N 1 0 377.469 3.534 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1CCC(c2ccsc2)CC1 ZINC000188857255 883888962 /nfs/dbraw/zinc/88/89/62/883888962.db2.gz CFGVNNPHOWXXHD-UWJYYQICSA-N 1 0 398.576 3.943 10 0 GHAERO C[NH+](C)Cc1cc(CNC(=O)N2CC3(CCOCC3)c3ccccc32)ccc1F ZINC000189002275 883898030 /nfs/dbraw/zinc/89/80/30/883898030.db2.gz LLVNVOGTUAUUFH-UHFFFAOYSA-N 1 0 397.494 3.665 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(Cc1cccs1)C1CC1 ZINC000116569495 886367493 /nfs/dbraw/zinc/36/74/93/886367493.db2.gz ZBESHXHPJRRGFK-JXFKEZNVSA-N 1 0 384.549 3.728 10 0 GHAERO CC(C)Cn1cc(C(F)F)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000120560708 886526113 /nfs/dbraw/zinc/52/61/13/886526113.db2.gz UXZJXQFGGYUFBC-RHSMWYFYSA-N 1 0 380.483 3.566 10 0 GHAERO Cc1cccc(N2CCC([NH2+][C@H](C)c3ccc(NC(=O)NC4CC4)cc3)CC2)n1 ZINC000128094007 887145522 /nfs/dbraw/zinc/14/55/22/887145522.db2.gz YBYYRBDMFADYSX-QGZVFWFLSA-N 1 0 393.535 3.994 10 0 GHAERO COc1cc([C@@H](C)[NH2+]C2CCN(c3cccc(C)n3)CC2)cc(OC)c1OC ZINC000128132573 887149396 /nfs/dbraw/zinc/14/93/96/887149396.db2.gz KDAVMMRDCYJRHT-MRXNPFEDSA-N 1 0 385.508 3.735 10 0 GHAERO CCCN(CCc1ccccn1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000105083639 887527783 /nfs/dbraw/zinc/52/77/83/887527783.db2.gz ZFPNIENFLXOBIX-LJQANCHMSA-N 1 0 386.565 3.944 10 0 GHAERO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000055116613 888303420 /nfs/dbraw/zinc/30/34/20/888303420.db2.gz KUTFLKFBUBFSBT-PKTZIBPZSA-N 1 0 378.516 3.935 10 0 GHAERO CC(C)Oc1ccc(/C=C/C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000058497471 888438429 /nfs/dbraw/zinc/43/84/29/888438429.db2.gz RZLCDCXCVLNPNZ-VMPITWQZSA-N 1 0 379.504 3.663 10 0 GHAERO C[C@H](c1nc2ccccc2n1C(F)F)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000245429359 888750275 /nfs/dbraw/zinc/75/02/75/888750275.db2.gz NBTVUKKUKJNSRC-IAGOWNOFSA-N 1 0 391.510 3.594 10 0 GHAERO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ncc(Br)s1 ZINC000245621130 889079941 /nfs/dbraw/zinc/07/99/41/889079941.db2.gz BKQSWYCUSGJVOW-KCQAQPDRSA-N 1 0 395.370 3.862 10 0 GHAERO CNC(=O)c1ccc(C[NH2+]C[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000245660455 889182082 /nfs/dbraw/zinc/18/20/82/889182082.db2.gz FSQYIJSRWGURIK-PXNSSMCTSA-N 1 0 389.902 3.621 10 0 GHAERO COc1cc(Br)cc(C)c1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000065800989 890185395 /nfs/dbraw/zinc/18/53/95/890185395.db2.gz WRURLIYOOHZMLZ-UHFFFAOYSA-N 1 0 396.329 3.858 10 0 GHAERO COc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c(OC)c1OC ZINC000246210042 890737084 /nfs/dbraw/zinc/73/70/84/890737084.db2.gz MJUGWYRMPZJSFL-HZPDHXFCSA-N 1 0 377.506 3.862 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1cccc(-c2ncco2)c1 ZINC000246233198 890789970 /nfs/dbraw/zinc/78/99/70/890789970.db2.gz WUTDYQUSZVJFTJ-OXJNMPFZSA-N 1 0 391.475 3.769 10 0 GHAERO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H](c4nccs4)C3)cc2)CC1 ZINC000067046464 891140892 /nfs/dbraw/zinc/14/08/92/891140892.db2.gz RKZGBTQUPXGIGJ-LJQANCHMSA-N 1 0 398.576 3.693 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc2ncsc2c1 ZINC000246946004 891324334 /nfs/dbraw/zinc/32/43/34/891324334.db2.gz JAQQXQHSIBWCCX-WMLDXEAASA-N 1 0 381.505 3.723 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N1CC=C(c2ccccc2)CC1 ZINC000246980184 891328521 /nfs/dbraw/zinc/32/85/21/891328521.db2.gz KVTMUFJGXXUWFO-WMZHIEFXSA-N 1 0 390.531 3.791 10 0 GHAERO CC[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1nc(C)cs1 ZINC000247046346 891338581 /nfs/dbraw/zinc/33/85/81/891338581.db2.gz OGWXVSBILRDWPC-JLSDUUJJSA-N 1 0 387.553 3.507 10 0 GHAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000247307459 891364726 /nfs/dbraw/zinc/36/47/26/891364726.db2.gz JJYLOYIGHCFSBW-UTKZUKDTSA-N 1 0 392.503 3.664 10 0 GHAERO C[C@H](SCc1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000247328333 891367201 /nfs/dbraw/zinc/36/72/01/891367201.db2.gz XZZSJDOSFPEOIJ-WFXMLNOXSA-N 1 0 383.561 3.730 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Cc1c(Cl)cccc1Cl ZINC000247109401 891369583 /nfs/dbraw/zinc/36/95/83/891369583.db2.gz FTKSMKMJTFGZLA-IFXJQAMLSA-N 1 0 392.330 3.958 10 0 GHAERO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(NC(=O)c4ccccc4)c3)CC[C@H]21 ZINC000248121012 891411037 /nfs/dbraw/zinc/41/10/37/891411037.db2.gz NISRBXJFYDXAHU-GHTZIAJQSA-N 1 0 392.503 3.887 10 0 GHAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1cnn(Cc2ccccc2)c1 ZINC000248171411 891415521 /nfs/dbraw/zinc/41/55/21/891415521.db2.gz UVJPTPHNGXRUBF-MZLICYQSSA-N 1 0 389.547 3.888 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCc1ccc(C(F)F)cc1 ZINC000248842128 891475123 /nfs/dbraw/zinc/47/51/23/891475123.db2.gz NVBVVVSVAQMAEL-DNVCBOLYSA-N 1 0 388.462 3.729 10 0 GHAERO O=C(C1CCN(Cc2nccn2Cc2ccccc2)CC1)N1CCCCCC1 ZINC000078338898 891801938 /nfs/dbraw/zinc/80/19/38/891801938.db2.gz XXBNXCKXJDBNKG-UHFFFAOYSA-N 1 0 380.536 3.546 10 0 GHAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2cc(F)cc(Br)c2)C1 ZINC000105171023 891977042 /nfs/dbraw/zinc/97/70/42/891977042.db2.gz BCNBDVVXTLEJPK-CYBMUJFWSA-N 1 0 386.309 3.508 10 0 GHAERO Cc1ccc(NC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1C(F)(F)F ZINC000333093685 899953964 /nfs/dbraw/zinc/95/39/64/899953964.db2.gz CUZXRFOJCJZECG-DLBZAZTESA-N 1 0 385.430 3.764 10 0 GHAERO Cc1coc(-c2cc(NC(=O)N3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)ccc2C)n1 ZINC000333136565 899990308 /nfs/dbraw/zinc/99/03/08/899990308.db2.gz KHKBHZIEPMNUNW-WOJBJXKFSA-N 1 0 398.507 3.709 10 0 GHAERO O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000333353819 902030583 /nfs/dbraw/zinc/03/05/83/902030583.db2.gz JYGYLWCGFHRZTK-QUCCMNQESA-N 1 0 383.536 3.854 10 0 GHAERO Cc1cc(NC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1Br ZINC000333946349 902446167 /nfs/dbraw/zinc/44/61/67/902446167.db2.gz UNVFLWISEDOTCN-DLBZAZTESA-N 1 0 396.329 3.508 10 0 GHAERO CCCn1ncnc1CN(C)C1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000367220608 921980373 /nfs/dbraw/zinc/98/03/73/921980373.db2.gz WIQMRHUSGPPPAD-UHFFFAOYSA-N 1 0 381.446 3.808 10 0 GHAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)C[C@@H](c2ccccc2)C1 ZINC000328621813 206233632 /nfs/dbraw/zinc/23/36/32/206233632.db2.gz HZABDHOQUGOINU-YTTNKZCFSA-N 1 0 380.536 3.502 10 0 GHAERO CCOc1ccc(CN2CCC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)cc1CO ZINC000023360962 207276306 /nfs/dbraw/zinc/27/63/06/207276306.db2.gz ZRPNTKXJQNCBMH-HSZRJFAPSA-N 1 0 380.532 3.600 10 0 GHAERO Cc1cnn([C@@H]2CCCN(C(=O)NC3CC[NH+]([C@H](C)c4ccccc4)CC3)C2)c1 ZINC000116561547 834370428 /nfs/dbraw/zinc/37/04/28/834370428.db2.gz HFYNGEDMGBGOGV-DENIHFKCSA-N 1 0 395.551 3.764 10 0 GHAERO COc1cc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc(OC)c1OC ZINC000157476495 834935098 /nfs/dbraw/zinc/93/50/98/834935098.db2.gz SRLDSUPUIXHTNJ-ZWOKBUDYSA-N 1 0 399.535 3.669 10 0 GHAERO Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000126918312 835234646 /nfs/dbraw/zinc/23/46/46/835234646.db2.gz AWTQYTUMOHDAON-WBVHZDCISA-N 1 0 385.508 3.697 10 0 GHAERO O=C(Nc1ccnn1Cc1ccc(Cl)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000158560325 835435210 /nfs/dbraw/zinc/43/52/10/835435210.db2.gz QICGPANFLPENPX-UHFFFAOYSA-N 1 0 387.915 3.677 10 0 GHAERO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3cc(O)c4ccccc4c3)CC2)C[C@H](C)O1 ZINC000329931388 836106241 /nfs/dbraw/zinc/10/62/41/836106241.db2.gz BEIHJBUNVNIORT-HDICACEKSA-N 1 0 396.531 3.897 10 0 GHAERO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)c3cc(C4CCCCC4)n[nH]3)C1)CCCC2 ZINC000275451882 837065136 /nfs/dbraw/zinc/06/51/36/837065136.db2.gz FDXJVLKPJUBYFX-KRWDZBQOSA-N 1 0 381.524 3.928 10 0 GHAERO COc1cccc([C@@H]2[C@H](NC(=O)/C=C\c3ccnc(Cl)c3)CC[N@@H+]2C2CC2)c1 ZINC000588396710 840517376 /nfs/dbraw/zinc/51/73/76/840517376.db2.gz QOCFUIUWOCLEDG-SAEXZTQASA-N 1 0 397.906 3.851 10 0 GHAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl ZINC000247394226 842154289 /nfs/dbraw/zinc/15/42/89/842154289.db2.gz MEIKYNCPGJDXPW-HIFRSBDPSA-N 1 0 392.931 3.569 10 0 GHAERO CC(C)c1noc(-c2ccccc2C(=O)N2CCC([NH+]3CCCCC3)CC2)n1 ZINC000328905067 842862060 /nfs/dbraw/zinc/86/20/60/842862060.db2.gz JUTGRZCUSAOHCE-UHFFFAOYSA-N 1 0 382.508 3.951 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1CC=C(c2cccs2)CC1 ZINC000118077432 843153473 /nfs/dbraw/zinc/15/34/73/843153473.db2.gz CHFQTXWWCAHYHT-PXNSSMCTSA-N 1 0 396.560 3.852 10 0 GHAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000247812485 845035871 /nfs/dbraw/zinc/03/58/71/845035871.db2.gz VGRKGXPIWFYTRV-JNEKLRAESA-N 1 0 384.568 3.647 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cccc(-c2ncco2)c1 ZINC000152322359 846684190 /nfs/dbraw/zinc/68/41/90/846684190.db2.gz WUTDYQUSZVJFTJ-UZLBHIALSA-N 1 0 391.475 3.769 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)CCCc3csc4ccccc34)CC2)CCO1 ZINC000153329726 848372161 /nfs/dbraw/zinc/37/21/61/848372161.db2.gz WQQKYRKOEIWOGH-KRWDZBQOSA-N 1 0 386.561 3.936 10 0 GHAERO O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)N1CCC([NH+]2CCCC2)CC1 ZINC000155136978 849460436 /nfs/dbraw/zinc/46/04/36/849460436.db2.gz SPHJHEGKMJGXJY-NRFANRHFSA-N 1 0 382.483 3.580 10 0 GHAERO Cc1ccc(Br)c(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)c1 ZINC000329683630 862052770 /nfs/dbraw/zinc/05/27/70/862052770.db2.gz TVVWHDLCTQEGAI-WMLDXEAASA-N 1 0 378.270 3.733 10 0 GHAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 ZINC000329746440 862286393 /nfs/dbraw/zinc/28/63/93/862286393.db2.gz YUUYBGYTPLKQGK-YJBOKZPZSA-N 1 0 382.508 3.634 10 0 GHAERO CCCN(C(=O)NCc1cccc(C)n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000101797813 851916114 /nfs/dbraw/zinc/91/61/14/851916114.db2.gz BVVYJNLLKMZWGL-QFIPXVFZSA-N 1 0 380.536 3.976 10 0 GHAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000246895363 854447340 /nfs/dbraw/zinc/44/73/40/854447340.db2.gz HCKWTRXJDYRYND-UXHICEINSA-N 1 0 396.535 3.878 10 0 GHAERO COc1ccc([C@H]2CCCCCN2C(=O)C[NH2+][C@H]2CCC(=O)NC23CCC3)cc1 ZINC000328680326 854507039 /nfs/dbraw/zinc/50/70/39/854507039.db2.gz BYWVLYRINPFKRD-UXHICEINSA-N 1 0 399.535 3.770 10 0 GHAERO CCc1cc2c(ncnc2N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)s1 ZINC000328967400 854635462 /nfs/dbraw/zinc/63/54/62/854635462.db2.gz TVVACCKXEFROOL-KBXCAEBGSA-N 1 0 384.553 3.507 10 0 GHAERO C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(-c3ccc(F)cc3)c2)[C@@H]1C ZINC000330129386 862599635 /nfs/dbraw/zinc/59/96/35/862599635.db2.gz JYKSCRYQOBDHTJ-WBQUZEAOSA-N 1 0 398.526 3.945 10 0 GHAERO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(-c3ccc(F)cc3)c2)[C@H](C)C1 ZINC000330153081 862619472 /nfs/dbraw/zinc/61/94/72/862619472.db2.gz WZUJKUREMAFBMI-VDOMDEQESA-N 1 0 398.526 3.945 10 0 GHAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000252443914 860482839 /nfs/dbraw/zinc/48/28/39/860482839.db2.gz QJOOJENKZRNEGC-JXFKEZNVSA-N 1 0 378.476 3.639 10 0 GHAERO CC1CC[NH+](CCCCNC(=O)N[C@@H](c2ccccc2)c2ccncc2)CC1 ZINC000103305845 863950479 /nfs/dbraw/zinc/95/04/79/863950479.db2.gz LWCHJZKNADNCRE-QFIPXVFZSA-N 1 0 380.536 3.982 10 0 GHAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)N[C@H](c3ccccc3)C(C)(C)C)C2)CC1 ZINC000091846414 882187147 /nfs/dbraw/zinc/18/71/47/882187147.db2.gz SNAJPBBBHCMFGX-NHCUHLMSSA-N 1 0 386.584 3.585 10 0 GHAERO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)NC1(c2ccccc2)CCCCC1 ZINC000153167855 870652189 /nfs/dbraw/zinc/65/21/89/870652189.db2.gz BAIYUCWJUPKGAX-IBGZPJMESA-N 1 0 385.552 3.646 10 0 GHAERO CN1CC[NH+]([C@@H]2CCCCN(Cc3csc(-c4ccccc4F)n3)C2)CC1 ZINC000174898841 882535825 /nfs/dbraw/zinc/53/58/25/882535825.db2.gz UHYDMMMFCQAHMT-GOSISDBHSA-N 1 0 388.556 3.551 10 0 GHAERO COc1cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)ccc1OCc1c(C)noc1C ZINC000093604561 882569166 /nfs/dbraw/zinc/56/91/66/882569166.db2.gz KZCDKVNKABLQTL-FQEVSTJZSA-N 1 0 399.535 3.797 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc(OCC2CC2)cc1 ZINC000116244544 873366829 /nfs/dbraw/zinc/36/68/29/873366829.db2.gz CKVZLAARVQCCEV-JTSKRJEESA-N 1 0 379.504 3.511 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CSc1ccccc1Cl ZINC000116249039 873369608 /nfs/dbraw/zinc/36/96/08/873369608.db2.gz NCQLVQUOIPOGRI-YJBOKZPZSA-N 1 0 389.952 3.854 10 0 GHAERO COc1ccc2c(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCO4)cc(=O)oc2c1 ZINC000102929038 873890989 /nfs/dbraw/zinc/89/09/89/873890989.db2.gz YRPONJUOLZEFGY-SFHVURJKSA-N 1 0 379.412 3.867 10 0 GHAERO Cc1c([C@H](C)Nc2ccc(OC3CC[NH+](C)CC3)nc2)cnn1-c1ccccn1 ZINC000179744975 883024008 /nfs/dbraw/zinc/02/40/08/883024008.db2.gz XNCIQUUELCUUOJ-INIZCTEOSA-N 1 0 392.507 3.617 10 0 GHAERO Cc1ccc(N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1C(=O)NC(C)C ZINC000179842468 883032375 /nfs/dbraw/zinc/03/23/75/883032375.db2.gz XWLXXHQRKHXJQQ-PGRDOPGGSA-N 1 0 380.536 3.851 10 0 GHAERO CN(CC1CC[NH+](C[C@H](O)c2ccccc2Cl)CC1)C(=O)OC(C)(C)C ZINC000103494751 881223503 /nfs/dbraw/zinc/22/35/03/881223503.db2.gz ZQKRJIKBTDYWHY-SFHVURJKSA-N 1 0 382.932 3.952 10 0 GHAERO Cc1ccc(NC(=O)N2CCC[C@H]2c2ccco2)cc1NC(=O)CC[NH+](C)C ZINC000183774526 883286293 /nfs/dbraw/zinc/28/62/93/883286293.db2.gz XETOJGZQHRNCCZ-SFHVURJKSA-N 1 0 384.480 3.847 10 0 GHAERO COC(=O)c1ccc(Cl)c(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1C ZINC000184042150 883303687 /nfs/dbraw/zinc/30/36/87/883303687.db2.gz NKUIWFINBWZLRP-CABCVRRESA-N 1 0 393.915 3.914 10 0 GHAERO CCOc1cc(C[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)ccc1OC ZINC000185361133 883440648 /nfs/dbraw/zinc/44/06/48/883440648.db2.gz SIBLBJAPKWGKJH-HXUWFJFHSA-N 1 0 386.467 3.816 10 0 GHAERO COc1ccccc1CCN(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000105068625 883618808 /nfs/dbraw/zinc/61/88/08/883618808.db2.gz NMPJXSOYGYPFRS-OAQYLSRUSA-N 1 0 381.520 3.716 10 0 GHAERO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186575875 883664283 /nfs/dbraw/zinc/66/42/83/883664283.db2.gz JMPUCVQWOOCPTB-UHFFFAOYSA-N 1 0 395.507 3.780 10 0 GHAERO COCc1ccc(NC(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000192516674 884277604 /nfs/dbraw/zinc/27/76/04/884277604.db2.gz QAXIAHGIDXJUFW-ROUUACIJSA-N 1 0 389.540 3.576 10 0 GHAERO O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccnc(F)c1F ZINC000193428496 884498494 /nfs/dbraw/zinc/49/84/94/884498494.db2.gz VZRHPTJCLXKFHI-UHFFFAOYSA-N 1 0 386.427 3.627 10 0 GHAERO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000105274742 884688807 /nfs/dbraw/zinc/68/88/07/884688807.db2.gz ZLBZZEOZLZRHQJ-LPHOPBHVSA-N 1 0 379.932 3.543 10 0 GHAERO O=C(c1ccn(-c2ccc(Cl)c(Cl)c2)n1)N1CCC([NH+]2CCCC2)CC1 ZINC000106769294 886037142 /nfs/dbraw/zinc/03/71/42/886037142.db2.gz KGQAPCBPOAOMIO-UHFFFAOYSA-N 1 0 393.318 3.880 10 0 GHAERO CCCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116568679 886366025 /nfs/dbraw/zinc/36/60/25/886366025.db2.gz FEUJMNDZCFICDD-SIKLNZKXSA-N 1 0 380.536 3.914 10 0 GHAERO Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccc(NC(=O)NC4CC4)cc3)CC2)n1 ZINC000128093772 887143849 /nfs/dbraw/zinc/14/38/49/887143849.db2.gz YBYYRBDMFADYSX-KRWDZBQOSA-N 1 0 393.535 3.994 10 0 GHAERO O=C(Nc1cc(N2CCCC2=O)ccc1Cl)N1CCC([NH+]2CCCC2)CC1 ZINC000047502971 887338630 /nfs/dbraw/zinc/33/86/30/887338630.db2.gz QSFQTBMUIIHNHN-UHFFFAOYSA-N 1 0 390.915 3.559 10 0 GHAERO COc1cc(F)c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1OC ZINC000129823075 887355092 /nfs/dbraw/zinc/35/50/92/887355092.db2.gz WTTMWSZWTVWEJI-AYHJJNSGSA-N 1 0 398.478 3.768 10 0 GHAERO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(-c3ccccn3)c2C)[C@@H](C)C1 ZINC000245721772 889448309 /nfs/dbraw/zinc/44/83/09/889448309.db2.gz PVHKYKNVWAKNQJ-PGRDOPGGSA-N 1 0 395.547 3.924 10 0 GHAERO CC[C@H](C)n1ncc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1C1CC1 ZINC000245865865 889885822 /nfs/dbraw/zinc/88/58/22/889885822.db2.gz LLAGEAWLYSXFOB-LLGFUMIMSA-N 1 0 395.551 3.767 10 0 GHAERO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1csc([C@H]2CCCO2)n1 ZINC000245951420 890063473 /nfs/dbraw/zinc/06/34/73/890063473.db2.gz VQGPGBFEZGMOPP-IEBWSBKVSA-N 1 0 385.533 3.589 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@H]3C[C@H]3c3ccc4ccccc4c3)CC2)CCO1 ZINC000246251681 890846154 /nfs/dbraw/zinc/84/61/54/890846154.db2.gz LTZVOGCGFSLORE-VSDWSMLSSA-N 1 0 378.516 3.655 10 0 GHAERO Cc1cc(N(C)C)cc(C)c1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246371632 891081495 /nfs/dbraw/zinc/08/14/95/891081495.db2.gz SCGQBGQZEUQXQA-NQIIRXRSSA-N 1 0 395.551 3.797 10 0 GHAERO COc1ccc(-c2cncc(C(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)c2)cc1 ZINC000246417479 891230715 /nfs/dbraw/zinc/23/07/15/891230715.db2.gz BUHXWZULINVKJJ-RTWAWAEBSA-N 1 0 379.504 3.845 10 0 GHAERO C[C@H]1CN(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)[C@H]1c1ccccc1 ZINC000074301839 891271713 /nfs/dbraw/zinc/27/17/13/891271713.db2.gz FUWJAUITRWLWKN-JZZBYWGLSA-N 1 0 378.520 3.695 10 0 GHAERO C[C@@H]1C[C@H](N(C)C(=O)C[C@@H]2OC(=O)c3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000246700859 891298407 /nfs/dbraw/zinc/29/84/07/891298407.db2.gz RBCISGGYKLPPFO-JUXOCIIHSA-N 1 0 392.499 3.800 10 0 GHAERO Cc1onc(-c2ccccn2)c1C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246886213 891320449 /nfs/dbraw/zinc/32/04/49/891320449.db2.gz DKXOGIWXZZEGQH-SJLPKXTDSA-N 1 0 382.508 3.772 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(C)[C@H]1CCc2ccccc21 ZINC000246993408 891330209 /nfs/dbraw/zinc/33/02/09/891330209.db2.gz LMLRFHJXYQOZLF-YHYVQYDKSA-N 1 0 378.520 3.621 10 0 GHAERO Cc1oc(-c2ccco2)nc1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247019391 891333943 /nfs/dbraw/zinc/33/39/43/891333943.db2.gz MAZAFEZLOSKDTO-QFBILLFUSA-N 1 0 393.487 3.955 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cnc(-c2ccccc2)s1 ZINC000247062721 891340155 /nfs/dbraw/zinc/34/01/55/891340155.db2.gz BOXDJSGRSAESHK-QFBILLFUSA-N 1 0 392.528 3.846 10 0 GHAERO Cc1sc(-c2ccco2)nc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247291781 891363810 /nfs/dbraw/zinc/36/38/10/891363810.db2.gz UEMXPXONPQWRJZ-PBHICJAKSA-N 1 0 396.516 3.747 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Cc1ccccc1C(F)(F)F ZINC000247312247 891365249 /nfs/dbraw/zinc/36/52/49/891365249.db2.gz WCZVMRNPWOOUDB-HNAYVOBHSA-N 1 0 391.437 3.670 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCc1cc2ccccc2o1 ZINC000247545917 891383421 /nfs/dbraw/zinc/38/34/21/891383421.db2.gz RQPYYHOBMPVYDN-OXQOHEQNSA-N 1 0 378.476 3.538 10 0 GHAERO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1Cc2ccccc2[C@H]1O ZINC000248137823 891412228 /nfs/dbraw/zinc/41/22/28/891412228.db2.gz PGOJPJILZMNIBF-JLBUNGTFSA-N 1 0 378.394 3.670 10 0 GHAERO Cc1cnc([C@H](C)CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2ccnc2)s1 ZINC000248633295 891448424 /nfs/dbraw/zinc/44/84/24/891448424.db2.gz PPSDQZTVHWXTBT-NIKGAXFTSA-N 1 0 395.532 3.980 10 0 GHAERO Cc1c(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cccc1N1CCOC1=O ZINC000248986568 891486164 /nfs/dbraw/zinc/48/61/64/891486164.db2.gz FCXTYTZWPGYRMU-ICSRJNTNSA-N 1 0 394.475 3.519 10 0 GHAERO C[N@@H+]1CC[C@H](CN[C@@H](c2ncc[nH]2)c2cccnc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249107002 891495497 /nfs/dbraw/zinc/49/54/97/891495497.db2.gz PRVSZMGBZXOPKS-NSISKUIASA-N 1 0 399.901 3.969 10 0 GHAERO C[N@@H+]1CC[C@H](NC(=O)c2cc(Br)ncc2Cl)[C@H]1c1ccccc1 ZINC000251723029 891642754 /nfs/dbraw/zinc/64/27/54/891642754.db2.gz LWJFAYOCZLTRDZ-GOEBONIOSA-N 1 0 394.700 3.673 10 0 GHAERO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)C[C@H]1c1ccccc1 ZINC000261741477 892094786 /nfs/dbraw/zinc/09/47/86/892094786.db2.gz MTLWDZKMNSLVCB-MDNKFWRPSA-N 1 0 399.332 3.754 10 0 GHAERO [NH3+][C@@H]1CCC[C@H]2CN(c3ccc(-c4ccc(Br)s4)nn3)C[C@@H]21 ZINC000333128659 899985415 /nfs/dbraw/zinc/98/54/15/899985415.db2.gz AQLSGYNXZVNIAK-SDDRHHMPSA-N 1 0 379.327 3.531 10 0 GHAERO COc1cc(Br)cc(C)c1NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333160155 900005005 /nfs/dbraw/zinc/00/50/05/900005005.db2.gz NSUJDXGXNSMTBN-OAHLLOKOSA-N 1 0 396.329 3.762 10 0 GHAERO [NH3+][C@H]1CCCO[C@H]1C1CCN(c2nccc3cc(Br)ccc32)CC1 ZINC000333497349 902137020 /nfs/dbraw/zinc/13/70/20/902137020.db2.gz FAXUWJFFRNOHQS-ROUUACIJSA-N 1 0 390.325 3.720 10 0 GHAERO CCC[N@H+](Cc1ncc([C@@H](C)O)s1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000366041433 921293036 /nfs/dbraw/zinc/29/30/36/921293036.db2.gz SJUKGHUKSHWZOZ-MRXNPFEDSA-N 1 0 387.549 3.713 10 0 GHAERO Cc1nc([C@@H]2CCCN2C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cs1 ZINC000186889142 908001527 /nfs/dbraw/zinc/00/15/27/908001527.db2.gz IMNWKAWDQACQRD-FQEVSTJZSA-N 1 0 399.564 3.881 10 0 GHAERO Cc1cc(N[C@H](C)C[NH+](C)C)nc(NC(=N)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000001726885 206292206 /nfs/dbraw/zinc/29/22/06/206292206.db2.gz UQSICRIQSJCNHK-LLVKDONJSA-N 1 0 396.326 3.913 10 0 GHAERO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)c1cn(C3CCCCC3)c3ccccc3c1=O)C2 ZINC000103283924 206303099 /nfs/dbraw/zinc/30/30/99/206303099.db2.gz RFXHBILZLMJCSN-GGPHIMKMSA-N 1 0 393.531 3.862 10 0 in-man GHAERO CCCOc1cccc(C[NH2+]CCCSc2nnnn2-c2ccccc2)c1 ZINC000020925023 207219038 /nfs/dbraw/zinc/21/90/38/207219038.db2.gz JKIPMUXQTQOUFI-UHFFFAOYSA-N 1 0 383.521 3.723 10 0 GHAERO COc1cccc2c1OCC(CN1CCC[C@H]([N@@H+]3CCc4ccccc4C3)C1)=C2 ZINC000022913277 207262887 /nfs/dbraw/zinc/26/28/87/207262887.db2.gz ANBIKPYWPFPSBH-QHCPKHFHSA-N 1 0 390.527 3.994 10 0 GHAERO O=c1cc(-c2ccccn2)nc(-c2ccccc2C[NH+]2CCC(F)(F)CC2)[nH]1 ZINC000023340063 207275566 /nfs/dbraw/zinc/27/55/66/207275566.db2.gz AGKIXKGHGLNZGM-UHFFFAOYSA-N 1 0 382.414 3.730 10 0 GHAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]Cc2ccnc(Br)c2)C1 ZINC000095085348 208153285 /nfs/dbraw/zinc/15/32/85/208153285.db2.gz HVTPTKGORVIFBZ-CQSZACIVSA-N 1 0 384.318 3.581 10 0 GHAERO O[C@H]1CC[C@@H](Cc2cc(-c3ccccc3)on2)O[C@@H]1C[NH2+]CC1CCCCC1 ZINC000096268981 209014506 /nfs/dbraw/zinc/01/45/06/209014506.db2.gz KWLVEPXMUDQPJM-QNWVGRARSA-N 1 0 384.520 3.963 10 0 GHAERO [NH3+][C@@H]1CCN(c2cc(-c3ccccn3)nc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000073684079 527363588 /nfs/dbraw/zinc/36/35/88/527363588.db2.gz IEPYIUBRGVXKSF-OAHLLOKOSA-N 1 0 385.393 3.762 10 0 GHAERO COc1ccc(CC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000011874575 570442349 /nfs/dbraw/zinc/44/23/49/570442349.db2.gz IFYUDVYDAUZTKX-SFHVURJKSA-N 1 0 386.923 3.920 10 0 GHAERO CCCC[C@@H]1C[N@H+](CCC(=O)NCc2cccc(C)n2)Cc2ccccc2O1 ZINC000011881985 570443467 /nfs/dbraw/zinc/44/34/67/570443467.db2.gz ARBGBRBWRTVOOU-OAQYLSRUSA-N 1 0 381.520 3.850 10 0 GHAERO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(C(=O)c2ccccc2N2CCCC2)C1 ZINC000011938197 570594635 /nfs/dbraw/zinc/59/46/35/570594635.db2.gz QIXNTWKSCAPWHT-NRFANRHFSA-N 1 0 392.547 3.809 10 0 GHAERO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(OC)c(OC)c1Cl ZINC000275517058 570695138 /nfs/dbraw/zinc/69/51/38/570695138.db2.gz KUNMMDSQDNBRPK-YOEHRIQHSA-N 1 0 379.888 3.584 10 0 GHAERO C[C@@]12CCC[N@@H+]1C[C@H](c1noc(-c3cc(F)cc(Br)c3)n1)OC2 ZINC000329619551 835435962 /nfs/dbraw/zinc/43/59/62/835435962.db2.gz TYLBXVVDGHMBDY-CJNGLKHVSA-N 1 0 382.233 3.564 10 0 GHAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000329626323 835462293 /nfs/dbraw/zinc/46/22/93/835462293.db2.gz GQSZYOBQJGAVEO-YJBOKZPZSA-N 1 0 383.517 3.699 10 0 GHAERO CCc1cc(N2CCC([NH2+][C@@H](C)c3ccc(OC)c(COC)c3)CC2)ncn1 ZINC000159086048 835724098 /nfs/dbraw/zinc/72/40/98/835724098.db2.gz VUKZVXQJGBWXRC-INIZCTEOSA-N 1 0 384.524 3.514 10 0 GHAERO O=C(C[N@H+]1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1)N(C1CC1)C1CCCC1 ZINC000329732399 835810784 /nfs/dbraw/zinc/81/07/84/835810784.db2.gz IUGLNDAQGGLAJN-CYBMUJFWSA-N 1 0 384.446 3.542 10 0 GHAERO CSc1ccc(NC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1Cl ZINC000333201676 844228539 /nfs/dbraw/zinc/22/85/39/844228539.db2.gz XZDXGWWBGDSGIN-DOTOQJQBSA-N 1 0 383.945 3.812 10 0 GHAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000179893082 838555621 /nfs/dbraw/zinc/55/56/21/838555621.db2.gz MUVHCPWUZPXMJJ-OXJNMPFZSA-N 1 0 384.524 3.906 10 0 GHAERO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000330103168 839508607 /nfs/dbraw/zinc/50/86/07/839508607.db2.gz GBWIGSYFMNVIDU-NFBKMPQASA-N 1 0 385.552 3.874 10 0 GHAERO Cc1cc(=O)n2nc(C[N@@H+]3CCC[C@H]3[C@@H]3CCCc4ccccc43)sc2n1 ZINC000363917347 839559196 /nfs/dbraw/zinc/55/91/96/839559196.db2.gz KNMDOMWBVCVRKY-MSOLQXFVSA-N 1 0 380.517 3.544 10 0 GHAERO Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3C[C@H]4CCC[N@H+]4C[C@H]3C)c12 ZINC000247505280 842715825 /nfs/dbraw/zinc/71/58/25/842715825.db2.gz VJAGUJYOARLFFU-CXAGYDPISA-N 1 0 394.450 3.646 10 0 GHAERO CC[NH+](CC)CCOc1cc(NC(=O)/C=C\c2ncccc2C)ccc1OC ZINC000588452602 843310691 /nfs/dbraw/zinc/31/06/91/843310691.db2.gz GRGFCKAJZBRDDH-BENRWUELSA-N 1 0 383.492 3.771 10 0 GHAERO C[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(F)cc1F ZINC000152038222 846165040 /nfs/dbraw/zinc/16/50/40/846165040.db2.gz NYDFRBCBOVUYTB-XFQAVAEZSA-N 1 0 387.474 3.880 10 0 GHAERO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)/C=C/c2cccc3cccnc23)CC1 ZINC000155279368 849492424 /nfs/dbraw/zinc/49/24/24/849492424.db2.gz JKIOREUFWKBPEJ-DVBCCOPCSA-N 1 0 386.499 3.985 10 0 GHAERO Cn1ccnc1CC1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000165177266 854767027 /nfs/dbraw/zinc/76/70/27/854767027.db2.gz ISBFALOUDQIXKB-UHFFFAOYSA-N 1 0 394.563 3.504 10 0 GHAERO COc1ccc(OC)c([C@H](C)NC(=O)C[NH2+][C@H](C)c2cccc(Cl)c2)c1 ZINC000102686318 860838683 /nfs/dbraw/zinc/83/86/83/860838683.db2.gz JDRUZQCKVZLCLX-KGLIPLIRSA-N 1 0 376.884 3.885 10 0 GHAERO COc1ccccc1[C@H]1CCC[C@@H](C)[N@@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000329064391 860987837 /nfs/dbraw/zinc/98/78/37/860987837.db2.gz KMTGNKNTGYUCHF-SJLPKXTDSA-N 1 0 385.508 3.680 10 0 GHAERO C[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccc2c(c1)OCCO2 ZINC000177303653 863321071 /nfs/dbraw/zinc/32/10/71/863321071.db2.gz VTUJUIJJXGCCGD-MRXNPFEDSA-N 1 0 387.524 3.615 10 0 GHAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000103285808 863939165 /nfs/dbraw/zinc/93/91/65/863939165.db2.gz ZWIDGHALHOPFSR-DOTOQJQBSA-N 1 0 396.922 3.824 10 0 GHAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000103309155 863952169 /nfs/dbraw/zinc/95/21/69/863952169.db2.gz SUMBCCNTFKXBKE-XZOQPEGZSA-N 1 0 388.515 3.643 10 0 GHAERO O=C(CN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1)NC1CCCCC1 ZINC000102401014 865117113 /nfs/dbraw/zinc/11/71/13/865117113.db2.gz JIWOIGHOQZCZSH-MRXNPFEDSA-N 1 0 386.471 3.504 10 0 GHAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)N[C@@H](c3ccccc3)C(C)(C)C)C2)CC1 ZINC000091846416 882186974 /nfs/dbraw/zinc/18/69/74/882186974.db2.gz SNAJPBBBHCMFGX-RTWAWAEBSA-N 1 0 386.584 3.585 10 0 GHAERO CCc1nccn1[C@@H]1CCCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](CC)C2)C1 ZINC000153055817 869043104 /nfs/dbraw/zinc/04/31/04/869043104.db2.gz WBOCDEFNFABMBE-RBUKOAKNSA-N 1 0 389.588 3.693 10 0 GHAERO Cc1cc(NC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)ccc1C(F)(F)F ZINC000174295768 882445614 /nfs/dbraw/zinc/44/56/14/882445614.db2.gz LDNKLNGNNNGUJV-AWEZNQCLSA-N 1 0 385.430 3.731 10 0 GHAERO O=C(c1ccc(Sc2ccccc2Cl)nn1)N1CCC[N@@H+](C2CC2)CC1 ZINC000174390954 882461810 /nfs/dbraw/zinc/46/18/10/882461810.db2.gz IUBXCANAUOKXFC-UHFFFAOYSA-N 1 0 388.924 3.592 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1csc(-c2ccsc2)n1 ZINC000116245162 873365665 /nfs/dbraw/zinc/36/56/65/873365665.db2.gz BWAVIOXDKVISQF-PBHICJAKSA-N 1 0 398.557 3.907 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc(F)cc1Cl ZINC000116475424 873512872 /nfs/dbraw/zinc/51/28/72/873512872.db2.gz BNYFQSFWMSJQNN-DYVFJYSZSA-N 1 0 376.863 3.906 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cc(F)c(F)c(F)c1 ZINC000119128539 874938542 /nfs/dbraw/zinc/93/85/42/874938542.db2.gz YWZDSIWQPSICRQ-SJCJKPOMSA-N 1 0 378.398 3.531 10 0 GHAERO C[C@H](NC1CC[NH+](CC2CCCC2)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000178159087 882891389 /nfs/dbraw/zinc/89/13/89/882891389.db2.gz GKNSJOCESNHLHB-HNNXBMFYSA-N 1 0 382.545 3.534 10 0 GHAERO C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccc4c(c3)CC(C)(C)O4)cn2)C[C@@H](C)O1 ZINC000105419226 875290452 /nfs/dbraw/zinc/29/04/52/875290452.db2.gz CCVNQAHYPBLVFH-IAGOWNOFSA-N 1 0 381.520 3.699 10 0 GHAERO C[N@@H+](Cc1ccc(F)cc1)Cn1ccc(=O)c2cccc(Br)c21 ZINC000105604277 875346508 /nfs/dbraw/zinc/34/65/08/875346508.db2.gz RIODNLQHRMJDBJ-UHFFFAOYSA-N 1 0 375.241 3.993 10 0 GHAERO COc1cc(C[NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)ccc1O ZINC000180108149 883019892 /nfs/dbraw/zinc/01/98/92/883019892.db2.gz GKNPVIJQIQYLSI-UHFFFAOYSA-N 1 0 381.398 3.573 10 0 GHAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)Nc3ccc4c5c(cccc53)CC4)C2)CC1 ZINC000180107452 883020483 /nfs/dbraw/zinc/02/04/83/883020483.db2.gz UENHIRVGEDNXQQ-HXUWFJFHSA-N 1 0 392.547 3.572 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+]C2CCN(c3ccccc3)CC2)c2ccc(F)cc2C1 ZINC000184518618 883351741 /nfs/dbraw/zinc/35/17/41/883351741.db2.gz WFJBRHBXNCVQBL-QHCPKHFHSA-N 1 0 381.495 3.878 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c2ccc(F)cc2C1 ZINC000184538850 883353753 /nfs/dbraw/zinc/35/37/53/883353753.db2.gz WYTQUUWGXDTXFW-QRQCRPRQSA-N 1 0 393.466 3.551 10 0 GHAERO O=S1(=O)CC[C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)c2ccccc21 ZINC000186305438 883630840 /nfs/dbraw/zinc/63/08/40/883630840.db2.gz MTDRYOAEJMDVLI-SCLBCKFNSA-N 1 0 394.899 3.566 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)CCCCCc3ccc(F)cc3)CC2)CCO1 ZINC000189372564 883941971 /nfs/dbraw/zinc/94/19/71/883941971.db2.gz QRVKNELVDFFNAA-GOSISDBHSA-N 1 0 376.516 3.640 10 0 GHAERO Brc1ccc([C@@H]([NH2+]Cc2cccnc2-n2cncn2)C2CC2)s1 ZINC000190584966 884090315 /nfs/dbraw/zinc/09/03/15/884090315.db2.gz FOOVDDXHVBKCOS-HNNXBMFYSA-N 1 0 390.310 3.727 10 0 GHAERO CCCN(CCc1ccccn1)C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000105222217 884693545 /nfs/dbraw/zinc/69/35/45/884693545.db2.gz MNODFURVCDOGIC-FQEVSTJZSA-N 1 0 384.524 3.784 10 0 GHAERO CO[C@@H](C)c1cccc(NC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000105720299 884842175 /nfs/dbraw/zinc/84/21/75/884842175.db2.gz TYLGQCSEYADSIF-SFHVURJKSA-N 1 0 396.535 3.960 10 0 GHAERO CCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000193595995 885800144 /nfs/dbraw/zinc/80/01/44/885800144.db2.gz KGHIBJNWHGVBIM-UHFFFAOYSA-N 1 0 378.904 3.781 10 0 GHAERO O=C(c1cc2ccc(Br)cc2[nH]1)N1CCC([NH+]2CCCC2)CC1 ZINC000104405044 886002906 /nfs/dbraw/zinc/00/29/06/886002906.db2.gz VZMZTDAMOYAKIT-UHFFFAOYSA-N 1 0 376.298 3.631 10 0 GHAERO CCCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116568682 886365187 /nfs/dbraw/zinc/36/51/87/886365187.db2.gz FEUJMNDZCFICDD-UGKGYDQZSA-N 1 0 380.536 3.914 10 0 GHAERO COc1ccccc1C(C)(C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116544790 886366327 /nfs/dbraw/zinc/36/63/27/886366327.db2.gz NUCBYJLFZQLJLH-PXNSSMCTSA-N 1 0 396.535 3.535 10 0 GHAERO CCC(CC)[C@@H](CNC(=O)CCc1nnc(-c2ccsc2)o1)[NH+]1CCCC1 ZINC000042545257 886796955 /nfs/dbraw/zinc/79/69/55/886796955.db2.gz UTMYPOVEWDCJBQ-QGZVFWFLSA-N 1 0 390.553 3.748 10 0 GHAERO Cc1c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)cnn1-c1ccccn1 ZINC000126142738 886937070 /nfs/dbraw/zinc/93/70/70/886937070.db2.gz XWLPMXGSWKNFQV-NPPFBWRTSA-N 1 0 390.535 3.532 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cc(-c2ccccc2)on1 ZINC000127194215 887037859 /nfs/dbraw/zinc/03/78/59/887037859.db2.gz QUUXKNLOVXBEHG-APWZRJJASA-N 1 0 391.475 3.769 10 0 GHAERO Cc1csc(C2CC[NH+](Cc3c(C)nn(C)c3OCC(F)(F)F)CC2)n1 ZINC000127544842 887073646 /nfs/dbraw/zinc/07/36/46/887073646.db2.gz LCCPBUZDZCWOML-UHFFFAOYSA-N 1 0 388.459 3.814 10 0 GHAERO O=C(Cc1nc(C[NH2+][C@H]2CCCC[C@H]2n2cccn2)cs1)Nc1ccccc1 ZINC000128294901 887166692 /nfs/dbraw/zinc/16/66/92/887166692.db2.gz VJZMXHBFXXBINF-RBUKOAKNSA-N 1 0 395.532 3.794 10 0 GHAERO O=C(Cc1nc(C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)cs1)Nc1ccccc1 ZINC000128294134 887166989 /nfs/dbraw/zinc/16/69/89/887166989.db2.gz VJZMXHBFXXBINF-MOPGFXCFSA-N 1 0 395.532 3.794 10 0 GHAERO C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(O)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245736038 889567730 /nfs/dbraw/zinc/56/77/30/889567730.db2.gz UTELNCOXDUQUMN-MGPUTAFESA-N 1 0 376.859 3.536 10 0 GHAERO C[C@H](NC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccncc1 ZINC000245759142 889658032 /nfs/dbraw/zinc/65/80/32/889658032.db2.gz ZAILFJQHLPKXPK-AXHNFQJDSA-N 1 0 390.890 3.927 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1cccc(Oc2cnccn2)c1 ZINC000245928398 890032934 /nfs/dbraw/zinc/03/29/34/890032934.db2.gz TXFPPJGNIAALOC-DYESRHJHSA-N 1 0 375.476 3.986 10 0 GHAERO O[C@@H](C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1)c1ccccc1C(F)(F)F ZINC000245945054 890055607 /nfs/dbraw/zinc/05/56/07/890055607.db2.gz BIRLDXZLKAOGPZ-DYVFJYSZSA-N 1 0 380.414 3.545 10 0 GHAERO Cn1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c(-c2ccncc2)n1 ZINC000246094305 890353441 /nfs/dbraw/zinc/35/34/41/890353441.db2.gz IVEVHAMBPYQCKT-NHCUHLMSSA-N 1 0 380.467 3.709 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCCc1ccc(F)c(F)c1 ZINC000246228682 890780270 /nfs/dbraw/zinc/78/02/70/890780270.db2.gz WTWBBQJVPCUNNT-HRAATJIYSA-N 1 0 387.474 3.709 10 0 GHAERO CCC(=O)c1ccc(OCCCCC(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000066635140 891125928 /nfs/dbraw/zinc/12/59/28/891125928.db2.gz NMLLHYJBOJGBBK-UHFFFAOYSA-N 1 0 386.536 3.915 10 0 GHAERO Cc1cccc2[nH]c(CCC(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)nc21 ZINC000246408716 891230246 /nfs/dbraw/zinc/23/02/46/891230246.db2.gz RFYYBWCNMJMFED-MOPGFXCFSA-N 1 0 382.552 3.917 10 0 GHAERO COCCCOc1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000246439243 891240472 /nfs/dbraw/zinc/24/04/72/891240472.db2.gz DGXNLQPXBZAFRI-MOPGFXCFSA-N 1 0 375.513 3.581 10 0 GHAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)cc1Cn1cccn1 ZINC000246460769 891254870 /nfs/dbraw/zinc/25/48/70/891254870.db2.gz PVQAIZALZRJVFU-SCWSEQNSSA-N 1 0 387.549 3.645 10 0 GHAERO C[C@H](O)c1ccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000246517884 891283437 /nfs/dbraw/zinc/28/34/37/891283437.db2.gz OJFUIMFOBGNTBE-KGVIQGDOSA-N 1 0 381.520 3.592 10 0 GHAERO C[N@@H+]1CCC[C@@H]2CN(CC(=O)Nc3c(Cl)cccc3C(F)(F)F)CC[C@H]21 ZINC000247024717 891334532 /nfs/dbraw/zinc/33/45/32/891334532.db2.gz QNBPKZFHEATKME-IUODEOHRSA-N 1 0 389.849 3.713 10 0 GHAERO Cc1nnc(-c2ccccc2C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)o1 ZINC000247072370 891341479 /nfs/dbraw/zinc/34/14/79/891341479.db2.gz QFWYQKDXULPXMX-SJLPKXTDSA-N 1 0 382.508 3.772 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(OCC2CC2)cc1 ZINC000247074008 891342047 /nfs/dbraw/zinc/34/20/47/891342047.db2.gz CKVZLAARVQCCEV-HTAPYJJXSA-N 1 0 379.504 3.511 10 0 GHAERO CCc1cccc2c(CC(=O)N[C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)c[nH]c21 ZINC000247165507 891350661 /nfs/dbraw/zinc/35/06/61/891350661.db2.gz JGMPHRVBCXQLLD-VGOFRKELSA-N 1 0 390.531 3.695 10 0 GHAERO COc1cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cc(OC)c1OC ZINC000247305920 891365093 /nfs/dbraw/zinc/36/50/93/891365093.db2.gz ZYQLLERLRCOLFU-JKSUJKDBSA-N 1 0 377.506 3.862 10 0 GHAERO COc1ccc([C@H](C)N(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000247569973 891387297 /nfs/dbraw/zinc/38/72/97/891387297.db2.gz WKSBKFIEZLLGSG-KGVIQGDOSA-N 1 0 396.535 3.703 10 0 GHAERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3csc(-c4c(F)cccc4F)n3)CC[C@H]21 ZINC000248169524 891414418 /nfs/dbraw/zinc/41/44/18/891414418.db2.gz ULUQWWBSVUKNGW-BLLLJJGKSA-N 1 0 377.460 3.645 10 0 GHAERO CC(=O)Nc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000249046412 891490344 /nfs/dbraw/zinc/49/03/44/891490344.db2.gz FDROSIJGQINTTN-OXJNMPFZSA-N 1 0 379.504 3.736 10 0 GHAERO COc1cc(C)c(NC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1F ZINC000249440320 891507415 /nfs/dbraw/zinc/50/74/15/891507415.db2.gz LZSCWOPXSTWBDY-QAPCUYQASA-N 1 0 386.471 3.570 10 0 GHAERO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ncc(Br)cc1F ZINC000250126609 891538723 /nfs/dbraw/zinc/53/87/23/891538723.db2.gz WIXCKZLZYYCSAH-WBIUFABUSA-N 1 0 375.307 3.689 10 0 GHAERO Cc1ccc(NC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1C(F)(F)F ZINC000333093689 899954130 /nfs/dbraw/zinc/95/41/30/899954130.db2.gz CUZXRFOJCJZECG-IAGOWNOFSA-N 1 0 385.430 3.764 10 0 GHAERO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2ccccc2OC2CCCC2)CC1 ZINC000333100925 899960786 /nfs/dbraw/zinc/96/07/86/899960786.db2.gz DVOMUWMBTFMGQV-WIYYLYMNSA-N 1 0 387.524 3.758 10 0 GHAERO C[C@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1cnn(-c2ccc(F)cc2)c1 ZINC000333200812 900031030 /nfs/dbraw/zinc/03/10/30/900031030.db2.gz ZAXGGZYJOHHVGY-PGYGGLOZSA-N 1 0 398.526 3.945 10 0 GHAERO O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)N1CCC2(CC[NH2+]CC2)CC1 ZINC000333296419 901982898 /nfs/dbraw/zinc/98/28/98/901982898.db2.gz IJPQUKRVDUMERX-IBGZPJMESA-N 1 0 383.536 3.998 10 0 GHAERO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2ccnc3c(Br)cccc23)CC1 ZINC000333645861 902243433 /nfs/dbraw/zinc/24/34/33/902243433.db2.gz IYQUMQYWYNBPHS-VQIMIIECSA-N 1 0 390.325 3.720 10 0 GHAERO COc1ccc(C2(CNC(=O)N3CCC4(CC[NH2+]C4)CC3)CCCCC2)cc1 ZINC000333845076 902366065 /nfs/dbraw/zinc/36/60/65/902366065.db2.gz VYUDPMQREXYSDU-UHFFFAOYSA-N 1 0 385.552 3.682 10 0 GHAERO C[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ncc(C(=O)[O-])s1 ZINC000703531988 977168728 /nfs/dbraw/zinc/16/87/28/977168728.db2.gz RVAMSOZMCYQEJG-DOTOQJQBSA-N 1 0 385.533 3.794 10 0 GHAERO CN1c2cc(F)ccc2C(c2ccccc2)=[NH+]C[C@@H]1CNC(=O)c1ccoc1 ZINC000000607947 206307811 /nfs/dbraw/zinc/30/78/11/206307811.db2.gz QJSCDZOUCFWCKD-GOSISDBHSA-N 1 0 377.419 3.505 10 0 in-man GHAERO CCOc1cc(CN2CCC[C@H]([N@H+](CC)Cc3ccncc3)C2)ccc1OC ZINC000019741209 207158491 /nfs/dbraw/zinc/15/84/91/207158491.db2.gz BSOSVDKLNUNTFS-NRFANRHFSA-N 1 0 383.536 3.975 10 0 GHAERO O[C@@H](C[NH2+]Cc1ccc(Br)s1)COc1ccccc1Cl ZINC000037984938 207246597 /nfs/dbraw/zinc/24/65/97/207246597.db2.gz WUVRVMDWBOVWTA-JTQLQIEISA-N 1 0 376.703 3.694 10 0 GHAERO NC(=O)C1CC[NH+](CCCCOc2ccccc2CCc2ccccc2)CC1 ZINC000029488889 207363080 /nfs/dbraw/zinc/36/30/80/207363080.db2.gz ROWPAXNVXWTPHF-UHFFFAOYSA-N 1 0 380.532 3.828 10 0 GHAERO C[N@@H+](Cc1ccc(Br)nc1)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000095075345 208152793 /nfs/dbraw/zinc/15/27/93/208152793.db2.gz VVYMITYPMBRULD-CQSZACIVSA-N 1 0 384.318 3.675 10 0 GHAERO Brc1ccc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)cc1Br ZINC000725269611 570327358 /nfs/dbraw/zinc/32/73/58/570327358.db2.gz NSVYXDNXXKWZJL-BXUZGUMPSA-N 1 0 375.104 3.726 10 0 GHAERO COc1ccc(CN2C[C@@H]3C[C@@H](c4ccccc4C)[N@@H+]4CCC[C@@]34C2=O)cc1 ZINC000011843420 570587658 /nfs/dbraw/zinc/58/76/58/570587658.db2.gz JXVMWOZNJBJMDP-APTRMMRNSA-N 1 0 376.500 3.942 10 0 GHAERO CN(C[C@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)c1noc2c1CCCC2 ZINC000012386862 570651936 /nfs/dbraw/zinc/65/19/36/570651936.db2.gz GSJKXTKVHCJBGD-QGZVFWFLSA-N 1 0 399.510 3.719 10 0 GHAERO Cc1ccc(N2CCC(NC(=O)c3oc4ccccc4c3C[NH+](C)C)CC2)nc1 ZINC000157778375 835088536 /nfs/dbraw/zinc/08/85/36/835088536.db2.gz UILVNAGFCLXTJO-UHFFFAOYSA-N 1 0 392.503 3.597 10 0 GHAERO [NH3+]C1(C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)Cc2ccccc2C1 ZINC000159046278 835701702 /nfs/dbraw/zinc/70/17/02/835701702.db2.gz KQECLWDVCZGBRB-NDEPHWFRSA-N 1 0 396.556 3.703 10 0 GHAERO NC(=O)CCC1CCN(C(=O)[C@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CC1 ZINC000328620409 836511839 /nfs/dbraw/zinc/51/18/39/836511839.db2.gz WVJHKOGWNLYNST-OFNKIYASSA-N 1 0 383.536 3.843 10 0 GHAERO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000103176592 837272372 /nfs/dbraw/zinc/27/23/72/837272372.db2.gz BYVBMROFLXWFIH-UNMCSNQZSA-N 1 0 390.487 3.900 10 0 GHAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl ZINC000120737221 840193429 /nfs/dbraw/zinc/19/34/29/840193429.db2.gz MEIKYNCPGJDXPW-DZGCQCFKSA-N 1 0 392.931 3.569 10 0 GHAERO Cc1cc(-c2cc(C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)c3c(C)noc3n2)c(C)o1 ZINC000408145023 841140943 /nfs/dbraw/zinc/14/09/43/841140943.db2.gz PFWGWKCACQCVPN-KXBFYZLASA-N 1 0 394.475 3.574 10 0 GHAERO CCn1cc(C2CCN(C(=O)N[C@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)CC2)cn1 ZINC000332871688 844616758 /nfs/dbraw/zinc/61/67/58/844616758.db2.gz RSQMITBJZZQUTI-AVRDEDQJSA-N 1 0 395.551 3.628 10 0 GHAERO Cc1noc2nc(-c3ccccc3)cc(C(=O)N3C[C@H]4CCC[N@H+]4C[C@H]3C)c12 ZINC000408155005 841290906 /nfs/dbraw/zinc/29/09/06/841290906.db2.gz SCYFIGUKMWKCIF-RHSMWYFYSA-N 1 0 376.460 3.507 10 0 GHAERO COc1cccc([C@@H]2[C@@H](NC(=O)/C=C\c3ccc(O)cc3)CC[N@@H+]2C2CC2)c1 ZINC000588466451 843730802 /nfs/dbraw/zinc/73/08/02/843730802.db2.gz CBYNRDHQXPWQAM-IGGMBJJLSA-N 1 0 378.472 3.508 10 0 GHAERO O=C(c1c[nH]c2cccc(Br)c12)N1CCC([NH+]2CCCC2)CC1 ZINC000152458860 847124465 /nfs/dbraw/zinc/12/44/65/847124465.db2.gz KNNWXQVUZAEALQ-UHFFFAOYSA-N 1 0 376.298 3.631 10 0 GHAERO C[C@H](CNC(=O)NCCCC[NH+]1CCOCC1)c1c(Cl)cccc1Cl ZINC000101982141 852092086 /nfs/dbraw/zinc/09/20/86/852092086.db2.gz LCCVPZHPWIHGSW-CQSZACIVSA-N 1 0 388.339 3.509 10 0 GHAERO Cc1c([C@H]2[C@H]([NH2+][C@@H]3C[C@@H](C)C[C@H](c4ccccc4)C3)CC(=O)N2C)cnn1C ZINC000329910589 862417121 /nfs/dbraw/zinc/41/71/21/862417121.db2.gz VYDIWNRXSCGZTO-RWBFXERSSA-N 1 0 380.536 3.562 10 0 GHAERO Cc1cc(-c2cc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)c3c(C)noc3n2)c(C)s1 ZINC000171756727 853795192 /nfs/dbraw/zinc/79/51/92/853795192.db2.gz SVUZKTMBRCVCIE-HNNXBMFYSA-N 1 0 396.516 3.797 10 0 GHAERO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC2C3CC4CC(C3)CC2C4)CC1 ZINC000157264689 853829773 /nfs/dbraw/zinc/82/97/73/853829773.db2.gz QIZRBSNHBUVYAJ-CDYZOSCDSA-N 1 0 382.552 3.731 10 0 GHAERO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1F ZINC000102699603 860570735 /nfs/dbraw/zinc/57/07/35/860570735.db2.gz KGVUBOZOFXOULJ-CQSZACIVSA-N 1 0 396.466 3.926 10 0 GHAERO Cc1cc(N2CCC[C@H]([NH2+][C@@H]3C[C@H](C)Sc4sccc43)C2=O)n(C)n1 ZINC000329238980 861183301 /nfs/dbraw/zinc/18/33/01/861183301.db2.gz QAFXITLLWGBNEH-AEGPPILISA-N 1 0 376.551 3.501 10 0 GHAERO C[C@H](CC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1)C1CC[NH2+]CC1 ZINC000168904426 881927990 /nfs/dbraw/zinc/92/79/90/881927990.db2.gz YFTOYBBJMZQBKL-YLJYHZDGSA-N 1 0 380.536 3.809 10 0 GHAERO O=C(c1cccc(-n2nccc2C(F)(F)F)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000171506214 882136358 /nfs/dbraw/zinc/13/63/58/882136358.db2.gz IRMJSVHSDLFBMO-UHFFFAOYSA-N 1 0 392.425 3.592 10 0 GHAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)N[C@@H](c3ccccc3)C(C)(C)C)C2)CC1 ZINC000091846409 882187347 /nfs/dbraw/zinc/18/73/47/882187347.db2.gz SNAJPBBBHCMFGX-SFTDATJTSA-N 1 0 386.584 3.585 10 0 GHAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)c3ccccc3Nc3ccccc3)C2)CC1 ZINC000173280519 882346173 /nfs/dbraw/zinc/34/61/73/882346173.db2.gz FAHXFJCSLYCTQW-OAQYLSRUSA-N 1 0 392.547 3.672 10 0 GHAERO Cc1ccc(-c2ncc(C[NH+]3CCC(c4ccnn4CCO)CC3)s2)cc1 ZINC000092811424 882439553 /nfs/dbraw/zinc/43/95/53/882439553.db2.gz GXRJXCUYGYMJOB-UHFFFAOYSA-N 1 0 382.533 3.687 10 0 GHAERO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H](c2nccs2)C1)c1ccco1 ZINC000114826580 870755661 /nfs/dbraw/zinc/75/56/61/870755661.db2.gz MQOPRELNFIOTEG-CVEARBPZSA-N 1 0 376.526 3.708 10 0 GHAERO COCCCOC1CC[NH+](Cc2c(Cl)n(C)nc2-c2ccccc2)CC1 ZINC000093561571 882556415 /nfs/dbraw/zinc/55/64/15/882556415.db2.gz ATHIQPPALCNREI-UHFFFAOYSA-N 1 0 377.916 3.758 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCSc1ccc(F)cc1 ZINC000116252848 873371324 /nfs/dbraw/zinc/37/13/24/873371324.db2.gz RMIMNGOHZRDANF-JXFKEZNVSA-N 1 0 387.524 3.730 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc2ncsc2c1 ZINC000116484410 873514221 /nfs/dbraw/zinc/51/42/21/873514221.db2.gz JAQQXQHSIBWCCX-PBHICJAKSA-N 1 0 381.505 3.723 10 0 GHAERO COC(=O)[C@H]1C[C@H](c2ccccc2)C[N@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000178475256 882895413 /nfs/dbraw/zinc/89/54/13/882895413.db2.gz RCGMJOWSSQQJNZ-OALUTQOASA-N 1 0 377.444 3.515 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)c3cc(-c4ccccn4)ccc3Cl)CC2)CCO1 ZINC000179007900 882946220 /nfs/dbraw/zinc/94/62/20/882946220.db2.gz SHKQKMXSEBLTTR-INIZCTEOSA-N 1 0 399.922 3.727 10 0 GHAERO CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000180010685 883044225 /nfs/dbraw/zinc/04/42/25/883044225.db2.gz XLSGAXQNVOBHNA-KUHUBIRLSA-N 1 0 397.544 3.819 10 0 GHAERO CC[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1cc(F)cc(Br)c1 ZINC000181504414 883160220 /nfs/dbraw/zinc/16/02/20/883160220.db2.gz ZEOSWEOCIZYGJY-INIZCTEOSA-N 1 0 390.260 3.805 10 0 GHAERO CCn1cnnc1-c1cccc(N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000182859667 883245768 /nfs/dbraw/zinc/24/57/68/883245768.db2.gz HPIODDJDLQSTDC-LAUBAEHRSA-N 1 0 376.508 3.683 10 0 GHAERO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000184534437 883353962 /nfs/dbraw/zinc/35/39/62/883353962.db2.gz AMPYXQSGJGUVEH-RCDICMHDSA-N 1 0 383.467 3.928 10 0 GHAERO COc1cc(C)c(Br)cc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000184598897 883360464 /nfs/dbraw/zinc/36/04/64/883360464.db2.gz ODEKFXGDNIPTCK-UHFFFAOYSA-N 1 0 396.329 3.858 10 0 GHAERO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C1 ZINC000186631269 883676756 /nfs/dbraw/zinc/67/67/56/883676756.db2.gz SVYPKFLBHXNQTQ-HZPDHXFCSA-N 1 0 387.528 3.544 10 0 GHAERO O=C(Nc1ccc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)s1)Nc1ccccc1 ZINC000188700351 883871113 /nfs/dbraw/zinc/87/11/13/883871113.db2.gz UEULPIPSRAIPNM-UHFFFAOYSA-N 1 0 392.484 3.925 10 0 GHAERO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190434310 884080558 /nfs/dbraw/zinc/08/05/58/884080558.db2.gz OIKKNKNUDYQPOI-UHFFFAOYSA-N 1 0 384.505 3.668 10 0 GHAERO Cc1cc(F)c(Br)cc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000190931279 884133579 /nfs/dbraw/zinc/13/35/79/884133579.db2.gz MMNWZAZLTPLFAX-UHFFFAOYSA-N 1 0 384.293 3.989 10 0 GHAERO Cc1cccc2c1OCC[C@@H]2NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000191219222 884163825 /nfs/dbraw/zinc/16/38/25/884163825.db2.gz KNAWNLUKTFEHCQ-UTKZUKDTSA-N 1 0 394.519 3.738 10 0 GHAERO Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000104404843 886003050 /nfs/dbraw/zinc/00/30/50/886003050.db2.gz ZUGLUFBUISSDDK-ZHACJKMWSA-N 1 0 378.520 3.589 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc2nc(Cl)ccc2c1 ZINC000116467570 886361402 /nfs/dbraw/zinc/36/14/02/886361402.db2.gz BSHDQBMYFYTEFS-KXBFYZLASA-N 1 0 394.906 3.924 10 0 GHAERO CCSc1cc(Cl)ccc1C(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000125792019 886899399 /nfs/dbraw/zinc/89/93/99/886899399.db2.gz WTWIUUGQNWPDKC-QGZVFWFLSA-N 1 0 396.000 3.694 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)c3cc(Cl)cc(C(F)(F)F)c3)CC2)CCO1 ZINC000126957500 887018816 /nfs/dbraw/zinc/01/88/16/887018816.db2.gz FTPSYAVBSAQNOF-LBPRGKRZSA-N 1 0 390.833 3.684 10 0 GHAERO Cc1c([C@@H](C)[NH2+]C2CCN(c3cccc(C)n3)CC2)cnn1-c1ccccn1 ZINC000128102611 887145681 /nfs/dbraw/zinc/14/56/81/887145681.db2.gz JOQCAFXJMPHCHV-QGZVFWFLSA-N 1 0 376.508 3.599 10 0 GHAERO C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1ccccc1O2 ZINC000194079866 888554732 /nfs/dbraw/zinc/55/47/32/888554732.db2.gz POUVXYMHZAIAAQ-YOEHRIQHSA-N 1 0 383.319 3.675 10 0 GHAERO COc1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)ccc1Cl ZINC000194428818 888586165 /nfs/dbraw/zinc/58/61/65/888586165.db2.gz AGYQJFAERHJCLO-KDOFPFPSSA-N 1 0 388.899 3.776 10 0 GHAERO C[C@H](C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1cccnc1 ZINC000245643447 889145923 /nfs/dbraw/zinc/14/59/23/889145923.db2.gz ARXOLDXQLOCPNI-CRFBAAHOSA-N 1 0 375.875 3.787 10 0 GHAERO CN(C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCSC1 ZINC000245691830 889239861 /nfs/dbraw/zinc/23/98/61/889239861.db2.gz LXRXNVJRZYVYID-JKIFEVAISA-N 1 0 385.936 3.619 10 0 GHAERO Cc1cc(CN(C)C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)no1 ZINC000245706016 889336291 /nfs/dbraw/zinc/33/62/91/889336291.db2.gz OFWBHYYGMJDNRB-KDOFPFPSSA-N 1 0 394.878 3.610 10 0 GHAERO CC(=O)N(c1nc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cs1)c1ccccc1 ZINC000245850231 889860669 /nfs/dbraw/zinc/86/06/69/889860669.db2.gz BEBCYWGNXSYKCT-FXAWDEMLSA-N 1 0 384.549 3.744 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1cccc(CN2CCCCC2=O)c1 ZINC000245924207 890022724 /nfs/dbraw/zinc/02/27/24/890022724.db2.gz RPMVQYMGMLDFAH-AUSIDOKSSA-N 1 0 392.547 3.917 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1cc(-c2ccccc2)on1 ZINC000246371834 891081611 /nfs/dbraw/zinc/08/16/11/891081611.db2.gz QUUXKNLOVXBEHG-VQIMIIECSA-N 1 0 391.475 3.769 10 0 GHAERO Cc1noc(-c2ccccc2C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000246419277 891231159 /nfs/dbraw/zinc/23/11/59/891231159.db2.gz BSPQDTSXQUMLAI-QFBILLFUSA-N 1 0 390.487 3.828 10 0 GHAERO O=C(C[C@@H](O)c1ccc(Cl)cc1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000246547079 891286069 /nfs/dbraw/zinc/28/60/69/891286069.db2.gz WGJLDALWNTXXND-HNAYVOBHSA-N 1 0 392.952 3.853 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(Cc1ccccc1F)C1CC1 ZINC000247028506 891334475 /nfs/dbraw/zinc/33/44/75/891334475.db2.gz NHEJDSQVOZXEAW-HTAPYJJXSA-N 1 0 396.510 3.805 10 0 GHAERO C[C@H](CCc1cccc(F)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000247044315 891337286 /nfs/dbraw/zinc/33/72/86/891337286.db2.gz YDMKMMNRHRHNIY-KGVIQGDOSA-N 1 0 383.511 3.816 10 0 GHAERO C[C@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1cccc(N2CCCS2(=O)=O)c1 ZINC000247040476 891338532 /nfs/dbraw/zinc/33/85/32/891338532.db2.gz MTHUWZJXZIPQJX-LIRRHRJNSA-N 1 0 390.480 3.540 10 0 GHAERO Cc1cccc(CSCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247191581 891353529 /nfs/dbraw/zinc/35/35/29/891353529.db2.gz LENADAWMGFEWLA-WIYYLYMNSA-N 1 0 383.561 3.650 10 0 GHAERO CCS[C@@H]1CCC[C@H](NC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000247335465 891367777 /nfs/dbraw/zinc/36/77/77/891367777.db2.gz NDGRKUMHHGXAOE-BWPNAZKDSA-N 1 0 390.597 3.656 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCc1ccc(F)c(Cl)c1 ZINC000247557514 891384626 /nfs/dbraw/zinc/38/46/26/891384626.db2.gz UGBVZFXQGPRHSP-AUUYWEPGSA-N 1 0 390.890 3.584 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC000247744702 891394748 /nfs/dbraw/zinc/39/47/48/891394748.db2.gz XTOXEYJVCOESLI-MDASCCDHSA-N 1 0 396.453 3.521 10 0 GHAERO Cc1c(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cccc1N1CCOC1=O ZINC000248986572 891486046 /nfs/dbraw/zinc/48/60/46/891486046.db2.gz FCXTYTZWPGYRMU-QUCCMNQESA-N 1 0 394.475 3.519 10 0 GHAERO COc1cccc(N2CC[C@@H](C[NH2+][C@@H](c3ncc[nH]3)c3ccc(F)cc3)C2)c1 ZINC000249183701 891501495 /nfs/dbraw/zinc/50/14/95/891501495.db2.gz JQMDPOAMXIDMDP-HRAATJIYSA-N 1 0 380.467 3.763 10 0 GHAERO Cc1c(NC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cccc1C(F)(F)F ZINC000333115596 899973720 /nfs/dbraw/zinc/97/37/20/899973720.db2.gz HGDKZCAUAZIAPL-WBVHZDCISA-N 1 0 385.430 3.764 10 0 GHAERO Cc1nc(-c2cccc(NC(=O)N3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)c2)oc1C ZINC000333188303 900021504 /nfs/dbraw/zinc/02/15/04/900021504.db2.gz UGHFHMVVNLJAGD-WOJBJXKFSA-N 1 0 398.507 3.709 10 0 GHAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3nnc(-c4cc(Br)ccc4F)s3)C[C@H]21 ZINC000333508786 902144892 /nfs/dbraw/zinc/14/48/92/902144892.db2.gz ITKIOHKWBGJWIM-GAJTVXKRSA-N 1 0 397.317 3.670 10 0 GHAERO Cc1cccc2cc(C(=O)N(C)C[C@@H]3CCC[N@H+](C)[C@H]3c3cnn(C)c3)oc21 ZINC000333532427 902168061 /nfs/dbraw/zinc/16/80/61/902168061.db2.gz YGIRJFVDRHJQHY-FXAWDEMLSA-N 1 0 380.492 3.630 10 0 GHAERO Cc1[nH+]c2c(Cl)cccc2c(N2CCC(c3nnc4n3CCNC4)CC2)c1C ZINC000333600787 902215990 /nfs/dbraw/zinc/21/59/90/902215990.db2.gz WKKIMHDXNOIXCS-UHFFFAOYSA-N 1 0 396.926 3.584 10 0 GHAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000333780334 902327162 /nfs/dbraw/zinc/32/71/62/902327162.db2.gz DQEJQJAFCKERON-MJGOQNOKSA-N 1 0 385.487 3.595 10 0 GHAERO c1nc2ncnc(N3CC[NH+](CCC(c4ccccc4)c4ccccc4)CC3)c2[nH]1 ZINC000003613381 206292435 /nfs/dbraw/zinc/29/24/35/206292435.db2.gz IDZZPIGRJYPIIM-UHFFFAOYSA-N 1 0 398.514 3.649 10 0 GHAERO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@@H](C(=O)c2ccc3c(c2)OCO3)C1 ZINC000015079160 207046590 /nfs/dbraw/zinc/04/65/90/207046590.db2.gz KGQPHLGPDBGYCM-QGZVFWFLSA-N 1 0 389.455 3.762 10 0 GHAERO O[C@@H](C[NH2+]Cc1ccc(Br)s1)COCc1ccccc1Cl ZINC000037984856 207245971 /nfs/dbraw/zinc/24/59/71/207245971.db2.gz ZGOZDXUNASIDAX-LBPRGKRZSA-N 1 0 390.730 3.831 10 0 GHAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]Cc2cnc(Cl)nc2Cl)C1 ZINC000095085336 208152741 /nfs/dbraw/zinc/15/27/41/208152741.db2.gz QVKMEDLJPYRLEF-LLVKDONJSA-N 1 0 375.300 3.520 10 0 GHAERO c1ccc(OCC[NH+]2CCN(c3ncnc4sc5c(c43)CCCC5)CC2)cc1 ZINC000096205070 136185209 /nfs/dbraw/zinc/18/52/09/136185209.db2.gz UCNVUVSHAYUWDK-UHFFFAOYSA-N 1 0 394.544 3.771 10 0 GHAERO CCOc1c(C[NH2+]Cc2ccc3c(c2)OCO3)cc(Br)cc1OC ZINC000010474957 570571262 /nfs/dbraw/zinc/57/12/62/570571262.db2.gz PEVOCNXRILHZMD-UHFFFAOYSA-N 1 0 394.265 3.875 10 0 GHAERO Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)c12 ZINC000113227475 837822282 /nfs/dbraw/zinc/82/22/82/837822282.db2.gz TWXRURSUMRBHGB-YOEHRIQHSA-N 1 0 395.551 3.681 10 0 GHAERO CN(C)c1ccc(NC(=O)N2CCC(Cc3nccn3C)CC2)cc1Cl ZINC000157947559 835164753 /nfs/dbraw/zinc/16/47/53/835164753.db2.gz UDJPMNVRSDUHTA-UHFFFAOYSA-N 1 0 375.904 3.626 10 0 GHAERO COC(=O)[C@H](Nc1ccc2c(c1)C[N@@H+](C)C2)c1cccc(Br)c1 ZINC000158851622 835557462 /nfs/dbraw/zinc/55/74/62/835557462.db2.gz JPPFWYVGUWZRHV-QGZVFWFLSA-N 1 0 375.266 3.721 10 0 GHAERO Cc1ccc(NC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1Br ZINC000333164403 844101056 /nfs/dbraw/zinc/10/10/56/844101056.db2.gz OOAXZMBNLOYJQG-SJORKVTESA-N 1 0 396.329 3.508 10 0 GHAERO CSc1ccc(NC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1Cl ZINC000333201679 844238934 /nfs/dbraw/zinc/23/89/34/844238934.db2.gz XZDXGWWBGDSGIN-WBVHZDCISA-N 1 0 383.945 3.812 10 0 GHAERO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@H](c1ccccc1)c1ccncc1 ZINC000103176595 837272569 /nfs/dbraw/zinc/27/25/69/837272569.db2.gz BYVBMROFLXWFIH-RBBKRZOGSA-N 1 0 390.487 3.900 10 0 GHAERO O=C(CN1CCC[C@H]2C(=O)NC[C@H]21)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000328695558 838674309 /nfs/dbraw/zinc/67/43/09/838674309.db2.gz DCJNYUZOQSJPDY-KBRIMQKVSA-N 1 0 396.318 3.708 10 0 GHAERO C[C@H](C(=O)N(c1nccs1)C1CCCCC1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330141365 839920806 /nfs/dbraw/zinc/92/08/06/839920806.db2.gz PYRISFJXTFDOIK-LLGFUMIMSA-N 1 0 391.581 3.824 10 0 GHAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCS(=O)(=O)c3ccccc32)CCN1Cc1ccccc1 ZINC000186238505 843058801 /nfs/dbraw/zinc/05/88/01/843058801.db2.gz JOILUNVVQQYQND-YFVAEKQCSA-N 1 0 384.545 3.548 10 0 GHAERO Cc1cccnc1/C=C\C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000588452424 843309099 /nfs/dbraw/zinc/30/90/99/843309099.db2.gz UDOYUPQBXFEBPO-KTKRTIGZSA-N 1 0 376.504 3.574 10 0 GHAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c21 ZINC000329075154 847568285 /nfs/dbraw/zinc/56/82/85/847568285.db2.gz AIESVDJCIWZZCX-CQSZACIVSA-N 1 0 384.524 3.713 10 0 GHAERO COC(=O)c1ccc(C(F)(F)F)cc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000153729742 848957544 /nfs/dbraw/zinc/95/75/44/848957544.db2.gz QDEURBOBHDCNKR-UHFFFAOYSA-N 1 0 399.413 3.584 10 0 GHAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 ZINC000329746439 862286504 /nfs/dbraw/zinc/28/65/04/862286504.db2.gz YUUYBGYTPLKQGK-QAPCUYQASA-N 1 0 382.508 3.634 10 0 GHAERO Cc1ccc([C@H](CNC(=O)Nc2cccc(-c3noc(C)n3)c2)[NH+]2CCCC2)o1 ZINC000101750200 851869606 /nfs/dbraw/zinc/86/96/06/851869606.db2.gz XAVJVLIULALWIZ-SFHVURJKSA-N 1 0 395.463 3.905 10 0 GHAERO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CCC(c2cc[nH]n2)CC1 ZINC000158129518 856392072 /nfs/dbraw/zinc/39/20/72/856392072.db2.gz STJYDANHPQZBDG-UHFFFAOYSA-N 1 0 395.551 3.875 10 0 GHAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000174979480 860476933 /nfs/dbraw/zinc/47/69/33/860476933.db2.gz HCKWTRXJDYRYND-WOJBJXKFSA-N 1 0 396.535 3.878 10 0 GHAERO O=C(NCC[N@@H+]1CCc2ccccc2C1)N[C@H](c1ccccc1)c1ccncc1 ZINC000103177608 863902435 /nfs/dbraw/zinc/90/24/35/863902435.db2.gz ZXLQRZKEIUBBJD-HSZRJFAPSA-N 1 0 386.499 3.529 10 0 GHAERO CC(C)Sc1ccc([C@@H](C)NC(=O)NCCCC[NH+]2CCOCC2)cc1 ZINC000103512301 864046335 /nfs/dbraw/zinc/04/63/35/864046335.db2.gz VXDNHEWDEBVSPQ-QGZVFWFLSA-N 1 0 379.570 3.660 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C[C@@H]1CCCc2ccccc21 ZINC000172306986 882198210 /nfs/dbraw/zinc/19/82/10/882198210.db2.gz SIJUFZLWYIXZBA-RFWXGWTQSA-N 1 0 377.532 3.918 10 0 GHAERO Cc1c2cc(F)ccc2sc1C(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000173282067 882346604 /nfs/dbraw/zinc/34/66/04/882346604.db2.gz XNALWWJNRRWRIO-KRWDZBQOSA-N 1 0 389.540 3.591 10 0 GHAERO CCC(CC)[C@@H](CNC(=O)C1CCN(C(=O)c2ccccc2)CC1)[NH+]1CCCC1 ZINC000173705966 882394878 /nfs/dbraw/zinc/39/48/78/882394878.db2.gz JCKIDJTVUHPAOD-JOCHJYFZSA-N 1 0 399.579 3.556 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1c[nH]cc1-c1ccc(F)cc1 ZINC000173787955 882405065 /nfs/dbraw/zinc/40/50/65/882405065.db2.gz ZNCGZVRAVJKTGT-ZHRRBRCNSA-N 1 0 392.478 3.856 10 0 GHAERO COc1cc(C[NH+]2CCC(n3cncn3)CC2)ccc1OCc1ccccc1 ZINC000092648111 882410192 /nfs/dbraw/zinc/41/01/92/882410192.db2.gz VWRWBOKMAIFVFM-UHFFFAOYSA-N 1 0 378.476 3.703 10 0 GHAERO Cc1cccc2[nH]c(CCC(=O)N3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)nc21 ZINC000176513985 882701634 /nfs/dbraw/zinc/70/16/34/882701634.db2.gz RFYYBWCNMJMFED-RBUKOAKNSA-N 1 0 382.552 3.917 10 0 GHAERO Cc1ccccc1OCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116246160 873367961 /nfs/dbraw/zinc/36/79/61/873367961.db2.gz JPXGIQFQVQIAQR-FPOVZHCZSA-N 1 0 381.520 3.576 10 0 GHAERO Cc1cccc(N2CCC(NC(=O)c3oc4ccccc4c3C[NH+](C)C)CC2)n1 ZINC000116667914 873614274 /nfs/dbraw/zinc/61/42/74/873614274.db2.gz JZRCWKVKZPUKRQ-UHFFFAOYSA-N 1 0 392.503 3.597 10 0 GHAERO COc1ccc([C@H](C)N(C)C(=O)NC2CCN(c3cccc(C)n3)CC2)cc1 ZINC000116970650 873799853 /nfs/dbraw/zinc/79/98/53/873799853.db2.gz GEIYICSISIYSIE-KRWDZBQOSA-N 1 0 382.508 3.770 10 0 GHAERO Cc1c([C@H](C)[NH2+]Cc2cccnc2-n2cncn2)cnn1-c1cc(C)ccc1C ZINC000178048522 882860734 /nfs/dbraw/zinc/86/07/34/882860734.db2.gz MZJMDVKKDVIGNW-KRWDZBQOSA-N 1 0 387.491 3.624 10 0 GHAERO COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000178475249 882896165 /nfs/dbraw/zinc/89/61/65/882896165.db2.gz RCGMJOWSSQQJNZ-RBUKOAKNSA-N 1 0 377.444 3.515 10 0 GHAERO C[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)c2ccccc21 ZINC000179072274 882950479 /nfs/dbraw/zinc/95/04/79/882950479.db2.gz BGVHPVZODSGBEJ-VGSWGCGISA-N 1 0 378.520 3.984 10 0 GHAERO c1ncn(-c2ncccc2C[NH2+][C@H]2CC3(CCCCC3)Oc3ccccc32)n1 ZINC000179136132 882973374 /nfs/dbraw/zinc/97/33/74/882973374.db2.gz KMIAYWMHFGERCO-IBGZPJMESA-N 1 0 375.476 3.979 10 0 GHAERO O=C(CCCc1ccc(Br)s1)N1CCC([NH+]2CCCC2)CC1 ZINC000121095199 876468768 /nfs/dbraw/zinc/46/87/68/876468768.db2.gz IASBNYSAPPRLHQ-UHFFFAOYSA-N 1 0 385.371 3.920 10 0 GHAERO CC(C)(C)OC(=O)NC1CCC([NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)CC1 ZINC000180772905 883098857 /nfs/dbraw/zinc/09/88/57/883098857.db2.gz JHDNFUVGRFEJCU-CTWPCTMYSA-N 1 0 393.572 3.593 10 0 GHAERO CC(=O)N1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3)CC2)c2ccc(F)cc2C1 ZINC000184534132 883354020 /nfs/dbraw/zinc/35/40/20/883354020.db2.gz GXFWPPZAQRQHNF-XMMPIXPASA-N 1 0 395.522 3.873 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+]Cc2cnn(-c3ccccc3)c2)c2ccc(F)cc2C1 ZINC000185365260 883442909 /nfs/dbraw/zinc/44/29/09/883442909.db2.gz QRWKKVXEWFUCKE-QFIPXVFZSA-N 1 0 378.451 3.595 10 0 GHAERO Cc1ccc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)cc1NC(=O)c1ccccc1F ZINC000186545044 883662958 /nfs/dbraw/zinc/66/29/58/883662958.db2.gz ZMZYWKZMZDXMIL-KRWDZBQOSA-N 1 0 395.478 3.743 10 0 GHAERO CC1CC[NH+](C2CCC(NC(=O)Nc3ccc4c(c3)CN(C)C(=O)N4)CC2)CC1 ZINC000186583383 883665891 /nfs/dbraw/zinc/66/58/91/883665891.db2.gz PHGAZOJYLLYARF-UHFFFAOYSA-N 1 0 399.539 3.829 10 0 GHAERO Cc1cccc(N2CCC([NH2+]Cc3cnn(Cc4ccc(F)cc4)c3)CC2)n1 ZINC000189214604 883914252 /nfs/dbraw/zinc/91/42/52/883914252.db2.gz HZBYGYHYVSHGMS-UHFFFAOYSA-N 1 0 379.483 3.533 10 0 GHAERO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCC(Nc2nccs2)CC1 ZINC000190176159 884051222 /nfs/dbraw/zinc/05/12/22/884051222.db2.gz JFZRANKNZWSTGW-UHFFFAOYSA-N 1 0 399.564 3.525 10 0 GHAERO Fc1ccc(-c2noc([C@@H]3CCCN(Cc4nc(-c5ccoc5)no4)C3)n2)cc1 ZINC000105608997 884821006 /nfs/dbraw/zinc/82/10/06/884821006.db2.gz QFWFVUPOIHYABS-CQSZACIVSA-N 1 0 395.394 3.898 10 0 GHAERO COc1ccccc1C[C@H](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116244193 886359152 /nfs/dbraw/zinc/35/91/52/886359152.db2.gz XNZMSTVUJYPVKR-IPJJNNNSSA-N 1 0 395.547 3.686 10 0 GHAERO C[C@H](NC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1)c1cccc(C(F)(F)F)c1 ZINC000125819443 886903411 /nfs/dbraw/zinc/90/34/11/886903411.db2.gz SATSRKRIQHPYFR-GJZGRUSLSA-N 1 0 399.457 3.661 10 0 GHAERO COCc1cc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)ccc1OC ZINC000126262868 886950389 /nfs/dbraw/zinc/95/03/89/886950389.db2.gz DXEOZDCEIPPDAK-FGSXEWAUSA-N 1 0 383.536 3.798 10 0 GHAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1cnn(Cc2ccccc2)c1 ZINC000126279407 886950844 /nfs/dbraw/zinc/95/08/44/886950844.db2.gz UVJPTPHNGXRUBF-NMMYMHLASA-N 1 0 389.547 3.888 10 0 GHAERO Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccc(N4CCOC4=O)cc3)CC2)n1 ZINC000128095674 887145883 /nfs/dbraw/zinc/14/58/83/887145883.db2.gz JCSFFRMLBJTRJN-KRWDZBQOSA-N 1 0 380.492 3.666 10 0 GHAERO Brc1ccc(-c2nnc(CN[C@@H]3CCCC[C@H]3n3cccn3)o2)o1 ZINC000128831827 887232385 /nfs/dbraw/zinc/23/23/85/887232385.db2.gz IMMVYZZONIFVGB-VXGBXAGGSA-N 1 0 392.257 3.562 10 0 GHAERO COc1cc(F)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000133425198 887763395 /nfs/dbraw/zinc/76/33/95/887763395.db2.gz AUICGKPFTVUKTQ-WBVHZDCISA-N 1 0 386.467 3.626 10 0 GHAERO CCC[NH+]1CCC(CNC(=O)N2CCn3cccc3[C@H]2c2ccccc2)CC1 ZINC000105215355 887889776 /nfs/dbraw/zinc/88/97/76/887889776.db2.gz ANIZQAARADMJHE-JOCHJYFZSA-N 1 0 380.536 3.725 10 0 GHAERO O=C(Nc1cccc(CNC(=O)N2CCC([NH+]3CCCC3)CC2)c1)C1CCCC1 ZINC000057060678 888386988 /nfs/dbraw/zinc/38/69/88/888386988.db2.gz OZXLRECQTUBKJG-UHFFFAOYSA-N 1 0 398.551 3.585 10 0 GHAERO COc1ccc(Br)c(NC(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000195458851 888668448 /nfs/dbraw/zinc/66/84/48/888668448.db2.gz HFJPIMBQAFFEBO-UHFFFAOYSA-N 1 0 382.302 3.550 10 0 GHAERO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ncc(Br)s1 ZINC000245621139 889080193 /nfs/dbraw/zinc/08/01/93/889080193.db2.gz BKQSWYCUSGJVOW-VNHYZAJKSA-N 1 0 395.370 3.862 10 0 GHAERO C[N@@H+]1CC[C@H](NC(=O)N[C@@H](c2nccs2)c2ccccc2)[C@@H]1c1ccccc1 ZINC000245699477 889275475 /nfs/dbraw/zinc/27/54/75/889275475.db2.gz YVIRPRLCNBXRAB-ZCNNSNEGSA-N 1 0 392.528 3.977 10 0 GHAERO C[C@@H]1CC([NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)C[C@@H](C)O1 ZINC000245935408 890047026 /nfs/dbraw/zinc/04/70/26/890047026.db2.gz TWFFGIYTRXMOLN-WZRBSPASSA-N 1 0 377.838 3.878 10 0 GHAERO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc4nc(-c5ccccn5)oc4c3)CC[C@H]21 ZINC000246124044 890421672 /nfs/dbraw/zinc/42/16/72/890421672.db2.gz QFAJDRDECPYJIY-HNAYVOBHSA-N 1 0 391.475 3.838 10 0 GHAERO C[N@@H+]1CC[C@H](CNC(=O)C[C@@H](O)c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246428282 891236801 /nfs/dbraw/zinc/23/68/01/891236801.db2.gz NRGKPKWEHGCFAR-BSIFCXSSSA-N 1 0 390.886 3.712 10 0 GHAERO CCc1cnc(CN(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000246587254 891288235 /nfs/dbraw/zinc/28/82/35/891288235.db2.gz UUDPKQUDRXLOIW-FUHWJXTLSA-N 1 0 386.565 3.900 10 0 GHAERO O=C(CN1CCC[C@H]1C[C@@H](O)c1ccco1)Nc1ccccc1C(F)(F)F ZINC000246666874 891296074 /nfs/dbraw/zinc/29/60/74/891296074.db2.gz QGYFYGNZYLHLFU-XJKSGUPXSA-N 1 0 382.382 3.825 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)NC(C)(C)c1cccc(F)c1 ZINC000246806678 891308394 /nfs/dbraw/zinc/30/83/94/891308394.db2.gz RGTSJHHQNZSIGR-OXJNMPFZSA-N 1 0 384.499 3.666 10 0 GHAERO COc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1Cl ZINC000247033407 891334399 /nfs/dbraw/zinc/33/43/99/891334399.db2.gz NRFFCIORBFUGFZ-RDTXWAMCSA-N 1 0 388.899 3.776 10 0 GHAERO C[C@H](CCc1cccc(F)c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000247044266 891337680 /nfs/dbraw/zinc/33/76/80/891337680.db2.gz YDMKMMNRHRHNIY-FGSXEWAUSA-N 1 0 383.511 3.816 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)COc1cccc2ccccc21 ZINC000247060856 891339495 /nfs/dbraw/zinc/33/94/95/891339495.db2.gz PDGODOJHFXTMMO-PGRDOPGGSA-N 1 0 389.499 3.640 10 0 GHAERO C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000247104689 891344558 /nfs/dbraw/zinc/34/45/58/891344558.db2.gz FIVRUBZSCUYAIS-FTRWYGJKSA-N 1 0 387.911 3.529 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCOc1ccc(Cl)cc1 ZINC000247098517 891345334 /nfs/dbraw/zinc/34/53/34/891345334.db2.gz FCHZHQMUBJKETQ-OXQOHEQNSA-N 1 0 387.911 3.531 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCc1ccc(Cl)s1 ZINC000247097471 891345511 /nfs/dbraw/zinc/34/55/11/891345511.db2.gz FABBPKUHJGCMLO-RHSMWYFYSA-N 1 0 377.941 3.756 10 0 GHAERO C[N@@H+]1CC[C@@H](NC(=O)c2c(F)cccc2Br)[C@H]1c1ccccc1 ZINC000248125413 891410761 /nfs/dbraw/zinc/41/07/61/891410761.db2.gz VHQPUFLUSNMRIC-NVXWUHKLSA-N 1 0 377.257 3.763 10 0 GHAERO CN1CC[C@H]([NH2+][C@@H]2CCS(=O)(=O)c3ccccc32)[C@H]1c1ccc(Cl)cc1 ZINC000248558924 891428903 /nfs/dbraw/zinc/42/89/03/891428903.db2.gz LZSPTCAKLRXDSX-WSTZPKSXSA-N 1 0 390.936 3.594 10 0 GHAERO O=C(c1nc2cccnc2s1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248731364 891462819 /nfs/dbraw/zinc/46/28/19/891462819.db2.gz KUXRVDARAKYRGH-IEBWSBKVSA-N 1 0 392.528 3.818 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2C)c2ccc(F)cc2C1 ZINC000248775773 891468362 /nfs/dbraw/zinc/46/83/62/891468362.db2.gz ZASKTMWAADCBAC-DPSWKAHMSA-N 1 0 395.522 3.729 10 0 GHAERO CC(=O)Nc1cc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1C ZINC000248828211 891473607 /nfs/dbraw/zinc/47/36/07/891473607.db2.gz MEHZKWSINBISLB-IERDGZPVSA-N 1 0 380.492 3.595 10 0 GHAERO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000248924004 891481455 /nfs/dbraw/zinc/48/14/55/891481455.db2.gz WZCBEANNVJDHEG-OAUYIBNBSA-N 1 0 381.314 3.713 10 0 GHAERO CC[C@H](NC(=O)Nc1ccccc1N1CC[NH+](CC)CC1)c1nc(C)cs1 ZINC000104774900 898161610 /nfs/dbraw/zinc/16/16/10/898161610.db2.gz CNWLWMWXBBVVBA-INIZCTEOSA-N 1 0 387.553 3.866 10 0 GHAERO COc1cc(C)c(Br)cc1NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333101283 899962525 /nfs/dbraw/zinc/96/25/25/899962525.db2.gz AVDLYFLWYDQHPG-OAHLLOKOSA-N 1 0 396.329 3.762 10 0 GHAERO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC000333102032 899962560 /nfs/dbraw/zinc/96/25/60/899962560.db2.gz AVTSYCFSMOTTNT-GDBMZVCRSA-N 1 0 390.286 3.883 10 0 GHAERO Cc1cc(NC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1C(F)(F)F ZINC000333132808 899988045 /nfs/dbraw/zinc/98/80/45/899988045.db2.gz JUXMZEATQLLGHG-DLBZAZTESA-N 1 0 385.430 3.764 10 0 GHAERO Cc1nc(-c2cccc(NC(=O)N3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)c2)oc1C ZINC000333188301 900021043 /nfs/dbraw/zinc/02/10/43/900021043.db2.gz UGHFHMVVNLJAGD-UXHICEINSA-N 1 0 398.507 3.709 10 0 GHAERO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000333202212 900032619 /nfs/dbraw/zinc/03/26/19/900032619.db2.gz YDWPYGAVUQWSIX-QTVXIADOSA-N 1 0 387.549 3.676 10 0 GHAERO O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000333353816 902030090 /nfs/dbraw/zinc/03/00/90/902030090.db2.gz JYGYLWCGFHRZTK-ICSRJNTNSA-N 1 0 383.536 3.854 10 0 GHAERO [NH3+][C@@H]1CC[C@@H]2CN(c3nc(-c4cccnc4)nc4sc5c(c43)CCCC5)C[C@H]12 ZINC000333879943 902392592 /nfs/dbraw/zinc/39/25/92/902392592.db2.gz DEKMUAFYIYAMBN-HYVNUMGLSA-N 1 0 391.544 3.806 10 0 GHAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)C[C@@H](c2ccccc2)C1 ZINC000328621812 206233123 /nfs/dbraw/zinc/23/31/23/206233123.db2.gz HZABDHOQUGOINU-OGEMAMLTSA-N 1 0 380.536 3.502 10 0 GHAERO Cc1nn(C)c(Oc2cccnc2)c1C[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000328629716 206235981 /nfs/dbraw/zinc/23/59/81/206235981.db2.gz PCHVELZMGPKJFH-WIYYLYMNSA-N 1 0 378.476 3.783 10 0 GHAERO CC[N@@H+]1CCC[C@@H](CN(C)Cc2csc(C(C)C)n2)[C@@H]1c1cnn(C)c1 ZINC000328648857 206238497 /nfs/dbraw/zinc/23/84/97/206238497.db2.gz UTKVRNYLYXINHJ-QFBILLFUSA-N 1 0 375.586 3.905 10 0 GHAERO O[C@@H]1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[C@H]1[NH+]1CCCCCC1 ZINC000020209725 207185163 /nfs/dbraw/zinc/18/51/63/207185163.db2.gz SUCDZQMOQJMABQ-WOJBJXKFSA-N 1 0 388.943 3.541 10 0 GHAERO Brc1ccc(C[NH2+][C@H]2COC[C@H]2C2CC2)cc1Br ZINC000725269612 570327299 /nfs/dbraw/zinc/32/72/99/570327299.db2.gz NSVYXDNXXKWZJL-FZMZJTMJSA-N 1 0 375.104 3.726 10 0 GHAERO COc1cc(Br)cc(C[NH2+]C(C)(C)CO)c1OCc1ccccc1 ZINC000010473847 570571242 /nfs/dbraw/zinc/57/12/42/570571242.db2.gz GWXIGVFORYSWGZ-UHFFFAOYSA-N 1 0 394.309 3.897 10 0 GHAERO COCc1c(Br)cccc1NC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000186876115 834788772 /nfs/dbraw/zinc/78/87/72/834788772.db2.gz KXBQQZDISCVJJM-AWEZNQCLSA-N 1 0 398.345 3.982 10 0 GHAERO Cc1cc(-c2cc(C(=O)N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)c3c(C)noc3n2)c(C)o1 ZINC000113224859 837821514 /nfs/dbraw/zinc/82/15/14/837821514.db2.gz WRGYTVRINKNVLK-LRDDRELGSA-N 1 0 394.475 3.717 10 0 GHAERO CC(C)c1noc(-c2ccccc2C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000329643210 835512443 /nfs/dbraw/zinc/51/24/43/835512443.db2.gz ICEFQDFNUNEGQK-QGZVFWFLSA-N 1 0 382.508 3.808 10 0 GHAERO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)[C@H]1c1ccccc1 ZINC000332785336 836616682 /nfs/dbraw/zinc/61/66/82/836616682.db2.gz FGADQIRRQBKLMN-IUHILOBXSA-N 1 0 385.552 3.547 10 0 GHAERO CC(C)(C)c1nsc(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)n1 ZINC000068071860 838014440 /nfs/dbraw/zinc/01/44/40/838014440.db2.gz SRLMPHGHEYFVOL-UHFFFAOYSA-N 1 0 376.551 3.637 10 0 GHAERO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330103177 839509089 /nfs/dbraw/zinc/50/90/89/839509089.db2.gz GBWIGSYFMNVIDU-NZQKXSOJSA-N 1 0 385.552 3.874 10 0 GHAERO O=C(COc1ccccc1C(F)(F)F)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000106008376 841858363 /nfs/dbraw/zinc/85/83/63/841858363.db2.gz LUFVTBNRZWZQDO-UHFFFAOYSA-N 1 0 392.421 3.996 10 0 GHAERO Cc1cc(-c2cc(C(=O)N3C[C@H]4CCC[N@H+]4C[C@H]3C)c3c(C)noc3n2)c(C)o1 ZINC000247520605 842839950 /nfs/dbraw/zinc/83/99/50/842839950.db2.gz WRGYTVRINKNVLK-MLGOLLRUSA-N 1 0 394.475 3.717 10 0 GHAERO Cc1ccc(N2CCC([NH2+][C@H](C)c3cccc(N4CCOC4=O)c3)CC2)nc1 ZINC000163490532 843006693 /nfs/dbraw/zinc/00/66/93/843006693.db2.gz TZNCNIOXCKCSIU-QGZVFWFLSA-N 1 0 380.492 3.666 10 0 GHAERO Cc1cccc2[nH]cc(CCNC(=O)N(Cc3ccco3)C3CC[NH+](C)CC3)c21 ZINC000103317158 845704324 /nfs/dbraw/zinc/70/43/24/845704324.db2.gz SKGRTJDOTISMCW-UHFFFAOYSA-N 1 0 394.519 3.918 10 0 GHAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000152176826 846342765 /nfs/dbraw/zinc/34/27/65/846342765.db2.gz VZANZUNMGBTIIA-OXJNMPFZSA-N 1 0 376.504 3.820 10 0 GHAERO C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cccc(Br)c3F)n1)OC2 ZINC000329668067 861977298 /nfs/dbraw/zinc/97/72/98/861977298.db2.gz LQSPTMHWDXOFDT-LRDDRELGSA-N 1 0 382.233 3.564 10 0 GHAERO Cc1[nH+]c2c(Cl)cccc2c(N2CCC[C@@H](N3CCCS3(=O)=O)C2)c1C ZINC000329690781 862090783 /nfs/dbraw/zinc/09/07/83/862090783.db2.gz GNDCDDDLUPHUJB-OAHLLOKOSA-N 1 0 393.940 3.509 10 0 GHAERO Cc1ccc(NC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c(Br)c1 ZINC000333948324 853259305 /nfs/dbraw/zinc/25/93/05/853259305.db2.gz WFSILHJCRZFERS-DOTOQJQBSA-N 1 0 396.329 3.508 10 0 GHAERO Cc1cc(-c2cc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c3c(C)noc3n2)c(C)s1 ZINC000171756725 853795557 /nfs/dbraw/zinc/79/55/57/853795557.db2.gz SVUZKTMBRCVCIE-OAHLLOKOSA-N 1 0 396.516 3.797 10 0 GHAERO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000328859549 854582057 /nfs/dbraw/zinc/58/20/57/854582057.db2.gz YNHNFKNDVAXBDE-BPOCJVMZSA-N 1 0 387.564 3.703 10 0 GHAERO CC(C)c1cc(C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c(O)c(C(C)C)c1 ZINC000125313567 854702451 /nfs/dbraw/zinc/70/24/51/854702451.db2.gz VJVWEASUIZKFPI-QGZVFWFLSA-N 1 0 388.552 3.964 10 0 GHAERO Cc1cnn([C@@H]2CCCN(C(=O)NC[C@H](c3ccc(C)cc3)[NH+]3CCCC3)C2)c1 ZINC000111845653 854754350 /nfs/dbraw/zinc/75/43/50/854754350.db2.gz ZYCQMUAZTNHQJH-FGZHOGPDSA-N 1 0 395.551 3.684 10 0 GHAERO Clc1sc(C[NH2+]C2CCN(c3ncccn3)CC2)cc1Br ZINC000191692242 859973625 /nfs/dbraw/zinc/97/36/25/859973625.db2.gz AHXOPFGPAGMVRU-UHFFFAOYSA-N 1 0 387.734 3.713 10 0 GHAERO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000329101019 861018498 /nfs/dbraw/zinc/01/84/98/861018498.db2.gz ZPIOFIXNBPLSGI-OIISXLGYSA-N 1 0 397.441 3.705 10 0 GHAERO Cc1cc(N2CCC[C@@H]([NH2+][C@H]3C[C@H](C)Sc4sccc43)C2=O)n(C)n1 ZINC000329238990 861183495 /nfs/dbraw/zinc/18/34/95/861183495.db2.gz QAFXITLLWGBNEH-CFVMTHIKSA-N 1 0 376.551 3.501 10 0 GHAERO CC[NH+]1CCC(n2nccc2NC(=O)c2ccc(-n3cccc3)c(F)c2)CC1 ZINC000104888619 864687676 /nfs/dbraw/zinc/68/76/76/864687676.db2.gz OKVXYFXAIOMHBP-UHFFFAOYSA-N 1 0 381.455 3.722 10 0 GHAERO C[C@]1(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CCCc2ccccc21 ZINC000104924093 864692330 /nfs/dbraw/zinc/69/23/30/864692330.db2.gz BUJMPDALTUJRPL-VWLOTQADSA-N 1 0 392.543 3.554 10 0 GHAERO COc1cc(C[NH2+][C@H]2Cc3ccccc3[C@@H]2O)ccc1OCc1c(C)noc1C ZINC000172067925 882167649 /nfs/dbraw/zinc/16/76/49/882167649.db2.gz YNAYNUJQWWNHHT-REWPJTCUSA-N 1 0 394.471 3.627 10 0 GHAERO CC(C)(C)OC(=O)Cc1ccccc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000174903684 882506427 /nfs/dbraw/zinc/50/64/27/882506427.db2.gz QVYMPOQZBKPPFT-UHFFFAOYSA-N 1 0 387.524 3.663 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCSc1ccc(F)cc1 ZINC000116252845 873371433 /nfs/dbraw/zinc/37/14/33/873371433.db2.gz RMIMNGOHZRDANF-UZLBHIALSA-N 1 0 387.524 3.730 10 0 GHAERO CCOc1cc(F)ccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116487248 873515992 /nfs/dbraw/zinc/51/59/92/873515992.db2.gz PDXAKXNGXKKTQZ-YJBOKZPZSA-N 1 0 386.471 3.652 10 0 GHAERO CC(=O)N(Cc1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)cc1)C(C)C ZINC000117011038 873848067 /nfs/dbraw/zinc/84/80/67/873848067.db2.gz FAHBRWYMTLIOOK-UHFFFAOYSA-N 1 0 386.540 3.536 10 0 GHAERO CC(C)[C@@H](C)NC(=O)C1CC[NH+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000104101341 874122951 /nfs/dbraw/zinc/12/29/51/874122951.db2.gz OFPCZMPXKWTTPQ-QZTJIDSGSA-N 1 0 395.588 3.506 10 0 GHAERO Cc1nn(-c2ccccc2)cc1CCC[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000177871007 882868903 /nfs/dbraw/zinc/86/89/03/882868903.db2.gz GBMHEJLOGWBRNE-UHFFFAOYSA-N 1 0 389.547 3.763 10 0 GHAERO COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000178475262 882896302 /nfs/dbraw/zinc/89/63/02/882896302.db2.gz RCGMJOWSSQQJNZ-RTBURBONSA-N 1 0 377.444 3.515 10 0 GHAERO Cc1ncc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)n1-c1ccccc1 ZINC000121038202 876454503 /nfs/dbraw/zinc/45/45/03/876454503.db2.gz DUISEDADCUZWGN-UHFFFAOYSA-N 1 0 380.536 3.795 10 0 GHAERO C[C@H]([NH2+]CC[C@@H]1c2ccccc2NC1=O)c1ccc(NC(=O)NC2CC2)cc1 ZINC000180399987 883055885 /nfs/dbraw/zinc/05/58/85/883055885.db2.gz MCQGUFPKEXYIMC-IFXJQAMLSA-N 1 0 378.476 3.747 10 0 GHAERO Cc1nccn1-c1ccc([C@@H](C)NC(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000123261856 880168509 /nfs/dbraw/zinc/16/85/09/880168509.db2.gz NLUHGKYSWYKREZ-QGZVFWFLSA-N 1 0 381.524 3.512 10 0 GHAERO CC(C)n1ncc2ccc(NC(=O)N3CCCN(c4ccccn4)CC3)cc21 ZINC000184096556 883316179 /nfs/dbraw/zinc/31/61/79/883316179.db2.gz NHSYAULTPSEWAT-UHFFFAOYSA-N 1 0 378.480 3.756 10 0 GHAERO O=C(Nc1ccc(F)cc1C(F)(F)F)N1CCCN(c2ccccn2)CC1 ZINC000184100744 883317141 /nfs/dbraw/zinc/31/71/41/883317141.db2.gz ATJDBRGJHHJDGY-UHFFFAOYSA-N 1 0 382.361 3.984 10 0 GHAERO CC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(CCc3ccccc3)C2)c2ccc(F)cc2C1 ZINC000184514336 883350774 /nfs/dbraw/zinc/35/07/74/883350774.db2.gz FDBQVAYLLLBNIP-LADGPHEKSA-N 1 0 395.522 3.526 10 0 GHAERO CSCc1ccccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000184775102 883393481 /nfs/dbraw/zinc/39/34/81/883393481.db2.gz RSZRJHFCLKQLQS-APWZRJJASA-N 1 0 384.549 3.977 10 0 GHAERO CC(=O)N1CC[C@@H]([NH2+]Cc2cc3ccccc3[nH]c2=O)c2ccc(F)cc2C1 ZINC000185364998 883440591 /nfs/dbraw/zinc/44/05/91/883440591.db2.gz YGMJOFWLYAQDJB-OAQYLSRUSA-N 1 0 379.435 3.663 10 0 GHAERO CN1Cc2cc(NC3CC[NH+](CCc4ccc(F)cc4)CC3)ccc2NC1=O ZINC000186527661 883661168 /nfs/dbraw/zinc/66/11/68/883661168.db2.gz QHMGQWPIOVTDBU-UHFFFAOYSA-N 1 0 382.483 3.922 10 0 GHAERO CSCc1cc(C(=O)N(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)ccc1F ZINC000186617465 883675435 /nfs/dbraw/zinc/67/54/35/883675435.db2.gz FIUKWEGQPOFZBV-IBGZPJMESA-N 1 0 387.524 3.868 10 0 GHAERO CSCc1cccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000187184485 883759551 /nfs/dbraw/zinc/75/95/51/883759551.db2.gz AHOQYPSHRZEGQR-UTKZUKDTSA-N 1 0 398.576 3.654 10 0 GHAERO Cc1ccc(C(=O)NCC2CC2)cc1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000187326418 883770752 /nfs/dbraw/zinc/77/07/52/883770752.db2.gz JBTKNUAVJWHWCX-UHFFFAOYSA-N 1 0 378.520 3.606 10 0 GHAERO O=C(Nc1cc(F)cc(F)c1Br)N1CCC([NH+]2CCCC2)CC1 ZINC000190609646 884103870 /nfs/dbraw/zinc/10/38/70/884103870.db2.gz YONQFUSNMISZNZ-UHFFFAOYSA-N 1 0 388.256 3.819 10 0 GHAERO CCC[NH+]1CCC(CNC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)CC1 ZINC000104050903 885243283 /nfs/dbraw/zinc/24/32/83/885243283.db2.gz GZRXPKONSOYATD-UHFFFAOYSA-N 1 0 384.524 3.886 10 0 GHAERO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000042628308 886798836 /nfs/dbraw/zinc/79/88/36/886798836.db2.gz ZHAHFEXWEFLCLJ-VQTJNVASSA-N 1 0 399.579 3.675 10 0 GHAERO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000042628310 886799390 /nfs/dbraw/zinc/79/93/90/886799390.db2.gz ZHAHFEXWEFLCLJ-PMACEKPBSA-N 1 0 399.579 3.675 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3ccccc3OC3CCCC3)CC2)CCO1 ZINC000124822240 886802656 /nfs/dbraw/zinc/80/26/56/886802656.db2.gz UCRJMLYXENTDKU-QGZVFWFLSA-N 1 0 387.524 3.725 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3ccccc3CCC(F)(F)F)CC2)CCO1 ZINC000125991059 886921166 /nfs/dbraw/zinc/92/11/66/886921166.db2.gz NYLBKPYNGFVNPC-OAHLLOKOSA-N 1 0 399.457 3.899 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc(F)cc1C(F)(F)F ZINC000126335614 886959411 /nfs/dbraw/zinc/95/94/11/886959411.db2.gz UNLCLHDIFWIHGP-UGSOOPFHSA-N 1 0 395.400 3.880 10 0 GHAERO CC(C)Sc1ccccc1NC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000126698513 886996802 /nfs/dbraw/zinc/99/68/02/886996802.db2.gz YDXNYWRAPQTFSJ-SFHVURJKSA-N 1 0 390.597 3.821 10 0 GHAERO CN1CC[C@@H](CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c2ccccc21 ZINC000194110500 888558183 /nfs/dbraw/zinc/55/81/83/888558183.db2.gz SFGVYLICALNZLX-SFHVURJKSA-N 1 0 396.535 3.509 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)C1(c2ccc(F)cc2F)CCC1 ZINC000245565459 888965564 /nfs/dbraw/zinc/96/55/64/888965564.db2.gz PNVIQGSDPAGYMO-HRAATJIYSA-N 1 0 399.485 3.808 10 0 GHAERO C[N@@H+]1CC[C@H](CNC(=O)Cc2cccc(O)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245664320 889187622 /nfs/dbraw/zinc/18/76/22/889187622.db2.gz GPWHVPQJMMPMPO-FOIQADDNSA-N 1 0 376.859 3.536 10 0 GHAERO COc1cc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)ccc1OCc1c(C)noc1C ZINC000245709498 889368912 /nfs/dbraw/zinc/36/89/12/889368912.db2.gz FQVQLQXDAAFGAW-AZUAARDMSA-N 1 0 386.492 3.880 10 0 GHAERO Cc1nnc([C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccccc2)[nH]1 ZINC000245718989 889481568 /nfs/dbraw/zinc/48/15/68/889481568.db2.gz OMBWUZNCMBXFOJ-KAOXLYBCSA-N 1 0 387.531 3.988 10 0 GHAERO O=C(c1ccccc1Cl)N1CCC([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000245730146 889533646 /nfs/dbraw/zinc/53/36/46/889533646.db2.gz IBVJSQKSYOMLEN-DFQSSKMNSA-N 1 0 388.939 3.882 10 0 GHAERO CN(Cc1ccco1)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245755682 889649032 /nfs/dbraw/zinc/64/90/32/889649032.db2.gz YIRVMRXLKGOIRS-KBXCAEBGSA-N 1 0 379.863 3.907 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000245810998 889768973 /nfs/dbraw/zinc/76/89/73/889768973.db2.gz QWYWWVYIKXDVJH-SJKOYZFVSA-N 1 0 393.318 3.611 10 0 GHAERO C[N@@H+]1CC[C@H](CNC(=O)C[C@@H](O)c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246428317 891236041 /nfs/dbraw/zinc/23/60/41/891236041.db2.gz NRGKPKWEHGCFAR-OZOXKJRCSA-N 1 0 390.886 3.712 10 0 GHAERO Cc1ccc(NC(=O)Cc2nc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cs2)cc1 ZINC000246619702 891294169 /nfs/dbraw/zinc/29/41/69/891294169.db2.gz FAOOAVGSTYMREG-FXAWDEMLSA-N 1 0 398.576 3.549 10 0 GHAERO CCCOc1ccc(CCC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246759869 891304138 /nfs/dbraw/zinc/30/41/38/891304138.db2.gz HQXWIPGXBQQRJD-XXBNENTESA-N 1 0 395.547 3.830 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1CCC[C@H]1c1cccs1 ZINC000246825064 891312700 /nfs/dbraw/zinc/31/27/00/891312700.db2.gz CEWZDVSPTCULNF-NEWSRXKRSA-N 1 0 384.549 3.900 10 0 GHAERO O=C(CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1c(Cl)cccc1Cl ZINC000246894018 891320984 /nfs/dbraw/zinc/32/09/84/891320984.db2.gz RDNBTCRHETXOIC-SUMWQHHRSA-N 1 0 382.335 3.881 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(Cc1ccccc1F)C1CC1 ZINC000247028523 891334671 /nfs/dbraw/zinc/33/46/71/891334671.db2.gz NHEJDSQVOZXEAW-VGOFRKELSA-N 1 0 396.510 3.805 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000247152504 891349403 /nfs/dbraw/zinc/34/94/03/891349403.db2.gz ILODSFXTMZEAEX-QAJUQPOASA-N 1 0 383.923 3.865 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000247329498 891368884 /nfs/dbraw/zinc/36/88/84/891368884.db2.gz YAAUVWSAZVJZIA-QAJUQPOASA-N 1 0 383.923 3.865 10 0 GHAERO CCc1nc2cc(NC(=O)N[C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)ccc2o1 ZINC000247546892 891382996 /nfs/dbraw/zinc/38/29/96/891382996.db2.gz RSBVWMZHLXIPEX-CRAIPNDOSA-N 1 0 393.491 3.817 10 0 GHAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)nc2Cl)[C@H]1c1ccccc1 ZINC000247914422 891398662 /nfs/dbraw/zinc/39/86/62/891398662.db2.gz AUGROKNRAQVBQE-UKRRQHHQSA-N 1 0 383.801 3.929 10 0 GHAERO CN(C)c1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(C(F)(F)F)c1 ZINC000247981228 891403853 /nfs/dbraw/zinc/40/38/53/891403853.db2.gz IITHSYOUBIUBQJ-SUMWQHHRSA-N 1 0 384.446 3.719 10 0 GHAERO C[N@@H+]1CC[C@H](NC(=O)c2c(F)cccc2Br)[C@H]1c1ccccc1 ZINC000248125409 891411085 /nfs/dbraw/zinc/41/10/85/891411085.db2.gz VHQPUFLUSNMRIC-DOTOQJQBSA-N 1 0 377.257 3.763 10 0 GHAERO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000248144006 891412375 /nfs/dbraw/zinc/41/23/75/891412375.db2.gz ZCGSVSVYUKKMEV-FPOVZHCZSA-N 1 0 392.503 3.910 10 0 GHAERO COc1ccc([C@@H]2CCCN2C(=O)CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000248570966 891430664 /nfs/dbraw/zinc/43/06/64/891430664.db2.gz MABXSHSXSJMSRK-RFWXGWTQSA-N 1 0 399.579 3.601 10 0 GHAERO Cc1cc(C)c(N2CC[C@H]([NH2+][C@@H](C)c3ccc([S@@](C)=O)cc3)C2=O)c(C)c1 ZINC000249097996 891495535 /nfs/dbraw/zinc/49/55/35/891495535.db2.gz OZMFQZXYJAAPPV-QXFFETOOSA-N 1 0 384.545 3.805 10 0 GHAERO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)Nc2ccccc2OC2CCCC2)CC1 ZINC000333100924 899961157 /nfs/dbraw/zinc/96/11/57/899961157.db2.gz DVOMUWMBTFMGQV-RXVVDRJESA-N 1 0 387.524 3.758 10 0 GHAERO Cc1cc(Br)ccc1NC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333224113 900048164 /nfs/dbraw/zinc/04/81/64/900048164.db2.gz XCQWOOYZEUGQAM-RDJZCZTQSA-N 1 0 396.329 3.508 10 0 GHAERO [NH3+]C1(CNC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)C2CC3CC(C2)CC1C3 ZINC000333623644 902229719 /nfs/dbraw/zinc/22/97/19/902229719.db2.gz ZWTXILSOEGXQHO-RFBSQGMNSA-N 1 0 393.535 3.563 10 0 GHAERO O=C(N[C@@H](c1cc2ccccc2o1)c1cccnc1)C1CC[NH+](C2CC2)CC1 ZINC000365503777 920876744 /nfs/dbraw/zinc/87/67/44/920876744.db2.gz ABYQVVUKTZLSIX-JOCHJYFZSA-N 1 0 375.472 3.908 10 0 GHAERO CC[N@@H+]1CCC[C@@H](CN(C)Cc2ncc(C(C)C)s2)[C@@H]1c1cnn(C)c1 ZINC000328654093 206238534 /nfs/dbraw/zinc/23/85/34/206238534.db2.gz XDTRAPIPNSENCR-OXJNMPFZSA-N 1 0 375.586 3.905 10 0 GHAERO CCN1CCC([N@@H+]2CC[C@@]3(C2)CCCN(Cc2cccc(F)c2F)C3)CC1 ZINC000019222138 207106936 /nfs/dbraw/zinc/10/69/36/207106936.db2.gz GREOZSGUGSNWLG-QFIPXVFZSA-N 1 0 377.523 3.737 10 0 GHAERO COc1cc2c(cc1OC)CN([C@@H]1CCC[N@H+](Cc3ccccc3F)C1)CC2 ZINC000023360275 207274809 /nfs/dbraw/zinc/27/48/09/207274809.db2.gz LFUXKDCBWQSYPE-HXUWFJFHSA-N 1 0 384.495 3.866 10 0 GHAERO Brc1cccc(Br)c1N(C1=[NH+]CCN1)C1CCCC1 ZINC000028230179 207338375 /nfs/dbraw/zinc/33/83/75/207338375.db2.gz NCTVKODFYDUFOZ-UHFFFAOYSA-N 1 0 387.119 3.920 10 0 GHAERO C[C@@H]([NH2+]CC[C@@H](CO)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000725266917 570325073 /nfs/dbraw/zinc/32/50/73/570325073.db2.gz MKQCSPQRHVFWEW-XLIONFOSSA-N 1 0 376.541 3.983 10 0 GHAERO CCOc1cc(C[NH2+]CCCN2CCCC2=O)ccc1OCc1ccccc1 ZINC000013727526 570782279 /nfs/dbraw/zinc/78/22/79/570782279.db2.gz PPXHOOWMGOKUHN-UHFFFAOYSA-N 1 0 382.504 3.766 10 0 GHAERO Cc1cc(N2CCC[C@H]([NH2+][C@H]3CCSc4cc(C)c(C)cc43)C2=O)n(C)n1 ZINC000187464358 835417411 /nfs/dbraw/zinc/41/74/11/835417411.db2.gz VUSULIGGIMVSRZ-ROUUACIJSA-N 1 0 384.549 3.667 10 0 GHAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CCc1nnc(-c2cc3ccccc3o2)o1 ZINC000329651165 835529319 /nfs/dbraw/zinc/52/93/19/835529319.db2.gz KTNWRPIAIZFZMY-RDJZCZTQSA-N 1 0 394.475 3.501 10 0 GHAERO Cc1csc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)c1Br ZINC000329665288 835566245 /nfs/dbraw/zinc/56/62/45/835566245.db2.gz KJAVAYYNADFKEV-BONVTDFDSA-N 1 0 384.299 3.795 10 0 GHAERO Cc1csc(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)c1Br ZINC000329665290 835566493 /nfs/dbraw/zinc/56/64/93/835566493.db2.gz KJAVAYYNADFKEV-ZUZCIYMTSA-N 1 0 384.299 3.795 10 0 GHAERO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCc3c(nc(C(C)C)n3C)C2)C1 ZINC000112750397 836279009 /nfs/dbraw/zinc/27/90/09/836279009.db2.gz IKQMCISHMLZQGZ-QGZVFWFLSA-N 1 0 389.588 3.512 10 0 GHAERO O=C(/C=C/c1ccc(Oc2cccnc2)c(F)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171454473 838848083 /nfs/dbraw/zinc/84/80/83/838848083.db2.gz TVROGWOXIWNLNO-IWHGQQBYSA-N 1 0 381.451 3.723 10 0 GHAERO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cc(Cl)ccc3C)C2)n1 ZINC000247777930 844393251 /nfs/dbraw/zinc/39/32/51/844393251.db2.gz RCVDKGUDYBVZEA-RHSMWYFYSA-N 1 0 389.931 3.596 10 0 GHAERO Cc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1OCC1CCOCC1 ZINC000119490965 840322935 /nfs/dbraw/zinc/32/29/35/840322935.db2.gz BEKCSGWJWNNEBO-HXUWFJFHSA-N 1 0 387.524 3.502 10 0 GHAERO C[C@H](Sc1ccc(F)c(F)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000105678344 841755299 /nfs/dbraw/zinc/75/52/99/841755299.db2.gz VEGCBTQWSGRKOV-GOEBONIOSA-N 1 0 376.472 3.836 10 0 GHAERO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000162988611 842938854 /nfs/dbraw/zinc/93/88/54/842938854.db2.gz OKRGZQJIYGFYPN-ZWDAVXSWSA-N 1 0 391.515 3.642 10 0 GHAERO CC1(C)CCc2ccccc2[C@@H]1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000246340862 845390988 /nfs/dbraw/zinc/39/09/88/845390988.db2.gz MULUJCRRBFKJDT-VSKRKVRLSA-N 1 0 399.579 3.767 10 0 GHAERO C[C@@H]1CC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c2ccccc21 ZINC000246684922 848131504 /nfs/dbraw/zinc/13/15/04/848131504.db2.gz WDDPUKRFYGMNBN-YPVJZLTNSA-N 1 0 385.552 3.692 10 0 GHAERO C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(F)c(Cl)c1 ZINC000246713865 850725058 /nfs/dbraw/zinc/72/50/58/850725058.db2.gz FKXDDDAJCPJMOO-MJXNMMHHSA-N 1 0 397.922 3.607 10 0 GHAERO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000051056370 854688360 /nfs/dbraw/zinc/68/83/60/854688360.db2.gz TTXMGMCCQQDQOA-HUUCEWRRSA-N 1 0 380.916 3.723 10 0 GHAERO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CCC(c2cc[nH]n2)CC1 ZINC000158047126 856041013 /nfs/dbraw/zinc/04/10/13/856041013.db2.gz NSOSQDBWEMXXIH-UHFFFAOYSA-N 1 0 395.551 3.875 10 0 GHAERO O=C(C1=Cc2cc(Cl)ccc2OC1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186586040 856502813 /nfs/dbraw/zinc/50/28/13/856502813.db2.gz VRWXFQFNSITAFT-FQEVSTJZSA-N 1 0 397.906 3.682 10 0 GHAERO O=C(NCCCC[NH+]1CCCC1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113592869 858283742 /nfs/dbraw/zinc/28/37/42/858283742.db2.gz ZGLCKFAUSCZRNR-FQEVSTJZSA-N 1 0 395.551 3.842 10 0 GHAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000174979501 860476701 /nfs/dbraw/zinc/47/67/01/860476701.db2.gz HCKWTRXJDYRYND-VQTJNVASSA-N 1 0 396.535 3.878 10 0 GHAERO COc1cc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)ccc1OCc1c(C)noc1C ZINC000128539483 860912438 /nfs/dbraw/zinc/91/24/38/860912438.db2.gz UJHWDCGINJGUIG-SFHVURJKSA-N 1 0 396.491 3.602 10 0 GHAERO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000329101018 861018891 /nfs/dbraw/zinc/01/88/91/861018891.db2.gz ZPIOFIXNBPLSGI-HYVNUMGLSA-N 1 0 397.441 3.705 10 0 GHAERO COc1ccc([C@@H](C)NC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1OC ZINC000177373385 863326475 /nfs/dbraw/zinc/32/64/75/863326475.db2.gz OLNMJQTZHFIMHI-MRXNPFEDSA-N 1 0 389.540 3.861 10 0 GHAERO C[C@H]1CCC[N@@H+]1C1CCN(c2ncc(C(=O)N3CCCCC3)cc2Cl)CC1 ZINC000301755267 865524245 /nfs/dbraw/zinc/52/42/45/865524245.db2.gz CXGJFKIVVWDARN-INIZCTEOSA-N 1 0 390.959 3.814 10 0 GHAERO O=C(c1csc(-c2c(F)cccc2F)n1)N1CCC([NH+]2CCCC2)CC1 ZINC000171143647 882115349 /nfs/dbraw/zinc/11/53/49/882115349.db2.gz LKCUHKWLYGPNEY-UHFFFAOYSA-N 1 0 377.460 3.789 10 0 GHAERO O=C(Nc1ccc(F)cc1)C1CC[NH+](C[C@H](O)c2ccccc2Cl)CC1 ZINC000101917014 872363237 /nfs/dbraw/zinc/36/32/37/872363237.db2.gz RZHWGKQCOWCKMH-IBGZPJMESA-N 1 0 376.859 3.863 10 0 GHAERO CC(C)[C@H](C)NC(=O)C1CC[NH+](CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000102400197 873045601 /nfs/dbraw/zinc/04/56/01/873045601.db2.gz YHOJHMNLTSPMTC-KRWDZBQOSA-N 1 0 395.588 3.506 10 0 GHAERO COc1ccc([C@H](C)CC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000176606269 882718823 /nfs/dbraw/zinc/71/88/23/882718823.db2.gz KUBDCAQRAHKUJS-HMFYCAOWSA-N 1 0 381.520 3.611 10 0 GHAERO C[C@@H](NC1CC[NH+](CC2CCCC2)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000178159101 882890660 /nfs/dbraw/zinc/89/06/60/882890660.db2.gz GKNSJOCESNHLHB-OAHLLOKOSA-N 1 0 382.545 3.534 10 0 GHAERO O=C(C1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1)N1CCCCCC1 ZINC000179753772 883025375 /nfs/dbraw/zinc/02/53/75/883025375.db2.gz WKFSZLMGWROTSX-UHFFFAOYSA-N 1 0 394.519 3.884 10 0 GHAERO COc1ccc(-c2n[nH]cc2C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000121050954 876461116 /nfs/dbraw/zinc/46/11/16/876461116.db2.gz KBFVDGHOKYQIAM-UHFFFAOYSA-N 1 0 396.535 3.700 10 0 GHAERO Brc1ccc([C@@H]([NH2+]Cc2cccnc2-n2cncn2)C2CC2)cc1 ZINC000180019356 883045815 /nfs/dbraw/zinc/04/58/15/883045815.db2.gz LHWQRKSNOHLNBR-KRWDZBQOSA-N 1 0 384.281 3.666 10 0 GHAERO Cc1cccc2c(CCC(=O)N[C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)c[nH]c21 ZINC000121189555 876581461 /nfs/dbraw/zinc/58/14/61/876581461.db2.gz WHFBVTBNBWITEM-AVRDEDQJSA-N 1 0 390.531 3.831 10 0 GHAERO Cc1nnc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c2ccccc2)[nH]1 ZINC000180614061 883085290 /nfs/dbraw/zinc/08/52/90/883085290.db2.gz GOVIJTKQPSJLDY-XVLXNVKGSA-N 1 0 397.523 3.723 10 0 GHAERO Cc1ccc(N2CCC([NH2+]C3CCC(NC(=O)OC(C)(C)C)CC3)CC2)nc1 ZINC000180622037 883086957 /nfs/dbraw/zinc/08/69/57/883086957.db2.gz YWIMNYFJJNCBOE-UHFFFAOYSA-N 1 0 388.556 3.784 10 0 GHAERO CCCN(C(=O)c1ccccc1NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)C(C)C ZINC000180632262 883087745 /nfs/dbraw/zinc/08/77/45/883087745.db2.gz QZAWRSKEZAXENJ-PXNSSMCTSA-N 1 0 386.540 3.505 10 0 GHAERO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000184518153 883351135 /nfs/dbraw/zinc/35/11/35/883351135.db2.gz HJVBZTNYMDTDEF-RCDICMHDSA-N 1 0 383.467 3.928 10 0 GHAERO c1sc(-c2ccc3c(c2)OCO3)nc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000102514337 883511803 /nfs/dbraw/zinc/51/18/03/883511803.db2.gz OHIYNQBUKYBOPR-UHFFFAOYSA-N 1 0 385.533 3.847 10 0 GHAERO CCCN(CCc1ccccn1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000105068805 883618649 /nfs/dbraw/zinc/61/86/49/883618649.db2.gz IJBCSLXUNFXNTR-QFIPXVFZSA-N 1 0 380.536 3.883 10 0 GHAERO CN1Cc2cc(NC(=O)N[C@H](C[NH+]3CCCC3)c3ccccc3)ccc2NC1=O ZINC000186653589 883683116 /nfs/dbraw/zinc/68/31/16/883683116.db2.gz TTZKSQRHOKTDLW-HXUWFJFHSA-N 1 0 393.491 3.623 10 0 GHAERO CN1Cc2cc(NC(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)ccc2NC1=O ZINC000186664279 883684268 /nfs/dbraw/zinc/68/42/68/883684268.db2.gz HXGVTXIUQVBRCH-GOSISDBHSA-N 1 0 397.479 3.606 10 0 GHAERO C[NH+]1CCC(Oc2ccc(N[C@@H](c3ncc[nH]3)c3ccc(F)cc3)cn2)CC1 ZINC000188369495 883836899 /nfs/dbraw/zinc/83/68/99/883836899.db2.gz XUVIBCZANFOVCQ-HXUWFJFHSA-N 1 0 381.455 3.618 10 0 GHAERO COc1ccc(C(=O)CCCCCC(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000190345680 884069579 /nfs/dbraw/zinc/06/95/79/884069579.db2.gz JTGBRHQFAXBQDH-UHFFFAOYSA-N 1 0 386.536 3.915 10 0 GHAERO COc1ccccc1CCN(C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000105083522 884110863 /nfs/dbraw/zinc/11/08/63/884110863.db2.gz DMMIFQWQLRKUSX-SFHVURJKSA-N 1 0 387.549 3.778 10 0 GHAERO CCCN(CCc1ccccn1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000105118790 884267028 /nfs/dbraw/zinc/26/70/28/884267028.db2.gz ADACDYYSRPXWNH-UHFFFAOYSA-N 1 0 380.536 3.842 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000116568347 886365480 /nfs/dbraw/zinc/36/54/80/886365480.db2.gz TYYUVRXYUCDNIH-JTSKRJEESA-N 1 0 396.510 3.805 10 0 GHAERO O=C(NCc1cccc(COCC(F)(F)F)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000119424572 886460737 /nfs/dbraw/zinc/46/07/37/886460737.db2.gz PFEKNOUHLOCMEE-UHFFFAOYSA-N 1 0 399.457 3.535 10 0 GHAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)Nc3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000125054401 886822842 /nfs/dbraw/zinc/82/28/42/886822842.db2.gz GYLXTSISSHIODU-QGZVFWFLSA-N 1 0 385.339 3.627 10 0 GHAERO COCc1cc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)ccc1OC ZINC000126263056 886951026 /nfs/dbraw/zinc/95/10/26/886951026.db2.gz DXEOZDCEIPPDAK-SPEDKVCISA-N 1 0 383.536 3.798 10 0 GHAERO CC(=O)Nc1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c(C(F)(F)F)c1 ZINC000047397952 887313724 /nfs/dbraw/zinc/31/37/24/887313724.db2.gz TUICXDCJQZIJQX-UHFFFAOYSA-N 1 0 398.429 3.756 10 0 GHAERO COc1ccccc1CC1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000105273197 888288195 /nfs/dbraw/zinc/28/81/95/888288195.db2.gz CIFWCZFWBJYXNQ-FQEVSTJZSA-N 1 0 387.568 3.780 10 0 GHAERO CC(C)COc1ccc(CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000056406651 888360574 /nfs/dbraw/zinc/36/05/74/888360574.db2.gz BOSXVVAINNQSKC-UHFFFAOYSA-N 1 0 396.535 3.580 10 0 GHAERO O=C(c1ccccc1)N1CCC(C[NH2+][C@H](c2cccs2)c2ncc[nH]2)CC1 ZINC000195040924 888639282 /nfs/dbraw/zinc/63/92/82/888639282.db2.gz BWZGFRTVVLZWKI-LJQANCHMSA-N 1 0 380.517 3.703 10 0 GHAERO C[C@H](CCOc1ccccc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000245442541 888738208 /nfs/dbraw/zinc/73/82/08/888738208.db2.gz ICMBJGSUTYPOIY-XQBPLPMBSA-N 1 0 381.520 3.513 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@H](OC(C)(C)C)c1ccccc1 ZINC000245549616 888907284 /nfs/dbraw/zinc/90/72/84/888907284.db2.gz OHPVEVCRMFELDM-STZQEDGTSA-N 1 0 395.547 3.965 10 0 GHAERO Cc1nn(C(F)F)c(C)c1CC(=O)NC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000065591653 889731040 /nfs/dbraw/zinc/73/10/40/889731040.db2.gz HAAAIRASIHMHKI-UHFFFAOYSA-N 1 0 390.478 3.527 10 0 GHAERO C[N@@H+]1CC[C@@H](NC(=O)c2cc(N3CCCC3=O)ccc2Cl)[C@H]1c1ccccc1 ZINC000245809945 889767216 /nfs/dbraw/zinc/76/72/16/889767216.db2.gz CGSSNQQXUZKRED-TZIWHRDSSA-N 1 0 397.906 3.642 10 0 GHAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc4nc(-c5ccccn5)oc4c3)CC[C@H]21 ZINC000246124020 890420545 /nfs/dbraw/zinc/42/05/45/890420545.db2.gz QFAJDRDECPYJIY-DNVCBOLYSA-N 1 0 391.475 3.838 10 0 GHAERO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000246399644 891118119 /nfs/dbraw/zinc/11/81/19/891118119.db2.gz LOTAULZFGRPNQS-CDXJDZJCSA-N 1 0 387.549 3.704 10 0 GHAERO CC(C)COC(=O)Nc1cccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000067585657 891156657 /nfs/dbraw/zinc/15/66/57/891156657.db2.gz OBGNKXCAHYLLLK-UHFFFAOYSA-N 1 0 388.512 3.983 10 0 GHAERO CCOc1c(OC)cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1OC ZINC000246468955 891268504 /nfs/dbraw/zinc/26/85/04/891268504.db2.gz OJKFGRSRPVUGNK-IAGOWNOFSA-N 1 0 375.465 3.784 10 0 GHAERO Cc1ccc(OCc2nc(CN3CCS[C@H]4COCC[C@H]43)cs2)cc1 ZINC000246735849 891303277 /nfs/dbraw/zinc/30/32/77/891303277.db2.gz GKXDKQHZNWVANJ-MSOLQXFVSA-N 1 0 376.547 3.737 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000246814729 891311259 /nfs/dbraw/zinc/31/12/59/891311259.db2.gz BRUJFLMWIXTKIV-OXQOHEQNSA-N 1 0 386.927 3.787 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccccc1C(F)(F)F ZINC000247062745 891340286 /nfs/dbraw/zinc/34/02/86/891340286.db2.gz BOYLCARURLZAIA-KBXCAEBGSA-N 1 0 377.410 3.741 10 0 GHAERO CC(C)Oc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000247567811 891386469 /nfs/dbraw/zinc/38/64/69/891386469.db2.gz WBSVZMGZXMQEDM-DYESRHJHSA-N 1 0 382.508 3.901 10 0 GHAERO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cc2ccccc2o1 ZINC000248327728 891418692 /nfs/dbraw/zinc/41/86/92/891418692.db2.gz CNIVDKKWUOYOSR-FUHIMQAGSA-N 1 0 377.488 3.958 10 0 GHAERO CN1CC[C@H](CNC(=O)c2c[nH]nc2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248633490 891448166 /nfs/dbraw/zinc/44/81/66/891448166.db2.gz JDGNZBSOQXBVRE-FZKQIMNGSA-N 1 0 376.863 3.502 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N[C@@H]1CCCc2sccc21 ZINC000248719132 891461544 /nfs/dbraw/zinc/46/15/44/891461544.db2.gz LIGBRNQNOVMAGP-ATZDWAIDSA-N 1 0 384.549 3.730 10 0 GHAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)[C@@H](C)C1 ZINC000248875478 891477872 /nfs/dbraw/zinc/47/78/72/891477872.db2.gz CIVYZUNWPRVIGQ-KBXCAEBGSA-N 1 0 398.473 3.759 10 0 GHAERO C[N@@H+]1CC[C@H](CN[C@@H](c2ncc[nH]2)c2cccnc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000249106988 891495692 /nfs/dbraw/zinc/49/56/92/891495692.db2.gz PRVSZMGBZXOPKS-AHRSYUTCSA-N 1 0 399.901 3.969 10 0 GHAERO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000333131870 899986867 /nfs/dbraw/zinc/98/68/67/899986867.db2.gz JRBODLCDYPSMHW-CVEARBPZSA-N 1 0 389.393 3.595 10 0 GHAERO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Nc2nc3c(s2)CCCCCC3)CC1 ZINC000333361028 902034506 /nfs/dbraw/zinc/03/45/06/902034506.db2.gz STUYTKMRAHJHGG-QAPCUYQASA-N 1 0 392.569 3.552 10 0 GHAERO O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000333372907 902044530 /nfs/dbraw/zinc/04/45/30/902044530.db2.gz MRDZSISSDNADJO-WSTZPKSXSA-N 1 0 383.536 3.854 10 0 GHAERO c1cncc(-c2nc3sc4c(c3c(N3CC[C@@]5(CC[NH2+]C5)C3)n2)CCCC4)c1 ZINC000333884803 902398084 /nfs/dbraw/zinc/39/80/84/902398084.db2.gz FNPIVUUGDIBXAY-JOCHJYFZSA-N 1 0 391.544 3.822 10 0 GHAERO CCC[N@H+](Cc1ncc([C@H](C)O)s1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000366041432 921293154 /nfs/dbraw/zinc/29/31/54/921293154.db2.gz SJUKGHUKSHWZOZ-INIZCTEOSA-N 1 0 387.549 3.713 10 0 GHAERO CN(C(=O)Cc1cccc2occc21)[C@@H]1CC[C@]2(CCCO2)C[C@H]1[NH+]1CCCC1 ZINC000000597356 209166129 /nfs/dbraw/zinc/16/61/29/209166129.db2.gz JMBYBVLCYODBJQ-PQNGQFLHSA-N 1 0 396.531 4.000 10 0 in-vitro GHAERO CCN1CCC[C@@H](C[N@H+](C)C[C@@H](O)c2ccccc2Cl)[C@@H]1c1cnn(C)c1 ZINC000328625337 209148241 /nfs/dbraw/zinc/14/82/41/209148241.db2.gz CZWUUAJWHPFALC-ZLGUVYLKSA-N 1 0 390.959 3.512 10 0 GHAERO CCCOc1c(Br)cc(C[NH2+]CCN(C)C)cc1Br ZINC000020967548 210371522 /nfs/dbraw/zinc/37/15/22/210371522.db2.gz COHZGYLIDUIQQU-UHFFFAOYSA-N 1 0 394.151 3.652 10 0 GHAERO CCCOc1ccc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc1 ZINC000020925287 210368328 /nfs/dbraw/zinc/36/83/28/210368328.db2.gz CLPKJSMEALIHPS-UHFFFAOYSA-N 1 0 383.521 3.723 10 0 GHAERO CC(C)C(=O)N(CC[NH+](C)C)Cc1nccn1Cc1ccc(Cl)c(Cl)c1 ZINC000006724009 570552572 /nfs/dbraw/zinc/55/25/72/570552572.db2.gz SUIHWMWAMMFVRD-UHFFFAOYSA-N 1 0 397.350 3.784 10 0 GHAERO CCOC1(c2nc([C@H]3CCCO3)no2)CC[NH+](Cc2sccc2C)CC1 ZINC000583615905 570800894 /nfs/dbraw/zinc/80/08/94/570800894.db2.gz MWPRNHKCFWQEAV-OAHLLOKOSA-N 1 0 377.510 3.819 10 0 GHAERO Cc1cc(-c2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)cc(Cl)c1Br ZINC000329628425 835457373 /nfs/dbraw/zinc/45/73/73/835457373.db2.gz VVQAZBISWKWBOW-AAEUAGOBSA-N 1 0 398.688 3.997 10 0 GHAERO CC(C)c1noc(-c2ccc(NC(=O)N3CCC([NH+]4CCCC4)CC3)cc2)n1 ZINC000103291602 837296921 /nfs/dbraw/zinc/29/69/21/837296921.db2.gz BXYYLPOBZIIZSV-UHFFFAOYSA-N 1 0 383.496 3.952 10 0 GHAERO Cc1cc(=O)n2nc(C[N@@H+]3CCC[C@@H]3[C@H]3CCCc4ccccc43)sc2n1 ZINC000363917350 839559017 /nfs/dbraw/zinc/55/90/17/839559017.db2.gz KNMDOMWBVCVRKY-ZWKOTPCHSA-N 1 0 380.517 3.544 10 0 GHAERO Cc1cc(=O)n2nc(C[N@@H+]3CCC[C@H]3[C@H]3CCCc4ccccc43)sc2n1 ZINC000363917349 839559133 /nfs/dbraw/zinc/55/91/33/839559133.db2.gz KNMDOMWBVCVRKY-ROUUACIJSA-N 1 0 380.517 3.544 10 0 GHAERO COc1cccc([C@@H]2[C@H](NC(=O)/C=C\c3cncc(C)c3)CC[N@@H+]2C2CC2)c1 ZINC000588396716 840517732 /nfs/dbraw/zinc/51/77/32/840517732.db2.gz WURAEBIWBPFBEF-LROONQARSA-N 1 0 377.488 3.506 10 0 GHAERO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3C[C@H]4CCC[N@@H+]4C[C@H]3C)c12 ZINC000247200109 840636018 /nfs/dbraw/zinc/63/60/18/840636018.db2.gz LOMHDHQWBBMXRL-NVXWUHKLSA-N 1 0 397.567 3.927 10 0 GHAERO CC(C)(C)c1cc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)n(-c2ccc(F)cc2)n1 ZINC000329348911 861311991 /nfs/dbraw/zinc/31/19/91/861311991.db2.gz DQUOHKQAXUNCBZ-KRWDZBQOSA-N 1 0 385.487 3.621 10 0 GHAERO Cc1cccnc1/C=C\C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000588455492 843356643 /nfs/dbraw/zinc/35/66/43/843356643.db2.gz PIVMTZGLPQSHGF-CNZFZVQHSA-N 1 0 389.421 3.813 10 0 GHAERO CC(C)c1nn(C)c2sc(-c3nc([C@H]4C[N@@H+]5CCC[C@@]5(C)CO4)no3)cc12 ZINC000329569983 861674557 /nfs/dbraw/zinc/67/45/57/861674557.db2.gz INWBRVCDVJLJMH-YJYMSZOUSA-N 1 0 387.509 3.734 10 0 GHAERO O=C(Nc1cccc(-c2ccc3ccccc3c2)n1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000167023744 861822202 /nfs/dbraw/zinc/82/22/02/861822202.db2.gz CJEIFHCYILRABF-UHFFFAOYSA-N 1 0 398.470 3.670 10 0 GHAERO C[C@@H]1CC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c2ccccc21 ZINC000246684880 848131606 /nfs/dbraw/zinc/13/16/06/848131606.db2.gz WDDPUKRFYGMNBN-IDZYALCFSA-N 1 0 385.552 3.692 10 0 GHAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccsc1NC(=O)c1ccc2c(c1)CCC2 ZINC000237967176 848874945 /nfs/dbraw/zinc/87/49/45/848874945.db2.gz HUWAKMTZUOLGRY-JWTNVVGKSA-N 1 0 395.528 3.502 10 0 GHAERO CCOc1ccc([C@@H](C)NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1OC ZINC000156859639 857159242 /nfs/dbraw/zinc/15/92/42/857159242.db2.gz YEVFBYJIPGHKMQ-IEBWSBKVSA-N 1 0 389.540 3.815 10 0 GHAERO COc1ccccc1CC1CC[NH+](Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000102410548 860263213 /nfs/dbraw/zinc/26/32/13/860263213.db2.gz NSYMVXVRVJEGRV-UHFFFAOYSA-N 1 0 397.906 3.811 10 0 GHAERO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2OC)cc1Br ZINC000102697596 860821049 /nfs/dbraw/zinc/82/10/49/860821049.db2.gz IRMVLOSUVBABIU-LBPRGKRZSA-N 1 0 393.281 3.756 10 0 GHAERO C[NH+](C)[C@@H](CNC(=O)N[C@H](c1ccccc1)c1ccncc1)c1cccc(F)c1 ZINC000103298745 863945036 /nfs/dbraw/zinc/94/50/36/863945036.db2.gz AHNNNVRYGLSQOW-FCHUYYIVSA-N 1 0 392.478 3.912 10 0 GHAERO C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000173453097 865645164 /nfs/dbraw/zinc/64/51/64/865645164.db2.gz SGDOXUPIQBHRGW-NQIIRXRSSA-N 1 0 381.524 3.593 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc2scnc2c1 ZINC000172152564 882173228 /nfs/dbraw/zinc/17/32/28/882173228.db2.gz ROFXSLMBHJANKZ-YOEHRIQHSA-N 1 0 381.505 3.723 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000172172569 882175031 /nfs/dbraw/zinc/17/50/31/882175031.db2.gz OYLHMVAYAPQXNU-WTNAPCKOSA-N 1 0 378.520 3.743 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1CC2(CC2)c2ccccc21 ZINC000172492270 882289797 /nfs/dbraw/zinc/28/97/97/882289797.db2.gz MDKCLDUMKGCCJS-PXNSSMCTSA-N 1 0 376.504 3.553 10 0 GHAERO COc1cc(C)ccc1Oc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cn1 ZINC000105001574 870608495 /nfs/dbraw/zinc/60/84/95/870608495.db2.gz VARQKXQXWWWWEJ-GOSISDBHSA-N 1 0 396.491 3.893 10 0 GHAERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CCC[C@@H](c2nccs2)C1 ZINC000114820354 870702779 /nfs/dbraw/zinc/70/27/79/870702779.db2.gz BOXAGGDGCJCNDG-LJQANCHMSA-N 1 0 384.549 3.828 10 0 GHAERO Cc1sc(-c2ccco2)nc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116244924 873365924 /nfs/dbraw/zinc/36/59/24/873365924.db2.gz UEMXPXONPQWRJZ-WMLDXEAASA-N 1 0 396.516 3.747 10 0 GHAERO Cc1nn(-c2ccccc2)cc1C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000121029262 876453034 /nfs/dbraw/zinc/45/30/34/876453034.db2.gz ZQRXOWWNQVAHEX-UHFFFAOYSA-N 1 0 380.536 3.795 10 0 GHAERO CCC(CC)n1nc(C)cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000180858827 883103108 /nfs/dbraw/zinc/10/31/08/883103108.db2.gz JYDWFPIXUUNTHB-JXFKEZNVSA-N 1 0 383.540 3.588 10 0 GHAERO CCOc1cc(C[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)ccc1OC ZINC000185361149 883440533 /nfs/dbraw/zinc/44/05/33/883440533.db2.gz SIBLBJAPKWGKJH-FQEVSTJZSA-N 1 0 386.467 3.816 10 0 GHAERO CC(=O)N1CC[C@@H]([NH2+]Cc2cnn(-c3ccccc3)c2)c2ccc(F)cc2C1 ZINC000185365277 883442763 /nfs/dbraw/zinc/44/27/63/883442763.db2.gz QRWKKVXEWFUCKE-JOCHJYFZSA-N 1 0 378.451 3.595 10 0 GHAERO Cc1ccc(N2CCC([NH2+]C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC2)nc1 ZINC000191101050 884154672 /nfs/dbraw/zinc/15/46/72/884154672.db2.gz QIMMNDNMMXPMGU-JOCHJYFZSA-N 1 0 388.556 3.596 10 0 GHAERO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CCC[C@H](c2nccs2)C1 ZINC000114829195 886330306 /nfs/dbraw/zinc/33/03/06/886330306.db2.gz AFXVLFFGQXRNFP-PMACEKPBSA-N 1 0 398.576 3.597 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000116250864 886358607 /nfs/dbraw/zinc/35/86/07/886358607.db2.gz NXOJTDPWPDRQHE-APWZRJJASA-N 1 0 395.551 3.551 10 0 GHAERO C[C@H](NC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)c1cccc(C(F)(F)F)c1 ZINC000125819319 886903175 /nfs/dbraw/zinc/90/31/75/886903175.db2.gz SATSRKRIQHPYFR-CABCVRRESA-N 1 0 399.457 3.661 10 0 GHAERO COc1ccccc1CCN(C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000105077277 887453625 /nfs/dbraw/zinc/45/36/25/887453625.db2.gz HORBWUOZKVVPOK-IBGZPJMESA-N 1 0 385.508 3.699 10 0 GHAERO Cc1ccc(NC(=O)[C@@H](C)N2CCC([NH+]3CCCC3)CC2)c(Br)c1 ZINC000051953126 887799644 /nfs/dbraw/zinc/79/96/44/887799644.db2.gz NNTSDMIXXWBBTP-OAHLLOKOSA-N 1 0 394.357 3.645 10 0 GHAERO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000105192095 887799723 /nfs/dbraw/zinc/79/97/23/887799723.db2.gz IQIPJGFQLSRJQU-CJNGLKHVSA-N 1 0 376.501 3.712 10 0 GHAERO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)Nc2ccc3c(c2)C[N@@H+](C)C3)c1 ZINC000194513987 888609737 /nfs/dbraw/zinc/60/97/37/888609737.db2.gz NRYBRPBPIXNMMU-INIZCTEOSA-N 1 0 394.519 3.553 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1CCCC[C@H]1c1nccs1 ZINC000245472019 888768983 /nfs/dbraw/zinc/76/89/83/888768983.db2.gz OMTTVXBAAWSJES-NEWSRXKRSA-N 1 0 399.564 3.685 10 0 GHAERO Cc1cccnc1CNC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245665447 889188685 /nfs/dbraw/zinc/18/86/85/889188685.db2.gz GVOIRBZRLAKODR-KXBFYZLASA-N 1 0 390.890 3.675 10 0 GHAERO CC(C)c1nn(C)c(Cl)c1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000245681689 889215059 /nfs/dbraw/zinc/21/50/59/889215059.db2.gz MUKHUHFXQCVHCY-PBHICJAKSA-N 1 0 396.869 3.650 10 0 GHAERO CN(Cc1cscn1)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245713430 889399651 /nfs/dbraw/zinc/39/96/51/889399651.db2.gz PQRHJQCGDOJTDB-CXAGYDPISA-N 1 0 396.919 3.770 10 0 GHAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCc2coc(-c3ccc(C)cc3)n2)[C@@H](C)C1 ZINC000246351168 891054956 /nfs/dbraw/zinc/05/49/56/891054956.db2.gz FQJQNXRFTCUTBL-PXNSSMCTSA-N 1 0 384.524 3.564 10 0 GHAERO CC[C@H](NC(=O)NC1CC[NH+](CCc2ccncc2)CC1)c1ccc(OC)cc1 ZINC000072075217 891239180 /nfs/dbraw/zinc/23/91/80/891239180.db2.gz OUGGRECBIQKVLO-QFIPXVFZSA-N 1 0 396.535 3.548 10 0 GHAERO CCOCCC1(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000246511664 891280456 /nfs/dbraw/zinc/28/04/56/891280456.db2.gz IHYLEAHCOGYFAV-PZJWPPBQSA-N 1 0 387.568 3.888 10 0 GHAERO CCCOc1ccc(CCC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246759853 891304255 /nfs/dbraw/zinc/30/42/55/891304255.db2.gz HQXWIPGXBQQRJD-AUSIDOKSSA-N 1 0 395.547 3.830 10 0 GHAERO CCN(C(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1nc2ccccc2s1 ZINC000246869507 891319870 /nfs/dbraw/zinc/31/98/70/891319870.db2.gz PZCWIUMRSUEBRL-LPHOPBHVSA-N 1 0 398.576 3.598 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc2ncsc2c1 ZINC000246945989 891324687 /nfs/dbraw/zinc/32/46/87/891324687.db2.gz JAQQXQHSIBWCCX-RHSMWYFYSA-N 1 0 381.505 3.723 10 0 GHAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)[C@@H]3C[C@H]3c3cccc4ccccc43)C2)CC1 ZINC000246988679 891328918 /nfs/dbraw/zinc/32/89/18/891328918.db2.gz QQDLWQIZDUDQCH-FGCOXFRFSA-N 1 0 391.559 3.572 10 0 GHAERO Cc1cccc(OCCCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247329842 891368723 /nfs/dbraw/zinc/36/87/23/891368723.db2.gz YBXZGXJAVXHZIC-DENIHFKCSA-N 1 0 381.520 3.576 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCc1cc2ccccc2o1 ZINC000247545906 891382864 /nfs/dbraw/zinc/38/28/64/891382864.db2.gz RQPYYHOBMPVYDN-OXJNMPFZSA-N 1 0 378.476 3.538 10 0 GHAERO CCc1nc2cc(NC(=O)N[C@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)ccc2o1 ZINC000247546894 891383781 /nfs/dbraw/zinc/38/37/81/891383781.db2.gz RSBVWMZHLXIPEX-QAPCUYQASA-N 1 0 393.491 3.817 10 0 GHAERO CC(C)N(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247578694 891388298 /nfs/dbraw/zinc/38/82/98/891388298.db2.gz YASZXYPXXCIGOR-DENIHFKCSA-N 1 0 380.536 3.912 10 0 GHAERO C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(F)(F)F)nc2Cl)[C@H]1c1ccccc1 ZINC000247914418 891398469 /nfs/dbraw/zinc/39/84/69/891398469.db2.gz AUGROKNRAQVBQE-DZGCQCFKSA-N 1 0 383.801 3.929 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c2ccc(F)cc2C1 ZINC000248653224 891451729 /nfs/dbraw/zinc/45/17/29/891451729.db2.gz UOKQXFOCSZQNBK-YJGRUCBDSA-N 1 0 395.522 3.872 10 0 GHAERO COC(=O)Nc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1F ZINC000249007120 891487703 /nfs/dbraw/zinc/48/77/03/891487703.db2.gz IBNLDJZEWZRYEE-QZTJIDSGSA-N 1 0 386.427 3.571 10 0 GHAERO COc1cccc(N2CC[C@H](C[NH2+][C@@H](c3ncc[nH]3)c3ccc(F)cc3)C2)c1 ZINC000249183702 891501300 /nfs/dbraw/zinc/50/13/00/891501300.db2.gz JQMDPOAMXIDMDP-IIBYNOLFSA-N 1 0 380.467 3.763 10 0 GHAERO Cc1cc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)nc(C(F)(F)F)n1 ZINC000249564871 891510068 /nfs/dbraw/zinc/51/00/68/891510068.db2.gz MTVGFSQRFOWBGY-HUUCEWRRSA-N 1 0 384.446 3.530 10 0 GHAERO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCC[C@@H](c2nccs2)C1 ZINC000249868506 891528138 /nfs/dbraw/zinc/52/81/38/891528138.db2.gz ISZGXCLJLVNGFU-UONOGXRCSA-N 1 0 381.509 3.595 10 0 GHAERO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCC[C@@H](c2nccs2)C1 ZINC000249868509 891528906 /nfs/dbraw/zinc/52/89/06/891528906.db2.gz ISZGXCLJLVNGFU-ZIAGYGMSSA-N 1 0 381.509 3.595 10 0 GHAERO Cc1nc(-c2cccc(NC(=O)N3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)c2)oc1C ZINC000333188300 900021315 /nfs/dbraw/zinc/02/13/15/900021315.db2.gz UGHFHMVVNLJAGD-PMACEKPBSA-N 1 0 398.507 3.709 10 0 GHAERO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2cccc(OC3CCCC3)c2)CC1 ZINC000333197372 900029131 /nfs/dbraw/zinc/02/91/31/900029131.db2.gz WPEDXKBSDXKNDV-NHCUHLMSSA-N 1 0 387.524 3.758 10 0 GHAERO Cc1ccc(Br)c(NC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000333202097 900032978 /nfs/dbraw/zinc/03/29/78/900032978.db2.gz YBQKHUDUDDFMHE-WBVHZDCISA-N 1 0 396.329 3.508 10 0 GHAERO Cc1nc([C@@H]2CCCN2CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cs1 ZINC000189750533 908371521 /nfs/dbraw/zinc/37/15/21/908371521.db2.gz RFBJAEQJIISKBN-NRFANRHFSA-N 1 0 398.576 3.501 10 0 GHAERO O=C(NC[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1)c1cccs1 ZINC000015068446 210148291 /nfs/dbraw/zinc/14/82/91/210148291.db2.gz PMEVRQJPNUWJFP-MRXNPFEDSA-N 1 0 380.517 3.780 10 0 GHAERO CC(C)c1cc(C(=O)N2CCC([C@@H]3CC[N@H+](CCc4ccccc4)C3)CC2)[nH]n1 ZINC000072150282 211076064 /nfs/dbraw/zinc/07/60/64/211076064.db2.gz HHSCEXAZNFDFNS-OAQYLSRUSA-N 1 0 394.563 3.950 10 0 GHAERO CN(CCc1cn[nH]c1)C(=O)c1cccc(OC2CC[NH+](CC(C)(C)C)CC2)c1 ZINC000067840186 211025085 /nfs/dbraw/zinc/02/50/85/211025085.db2.gz JSZKSWZXXYZJEE-UHFFFAOYSA-N 1 0 398.551 3.614 10 0 GHAERO CCOc1cc(CN2CCC[C@@H]([N@H+](CC)Cc3ccncc3)C2)ccc1OC ZINC000019741206 210290262 /nfs/dbraw/zinc/29/02/62/210290262.db2.gz BSOSVDKLNUNTFS-OAQYLSRUSA-N 1 0 383.536 3.975 10 0 GHAERO COCCC[N@@H+](Cc1ccc(OC)cc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036095232 570534195 /nfs/dbraw/zinc/53/41/95/570534195.db2.gz ALLRXFFZZKTAQS-IBGZPJMESA-N 1 0 393.911 3.627 10 0 GHAERO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000330103180 839509020 /nfs/dbraw/zinc/50/90/20/839509020.db2.gz GBWIGSYFMNVIDU-OFNKIYASSA-N 1 0 385.552 3.874 10 0 GHAERO Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(N4CCOC4=O)cc3)CC2)nc1 ZINC000163463073 842994697 /nfs/dbraw/zinc/99/46/97/842994697.db2.gz FAUWOEMHNHYETN-KRWDZBQOSA-N 1 0 380.492 3.666 10 0 GHAERO COc1cccc([C@@H]2[C@H](NC(=O)/C=C\c3ncccc3C)CC[N@@H+]2C2CC2)c1 ZINC000588455918 843360143 /nfs/dbraw/zinc/36/01/43/843360143.db2.gz DNTVWVLAOPZTAF-ZLVHQKRJSA-N 1 0 377.488 3.506 10 0 GHAERO Cn1nccc1[C@H]1[C@H]([NH2+]C2CCC(C)(c3ccccc3)CC2)CCC(=O)N1C ZINC000329034589 845682982 /nfs/dbraw/zinc/68/29/82/845682982.db2.gz QSVVLFGIGYMCLX-PWIBJQSTSA-N 1 0 380.536 3.572 10 0 GHAERO O=C(Cc1c[nH]c2cccc(Br)c12)N1CCC([NH+]2CCCC2)CC1 ZINC000152398658 846864491 /nfs/dbraw/zinc/86/44/91/846864491.db2.gz GWHZKUXHVJUMIZ-UHFFFAOYSA-N 1 0 390.325 3.560 10 0 GHAERO Cc1c([C@H](C)[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)cnn1-c1ccccn1 ZINC000119939153 847699557 /nfs/dbraw/zinc/69/95/57/847699557.db2.gz GKGONQGNMCLZFE-GOEBONIOSA-N 1 0 382.899 3.554 10 0 GHAERO Cc1cc(C)n(-c2ccc(C[NH+]3CCC(C(=O)N[C@H](C)C(C)C)CC3)cc2)n1 ZINC000101549495 851671394 /nfs/dbraw/zinc/67/13/94/851671394.db2.gz PZBPRGKLCYEURC-LJQANCHMSA-N 1 0 382.552 3.862 10 0 GHAERO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cccc(F)c3Br)n1)OC2 ZINC000328825818 854552489 /nfs/dbraw/zinc/55/24/89/854552489.db2.gz HRWJOULCXRDBMR-BLLLJJGKSA-N 1 0 382.233 3.564 10 0 GHAERO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000247033883 855587781 /nfs/dbraw/zinc/58/77/81/855587781.db2.gz NTCBZPCWKWIQAX-UCFCWBNQSA-N 1 0 399.579 3.898 10 0 GHAERO CN(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CC[N@H+](C)CC23CCCCC3)c1 ZINC000159172765 859612702 /nfs/dbraw/zinc/61/27/02/859612702.db2.gz OOXZSHAIFUYGJE-UHFFFAOYSA-N 1 0 392.931 3.524 10 0 GHAERO COc1ccccc1CC1CC[NH+](C[C@H](O)COCc2cccs2)CC1 ZINC000102520161 860743239 /nfs/dbraw/zinc/74/32/39/860743239.db2.gz IPWBAODLNQUWDY-IBGZPJMESA-N 1 0 375.534 3.589 10 0 GHAERO C[C@H](c1ccccc1)N1C[C@@H](C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1=O ZINC000177239428 863317670 /nfs/dbraw/zinc/31/76/70/863317670.db2.gz KCOUVIMVLBMZQU-QUCCMNQESA-N 1 0 397.563 3.509 10 0 GHAERO O=C(CC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)Nc1ccc(Br)cc1F ZINC000248201140 864889553 /nfs/dbraw/zinc/88/95/53/864889553.db2.gz YSZJQCWQVULBFJ-SCLBCKFNSA-N 1 0 399.304 3.544 10 0 GHAERO Cc1ccc(C[C@H](NC(=O)N2CCC[N@@H+](C3CC3)CC2)c2ccccn2)cc1 ZINC000172164627 882174233 /nfs/dbraw/zinc/17/42/33/882174233.db2.gz MYAYUVFRMFTOKW-QFIPXVFZSA-N 1 0 378.520 3.554 10 0 GHAERO C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172541522 882294537 /nfs/dbraw/zinc/29/45/37/882294537.db2.gz OUPZPSSDPLCOJM-IBGZPJMESA-N 1 0 377.532 3.775 10 0 GHAERO CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC[C@H](c3nccs3)C2)CC1 ZINC000114777588 870173624 /nfs/dbraw/zinc/17/36/24/870173624.db2.gz UVNWFDFMDYYNRG-KRWDZBQOSA-N 1 0 399.564 3.697 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3ccc(CC(F)(F)F)cc3)CC2)CCO1 ZINC000173653612 882389743 /nfs/dbraw/zinc/38/97/43/882389743.db2.gz HDRDSAVFPLRZKM-AWEZNQCLSA-N 1 0 385.430 3.508 10 0 GHAERO CC(C)c1nn(C)c(Cl)c1CN(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645279 882410581 /nfs/dbraw/zinc/41/05/81/882410581.db2.gz CTHUSQYCZUPBLX-UHFFFAOYSA-N 1 0 389.975 3.731 10 0 GHAERO Cc1cc(NC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)ccc1C(F)(F)F ZINC000174295755 882444793 /nfs/dbraw/zinc/44/47/93/882444793.db2.gz LDNKLNGNNNGUJV-CQSZACIVSA-N 1 0 385.430 3.731 10 0 GHAERO CCOCCOCc1cccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c1C ZINC000174982296 882511273 /nfs/dbraw/zinc/51/12/73/882511273.db2.gz VGESHKFCYRBJQD-UHFFFAOYSA-N 1 0 389.540 3.640 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc2ncsc2c1 ZINC000116484412 873515109 /nfs/dbraw/zinc/51/51/09/873515109.db2.gz JAQQXQHSIBWCCX-YOEHRIQHSA-N 1 0 381.505 3.723 10 0 GHAERO Cc1cc2cc(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)ccc2[nH]1 ZINC000116498767 873519631 /nfs/dbraw/zinc/51/96/31/873519631.db2.gz ONQHVGPWPFLIGE-YWZLYKJASA-N 1 0 377.492 3.903 10 0 GHAERO C[C@H]1C[C@@H]([NH2+]Cc2cccnc2-n2cncn2)c2cccc(Br)c21 ZINC000178055102 882861555 /nfs/dbraw/zinc/86/15/55/882861555.db2.gz HPKQHVJABQBABW-BLLLJJGKSA-N 1 0 384.281 3.763 10 0 GHAERO Cc1cc(N2CCC([NH2+]Cc3cccn3Cc3cccs3)CC2)nc(C)n1 ZINC000178615253 882926764 /nfs/dbraw/zinc/92/67/64/882926764.db2.gz VGNJGEXYLLKGEO-UHFFFAOYSA-N 1 0 381.549 3.763 10 0 GHAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)Nc3ccc4c5c(cccc53)CC4)C2)CC1 ZINC000180107470 883020149 /nfs/dbraw/zinc/02/01/49/883020149.db2.gz UENHIRVGEDNXQQ-FQEVSTJZSA-N 1 0 392.547 3.572 10 0 GHAERO O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000179943206 883038918 /nfs/dbraw/zinc/03/89/18/883038918.db2.gz JZXHJVQHLSJMSP-RTBURBONSA-N 1 0 395.906 3.579 10 0 GHAERO CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000180010658 883044808 /nfs/dbraw/zinc/04/48/08/883044808.db2.gz XLSGAXQNVOBHNA-LIRRHRJNSA-N 1 0 397.544 3.819 10 0 GHAERO CSc1ccc(Cl)cc1NC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000180320166 883074960 /nfs/dbraw/zinc/07/49/60/883074960.db2.gz UHPJZDOXDQPNQK-INIZCTEOSA-N 1 0 396.988 3.696 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)CCCc3ccc4ccccc4c3)CC2)CCO1 ZINC000180569825 883081697 /nfs/dbraw/zinc/08/16/97/883081697.db2.gz LYFGAVRMXLMREF-LJQANCHMSA-N 1 0 380.532 3.874 10 0 GHAERO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3sc(N(C)C)nc3-c3ccccc3)[C@H]2C1 ZINC000180817571 883101459 /nfs/dbraw/zinc/10/14/59/883101459.db2.gz SDDBXQPVAWVZIO-FGTMMUONSA-N 1 0 387.549 3.644 10 0 GHAERO CC(C)n1ncc2cc(C[NH+]3CCC(Cc4nccn4C)CC3)c(Cl)nc21 ZINC000121762300 877716030 /nfs/dbraw/zinc/71/60/30/877716030.db2.gz SGTPQGFFOBOKNI-UHFFFAOYSA-N 1 0 386.931 3.854 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(CN2CCCCC2=O)c1 ZINC000182818721 883222104 /nfs/dbraw/zinc/22/21/04/883222104.db2.gz RPMVQYMGMLDFAH-XXBNENTESA-N 1 0 392.547 3.917 10 0 GHAERO COc1ccc(NC(=O)NC2CCN(c3cccc(C)n3)CC2)cc1OC(C)C ZINC000184186926 883326990 /nfs/dbraw/zinc/32/69/90/883326990.db2.gz HZTKLWKEAVGHML-UHFFFAOYSA-N 1 0 398.507 3.976 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+][C@H]2CCN(CCc3ccccc3)C2)c2ccc(F)cc2C1 ZINC000184514319 883351500 /nfs/dbraw/zinc/35/15/00/883351500.db2.gz FDBQVAYLLLBNIP-UPVQGACJSA-N 1 0 395.522 3.526 10 0 GHAERO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000185634163 883569308 /nfs/dbraw/zinc/56/93/08/883569308.db2.gz FHKIYCITNQAUCZ-CXAGYDPISA-N 1 0 394.441 3.827 10 0 GHAERO C[C@H](c1ccccc1)N1CCC([NH2+][C@H]2CCS(=O)(=O)c3ccccc32)CC1 ZINC000186196601 883619021 /nfs/dbraw/zinc/61/90/21/883619021.db2.gz DDUDMCUQLJFJGD-UTKZUKDTSA-N 1 0 384.545 3.720 10 0 GHAERO COc1ccccc1C/C(C)=C/C(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186581147 883665987 /nfs/dbraw/zinc/66/59/87/883665987.db2.gz AQJXDWKFMSHGIK-JCBINSKWSA-N 1 0 393.531 3.750 10 0 GHAERO Cc1cccc2c1OCC[C@@H]2NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000188623008 883867978 /nfs/dbraw/zinc/86/79/78/883867978.db2.gz RPTKQWYIASBINY-FQEVSTJZSA-N 1 0 383.492 3.718 10 0 GHAERO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC3(CCOCC3)c3ccccc32)C1 ZINC000191035878 884148976 /nfs/dbraw/zinc/14/89/76/884148976.db2.gz ZWGFBEQQPCGVHK-LJQANCHMSA-N 1 0 385.552 3.777 10 0 GHAERO Cc1cccc(CSCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000116251428 886358091 /nfs/dbraw/zinc/35/80/91/886358091.db2.gz LENADAWMGFEWLA-GHTZIAJQSA-N 1 0 383.561 3.650 10 0 GHAERO CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1OCC ZINC000116244135 886358948 /nfs/dbraw/zinc/35/89/48/886358948.db2.gz ZTGJFSTWBYIEFH-FXAWDEMLSA-N 1 0 397.519 3.519 10 0 GHAERO COCCOc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1 ZINC000126162789 886939057 /nfs/dbraw/zinc/93/90/57/886939057.db2.gz KEORKOMDPQBHSE-YDHSSHFGSA-N 1 0 383.536 3.668 10 0 GHAERO Cc1cccc(N2CCC([NH2+][C@H](C)c3ccc(N4CCOC4=O)cc3)CC2)n1 ZINC000128095908 887145741 /nfs/dbraw/zinc/14/57/41/887145741.db2.gz JCSFFRMLBJTRJN-QGZVFWFLSA-N 1 0 380.492 3.666 10 0 GHAERO CCCN(CCc1ccccn1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000105149934 887718871 /nfs/dbraw/zinc/71/88/71/887718871.db2.gz HYKJJGVOERMYJV-QFIPXVFZSA-N 1 0 380.536 3.710 10 0 GHAERO Cc1c(NC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)cccc1C(F)(F)F ZINC000135204944 887956819 /nfs/dbraw/zinc/95/68/19/887956819.db2.gz JQKJCHRKOSBBSM-CYBMUJFWSA-N 1 0 385.430 3.731 10 0 GHAERO c1ncn(C2CC[NH+](Cc3cn(-c4ccccc4)nc3-c3ccccc3)CC2)n1 ZINC000195130955 888647526 /nfs/dbraw/zinc/64/75/26/888647526.db2.gz GDMXRWNRTWEBOV-UHFFFAOYSA-N 1 0 384.487 3.968 10 0 GHAERO CSCc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ccc1F ZINC000245409920 888747567 /nfs/dbraw/zinc/74/75/67/888747567.db2.gz OOTPFCFHOAUKRL-MGPUTAFESA-N 1 0 387.524 3.724 10 0 GHAERO O=C1CC[C@@H]2C[N@H+](C[C@@H](O)c3ccc(Cl)cc3Cl)CC[C@@H]2N1C1CC1 ZINC000245763758 889667693 /nfs/dbraw/zinc/66/76/93/889667693.db2.gz IYPZSQXYVZCMIT-OCBCSQNSSA-N 1 0 383.319 3.502 10 0 GHAERO C[C@H](c1ccncc1)N1CCC([NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000245856283 889870782 /nfs/dbraw/zinc/87/07/82/889870782.db2.gz HKZOTDFREDPASC-LSTHTHJFSA-N 1 0 388.556 3.642 10 0 GHAERO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc([C@H](C)O)cc1 ZINC000246155104 890558321 /nfs/dbraw/zinc/55/83/21/890558321.db2.gz KLQIARADNOSGPJ-UGKGYDQZSA-N 1 0 395.547 3.794 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@H]3C[C@@H]3c3ccc4ccccc4c3)CC2)CCO1 ZINC000246251689 890846243 /nfs/dbraw/zinc/84/62/43/890846243.db2.gz LTZVOGCGFSLORE-ZQMYSKGWSA-N 1 0 378.516 3.655 10 0 GHAERO CC[C@@H](NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1)c1cccs1 ZINC000066187249 890912108 /nfs/dbraw/zinc/91/21/08/890912108.db2.gz AWWZIZHAWLRFAL-LJQANCHMSA-N 1 0 386.565 3.943 10 0 GHAERO CN1CC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)[C@H]1c1ccccc1 ZINC000246589537 891290612 /nfs/dbraw/zinc/29/06/12/891290612.db2.gz ZHCWXKFYXGNUSM-FCHUYYIVSA-N 1 0 397.950 3.980 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc(Cl)cc1F ZINC000246835447 891313397 /nfs/dbraw/zinc/31/33/97/891313397.db2.gz CTMSMDUKGRDGJB-CXAGYDPISA-N 1 0 376.863 3.906 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N1CC2(CC2)c2ccccc21 ZINC000246911829 891324110 /nfs/dbraw/zinc/32/41/10/891324110.db2.gz MDKCLDUMKGCCJS-YLJYHZDGSA-N 1 0 376.504 3.553 10 0 GHAERO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000246976772 891327246 /nfs/dbraw/zinc/32/72/46/891327246.db2.gz GZVDVWVWGKAETK-CVEARBPZSA-N 1 0 398.469 3.596 10 0 GHAERO COc1cc([C@H](C)[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)ccc1S(C)(=O)=O ZINC000246990640 891329007 /nfs/dbraw/zinc/32/90/07/891329007.db2.gz KTUBBFOYPCWQIL-RRMPHLOHSA-N 1 0 389.517 3.670 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(OCC2CC2)cc1 ZINC000247074019 891341575 /nfs/dbraw/zinc/34/15/75/891341575.db2.gz CKVZLAARVQCCEV-VGOFRKELSA-N 1 0 379.504 3.511 10 0 GHAERO Cc1nc2cc(NC(=O)N[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)ccc2o1 ZINC000246926719 891345666 /nfs/dbraw/zinc/34/56/66/891345666.db2.gz IEYQHIVXCJJEEQ-RDTXWAMCSA-N 1 0 379.464 3.563 10 0 GHAERO Cc1ccccc1NC(=O)Cc1nc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cs1 ZINC000247312523 891364821 /nfs/dbraw/zinc/36/48/21/891364821.db2.gz VOLRWJNRNIAFPK-PXNSSMCTSA-N 1 0 398.576 3.549 10 0 GHAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)CCc3ncc(-c4ccccc4Cl)o3)CC[C@H]21 ZINC000247950726 891402758 /nfs/dbraw/zinc/40/27/58/891402758.db2.gz DZOXGNOTJUTBJQ-CRAIPNDOSA-N 1 0 387.911 3.870 10 0 GHAERO C[N@@H+]1CC[C@H](NC(=O)c2cc(Br)cnc2Cl)[C@H]1c1ccccc1 ZINC000248033189 891405642 /nfs/dbraw/zinc/40/56/42/891405642.db2.gz KPOZOCKLWMEAKE-LSDHHAIUSA-N 1 0 394.700 3.673 10 0 GHAERO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(COCc4ccco4)c3)CC[C@H]21 ZINC000248163770 891414555 /nfs/dbraw/zinc/41/45/55/891414555.db2.gz SOWQLLHPNUWFOY-GHTZIAJQSA-N 1 0 383.492 3.944 10 0 GHAERO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000248372673 891420597 /nfs/dbraw/zinc/42/05/97/891420597.db2.gz BQTJPLCODVJYHI-HLNSBACISA-N 1 0 382.426 3.970 10 0 GHAERO Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248447173 891438021 /nfs/dbraw/zinc/43/80/21/891438021.db2.gz GNTKDYZIWKKKIC-NDXORKPFSA-N 1 0 380.536 3.643 10 0 GHAERO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3c(F)cc(F)cc3Br)CC[C@H]21 ZINC000248702162 891459899 /nfs/dbraw/zinc/45/98/99/891459899.db2.gz FPVYAAXXNCNQAH-IINYFYTJSA-N 1 0 388.256 3.675 10 0 GHAERO CCCc1c(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000248734793 891463254 /nfs/dbraw/zinc/46/32/54/891463254.db2.gz BUCWHAVXNNGQDJ-YJBOKZPZSA-N 1 0 387.503 3.910 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+][C@H]2CN(Cc3ccccc3)C[C@H]2C)c2ccc(F)cc2C1 ZINC000248775768 891468060 /nfs/dbraw/zinc/46/80/60/891468060.db2.gz ZASKTMWAADCBAC-CQLNOVPUSA-N 1 0 395.522 3.729 10 0 GHAERO C[NH+](C)Cc1cccc(CNC(=O)NCCc2coc(-c3ccc(F)cc3)n2)c1 ZINC000102555597 898014612 /nfs/dbraw/zinc/01/46/12/898014612.db2.gz NVNMOCNLCMNJDB-UHFFFAOYSA-N 1 0 396.466 3.584 10 0 GHAERO O=C(Nc1ccc(Br)c(C2CC2)n1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333318224 902003130 /nfs/dbraw/zinc/00/31/30/902003130.db2.gz MNZWIDVSLHOVPM-HNNXBMFYSA-N 1 0 393.329 3.717 10 0 GHAERO O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333347242 902025479 /nfs/dbraw/zinc/02/54/79/902025479.db2.gz QVLQNWMJDZGLAY-NRFANRHFSA-N 1 0 393.535 3.882 10 0 GHAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000333736995 902301791 /nfs/dbraw/zinc/30/17/91/902301791.db2.gz XAGTWXRJQRKWEY-YOEHRIQHSA-N 1 0 375.904 3.595 10 0 GHAERO COc1cccc([C@H](CNC(=O)N2CCC[C@H]2c2csc(C)n2)[NH+](C)C)c1 ZINC000189971747 908394453 /nfs/dbraw/zinc/39/44/53/908394453.db2.gz CKDAOZJFMFQWDK-OALUTQOASA-N 1 0 388.537 3.610 10 0 GHAERO C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ncc(C(=O)[O-])s1 ZINC000703532008 977168813 /nfs/dbraw/zinc/16/88/13/977168813.db2.gz RVAMSOZMCYQEJG-RDJZCZTQSA-N 1 0 385.533 3.794 10 0 GHAERO COc1ccccc1CCN1C(=O)CC[C@@H]2C[N@@H+](Cc3ccsc3)CC[C@@H]21 ZINC000014968364 210136577 /nfs/dbraw/zinc/13/65/77/210136577.db2.gz GFRUMHVNSLADTN-UXHICEINSA-N 1 0 384.545 3.812 10 0 GHAERO Cc1ccsc1C(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000012752393 210001438 /nfs/dbraw/zinc/00/14/38/210001438.db2.gz IUXYBJIIJUGMLW-KRWDZBQOSA-N 1 0 383.517 3.681 10 0 GHAERO CCN1CCC[C@@H](C[N@H+](C)Cc2cccc3cnccc32)[C@@H]1c1cnn(C)c1 ZINC000328624833 209149163 /nfs/dbraw/zinc/14/91/63/209149163.db2.gz CQKXUCIRNJGPJE-NZQKXSOJSA-N 1 0 377.536 3.873 10 0 GHAERO C[N@@H+](Cc1ccc(Br)nc1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095075493 211216019 /nfs/dbraw/zinc/21/60/19/211216019.db2.gz RGKUPKMIBDRUNL-CQSZACIVSA-N 1 0 384.318 3.533 10 0 GHAERO CCn1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)c2ccccc21 ZINC000020935230 210370301 /nfs/dbraw/zinc/37/03/01/210370301.db2.gz YIRZJZODLKDFNE-UHFFFAOYSA-N 1 0 378.505 3.519 10 0 GHAERO Clc1nc(NCCC[NH+]2CCCC2)nc2c1CN(Cc1ccccc1)CC2 ZINC000057345918 527005006 /nfs/dbraw/zinc/00/50/06/527005006.db2.gz KWURLAAMTQFOIJ-UHFFFAOYSA-N 1 0 385.943 3.586 10 0 GHAERO O=C1Nc2ccccc2CN1C1CC[NH+](C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000033876510 527090179 /nfs/dbraw/zinc/09/01/79/527090179.db2.gz ORFSHJLTINQEGN-FQEVSTJZSA-N 1 0 385.895 3.886 10 0 GHAERO FC(F)(F)c1ccc(-c2nc(-c3ccccn3)cc(N3CC[NH2+]CC3)n2)cc1 ZINC000073662831 527681401 /nfs/dbraw/zinc/68/14/01/527681401.db2.gz ZHPLBAZMZWGLGQ-UHFFFAOYSA-N 1 0 385.393 3.634 10 0 GHAERO CCOC1(c2nc([C@H]3CCCO3)no2)CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000583615903 570801004 /nfs/dbraw/zinc/80/10/04/570801004.db2.gz MLPQGJBURIJKQJ-LJQANCHMSA-N 1 0 396.491 3.930 10 0 GHAERO C[C@]12CCC[N@@H+]1C[C@H](c1noc(-c3cc(F)cc(Br)c3)n1)OC2 ZINC000329619552 835436049 /nfs/dbraw/zinc/43/60/49/835436049.db2.gz TYLBXVVDGHMBDY-CZUORRHYSA-N 1 0 382.233 3.564 10 0 GHAERO CCOc1ccc(C(=O)N2CCC([NH2+]CC3=Cc4ccccc4OC3)CC2)cc1 ZINC000102425174 836917124 /nfs/dbraw/zinc/91/71/24/836917124.db2.gz FBWZFNGLLGKCLF-UHFFFAOYSA-N 1 0 392.499 3.756 10 0 GHAERO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)c12 ZINC000247200123 840635842 /nfs/dbraw/zinc/63/58/42/840635842.db2.gz LOMHDHQWBBMXRL-WBVHZDCISA-N 1 0 397.567 3.927 10 0 GHAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000106207520 840760583 /nfs/dbraw/zinc/76/05/83/840760583.db2.gz RNKLRUYAVVYXFJ-JXFKEZNVSA-N 1 0 377.492 3.749 10 0 GHAERO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCOc3ccccc32)[C@H]1c1cccs1 ZINC000332889615 844610047 /nfs/dbraw/zinc/61/00/47/844610047.db2.gz CLVKOUKIRHUUAV-SYNHAJSKSA-N 1 0 385.533 3.954 10 0 GHAERO CCc1nccn1[C@@H]1CCCN(C(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)C1 ZINC000153298007 842865112 /nfs/dbraw/zinc/86/51/12/842865112.db2.gz QTDIIEWWCLYVLG-LMMKCTJWSA-N 1 0 376.545 3.633 10 0 GHAERO O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105015904 845928095 /nfs/dbraw/zinc/92/80/95/845928095.db2.gz ZQEARXKTGJTUKI-MRXNPFEDSA-N 1 0 393.413 3.593 10 0 GHAERO CC(C)c1nn(C)c2sc(-c3nc([C@@H]4C[N@@H+]5CCC[C@@]5(C)CO4)no3)cc12 ZINC000329569979 861674680 /nfs/dbraw/zinc/67/46/80/861674680.db2.gz INWBRVCDVJLJMH-DJJJIMSYSA-N 1 0 387.509 3.734 10 0 GHAERO C[C@@H]1CCC[N@@H+]1C1CCN(c2ncccc2C(=O)N2CCc3ccccc32)CC1 ZINC000154902879 849402042 /nfs/dbraw/zinc/40/20/42/849402042.db2.gz DCPTZGPUDZVHHZ-GOSISDBHSA-N 1 0 390.531 3.738 10 0 GHAERO CC[N@H+](Cc1ccc(C(=O)NCc2cc(OC)c(O)c(OC)c2)cc1)C(C)C ZINC000101659373 851793052 /nfs/dbraw/zinc/79/30/52/851793052.db2.gz GOPSXRVILAQFDB-UHFFFAOYSA-N 1 0 386.492 3.570 10 0 GHAERO Cc1ccc([C@@H](CNC(=O)Nc2cccc(-c3noc(C)n3)c2)[NH+]2CCCC2)o1 ZINC000101750197 851869572 /nfs/dbraw/zinc/86/95/72/851869572.db2.gz XAVJVLIULALWIZ-GOSISDBHSA-N 1 0 395.463 3.905 10 0 GHAERO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)C1 ZINC000247004104 855450345 /nfs/dbraw/zinc/45/03/45/855450345.db2.gz LUHBEPSWGGEZAK-UCFCWBNQSA-N 1 0 399.579 3.755 10 0 GHAERO CC1CC[NH+]([C@@H](CNC(=O)N2CCC[C@@H]2c2cnn(C)c2)c2ccccc2)CC1 ZINC000171464526 860425818 /nfs/dbraw/zinc/42/58/18/860425818.db2.gz KCXZJXLOFYETCW-YADHBBJMSA-N 1 0 395.551 3.740 10 0 GHAERO CCc1nccn1[C@@H]1CCCN(C(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)C1 ZINC000171820881 860429103 /nfs/dbraw/zinc/42/91/03/860429103.db2.gz QWQONDRGCQKPTE-OAHLLOKOSA-N 1 0 382.508 3.714 10 0 GHAERO Cc1ccc(OCCN(C)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000103185307 863906662 /nfs/dbraw/zinc/90/66/62/863906662.db2.gz HRGRKEMSNHHTKY-QFIPXVFZSA-N 1 0 395.547 3.580 10 0 GHAERO COc1ccccc1CC[N@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000104710891 864587030 /nfs/dbraw/zinc/58/70/30/864587030.db2.gz FKBGIVPMCCMPQI-CQSZACIVSA-N 1 0 376.884 3.859 10 0 GHAERO COC(=O)c1oc([C@H](C)[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cc1C ZINC000091531083 882113404 /nfs/dbraw/zinc/11/34/04/882113404.db2.gz PERNNYIHAYJYTN-INIZCTEOSA-N 1 0 376.497 3.550 10 0 GHAERO Cc1nc(COc2cccc(/C=C/C(=O)N3CC[C@H]([NH+]4CCCC4)C3)c2)cs1 ZINC000171444444 882126783 /nfs/dbraw/zinc/12/67/83/882126783.db2.gz MVKXVZLEMYJZPL-DUIUGDAFSA-N 1 0 397.544 3.740 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc(OC(F)F)cc1 ZINC000172142992 882173052 /nfs/dbraw/zinc/17/30/52/882173052.db2.gz DILDQKHNKIRFEQ-KSSFIOAISA-N 1 0 390.434 3.715 10 0 GHAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)N[C@H](c3ccccc3)C(C)(C)C)C2)CC1 ZINC000091846407 882187101 /nfs/dbraw/zinc/18/71/01/882187101.db2.gz SNAJPBBBHCMFGX-LEWJYISDSA-N 1 0 386.584 3.585 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3ccnc(Oc4ccccc4)c3)CC2)CCO1 ZINC000173255908 882344833 /nfs/dbraw/zinc/34/48/33/882344833.db2.gz HSBNDLIHAMPXPL-KRWDZBQOSA-N 1 0 396.491 3.591 10 0 GHAERO Cc1cn2c(CN(C)C3CC[NH+](CCc4ccccn4)CC3)c(C)nc2s1 ZINC000092645331 882410511 /nfs/dbraw/zinc/41/05/11/882410511.db2.gz RAUDWZGVELAAOE-UHFFFAOYSA-N 1 0 383.565 3.547 10 0 GHAERO O=C(Nc1ccc(OC(F)F)c2ncccc12)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105013989 870608156 /nfs/dbraw/zinc/60/81/56/870608156.db2.gz XUJRGQMSFHRPLB-ZDUSSCGKSA-N 1 0 376.407 3.538 10 0 GHAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)[C@@H]3C[C@@H]3c3ccc4ccccc4c3)C2)CC1 ZINC000175994753 882653729 /nfs/dbraw/zinc/65/37/29/882653729.db2.gz QKDTXRYAZPPNBV-WXFUMESZSA-N 1 0 391.559 3.572 10 0 GHAERO CCOc1ccc2cc(C(=O)N[C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)[nH]c2c1 ZINC000116252216 873372270 /nfs/dbraw/zinc/37/22/70/873372270.db2.gz YMURWZUGDHSWSG-JXFKEZNVSA-N 1 0 392.503 3.602 10 0 GHAERO CC(C)Cn1cc(C(F)F)c(C(=O)NC2CC[NH+](CC3CCCC3)CC2)n1 ZINC000179415308 882970363 /nfs/dbraw/zinc/97/03/63/882970363.db2.gz FHUGKRPSHXYIAE-UHFFFAOYSA-N 1 0 382.499 3.861 10 0 GHAERO COCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(Br)c(C)c1 ZINC000180774781 883097991 /nfs/dbraw/zinc/09/79/91/883097991.db2.gz YWJHZAQWDQBOAY-SWLSCSKDSA-N 1 0 379.302 3.681 10 0 GHAERO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3c(Cl)n(C)nc3-c3ccccc3)C2)n1 ZINC000122018152 878227621 /nfs/dbraw/zinc/22/76/21/878227621.db2.gz SDXVNXCQXXQEKN-QGZVFWFLSA-N 1 0 398.942 3.861 10 0 GHAERO CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000183646037 883293179 /nfs/dbraw/zinc/29/31/79/883293179.db2.gz PYTWWYOHWOWKAY-KRWDZBQOSA-N 1 0 375.476 3.558 10 0 GHAERO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000184534474 883354661 /nfs/dbraw/zinc/35/46/61/883354661.db2.gz AMPYXQSGJGUVEH-FPTDNZKUSA-N 1 0 383.467 3.928 10 0 GHAERO CC[NH+]1CCN(c2cccc(NC(=O)N3CCC[C@H](c4nccs4)C3)c2)CC1 ZINC000184885942 883388820 /nfs/dbraw/zinc/38/88/20/883388820.db2.gz WIBPGHLAVGIEHI-KRWDZBQOSA-N 1 0 399.564 3.697 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2C)c2ccc(F)cc2C1 ZINC000185361239 883440918 /nfs/dbraw/zinc/44/09/18/883440918.db2.gz DTHBKBUCSBAOKQ-QHCPKHFHSA-N 1 0 392.478 3.903 10 0 GHAERO O=C(CC[NH+]1CCC(C(=O)N2CCCCCC2)CC1)c1ccc(F)cc1F ZINC000186507554 883659972 /nfs/dbraw/zinc/65/99/72/883659972.db2.gz RXKZJOOJBIYAQA-UHFFFAOYSA-N 1 0 378.463 3.652 10 0 GHAERO C[C@@H]1CCCN(C(=O)C2CC[NH+](CCC(=O)c3ccc(F)cc3F)CC2)C1 ZINC000186679187 883685937 /nfs/dbraw/zinc/68/59/37/883685937.db2.gz CLEKEZVFINXBST-OAHLLOKOSA-N 1 0 378.463 3.508 10 0 GHAERO Cc1cccc2nc(C3CCN(C(=O)NCCCC[NH+]4CCCC4)CC3)oc21 ZINC000187411304 883788586 /nfs/dbraw/zinc/78/85/86/883788586.db2.gz CHCLYQOIAQOBLL-UHFFFAOYSA-N 1 0 384.524 3.901 10 0 GHAERO C[C@@H](NC(=O)c1cccc2ncccc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000102609417 883875381 /nfs/dbraw/zinc/87/53/81/883875381.db2.gz GKDIRCIUEDNFTG-MRXNPFEDSA-N 1 0 392.478 3.617 10 0 GHAERO CCOc1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)cc1Br ZINC000189500841 883948156 /nfs/dbraw/zinc/94/81/56/883948156.db2.gz CFNPFIIDLXKDFW-UHFFFAOYSA-N 1 0 396.329 3.940 10 0 GHAERO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000191034979 884148598 /nfs/dbraw/zinc/14/85/98/884148598.db2.gz BAACGALEMWATQW-IBGZPJMESA-N 1 0 385.552 3.919 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)N[C@@H](c3ccc(F)cc3)C3CCC3)CC2)CCO1 ZINC000105250200 886013335 /nfs/dbraw/zinc/01/33/35/886013335.db2.gz MNZQNTIOQYASCA-HRAATJIYSA-N 1 0 389.515 3.562 10 0 GHAERO CC(C)(C)[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)c1cccs1 ZINC000112213684 886253111 /nfs/dbraw/zinc/25/31/11/886253111.db2.gz JVWNPKGWWXTKKF-SJLPKXTDSA-N 1 0 379.570 3.589 10 0 GHAERO Cc1cnn([C@H]2CCCN(C(=O)NC3CC[NH+]([C@H](C)c4ccccc4)CC3)C2)c1 ZINC000116561551 886365012 /nfs/dbraw/zinc/36/50/12/886365012.db2.gz HFYNGEDMGBGOGV-KNQAVFIVSA-N 1 0 395.551 3.764 10 0 GHAERO C[C@@H](c1ccccc1F)N(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000116569455 886368027 /nfs/dbraw/zinc/36/80/27/886368027.db2.gz UXQDLRBQYSMDGA-WWMYMODYSA-N 1 0 384.499 3.834 10 0 GHAERO CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000124442678 886750473 /nfs/dbraw/zinc/75/04/73/886750473.db2.gz CQXPWXQRICMDQU-UHFFFAOYSA-N 1 0 384.446 3.864 10 0 GHAERO C[C@H](Sc1nc2ccccc2s1)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000130383240 887425615 /nfs/dbraw/zinc/42/56/15/887425615.db2.gz CMMNYFLTVSQAEX-AWEZNQCLSA-N 1 0 375.563 3.864 10 0 GHAERO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000134144814 887838631 /nfs/dbraw/zinc/83/86/31/887838631.db2.gz NABBMAGMMBEEER-OAHLLOKOSA-N 1 0 379.342 3.715 10 0 GHAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)[C@@H](C)C1 ZINC000245428850 888750441 /nfs/dbraw/zinc/75/04/41/888750441.db2.gz MUMZFSLZIUSFGR-WMLDXEAASA-N 1 0 390.915 3.511 10 0 GHAERO CCn1cnnc1-c1cccc(N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000245558968 888940902 /nfs/dbraw/zinc/94/09/02/888940902.db2.gz HPIODDJDLQSTDC-DYESRHJHSA-N 1 0 376.508 3.683 10 0 GHAERO CCc1nn(C)c(Cl)c1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245682019 889215222 /nfs/dbraw/zinc/21/52/22/889215222.db2.gz PGWGSEKRMMENRD-DOTOQJQBSA-N 1 0 388.943 3.761 10 0 GHAERO CN(Cc1cscn1)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245713434 889399487 /nfs/dbraw/zinc/39/94/87/889399487.db2.gz PQRHJQCGDOJTDB-SUMWQHHRSA-N 1 0 396.919 3.770 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000246285079 890941409 /nfs/dbraw/zinc/94/14/09/890941409.db2.gz ADVUZFGGEUIWBC-HNAYVOBHSA-N 1 0 394.450 3.516 10 0 GHAERO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc(Cl)s1 ZINC000246407901 891230429 /nfs/dbraw/zinc/23/04/29/891230429.db2.gz RCEGUCKMRUPYIS-IJEWVQPXSA-N 1 0 377.941 3.927 10 0 GHAERO O=C(NCc1ccco1)c1cccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000246571539 891287337 /nfs/dbraw/zinc/28/73/37/891287337.db2.gz LDIGLPDGUVSHNC-TZIWHRDSSA-N 1 0 394.471 3.891 10 0 GHAERO O=C(CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccccc1C(F)(F)F ZINC000246839370 891314465 /nfs/dbraw/zinc/31/44/65/891314465.db2.gz OPHFPHQPWRIXNY-KBXCAEBGSA-N 1 0 381.442 3.593 10 0 GHAERO COc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1-c1ccccn1 ZINC000246871794 891318720 /nfs/dbraw/zinc/31/87/20/891318720.db2.gz QYEOLRVJNWNNAV-MOPGFXCFSA-N 1 0 379.504 3.845 10 0 GHAERO Cc1nn(C(F)F)c(C)c1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247011788 891332354 /nfs/dbraw/zinc/33/23/54/891332354.db2.gz LPGSAUYOCOHVNQ-KSSFIOAISA-N 1 0 390.478 3.607 10 0 GHAERO C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000247104754 891345383 /nfs/dbraw/zinc/34/53/83/891345383.db2.gz FIVRUBZSCUYAIS-TWOQFEAHSA-N 1 0 387.911 3.529 10 0 GHAERO CSc1ccc(O[C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000247106325 891345787 /nfs/dbraw/zinc/34/57/87/891345787.db2.gz VLNVSQCKJKPMHF-CSODHUTKSA-N 1 0 399.560 3.598 10 0 GHAERO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(C(=O)NC4CCCCC4)cc3)CC[C@H]21 ZINC000248149617 891412862 /nfs/dbraw/zinc/41/28/62/891412862.db2.gz QQOHSCDWQREVNC-GHTZIAJQSA-N 1 0 398.551 3.697 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1scnc1C1CCCC1 ZINC000248426348 891434137 /nfs/dbraw/zinc/43/41/37/891434137.db2.gz KTYMMHLDMQMRRC-MAUKXSAKSA-N 1 0 384.549 3.836 10 0 GHAERO Cc1n[nH]c(C)c1[C@H](C)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248460625 891437949 /nfs/dbraw/zinc/43/79/49/891437949.db2.gz SVMAYPBQDFAKFA-CQOVVYFZSA-N 1 0 392.906 3.732 10 0 GHAERO Cc1c(-c2cc(C[N@@H+]3CCCCC[C@@H]3C[C@@H](O)c3ccco3)on2)cnn1C ZINC000248636174 891448584 /nfs/dbraw/zinc/44/85/84/891448584.db2.gz VNSDSIZHLGNMNP-OXQOHEQNSA-N 1 0 384.480 3.845 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c2ccc(F)cc2C1 ZINC000248738118 891454638 /nfs/dbraw/zinc/45/46/38/891454638.db2.gz QIIUWNBYXWXFES-VKUOHJHSSA-N 1 0 388.508 3.707 10 0 GHAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3c(F)cc(F)cc3Br)CC[C@H]21 ZINC000248702164 891460211 /nfs/dbraw/zinc/46/02/11/891460211.db2.gz FPVYAAXXNCNQAH-QMTHXVAHSA-N 1 0 388.256 3.675 10 0 GHAERO C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)o1 ZINC000249077464 891492445 /nfs/dbraw/zinc/49/24/45/891492445.db2.gz BOUCWCDDAVCOII-KJGOSVGUSA-N 1 0 379.504 3.982 10 0 GHAERO O=C(Nc1cccc(NC(=O)N2CCC3(CC[NH2+]C3)CC2)c1)C1CCCCC1 ZINC000333116744 899973758 /nfs/dbraw/zinc/97/37/58/899973758.db2.gz HMQSJAAAKMOMLK-UHFFFAOYSA-N 1 0 384.524 3.813 10 0 GHAERO CC(C)(C)[C@H]1CCc2nc(NC(=O)N3CCC4(CC[NH2+]C4)CC3)sc2C1 ZINC000333264096 901952670 /nfs/dbraw/zinc/95/26/70/901952670.db2.gz FGSPBPCQNBQQDT-AWEZNQCLSA-N 1 0 376.570 3.902 10 0 GHAERO CN(C(=O)Nc1nc2c(cccc2Br)s1)[C@H]1CCC[NH2+]CC1 ZINC000333320501 902005812 /nfs/dbraw/zinc/00/58/12/902005812.db2.gz MYNMOERTJRHYEL-JTQLQIEISA-N 1 0 383.315 3.665 10 0 GHAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000333736992 902301937 /nfs/dbraw/zinc/30/19/37/902301937.db2.gz XAGTWXRJQRKWEY-PBHICJAKSA-N 1 0 375.904 3.595 10 0 GHAERO Cc1cc(Br)c(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)s1 ZINC000333760339 902315214 /nfs/dbraw/zinc/31/52/14/902315214.db2.gz COCJUKOQGSISLU-XHDPSFHLSA-N 1 0 384.299 3.795 10 0 GHAERO OCC[NH2+]Cc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000013730628 210086653 /nfs/dbraw/zinc/08/66/53/210086653.db2.gz XSCWMTFODDSUHF-UHFFFAOYSA-N 1 0 375.060 3.554 10 0 GHAERO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC[n+]1ccccc1 ZINC000002557703 209369402 /nfs/dbraw/zinc/36/94/02/209369402.db2.gz YYRBCDGAYFJFNQ-UHFFFAOYSA-O 1 0 377.251 3.674 10 0 GHAERO CCn1cnc2c1nc(N[C@@H]1CCCC[C@H]1[NH3+])nc2Nc1cccc(Cl)c1 ZINC000007996879 209172790 /nfs/dbraw/zinc/17/27/90/209172790.db2.gz UTBSBSOBZHXMHI-HUUCEWRRSA-N 1 0 385.903 3.925 10 0 in-vitro GHAERO C[C@H]([NH3+])COc1c(Br)cc(Br)cc1Br ZINC000020518888 210343530 /nfs/dbraw/zinc/34/35/30/210343530.db2.gz DYAKWFPJKHBAHT-YFKPBYRVSA-N 1 0 387.897 3.700 10 0 GHAERO COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3cccnc3)C2)c(C)c1C ZINC000011912598 570592112 /nfs/dbraw/zinc/59/21/12/570592112.db2.gz AUGUMXSMJRVRCB-YADHBBJMSA-N 1 0 393.531 3.720 10 0 GHAERO Cc1ccc(-c2cc3n(n2)[C@@H]([NH2+]CCc2ccc(Cl)cc2)CNC3=O)c(C)c1 ZINC000252478641 570966637 /nfs/dbraw/zinc/96/66/37/570966637.db2.gz AQXGRWVHEKTMSK-OAQYLSRUSA-N 1 0 394.906 3.895 10 0 GHAERO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000156516369 834422087 /nfs/dbraw/zinc/42/20/87/834422087.db2.gz POHMVEJAHWRSPX-SFHVURJKSA-N 1 0 396.453 3.788 10 0 GHAERO COCc1c(Br)cccc1NC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000186876138 834788992 /nfs/dbraw/zinc/78/89/92/834788992.db2.gz KXBQQZDISCVJJM-CQSZACIVSA-N 1 0 398.345 3.982 10 0 GHAERO c1c2c(sc1-c1nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no1)-c1ccccc1OC2 ZINC000329547667 835212437 /nfs/dbraw/zinc/21/24/37/835212437.db2.gz BACPDTUCRUZJCH-BBRMVZONSA-N 1 0 381.457 3.893 10 0 GHAERO Cc1noc2nc(-c3ccccc3)cc(C(=O)N3C[C@H]4CCCC[N@H+]4C[C@H]3C)c12 ZINC000329642873 835519544 /nfs/dbraw/zinc/51/95/44/835519544.db2.gz IQVKFIURNRVXBE-CRAIPNDOSA-N 1 0 390.487 3.897 10 0 GHAERO O[C@@]12CCCC[C@H]1C[N@H+](Cc1nc(-c3cccc(Br)c3)c[nH]1)CC2 ZINC000245803193 844087939 /nfs/dbraw/zinc/08/79/39/844087939.db2.gz YDAUWMQEOOCMEY-HNAYVOBHSA-N 1 0 390.325 3.966 10 0 GHAERO C[C@H](c1nnc(-c2cccs2)o1)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000328742744 839722435 /nfs/dbraw/zinc/72/24/35/839722435.db2.gz JRIWUMQQCMVLJF-OWCLPIDISA-N 1 0 390.553 3.680 10 0 GHAERO Cc1noc2nc(-c3ccccc3)cc(C(=O)N3C[C@@H]4CCC[N@H+]4C[C@H]3C)c12 ZINC000408155000 842507849 /nfs/dbraw/zinc/50/78/49/842507849.db2.gz SCYFIGUKMWKCIF-PBHICJAKSA-N 1 0 376.460 3.507 10 0 GHAERO O=C(CC[N@@H+]1CCCN(C(=O)c2cccs2)CC1)Nc1ccccc1Cl ZINC000112351911 843352939 /nfs/dbraw/zinc/35/29/39/843352939.db2.gz LXTNHUGWAWXMOL-UHFFFAOYSA-N 1 0 391.924 3.578 10 0 GHAERO Cn1nc(C(F)F)c2cc(-c3nc([C@@H]4C[N@@H+]5CCC[C@@]5(C)CO4)no3)sc21 ZINC000329646452 861896558 /nfs/dbraw/zinc/89/65/58/861896558.db2.gz BBQXAGWSSLABTR-BTDLBPIBSA-N 1 0 395.435 3.548 10 0 GHAERO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cccc(Br)c3F)n1)OC2 ZINC000329668066 861977123 /nfs/dbraw/zinc/97/71/23/861977123.db2.gz LQSPTMHWDXOFDT-BLLLJJGKSA-N 1 0 382.233 3.564 10 0 GHAERO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000101516009 851632453 /nfs/dbraw/zinc/63/24/53/851632453.db2.gz AZQIZCBBENLFAE-MRXNPFEDSA-N 1 0 395.425 3.964 10 0 GHAERO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000328859553 854582311 /nfs/dbraw/zinc/58/23/11/854582311.db2.gz YNHNFKNDVAXBDE-IXSAPAIESA-N 1 0 387.564 3.703 10 0 GHAERO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000328859551 854582462 /nfs/dbraw/zinc/58/24/62/854582462.db2.gz YNHNFKNDVAXBDE-DTMNMGFMSA-N 1 0 387.564 3.703 10 0 GHAERO CC(C)c1cc(C(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c(O)c(C(C)C)c1 ZINC000125313797 854702289 /nfs/dbraw/zinc/70/22/89/854702289.db2.gz VJVWEASUIZKFPI-KRWDZBQOSA-N 1 0 388.552 3.964 10 0 GHAERO C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(-c3ccc(F)cc3)c2)[C@H](C)C1 ZINC000330153082 862619210 /nfs/dbraw/zinc/61/92/10/862619210.db2.gz WZUJKUREMAFBMI-WBQUZEAOSA-N 1 0 398.526 3.945 10 0 GHAERO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)cc2)C1 ZINC000247098322 855851821 /nfs/dbraw/zinc/85/18/21/855851821.db2.gz SCVGYQJGANRMNQ-WNOPAQSVSA-N 1 0 399.579 3.755 10 0 GHAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H]1CCCc3ncc(C(F)(F)F)cc31)CC2 ZINC000330309127 862823604 /nfs/dbraw/zinc/82/36/04/862823604.db2.gz MRVRRROIHIHSNH-CJNGLKHVSA-N 1 0 379.430 3.797 10 0 GHAERO Cc1ccc([C@@H]2CCCCN2C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)o1 ZINC000156163088 860359368 /nfs/dbraw/zinc/35/93/68/860359368.db2.gz AHCBVTXZUSAVGC-AABGKKOBSA-N 1 0 389.540 3.593 10 0 GHAERO CCO[C@H]1C[C@@H](N(C)Cc2nc3sc(C)c(C)c3c(=O)[nH]2)C12CCCC2 ZINC000089912677 881607115 /nfs/dbraw/zinc/60/71/15/881607115.db2.gz UBNRQSGVLVQCRS-CABCVRRESA-N 1 0 375.538 3.771 10 0 GHAERO C[NH+](C)[C@H](CNC(=O)N[C@@H](c1ccccc1)c1ccncc1)C1CCCCC1 ZINC000103246290 863923410 /nfs/dbraw/zinc/92/34/10/863923410.db2.gz PCSURKVZODWIDS-YADHBBJMSA-N 1 0 380.536 3.981 10 0 GHAERO Cn1ccnc1CC1CC[NH+](Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000171501884 882136340 /nfs/dbraw/zinc/13/63/40/882136340.db2.gz YZSMHJDXHBBIDA-UHFFFAOYSA-N 1 0 376.504 3.849 10 0 GHAERO C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000172350545 882185592 /nfs/dbraw/zinc/18/55/92/882185592.db2.gz GZVDVWVWGKAETK-JKSUJKDBSA-N 1 0 398.469 3.596 10 0 GHAERO CCC(CC)[C@H](CNC(=O)C1CCN(C(=O)c2ccccc2)CC1)[NH+]1CCCC1 ZINC000173705976 882394446 /nfs/dbraw/zinc/39/44/46/882394446.db2.gz JCKIDJTVUHPAOD-QFIPXVFZSA-N 1 0 399.579 3.556 10 0 GHAERO CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH+]1CCC(n2cncn2)CC1 ZINC000092647904 882410732 /nfs/dbraw/zinc/41/07/32/882410732.db2.gz ZUEVSFZZKHRATO-UHFFFAOYSA-N 1 0 378.524 3.658 10 0 GHAERO CC(C)(C)c1noc(-c2ccccc2C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000108815912 870645843 /nfs/dbraw/zinc/64/58/43/870645843.db2.gz SRAOPWYNNDDVNR-HNNXBMFYSA-N 1 0 382.508 3.781 10 0 GHAERO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cc2ccccc2o1 ZINC000176408668 882691847 /nfs/dbraw/zinc/69/18/47/882691847.db2.gz CNIVDKKWUOYOSR-ZWOKBUDYSA-N 1 0 377.488 3.958 10 0 GHAERO Cc1cccc(OCCCC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000116245343 873366112 /nfs/dbraw/zinc/36/61/12/873366112.db2.gz YBXZGXJAVXHZIC-UGKGYDQZSA-N 1 0 381.520 3.576 10 0 GHAERO Cc1cccc(N2CCC(NC(=O)N[C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)n1 ZINC000116938782 873794800 /nfs/dbraw/zinc/79/48/00/873794800.db2.gz DVUJCUGJFAEZSL-ZBFHGGJFSA-N 1 0 384.446 3.779 10 0 GHAERO COc1ccc([C@@H]2CCN(C(=O)NC3CCN(c4cccc(C)n4)CC3)C2)cc1 ZINC000116970302 873800389 /nfs/dbraw/zinc/80/03/89/873800389.db2.gz PERPZICEHGHOPD-LJQANCHMSA-N 1 0 394.519 3.567 10 0 GHAERO c1ncn(-c2ncccc2C[NH2+][C@@H]2CC3(CCCCC3)Oc3ccccc32)n1 ZINC000179136121 882973451 /nfs/dbraw/zinc/97/34/51/882973451.db2.gz KMIAYWMHFGERCO-LJQANCHMSA-N 1 0 375.476 3.979 10 0 GHAERO C[C@H]([NH2+]C[C@@H]1CCN(C)c2ccccc21)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000180017472 883046000 /nfs/dbraw/zinc/04/60/00/883046000.db2.gz PVBVWPYSKXHOGB-HOCLYGCPSA-N 1 0 376.497 3.504 10 0 GHAERO CC[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1cc(F)cc(Br)c1 ZINC000181504431 883160487 /nfs/dbraw/zinc/16/04/87/883160487.db2.gz ZEOSWEOCIZYGJY-MRXNPFEDSA-N 1 0 390.260 3.805 10 0 GHAERO Cc1ccc(-c2ccc(C(=O)N3CCCC[C@@H](N4CC[NH+](C)CC4)C3)s2)o1 ZINC000183205823 883273028 /nfs/dbraw/zinc/27/30/28/883273028.db2.gz CNLDXKRQTVQISY-QGZVFWFLSA-N 1 0 387.549 3.559 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C1(Cc2cccc(F)c2)CCC1 ZINC000186428267 883644822 /nfs/dbraw/zinc/64/48/22/883644822.db2.gz ACEPYIJQKZOKKT-GCJKJVERSA-N 1 0 395.522 3.960 10 0 GHAERO CC[N@H+](Cc1ccc(C(=O)N2CCCN(c3ccccn3)CC2)cc1)C(C)C ZINC000186488940 883649421 /nfs/dbraw/zinc/64/94/21/883649421.db2.gz XWKPFKKHFKJXGP-UHFFFAOYSA-N 1 0 380.536 3.664 10 0 GHAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C1 ZINC000186631228 883676808 /nfs/dbraw/zinc/67/68/08/883676808.db2.gz SVYPKFLBHXNQTQ-IYBDPMFKSA-N 1 0 387.528 3.544 10 0 GHAERO Cc1ccc(NC(=O)C2CC[NH+](CCC(=O)c3ccc(F)cc3F)CC2)nc1 ZINC000187209308 883766309 /nfs/dbraw/zinc/76/63/09/883766309.db2.gz QYXDSMUVAKTGHZ-UHFFFAOYSA-N 1 0 387.430 3.592 10 0 GHAERO C[C@@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1ncc(Br)cc1F ZINC000187315828 883768883 /nfs/dbraw/zinc/76/88/83/883768883.db2.gz KPIPPIPTOWLFMA-MFKMUULPSA-N 1 0 378.245 3.760 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C1(Cc2ccccc2F)CC1 ZINC000188420520 883849658 /nfs/dbraw/zinc/84/96/58/883849658.db2.gz XNMXBGJIUZWRJO-UWJYYQICSA-N 1 0 381.495 3.570 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(C)CC1(c2ccccc2)CC1 ZINC000188802874 883878905 /nfs/dbraw/zinc/87/89/05/883878905.db2.gz GKCHMXHNKMVLJG-UGKGYDQZSA-N 1 0 392.547 3.665 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cnc(-c2ccccc2)s1 ZINC000116249684 886358762 /nfs/dbraw/zinc/35/87/62/886358762.db2.gz BOXDJSGRSAESHK-APWZRJJASA-N 1 0 392.528 3.846 10 0 GHAERO CCOCc1cccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000116496100 886363184 /nfs/dbraw/zinc/36/31/84/886363184.db2.gz QMZKUKCENKHMRB-LAUBAEHRSA-N 1 0 382.508 3.650 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCc1ccc(F)c(Cl)c1 ZINC000116542270 886364871 /nfs/dbraw/zinc/36/48/71/886364871.db2.gz UGBVZFXQGPRHSP-KUHUBIRLSA-N 1 0 390.890 3.584 10 0 GHAERO CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000134144196 887838361 /nfs/dbraw/zinc/83/83/61/887838361.db2.gz ZWZSJRVFZOZSGF-UHFFFAOYSA-N 1 0 393.572 3.501 10 0 GHAERO CCN1CCc2nc(NC(=O)c3nn(CC(C)C)cc3C(F)F)sc2C1 ZINC000134469838 887874607 /nfs/dbraw/zinc/87/46/07/887874607.db2.gz ZBBDLYLAWULEPH-UHFFFAOYSA-N 1 0 383.468 3.564 10 0 GHAERO O=C(NC1CCCCC1)c1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000056740337 888375757 /nfs/dbraw/zinc/37/57/57/888375757.db2.gz SKULXOYVEABZJI-UHFFFAOYSA-N 1 0 398.551 3.841 10 0 GHAERO Cc1c(Br)ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c1F ZINC000194216406 888568119 /nfs/dbraw/zinc/56/81/19/888568119.db2.gz LBHRINDEILMSPY-UHFFFAOYSA-N 1 0 384.293 3.989 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(N2CCCCC2)cc1 ZINC000245408105 888747692 /nfs/dbraw/zinc/74/76/92/888747692.db2.gz FPUGWLVRCWSYEB-WMZHIEFXSA-N 1 0 392.547 3.712 10 0 GHAERO CCCCN(C)c1ccc(NC(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000245941467 890050481 /nfs/dbraw/zinc/05/04/81/890050481.db2.gz VECVEHIXXDASIJ-SFHVURJKSA-N 1 0 388.556 3.640 10 0 GHAERO O=C(CN1CCC[C@@H]1C[C@@H](O)c1ccco1)Nc1ccccc1C(F)(F)F ZINC000246666867 891295921 /nfs/dbraw/zinc/29/59/21/891295921.db2.gz QGYFYGNZYLHLFU-CZUORRHYSA-N 1 0 382.382 3.825 10 0 GHAERO O=C(CN1CC[C@H]2OCCC[C@H]2C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000246759265 891304712 /nfs/dbraw/zinc/30/47/12/891304712.db2.gz QADGXVRBPXFQPH-SMDDNHRTSA-N 1 0 376.806 3.798 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc(F)cc1Cl ZINC000246811505 891310760 /nfs/dbraw/zinc/31/07/60/891310760.db2.gz BNYFQSFWMSJQNN-SUMWQHHRSA-N 1 0 376.863 3.906 10 0 GHAERO O=S(=O)(CCCN1CCC[C@@H]1C[C@@H](O)c1cccs1)c1ccccc1 ZINC000247058377 891339800 /nfs/dbraw/zinc/33/98/00/891339800.db2.gz OVWODDZCLRDCJM-SJLPKXTDSA-N 1 0 379.547 3.500 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(F)c(F)cc1Cl ZINC000247078554 891343355 /nfs/dbraw/zinc/34/33/55/891343355.db2.gz CVGQOALNJROYTD-KPZWWZAWSA-N 1 0 379.838 3.654 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000247140207 891347936 /nfs/dbraw/zinc/34/79/36/891347936.db2.gz HPNQAPFSDCGBMV-QQUTXWOLSA-N 1 0 393.531 3.576 10 0 GHAERO C[C@H](c1ccccc1F)N(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247562151 891385702 /nfs/dbraw/zinc/38/57/02/891385702.db2.gz UXQDLRBQYSMDGA-CBGDNZLLSA-N 1 0 384.499 3.834 10 0 GHAERO c1coc(-c2nnc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)o2)c1 ZINC000247923459 891399993 /nfs/dbraw/zinc/39/99/93/891399993.db2.gz BKAKVVNBOFDGSA-RTBURBONSA-N 1 0 378.476 3.816 10 0 GHAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc(NC(=O)c4cccs4)c3)CC[C@H]21 ZINC000248183739 891415874 /nfs/dbraw/zinc/41/58/74/891415874.db2.gz WYLAIUJZXIJSJU-SJLPKXTDSA-N 1 0 383.517 3.557 10 0 GHAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(Br)c(F)cc3F)CC[C@H]21 ZINC000248859668 891475726 /nfs/dbraw/zinc/47/57/26/891475726.db2.gz RSAQQIZACVWQDB-MEBBXXQBSA-N 1 0 388.256 3.675 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000249294940 891513361 /nfs/dbraw/zinc/51/33/61/891513361.db2.gz KEEYVIZLLIVADE-XJKSGUPXSA-N 1 0 393.413 3.528 10 0 GHAERO CC(=O)N(c1nc(CN2CC[NH+](C3CC3)CC2)cs1)c1ccc(C)c(C)c1 ZINC000101907748 897979597 /nfs/dbraw/zinc/97/95/97/897979597.db2.gz RVRUPNUWLOBDPS-UHFFFAOYSA-N 1 0 384.549 3.725 10 0 GHAERO CC1(C)CC(NC(=O)NCCc2coc(-c3ccc(F)cc3)n2)CC(C)(C)[NH2+]1 ZINC000102546134 898014673 /nfs/dbraw/zinc/01/46/73/898014673.db2.gz WRXNYJZTCCYIDA-UHFFFAOYSA-N 1 0 388.487 3.632 10 0 GHAERO Cc1ccc(NC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1C(F)(F)F ZINC000333093691 899953820 /nfs/dbraw/zinc/95/38/20/899953820.db2.gz CUZXRFOJCJZECG-IRXDYDNUSA-N 1 0 385.430 3.764 10 0 GHAERO Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333103199 899963759 /nfs/dbraw/zinc/96/37/59/899963759.db2.gz CPAWVGZHXOAURA-RDJZCZTQSA-N 1 0 385.430 3.764 10 0 GHAERO Cc1c(NC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cccc1C(F)(F)F ZINC000333115595 899973566 /nfs/dbraw/zinc/97/35/66/899973566.db2.gz HGDKZCAUAZIAPL-RDJZCZTQSA-N 1 0 385.430 3.764 10 0 GHAERO O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333158079 900002703 /nfs/dbraw/zinc/00/27/03/900002703.db2.gz NIWJQZQMZXQJOW-OAQYLSRUSA-N 1 0 398.551 3.699 10 0 GHAERO C[C@@H]1CCC[C@H](CCNC(=O)N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)C1 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XPPWFQFAPLRQDC-MSOLQXFVSA-N 1 0 397.475 3.692 10 0 GHAERO C[NH+]1CCN(c2cc(C(=O)N(C3CC3)[C@@H]3CCCc4ccccc43)ccn2)CC1 ZINC000104051914 864165466 /nfs/dbraw/zinc/16/54/66/864165466.db2.gz YCGIRYQYQIFSPS-JOCHJYFZSA-N 1 0 390.531 3.516 10 0 GHAERO Cc1nc(COc2ccc(/C=C/C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)cc2)cs1 ZINC000171444476 882126744 /nfs/dbraw/zinc/12/67/44/882126744.db2.gz AELHGZMNCGINKH-AQDCRGGLSA-N 1 0 397.544 3.740 10 0 GHAERO COc1ccc2sc(C(=O)N3CCC([N@@H+]4CCO[C@@H](C)C4)CC3)c(C)c2c1 ZINC000173625555 882387495 /nfs/dbraw/zinc/38/74/95/882387495.db2.gz ASXWDFCCMXTAQE-AWEZNQCLSA-N 1 0 388.533 3.544 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000116245830 873365839 /nfs/dbraw/zinc/36/58/39/873365839.db2.gz ILODSFXTMZEAEX-DOVSJBTNSA-N 1 0 383.923 3.865 10 0 GHAERO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(Cl)s1 ZINC000176606331 882718701 /nfs/dbraw/zinc/71/87/01/882718701.db2.gz RCEGUCKMRUPYIS-DZKIICNBSA-N 1 0 377.941 3.927 10 0 GHAERO CC(C)[N@H+](C)CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(C(F)(F)F)c1 ZINC000102763329 873568663 /nfs/dbraw/zinc/56/86/63/873568663.db2.gz YZHZJWCLKIUXAG-ZIAGYGMSSA-N 1 0 387.446 3.598 10 0 GHAERO CCc1noc(-c2ccc(C)c(NC(=O)N3CCC([NH+]4CCCC4)CC3)c2)n1 ZINC000177164887 882769917 /nfs/dbraw/zinc/76/99/17/882769917.db2.gz NCEZDORVNBGNRD-UHFFFAOYSA-N 1 0 383.496 3.700 10 0 GHAERO O=C([C@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC=C(c2cccs2)CC1 ZINC000117989709 874287556 /nfs/dbraw/zinc/28/75/56/874287556.db2.gz ZCLZNEQKSTUYSG-NRFANRHFSA-N 1 0 382.529 3.562 10 0 GHAERO O=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000124570429 874759205 /nfs/dbraw/zinc/75/92/05/874759205.db2.gz QSCXOFRQDXOVGU-UPVQGACJSA-N 1 0 399.579 3.899 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(Oc2cnccn2)c1 ZINC000179698252 883020600 /nfs/dbraw/zinc/02/06/00/883020600.db2.gz TXFPPJGNIAALOC-UWJYYQICSA-N 1 0 375.476 3.986 10 0 GHAERO COCCCOc1cccc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000121051938 876461319 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O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CCC(Nc2nccs2)CC1 ZINC000190056847 884046318 /nfs/dbraw/zinc/04/63/18/884046318.db2.gz PBGKKGBVBXFLIV-UHFFFAOYSA-N 1 0 399.564 3.525 10 0 GHAERO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CC2(CCOCC2)c2ccccc21 ZINC000190441694 884081480 /nfs/dbraw/zinc/08/14/80/884081480.db2.gz REFNBNINPUNZFL-FQEVSTJZSA-N 1 0 395.503 3.695 10 0 GHAERO [NH3+]C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CCS2)c1ccc2ccccc2c1 ZINC000193415836 884489433 /nfs/dbraw/zinc/48/94/33/884489433.db2.gz FGFUOGPOUNIPIP-LJQANCHMSA-N 1 0 391.496 3.704 10 0 GHAERO O=C(Cc1coc(-c2ccc(Cl)cc2)n1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000105320115 886014797 /nfs/dbraw/zinc/01/47/97/886014797.db2.gz WSGYIDJIIJULEO-UHFFFAOYSA-N 1 0 387.911 3.872 10 0 GHAERO CC[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(OC)cc1 ZINC000116522785 886364012 /nfs/dbraw/zinc/36/40/12/886364012.db2.gz WQAMGSPDQJNMPO-BULFRSBZSA-N 1 0 396.535 3.751 10 0 GHAERO CCOc1cccc([C@H](C)NC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000116539336 886365605 /nfs/dbraw/zinc/36/56/05/886365605.db2.gz DUJJAOIQMROVSC-NPPFBWRTSA-N 1 0 396.535 3.751 10 0 GHAERO O=C(NCCCC[NH+]1CCOCC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000105134271 886385901 /nfs/dbraw/zinc/38/59/01/886385901.db2.gz JDBCTWYEESYTMB-UHFFFAOYSA-N 1 0 381.520 3.511 10 0 GHAERO CN1CCC([NH+]2CCC(NC(=O)N[C@@H](c3cccs3)C(C)(C)C)CC2)CC1 ZINC000051777872 887782963 /nfs/dbraw/zinc/78/29/63/887782963.db2.gz ISMPQIYONWAVCQ-IBGZPJMESA-N 1 0 392.613 3.693 10 0 GHAERO C[C@@H]1C[C@@H]([NH2+]C[C@H]2COC3(CCOCC3)O2)c2cccc(Br)c21 ZINC000245566388 888968503 /nfs/dbraw/zinc/96/85/03/888968503.db2.gz QWSHFSPLANPHIE-DVOMOZLQSA-N 1 0 382.298 3.509 10 0 GHAERO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000245623860 889084277 /nfs/dbraw/zinc/08/42/77/889084277.db2.gz OKRGZQJIYGFYPN-PERKRYKHSA-N 1 0 391.515 3.642 10 0 GHAERO C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)[C@H]1c1ccccc1 ZINC000245675778 889205143 /nfs/dbraw/zinc/20/51/43/889205143.db2.gz FUWJAUITRWLWKN-RPHTVSPISA-N 1 0 378.520 3.695 10 0 GHAERO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1csc([C@H]2CCCO2)n1 ZINC000245693206 889244630 /nfs/dbraw/zinc/24/46/30/889244630.db2.gz KAXLIIZKNKETSR-WMLDXEAASA-N 1 0 391.562 3.698 10 0 GHAERO COc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1OCc1cccnc1 ZINC000245720355 889444016 /nfs/dbraw/zinc/44/40/16/889444016.db2.gz DGNXUXJSAXUCFM-NHCUHLMSSA-N 1 0 381.520 3.585 10 0 GHAERO CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000246574660 891288129 /nfs/dbraw/zinc/28/81/29/891288129.db2.gz OGOWVDCBSDZLGS-GSEOLPGOSA-N 1 0 390.597 3.608 10 0 GHAERO Cc1oc(-c2ccco2)nc1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247019373 891333360 /nfs/dbraw/zinc/33/33/60/891333360.db2.gz MAZAFEZLOSKDTO-LPHOPBHVSA-N 1 0 393.487 3.955 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000247046999 891338221 /nfs/dbraw/zinc/33/82/21/891338221.db2.gz APQJCUXXIPQCLE-OXQOHEQNSA-N 1 0 383.923 3.793 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c2ccc(F)cc2C1 ZINC000248653211 891451748 /nfs/dbraw/zinc/45/17/48/891451748.db2.gz UOKQXFOCSZQNBK-BSDZUQITSA-N 1 0 395.522 3.872 10 0 GHAERO O=S1(=O)CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c2ccccc21 ZINC000248576431 891465049 /nfs/dbraw/zinc/46/50/49/891465049.db2.gz TZQYYHMZPUBODS-GFSYIJCISA-N 1 0 396.556 3.690 10 0 GHAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)[C@@H](C)C1 ZINC000248875485 891477837 /nfs/dbraw/zinc/47/78/37/891477837.db2.gz CIVYZUNWPRVIGQ-KSSFIOAISA-N 1 0 398.473 3.759 10 0 GHAERO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2cccc(-c3ncn(C)n3)c2)C1 ZINC000249287677 891484766 /nfs/dbraw/zinc/48/47/66/891484766.db2.gz JGTGSJRJSMPGAD-QZTJIDSGSA-N 1 0 396.539 3.600 10 0 GHAERO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccc(OC3COC3)cc2)C1 ZINC000249285205 891484788 /nfs/dbraw/zinc/48/47/88/891484788.db2.gz PBPFXZVWXFHWOC-ZWKOTPCHSA-N 1 0 387.524 3.583 10 0 GHAERO [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)C[C@H]1c1ccccc1 ZINC000261741472 892095655 /nfs/dbraw/zinc/09/56/55/892095655.db2.gz MTLWDZKMNSLVCB-LMCOJAPRSA-N 1 0 399.332 3.754 10 0 GHAERO CCCOc1cc(C)ccc1NC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000079534445 892415853 /nfs/dbraw/zinc/41/58/53/892415853.db2.gz DYCWSEXIFNOMLL-KRWDZBQOSA-N 1 0 375.513 3.501 10 0 GHAERO Cc1c2cc(F)ccc2oc1C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000333089486 899951613 /nfs/dbraw/zinc/95/16/13/899951613.db2.gz ZEYYCEOZADHOFD-MGPUTAFESA-N 1 0 398.482 3.769 10 0 GHAERO Cc1cc(NC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)ccc1C(F)(F)F ZINC000333132811 899988096 /nfs/dbraw/zinc/98/80/96/899988096.db2.gz JUXMZEATQLLGHG-SJORKVTESA-N 1 0 385.430 3.764 10 0 GHAERO Cc1ccc(-n2cc(C[NH2+]CCN3CCOC3=O)c(-c3cccc(C)c3)n2)cc1 ZINC000013596685 210071008 /nfs/dbraw/zinc/07/10/08/210071008.db2.gz GDGUXBRKAQITSV-UHFFFAOYSA-N 1 0 390.487 3.698 10 0 GHAERO N=c1n(CC[NH+]2CCCCC2)c2ccccc2n1CC(=O)c1ccc(Cl)cc1 ZINC000032600301 209192601 /nfs/dbraw/zinc/19/26/01/209192601.db2.gz SXBOEBXUAMELCF-UHFFFAOYSA-N 1 0 396.922 3.944 10 0 GHAERO CCOc1cc(C[NH2+]CCO)cc(Br)c1OCc1ccc(C)cc1 ZINC000020874687 210363971 /nfs/dbraw/zinc/36/39/71/210363971.db2.gz ADLXOECSOCHUQT-UHFFFAOYSA-N 1 0 394.309 3.817 10 0 GHAERO Cc1cccc(C[N@@H+]2CCCN(c3nc(C)c4cc(C)c(C)cc4n3)CC2)n1 ZINC000012167505 221161643 /nfs/dbraw/zinc/16/16/43/221161643.db2.gz FJUNZLBPAPBYBT-UHFFFAOYSA-N 1 0 375.520 3.971 10 0 GHAERO COc1ccc(-c2nc(NC[C@H]3CCC[NH2+]C3)cc(-c3cccnc3)n2)cc1 ZINC000073684839 523222377 /nfs/dbraw/zinc/22/23/77/523222377.db2.gz WCNYLXANUICLML-INIZCTEOSA-N 1 0 375.476 3.626 10 0 GHAERO O=C1Nc2ccccc2CN1C1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000033876512 527090064 /nfs/dbraw/zinc/09/00/64/527090064.db2.gz ORFSHJLTINQEGN-HXUWFJFHSA-N 1 0 385.895 3.886 10 0 GHAERO C[C@H]1C[NH+](CC2CCN(C(=O)Nc3nc4ccccc4s3)CC2)C[C@H](C)O1 ZINC000407990349 838440453 /nfs/dbraw/zinc/44/04/53/838440453.db2.gz NKZLZDZQSMXXJN-GJZGRUSLSA-N 1 0 388.537 3.649 10 0 GHAERO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@H]2CCCc3sccc32)CC1 ZINC000123388841 839361487 /nfs/dbraw/zinc/36/14/87/839361487.db2.gz FGMBZXWPJAQUCZ-KRWDZBQOSA-N 1 0 397.544 3.584 10 0 GHAERO Cc1ccc(N2CCC([NH2+]C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)nc1 ZINC000174430739 839522899 /nfs/dbraw/zinc/52/28/99/839522899.db2.gz WMFCPEVIGOMAII-GOSISDBHSA-N 1 0 388.556 3.596 10 0 GHAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000106208062 840761738 /nfs/dbraw/zinc/76/17/38/840761738.db2.gz YGODEKVHMBNXTO-RTWAWAEBSA-N 1 0 380.536 3.758 10 0 GHAERO CCc1nccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000106217106 840779863 /nfs/dbraw/zinc/77/98/63/840779863.db2.gz DFHSNSGEOXQCIT-GWZYHKFFSA-N 1 0 384.568 3.556 10 0 GHAERO C[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc(F)cc1F ZINC000152038147 846165296 /nfs/dbraw/zinc/16/52/96/846165296.db2.gz NYDFRBCBOVUYTB-ZOCZFRKYSA-N 1 0 387.474 3.880 10 0 GHAERO CCC[NH+]1CCC(CNC(=O)NCc2cccc(NC(=O)CC(C)C)c2)CC1 ZINC000102000912 852085039 /nfs/dbraw/zinc/08/50/39/852085039.db2.gz VXROIMCHIGYWDU-UHFFFAOYSA-N 1 0 388.556 3.592 10 0 GHAERO Cc1nn2c(C[N@@H+]3CCC[C@@H]3[C@@H]3C[C@@H](C)CC[C@H]3O)c(C(C)C)nc2s1 ZINC000329841348 862365894 /nfs/dbraw/zinc/36/58/94/862365894.db2.gz OMOAOTPRQNXVDS-KMANFZQXSA-N 1 0 376.570 3.984 10 0 GHAERO COc1ccc([C@@H]2CCCCCN2C(=O)C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)cc1 ZINC000328874314 854592260 /nfs/dbraw/zinc/59/22/60/854592260.db2.gz FNPREQLTQPJYAL-QTEQDKRBSA-N 1 0 399.535 3.626 10 0 GHAERO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000247033857 855585828 /nfs/dbraw/zinc/58/58/28/855585828.db2.gz NTCBZPCWKWIQAX-CKUXNOBLSA-N 1 0 399.579 3.898 10 0 GHAERO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)cc2)C1 ZINC000247098305 855852187 /nfs/dbraw/zinc/85/21/87/855852187.db2.gz SCVGYQJGANRMNQ-UCFCWBNQSA-N 1 0 399.579 3.755 10 0 GHAERO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000162203946 859827586 /nfs/dbraw/zinc/82/75/86/859827586.db2.gz NTCBZPCWKWIQAX-ZFJSRUIDSA-N 1 0 399.579 3.898 10 0 GHAERO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@@H]2c2cnn(C)c2)CC1 ZINC000171458391 860425718 /nfs/dbraw/zinc/42/57/18/860425718.db2.gz ZCOPEXAODNUJHU-JOCHJYFZSA-N 1 0 395.551 3.699 10 0 GHAERO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2Br)cc1F ZINC000102698909 860820799 /nfs/dbraw/zinc/82/07/99/860820799.db2.gz MVNXIIMRJCMUFC-NSHDSACASA-N 1 0 381.245 3.886 10 0 GHAERO Cc1cc(N2CCC[C@@H]([NH2+][C@@H]3C[C@H](C)Sc4sccc43)C2=O)n(C)n1 ZINC000329238992 861183654 /nfs/dbraw/zinc/18/36/54/861183654.db2.gz QAFXITLLWGBNEH-NWANDNLSSA-N 1 0 376.551 3.501 10 0 GHAERO O=C(CN1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1)NC1CCCCC1 ZINC000102401495 865117217 /nfs/dbraw/zinc/11/72/17/865117217.db2.gz POIGOYLUTDGROI-INIZCTEOSA-N 1 0 386.471 3.504 10 0 GHAERO C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccc2c(c1)OCO2 ZINC000103301647 866037865 /nfs/dbraw/zinc/03/78/65/866037865.db2.gz YKKYEQKAQJZVSF-ROUUACIJSA-N 1 0 387.524 3.774 10 0 GHAERO Cc1cnn([C@H]2CCCN(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)C2)c1 ZINC000111808128 866704615 /nfs/dbraw/zinc/70/46/15/866704615.db2.gz RZPKKJJLBQFFHV-QFIPXVFZSA-N 1 0 395.551 3.724 10 0 GHAERO Cc1nc(COc2cccc(/C=C/C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)c2)cs1 ZINC000171444448 882126979 /nfs/dbraw/zinc/12/69/79/882126979.db2.gz MVKXVZLEMYJZPL-AQKVLALTSA-N 1 0 397.544 3.740 10 0 GHAERO CCc1nccn1[C@H]1CCCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](CC)C2)C1 ZINC000153055917 869044493 /nfs/dbraw/zinc/04/44/93/869044493.db2.gz WBOCDEFNFABMBE-OALUTQOASA-N 1 0 389.588 3.693 10 0 GHAERO CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC[C@@H](c3nccs3)C2)CC1 ZINC000114777591 870173597 /nfs/dbraw/zinc/17/35/97/870173597.db2.gz UVNWFDFMDYYNRG-QGZVFWFLSA-N 1 0 399.564 3.697 10 0 GHAERO Cc1csc([C@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C2CC2)n1 ZINC000175019396 882515902 /nfs/dbraw/zinc/51/59/02/882515902.db2.gz NTLWRIJAPYFAPH-ZOCIIQOWSA-N 1 0 399.564 3.507 10 0 GHAERO CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000105055759 882619582 /nfs/dbraw/zinc/61/95/82/882619582.db2.gz DBRQXPXAIMEMLO-HNNXBMFYSA-N 1 0 394.947 3.816 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)/C=C/c1nc2ccccc2s1 ZINC000116248126 873368828 /nfs/dbraw/zinc/36/88/28/873368828.db2.gz GRRQFZXPMRECME-WADNSWHXSA-N 1 0 392.528 3.731 10 0 GHAERO C[C@@H]1CC[C@@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)c2ccccc21 ZINC000179072306 882950741 /nfs/dbraw/zinc/95/07/41/882950741.db2.gz BGVHPVZODSGBEJ-VGOFRKELSA-N 1 0 378.520 3.984 10 0 GHAERO Cn1ccnc1CC1CC[NH+](Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000179528924 883006659 /nfs/dbraw/zinc/00/66/59/883006659.db2.gz GLPJPVJKMREWAF-UHFFFAOYSA-N 1 0 376.504 3.849 10 0 GHAERO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000180010639 883044676 /nfs/dbraw/zinc/04/46/76/883044676.db2.gz XLSGAXQNVOBHNA-IFXJQAMLSA-N 1 0 397.544 3.819 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccccc1OC(F)(F)F ZINC000180229001 883069037 /nfs/dbraw/zinc/06/90/37/883069037.db2.gz UYADZWNDASFUJK-YOEHRIQHSA-N 1 0 393.409 3.621 10 0 GHAERO CC[C@H]([NH2+]CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1cccs1 ZINC000184041765 883304363 /nfs/dbraw/zinc/30/43/63/883304363.db2.gz WGJSNUQALYOQKY-SFHVURJKSA-N 1 0 385.533 3.666 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)CCCc3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC000184175809 883326705 /nfs/dbraw/zinc/32/67/05/883326705.db2.gz AGHKSWVTKLYQHL-MRXNPFEDSA-N 1 0 398.469 3.740 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)c2ccc(F)cc2C1 ZINC000185358545 883441092 /nfs/dbraw/zinc/44/10/92/883441092.db2.gz YIZKOVIKHOTJJI-QFIPXVFZSA-N 1 0 378.451 3.595 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccccc2)c2ccc(F)cc2C1 ZINC000185365146 883442732 /nfs/dbraw/zinc/44/27/32/883442732.db2.gz TYLBZTLCQTZVAO-VFNWGFHPSA-N 1 0 383.467 3.626 10 0 GHAERO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC000188593972 883844789 /nfs/dbraw/zinc/84/47/89/883844789.db2.gz UJAPGJXYVUJIIL-LJQANCHMSA-N 1 0 382.508 3.838 10 0 GHAERO C[C@H](NC(=O)C1(c2ccc(F)cc2)CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000102609402 883875940 /nfs/dbraw/zinc/87/59/40/883875940.db2.gz ODQCVYCKHKWTHF-INIZCTEOSA-N 1 0 399.485 3.626 10 0 GHAERO C[NH+](C)[C@@H](CNC(=O)N1CC2(CCOCC2)c2ccccc21)c1ccccc1 ZINC000190356962 884069508 /nfs/dbraw/zinc/06/95/08/884069508.db2.gz WOHSPJGFRKOHJR-NRFANRHFSA-N 1 0 379.504 3.567 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(N(C)C(C)C)nc2)c2ccc(F)cc2C1 ZINC000191608662 884191013 /nfs/dbraw/zinc/19/10/13/884191013.db2.gz SHMDHMCTEUEPNW-NRFANRHFSA-N 1 0 384.499 3.648 10 0 GHAERO Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000191896270 884217633 /nfs/dbraw/zinc/21/76/33/884217633.db2.gz QVRAGDJQPUXDKO-UHFFFAOYSA-N 1 0 380.536 3.795 10 0 GHAERO NC(=O)[C@H]([NH2+]CCCCOCc1ccccc1)c1ccc(Br)cc1 ZINC000105402120 884753311 /nfs/dbraw/zinc/75/33/11/884753311.db2.gz PGFABXWCCXPPKE-GOSISDBHSA-N 1 0 391.309 3.562 10 0 GHAERO O[C@H](C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1)c1ccccc1Cl ZINC000102520626 885971930 /nfs/dbraw/zinc/97/19/30/885971930.db2.gz VWDVDPCTICAXKK-GOSISDBHSA-N 1 0 384.867 3.698 10 0 GHAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000106426118 886032352 /nfs/dbraw/zinc/03/23/52/886032352.db2.gz GAJOJSQEMIXHNV-FQEVSTJZSA-N 1 0 377.488 3.707 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3cccc(CCC(F)(F)F)c3)CC2)CCO1 ZINC000124379978 886739174 /nfs/dbraw/zinc/73/91/74/886739174.db2.gz LROHQRSJCCBKIN-OAHLLOKOSA-N 1 0 399.457 3.899 10 0 GHAERO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000042628309 886799297 /nfs/dbraw/zinc/79/92/97/886799297.db2.gz ZHAHFEXWEFLCLJ-UXHICEINSA-N 1 0 399.579 3.675 10 0 GHAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)Nc3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000125054626 886823676 /nfs/dbraw/zinc/82/36/76/886823676.db2.gz GYLXTSISSHIODU-KRWDZBQOSA-N 1 0 385.339 3.627 10 0 GHAERO COc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1NC(C)=O ZINC000126271990 886950897 /nfs/dbraw/zinc/95/08/97/886950897.db2.gz DGVJTRIZVFSVJU-WWMYMODYSA-N 1 0 396.535 3.610 10 0 GHAERO Cc1cccc(C[NH+]2CCC(NC(=O)N3CCC[C@@H]3c3ccncc3)CC2)c1 ZINC000045743161 887090830 /nfs/dbraw/zinc/09/08/30/887090830.db2.gz RWILWTOTAQPBHG-JOCHJYFZSA-N 1 0 378.520 3.901 10 0 GHAERO C[C@@H](C(=O)Nc1cccnc1Cl)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245445195 888779042 /nfs/dbraw/zinc/77/90/42/888779042.db2.gz KEABEWUKVIWLND-FUHWJXTLSA-N 1 0 386.927 3.516 10 0 GHAERO C[C@H](O)CC(C)(C)CNC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245655912 889173485 /nfs/dbraw/zinc/17/34/85/889173485.db2.gz DMNXBIGSEMPFSN-JOQOYGCGSA-N 1 0 399.938 3.568 10 0 GHAERO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000245904222 889984088 /nfs/dbraw/zinc/98/40/88/889984088.db2.gz FCJYRRWYCKSWQZ-MQNAVGNWSA-N 1 0 393.510 3.544 10 0 GHAERO O=C(NCCCC[NH+]1CCCC1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000067460235 891152167 /nfs/dbraw/zinc/15/21/67/891152167.db2.gz HFWDOIMKOCFFLQ-FQEVSTJZSA-N 1 0 393.959 3.671 10 0 GHAERO CC[C@@H](NC(=O)NC1CC[NH+](CCc2ccncc2)CC1)c1ccc(OC)cc1 ZINC000072075218 891239292 /nfs/dbraw/zinc/23/92/92/891239292.db2.gz OUGGRECBIQKVLO-JOCHJYFZSA-N 1 0 396.535 3.548 10 0 GHAERO Cc1c2ccccc2oc(=O)c1C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246584080 891288782 /nfs/dbraw/zinc/28/87/82/891288782.db2.gz JADJWOASCNIDSF-AEFFLSMTSA-N 1 0 382.504 3.828 10 0 GHAERO C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)CC1 ZINC000246768002 891306110 /nfs/dbraw/zinc/30/61/10/891306110.db2.gz YPIHCPUXSHTZEA-BHDDXSALSA-N 1 0 379.504 3.614 10 0 GHAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccc(N2CCOC2=O)cc1 ZINC000246860431 891317088 /nfs/dbraw/zinc/31/70/88/891317088.db2.gz BYINSKVARANDAX-NPPFBWRTSA-N 1 0 394.519 3.599 10 0 GHAERO Cn1cc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)c(-c2cccnc2)n1 ZINC000246894954 891322615 /nfs/dbraw/zinc/32/26/15/891322615.db2.gz UEEWBKUAUNBMBS-VQTJNVASSA-N 1 0 380.492 3.943 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)COc1cccc2ccccc21 ZINC000247060883 891339126 /nfs/dbraw/zinc/33/91/26/891339126.db2.gz PDGODOJHFXTMMO-XMSQKQJNSA-N 1 0 389.499 3.640 10 0 GHAERO CCO[C@H](C)c1noc(CN2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 ZINC000247054660 891339608 /nfs/dbraw/zinc/33/96/08/891339608.db2.gz WUMCYBPINHNTIO-NVXWUHKLSA-N 1 0 381.480 3.937 10 0 GHAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccc2c(c1)OCCCO2 ZINC000247066985 891341742 /nfs/dbraw/zinc/34/17/42/891341742.db2.gz OBTALCWTGZUIAG-BBTUJRGHSA-N 1 0 381.520 3.804 10 0 GHAERO COc1cccc([C@H](C)CC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000246930682 891346648 /nfs/dbraw/zinc/34/66/48/891346648.db2.gz MOLPOBXGEPOBDS-JBYIUTFZSA-N 1 0 381.520 3.611 10 0 GHAERO COc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)ccc1OC(C)C ZINC000247240903 891357740 /nfs/dbraw/zinc/35/77/40/891357740.db2.gz OQQTVWRVQSSDDV-YLJYHZDGSA-N 1 0 397.519 3.518 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000247255430 891359276 /nfs/dbraw/zinc/35/92/76/891359276.db2.gz PWOORFOUMOKISS-AUUYWEPGSA-N 1 0 392.330 3.958 10 0 GHAERO C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3ccc(Oc4cccnc4)c(F)c3)CC[C@H]21 ZINC000247290548 891362971 /nfs/dbraw/zinc/36/29/71/891362971.db2.gz UDBQZXPREVIYAN-FXAWDEMLSA-N 1 0 398.482 3.639 10 0 GHAERO Cn1c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nnc1-c1ccc(Cl)cc1 ZINC000248806254 891472041 /nfs/dbraw/zinc/47/20/41/891472041.db2.gz ZYEHKUASJCFIKD-QFBILLFUSA-N 1 0 385.943 3.584 10 0 GHAERO CCCNc1ccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000248835976 891473224 /nfs/dbraw/zinc/47/32/24/891473224.db2.gz DBPPYIYHPJIIET-XMSQKQJNSA-N 1 0 395.551 3.613 10 0 GHAERO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)C1 ZINC000249271765 891503176 /nfs/dbraw/zinc/50/31/76/891503176.db2.gz BJIWPYXAHYXFQR-ZWKOTPCHSA-N 1 0 396.539 3.600 10 0 GHAERO C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000333093599 899954180 /nfs/dbraw/zinc/95/41/80/899954180.db2.gz CUBKTFBFLIMRNM-DYESRHJHSA-N 1 0 398.551 3.697 10 0 GHAERO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2ncc(C3CCCCC3)s2)CC1 ZINC000333187047 900019702 /nfs/dbraw/zinc/01/97/02/900019702.db2.gz TYRGQRPQQODIKI-FUHWJXTLSA-N 1 0 392.569 3.941 10 0 GHAERO Cn1cc(-c2cc(C[N@@H+]3CCC[C@@H](c4nc(-c5ccccc5)c[nH]4)C3)on2)cn1 ZINC000185034047 1014576063 /nfs/dbraw/zinc/57/60/63/1014576063.db2.gz HUKGXLAUHPMDRA-QGZVFWFLSA-N 1 0 388.475 3.845 10 0 GHAERO O=C(CC(F)(F)F)N1CC[C@@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000014968855 210136989 /nfs/dbraw/zinc/13/69/89/210136989.db2.gz QEDYBZWGLKWQGL-CQSZACIVSA-N 1 0 390.396 3.978 10 0 GHAERO COc1cc(C[NH2+]Cc2ccccn2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000013731509 210086292 /nfs/dbraw/zinc/08/62/92/210086292.db2.gz VUBKQBXUUSCBBL-UHFFFAOYSA-N 1 0 391.471 3.706 10 0 GHAERO CCN1CCC[C@@H](C[N@H+](C)C[C@@H](O)c2ccc(Cl)cc2)[C@@H]1c1cnn(C)c1 ZINC000328632274 209150390 /nfs/dbraw/zinc/15/03/90/209150390.db2.gz LHIMYRKFPNSMNQ-IOMROCGXSA-N 1 0 390.959 3.512 10 0 GHAERO O=C(NCC[NH+]1CCCCC1)c1cc2occc2c(Nc2ccc(F)cc2)n1 ZINC000096323667 211334453 /nfs/dbraw/zinc/33/44/53/211334453.db2.gz DAEUMYOTGOKKGJ-UHFFFAOYSA-N 1 0 382.439 3.926 10 0 GHAERO C[C@H]1CCCC[N@@H+]1CCCN1C(=O)c2ccccc2[C@@H]1C(=O)NC1CCCCC1 ZINC000020683631 210355574 /nfs/dbraw/zinc/35/55/74/210355574.db2.gz LKWFZQSWOQEJPO-PGRDOPGGSA-N 1 0 397.563 3.897 10 0 GHAERO OCC1(CCOc2ccccc2)CC[NH+]([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000020536868 210344962 /nfs/dbraw/zinc/34/49/62/210344962.db2.gz XDLGZWXCTMKVLX-HSZRJFAPSA-N 1 0 394.559 3.805 10 0 GHAERO COc1cc(CN2CCC[C@H]([N@@H+]3CCc4ccccc4C3)C2)cc(OC)c1OC ZINC000019641780 210277085 /nfs/dbraw/zinc/27/70/85/210277085.db2.gz MPZOKSYLOMUDEF-NRFANRHFSA-N 1 0 396.531 3.735 10 0 GHAERO COc1ccc(C[N@@H+](Cc2ccco2)C[C@@H](O)Cc2ccccc2)cc1OC ZINC000036095734 570534905 /nfs/dbraw/zinc/53/49/05/570534905.db2.gz GANATPNSASYWJI-FQEVSTJZSA-N 1 0 381.472 3.903 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cc(Oc4ccccc4)ccc3O)CC2)CCO1 ZINC000157418502 834912096 /nfs/dbraw/zinc/91/20/96/834912096.db2.gz XJRKOUHHABWFTL-QGZVFWFLSA-N 1 0 396.487 3.510 10 0 GHAERO CCn1cc(CC(=O)NC2CCN(c3ccc(C)cn3)CC2)c2ccccc21 ZINC000157684935 835037147 /nfs/dbraw/zinc/03/71/47/835037147.db2.gz SELDHYXZAOZLAH-UHFFFAOYSA-N 1 0 376.504 3.692 10 0 GHAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000329613651 835390948 /nfs/dbraw/zinc/39/09/48/835390948.db2.gz CTVIUHSWDSUGBN-IERDGZPVSA-N 1 0 395.478 3.777 10 0 GHAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CCc1nnc(-c2cc3ccccc3o2)o1 ZINC000329651166 835529239 /nfs/dbraw/zinc/52/92/39/835529239.db2.gz KTNWRPIAIZFZMY-WBVHZDCISA-N 1 0 394.475 3.501 10 0 GHAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000247779500 835801743 /nfs/dbraw/zinc/80/17/43/835801743.db2.gz RNKLRUYAVVYXFJ-UZLBHIALSA-N 1 0 377.492 3.749 10 0 GHAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(CSc4nc5ccccc5[nH]4)cc3)C[C@H]12 ZINC000248633808 835866222 /nfs/dbraw/zinc/86/62/22/835866222.db2.gz PTRIFEHWLYXARF-FGTMMUONSA-N 1 0 392.528 3.665 10 0 GHAERO Cc1cc([C@H]2CCCN(C(=O)NC[C@@H]3CCCC[N@@H+]3Cc3ccccc3)C2)[nH]n1 ZINC000332743424 836531301 /nfs/dbraw/zinc/53/13/01/836531301.db2.gz ORIBHZQLZVYCFC-SFTDATJTSA-N 1 0 395.551 3.662 10 0 GHAERO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@@H+]2Cc2nc3c4ccccc4oc3c(=O)[nH]2)C1 ZINC000328756504 840405210 /nfs/dbraw/zinc/40/52/10/840405210.db2.gz UGDLVQMTQNLMFW-SIXLDLHFSA-N 1 0 381.476 3.843 10 0 GHAERO Cc1cccnc1/C=C\C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000588455716 843357698 /nfs/dbraw/zinc/35/76/98/843357698.db2.gz FVCGSPBPHOYNGC-WJEHCBQESA-N 1 0 375.516 3.916 10 0 GHAERO C[C@H]1CC[C@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)c2ccccc21 ZINC000179072288 861465146 /nfs/dbraw/zinc/46/51/46/861465146.db2.gz BGVHPVZODSGBEJ-JTSKRJEESA-N 1 0 378.520 3.984 10 0 GHAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000247812478 845035734 /nfs/dbraw/zinc/03/57/34/845035734.db2.gz VGRKGXPIWFYTRV-CGVQKBNFSA-N 1 0 384.568 3.647 10 0 GHAERO CC(=O)c1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1C ZINC000119689854 846243920 /nfs/dbraw/zinc/24/39/20/846243920.db2.gz UHCWERBEYLOKAG-KKSFZXQISA-N 1 0 380.492 3.625 10 0 GHAERO CC(C)c1nn(C)c2sc(-c3nc([C@@H]4C[N@@H+]5CCC[C@]5(C)CO4)no3)cc12 ZINC000329569981 861675250 /nfs/dbraw/zinc/67/52/50/861675250.db2.gz INWBRVCDVJLJMH-ORAYPTAESA-N 1 0 387.509 3.734 10 0 GHAERO CC(=O)N1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC12CCCCC2 ZINC000333620576 847172455 /nfs/dbraw/zinc/17/24/55/847172455.db2.gz GGHBDYYZDCTQTR-OAQYLSRUSA-N 1 0 398.551 3.634 10 0 GHAERO Cc1cccc2[nH]c(CCC(=O)NC3CC[NH+]([C@H](C)c4ccncc4)CC3)nc21 ZINC000155693556 849603820 /nfs/dbraw/zinc/60/38/20/849603820.db2.gz IVZLVBHPYCDJOA-QGZVFWFLSA-N 1 0 391.519 3.541 10 0 GHAERO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cc(Br)ccc3F)n1)OC2 ZINC000329695955 862100884 /nfs/dbraw/zinc/10/08/84/862100884.db2.gz XRGREAPYHVYXAS-XJKSGUPXSA-N 1 0 382.233 3.564 10 0 GHAERO Cc1nn2c(C[N@@H+]3CCC[C@@H]3[C@@H]3C[C@H](C)CC[C@@H]3O)c(C(C)C)nc2s1 ZINC000329841355 862365631 /nfs/dbraw/zinc/36/56/31/862365631.db2.gz OMOAOTPRQNXVDS-VUNQQRPYSA-N 1 0 376.570 3.984 10 0 GHAERO COc1cc(F)c(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cc1OC ZINC000161544891 855081475 /nfs/dbraw/zinc/08/14/75/855081475.db2.gz KSSOXIZSUJGNNM-UHFFFAOYSA-N 1 0 378.488 3.616 10 0 GHAERO C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@@H](c2ccccc2)c2ccncc2)C1 ZINC000103305994 863950442 /nfs/dbraw/zinc/95/04/42/863950442.db2.gz CNSXLLLIMYMQPQ-UGKGYDQZSA-N 1 0 380.536 3.982 10 0 GHAERO COc1ccccc1CCN(C)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000103858304 864058790 /nfs/dbraw/zinc/05/87/90/864058790.db2.gz DKQCQDNNLMBAFB-UHFFFAOYSA-N 1 0 395.547 3.852 10 0 GHAERO COc1ccccc1CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1Br ZINC000104709517 864553800 /nfs/dbraw/zinc/55/38/00/864553800.db2.gz PXCGXHAZZZJABU-AWEZNQCLSA-N 1 0 391.309 3.959 10 0 GHAERO Cc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c2cccs2)cc1 ZINC000248165954 864837777 /nfs/dbraw/zinc/83/77/77/864837777.db2.gz SXRWBNSEVLBXRQ-VJBMBRPKSA-N 1 0 398.572 3.889 10 0 GHAERO O=C(Nc1cccc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)c1)c1ccccc1Cl ZINC000106379915 866441197 /nfs/dbraw/zinc/44/11/97/866441197.db2.gz HCLCNQRGBNYRDO-IBGZPJMESA-N 1 0 399.922 3.545 10 0 GHAERO Cc1nc2c(cnn2C)c(N2CC[NH+]([C@@H](C)c3ccc4ccccc4c3)CC2)n1 ZINC000106169827 870616633 /nfs/dbraw/zinc/61/66/33/870616633.db2.gz ZBGYYWWMBWSJQL-INIZCTEOSA-N 1 0 386.503 3.708 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(C)Cc1cc2ccccc2o1 ZINC000175525175 882593498 /nfs/dbraw/zinc/59/34/98/882593498.db2.gz YJMITQKPJKBUNY-UTKZUKDTSA-N 1 0 392.503 3.880 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1CCCC[C@@H]1c1cccn1C ZINC000175525295 882594327 /nfs/dbraw/zinc/59/43/27/882594327.db2.gz GRZQOHRVFXAFOC-KAGYGMCKSA-N 1 0 395.551 3.567 10 0 GHAERO COc1cc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)ccc1OCc1ccncc1 ZINC000093690746 882598388 /nfs/dbraw/zinc/59/83/88/882598388.db2.gz ZASXNZCLECQZSA-NRFANRHFSA-N 1 0 391.471 3.718 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc(OCC2CC2)cc1 ZINC000116244541 873365712 /nfs/dbraw/zinc/36/57/12/873365712.db2.gz CKVZLAARVQCCEV-VGSWGCGISA-N 1 0 379.504 3.511 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000116251021 873369460 /nfs/dbraw/zinc/36/94/60/873369460.db2.gz APQJCUXXIPQCLE-UZLBHIALSA-N 1 0 383.923 3.793 10 0 GHAERO COc1ccc([C@H]2CCN(C(=O)NC3CCN(c4cccc(C)n4)CC3)C2)cc1 ZINC000116970300 873799657 /nfs/dbraw/zinc/79/96/57/873799657.db2.gz PERPZICEHGHOPD-IBGZPJMESA-N 1 0 394.519 3.567 10 0 GHAERO Cc1cccc(N2CCC(NC(=O)N3CC=C(c4ccc(O)cc4)CC3)CC2)n1 ZINC000116970574 873800154 /nfs/dbraw/zinc/80/01/54/873800154.db2.gz VJCRVVYCFAOCOV-UHFFFAOYSA-N 1 0 392.503 3.563 10 0 GHAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000177310931 882819106 /nfs/dbraw/zinc/81/91/06/882819106.db2.gz ZBHFPGUGSYYDQK-OLZOCXBDSA-N 1 0 389.849 3.856 10 0 GHAERO Cc1nccn1-c1ccc([C@H](C)NC(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000123262060 880168383 /nfs/dbraw/zinc/16/83/83/880168383.db2.gz NLUHGKYSWYKREZ-KRWDZBQOSA-N 1 0 381.524 3.512 10 0 GHAERO CC(=O)N1CC[C@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)c2ccc(F)cc2C1 ZINC000185516140 883548675 /nfs/dbraw/zinc/54/86/75/883548675.db2.gz OMAGDEZJWLNTBJ-NRFANRHFSA-N 1 0 398.482 3.502 10 0 GHAERO O[C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186195825 883619068 /nfs/dbraw/zinc/61/90/68/883619068.db2.gz JPJGTTWNXXTURH-HSALFYBXSA-N 1 0 396.288 3.576 10 0 GHAERO CN1CC[C@H]([NH2+][C@@H]2CCS(=O)(=O)c3ccccc32)[C@@H]1c1ccc(Cl)cc1 ZINC000186304240 883630944 /nfs/dbraw/zinc/63/09/44/883630944.db2.gz LZSPTCAKLRXDSX-HBFSDRIKSA-N 1 0 390.936 3.594 10 0 GHAERO COc1cccc(C(=O)c2ccc(C(=O)N3CCC([NH+]4CCCC4)CC3)cc2)c1 ZINC000186518266 883661408 /nfs/dbraw/zinc/66/14/08/883661408.db2.gz QADBZPQXOGRENT-UHFFFAOYSA-N 1 0 392.499 3.627 10 0 GHAERO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CCC[C@H](c2nccs2)C1 ZINC000114829194 886330700 /nfs/dbraw/zinc/33/07/00/886330700.db2.gz AFXVLFFGQXRNFP-UXHICEINSA-N 1 0 398.576 3.597 10 0 GHAERO COc1ccccc1CCN(C)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000105129775 886375455 /nfs/dbraw/zinc/37/54/55/886375455.db2.gz SLXOLUVILFOXGC-NRFANRHFSA-N 1 0 381.520 3.716 10 0 GHAERO CCOc1ccc([C@@H](C)NC(=O)N2CCC([NH+]3CCCC3)CC2)cc1OCC ZINC000043117370 886836522 /nfs/dbraw/zinc/83/65/22/886836522.db2.gz JVACOVJCAZKSRQ-QGZVFWFLSA-N 1 0 389.540 3.815 10 0 GHAERO c1c(CN2CCC([NH+]3CCCC3)CC2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000127729909 887094539 /nfs/dbraw/zinc/09/45/39/887094539.db2.gz LRQCIRFLCIVQBB-UHFFFAOYSA-N 1 0 387.531 3.995 10 0 GHAERO Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccc(N4CCCC4=O)cc3)CC2)n1 ZINC000128218446 887162568 /nfs/dbraw/zinc/16/25/68/887162568.db2.gz KRGUVCIMLNVCDX-SFHVURJKSA-N 1 0 378.520 3.836 10 0 GHAERO CC(C)c1ccc(C2(O)CCC([NH2+]C3CCN(c4ncccn4)CC3)CC2)cc1 ZINC000131140281 887513287 /nfs/dbraw/zinc/51/32/87/887513287.db2.gz HEHJGFOLPKLDQN-UHFFFAOYSA-N 1 0 394.563 3.989 10 0 GHAERO C[NH+]1CCC(Oc2ccc(NC(=O)c3cc(O)ccc3C(F)(F)F)cn2)CC1 ZINC000193678145 888517066 /nfs/dbraw/zinc/51/70/66/888517066.db2.gz ONMJJGJQWZZYJY-UHFFFAOYSA-N 1 0 395.381 3.531 10 0 GHAERO CC(C)Cn1cc(C(F)F)c(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000193818475 888530340 /nfs/dbraw/zinc/53/03/40/888530340.db2.gz SMFCGTXAIQPXKR-QGZVFWFLSA-N 1 0 390.478 3.729 10 0 GHAERO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC[C@H](c2nccs2)C1 ZINC000195342752 888681630 /nfs/dbraw/zinc/68/16/30/888681630.db2.gz BWRTUHYZOKYMOV-RDJZCZTQSA-N 1 0 382.533 3.551 10 0 GHAERO CCn1cnnc1-c1cccc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000245558971 888940843 /nfs/dbraw/zinc/94/08/43/888940843.db2.gz HPIODDJDLQSTDC-UTKZUKDTSA-N 1 0 376.508 3.683 10 0 GHAERO C[N@@H+]1CC[C@H](CNC(=O)CSc2ccncc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245735886 889566580 /nfs/dbraw/zinc/56/65/80/889566580.db2.gz USHSVEIKRNEIOK-AUUYWEPGSA-N 1 0 393.915 3.775 10 0 GHAERO C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000245856290 889870679 /nfs/dbraw/zinc/87/06/79/889870679.db2.gz HKZOTDFREDPASC-NSISKUIASA-N 1 0 388.556 3.642 10 0 GHAERO CN(C(=O)c1csc([C@H]2CCCO2)n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000245864762 889884217 /nfs/dbraw/zinc/88/42/17/889884217.db2.gz FDELHGZTJPJDLF-PKOBYXMFSA-N 1 0 385.533 3.731 10 0 GHAERO COc1cc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)ccc1OCc1c(C)noc1C ZINC000245987798 890133896 /nfs/dbraw/zinc/13/38/96/890133896.db2.gz FMMSRWPXJSJEAU-SXLOBPIMSA-N 1 0 386.492 3.926 10 0 GHAERO CCC(=O)c1cccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000246265608 890889142 /nfs/dbraw/zinc/88/91/42/890889142.db2.gz LRBSLESKAAODEQ-OXQOHEQNSA-N 1 0 380.492 3.706 10 0 GHAERO Cc1cc(N(C)C)cc(C)c1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246371650 891081045 /nfs/dbraw/zinc/08/10/45/891081045.db2.gz SCGQBGQZEUQXQA-WIYYLYMNSA-N 1 0 395.551 3.797 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)NC(C)(C)c1cccc(F)c1 ZINC000246806704 891309382 /nfs/dbraw/zinc/30/93/82/891309382.db2.gz RGTSJHHQNZSIGR-OXQOHEQNSA-N 1 0 384.499 3.666 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(C)Cc1cccc(Cl)c1 ZINC000246858408 891317635 /nfs/dbraw/zinc/31/76/35/891317635.db2.gz DUQOHMHMQFINIS-OXQOHEQNSA-N 1 0 386.927 3.787 10 0 GHAERO C[C@@H]([NH2+][C@H]1CCCOc2ccccc21)c1cccc(N2CCCS2(=O)=O)c1 ZINC000246897178 891322466 /nfs/dbraw/zinc/32/24/66/891322466.db2.gz FCHPIFVCWMXXIQ-UZLBHIALSA-N 1 0 386.517 3.791 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1nc2ccccc2s1 ZINC000246974765 891326884 /nfs/dbraw/zinc/32/68/84/891326884.db2.gz KLDDFRJUZPVHMK-GOEBONIOSA-N 1 0 381.505 3.723 10 0 GHAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1cccc(N2CCOC2=O)c1 ZINC000246983731 891328021 /nfs/dbraw/zinc/32/80/21/891328021.db2.gz KGCMTKZDYPTRNU-KGVIQGDOSA-N 1 0 394.519 3.599 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)/C=C/c1nc2ccccc2s1 ZINC000247125209 891346384 /nfs/dbraw/zinc/34/63/84/891346384.db2.gz GRRQFZXPMRECME-NKHMXISVSA-N 1 0 392.528 3.731 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1CCCO[C@H]1c1ccccc1 ZINC000247137941 891348035 /nfs/dbraw/zinc/34/80/35/891348035.db2.gz HPNQAPFSDCGBMV-PVSGBFIBSA-N 1 0 393.531 3.576 10 0 GHAERO Cc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)o1 ZINC000247211146 891354924 /nfs/dbraw/zinc/35/49/24/891354924.db2.gz WZDYZATXKIWXOO-RBUKOAKNSA-N 1 0 377.506 3.642 10 0 GHAERO CCCc1noc(CCCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000247224077 891355510 /nfs/dbraw/zinc/35/55/10/891355510.db2.gz RLRFFSGTFNJNAL-PKOBYXMFSA-N 1 0 384.524 3.514 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000247255446 891359948 /nfs/dbraw/zinc/35/99/48/891359948.db2.gz PWOORFOUMOKISS-IFXJQAMLSA-N 1 0 392.330 3.958 10 0 GHAERO O=C(CC[N@@H+]1CCS[C@@H]2COCC[C@H]21)Nc1cc(Cl)ccc1Cl ZINC000247286617 891363001 /nfs/dbraw/zinc/36/30/01/891363001.db2.gz TXFDVJZNBKFIIV-HUUCEWRRSA-N 1 0 375.321 3.528 10 0 GHAERO COc1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)cc(OC)c1OC ZINC000247305910 891364631 /nfs/dbraw/zinc/36/46/31/891364631.db2.gz ZYQLLERLRCOLFU-HZPDHXFCSA-N 1 0 377.506 3.862 10 0 GHAERO C[C@H](O)c1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000247325983 891367073 /nfs/dbraw/zinc/36/70/73/891367073.db2.gz IQZSJAHUTLTWHD-YDHSSHFGSA-N 1 0 395.547 3.934 10 0 GHAERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cccc(NC(=O)c4cccs4)c3)CC[C@H]21 ZINC000248183738 891416070 /nfs/dbraw/zinc/41/60/70/891416070.db2.gz WYLAIUJZXIJSJU-FUHWJXTLSA-N 1 0 383.517 3.557 10 0 GHAERO Cc1coc(-c2ccc(C)c(NC(=O)N3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)c2)n1 ZINC000333185264 900018814 /nfs/dbraw/zinc/01/88/14/900018814.db2.gz QRFSDBPWGCIJEG-QUCCMNQESA-N 1 0 398.507 3.709 10 0 GHAERO Cc1cc(Br)ccc1NC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333224109 900047959 /nfs/dbraw/zinc/04/79/59/900047959.db2.gz XCQWOOYZEUGQAM-DOTOQJQBSA-N 1 0 396.329 3.508 10 0 GHAERO Cc1cc(Br)cc(NC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000333252304 901941473 /nfs/dbraw/zinc/94/14/73/901941473.db2.gz CRAOZIMLTTXSNZ-IRXDYDNUSA-N 1 0 396.329 3.508 10 0 GHAERO Cc1cccc(NC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1Br ZINC000333276720 901963599 /nfs/dbraw/zinc/96/35/99/901963599.db2.gz GXJZGKLINMMUNW-PBHICJAKSA-N 1 0 396.329 3.508 10 0 GHAERO [NH3+][C@@H]1CCC[C@H]2CN(c3nnc(-c4cc(Br)ccc4F)s3)C[C@@H]21 ZINC000333508785 902144622 /nfs/dbraw/zinc/14/46/22/902144622.db2.gz ITKIOHKWBGJWIM-DUFXMDAXSA-N 1 0 397.317 3.670 10 0 GHAERO Cc1nc(-c2ccc([C@H](C)NC(=O)N3CCC4(CC[NH2+]C4)CC3)cc2)cs1 ZINC000333935057 902437931 /nfs/dbraw/zinc/43/79/31/902437931.db2.gz JCEYHPAPYSEUFV-HNNXBMFYSA-N 1 0 384.549 3.965 10 0 GHAERO Cc1[nH+]c2c(Cl)cccc2c(N2CCC(N3CCCS3(=O)=O)CC2)c1C ZINC000334131993 902578118 /nfs/dbraw/zinc/57/81/18/902578118.db2.gz VBNVRAXUSLFCCS-UHFFFAOYSA-N 1 0 393.940 3.509 10 0 GHAERO O=C(c1noc2c1CCCC2)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000014974210 210137857 /nfs/dbraw/zinc/13/78/57/210137857.db2.gz OOWDXCUJDBVZRH-QHCPKHFHSA-N 1 0 397.494 3.821 10 0 GHAERO CCOC(=O)c1csc(N2[NH2+]C(C(C)(C)C)=C[C@]2(O)C(F)(F)C(F)F)n1 ZINC000001415795 212060973 /nfs/dbraw/zinc/06/09/73/212060973.db2.gz SHAPIAVWEAGWLL-AWEZNQCLSA-N 1 0 397.394 3.521 10 0 GHAERO Cc1nc(C[NH+]2CCC3(C[C@@H](CC(=O)N(C)C)c4ccccc43)CC2)cs1 ZINC000096079472 211301302 /nfs/dbraw/zinc/30/13/02/211301302.db2.gz KRHDZJCSTYDOPD-QGZVFWFLSA-N 1 0 383.561 3.951 10 0 GHAERO c1cc2c(ncnc2N2CCC([C@H]3CC[N@@H+](CCc4ccccc4)C3)CC2)[nH]1 ZINC000072129505 211071500 /nfs/dbraw/zinc/07/15/00/211071500.db2.gz XOYDXQRSJARYJI-FQEVSTJZSA-N 1 0 375.520 3.739 10 0 GHAERO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cccc2c3ccccc3sc21 ZINC000067459836 211009492 /nfs/dbraw/zinc/00/94/92/211009492.db2.gz KVEUPYNOJUYIAN-LPHOPBHVSA-N 1 0 381.545 3.825 10 0 GHAERO COc1cccc(-c2cc3c(N4CCC([NH+]5CCCCC5)CC4)nccn3n2)c1 ZINC000067284833 211006535 /nfs/dbraw/zinc/00/65/35/211006535.db2.gz QUYBUBMNIJDRAG-UHFFFAOYSA-N 1 0 391.519 3.860 10 0 GHAERO CCCOc1ccccc1C[NH2+]CCCSc1nnnn1-c1ccccc1 ZINC000020924575 210368748 /nfs/dbraw/zinc/36/87/48/210368748.db2.gz XKFBUXJTSVPPDL-UHFFFAOYSA-N 1 0 383.521 3.723 10 0 GHAERO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]12CC[N@@H+](C1CCSCC1)C2 ZINC000011839831 221131460 /nfs/dbraw/zinc/13/14/60/221131460.db2.gz YLTTZXHMSOFIKH-FQEVSTJZSA-N 1 0 380.504 3.675 10 0 GHAERO [NH3+][C@H]1CCN(c2cc(-c3cccnc3)nc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000073684070 527411405 /nfs/dbraw/zinc/41/14/05/527411405.db2.gz NRUPSXVMDXESBX-INIZCTEOSA-N 1 0 385.393 3.762 10 0 GHAERO C[NH+]1CCN(CCCN2c3ccccc3[S@](=O)c3ccc(Cl)cc32)CC1 ZINC000021981330 570300783 /nfs/dbraw/zinc/30/07/83/570300783.db2.gz AZGYHFQQUZPAFZ-AREMUKBSSA-N 1 0 389.952 3.596 10 0 in-vitro GHAERO Cn1ccnc1CC1CCN(C(=O)Nc2ccc3oc(C4CC4)nc3c2)CC1 ZINC000156958455 834654615 /nfs/dbraw/zinc/65/46/15/834654615.db2.gz ZTBZWJLCIGXSMW-UHFFFAOYSA-N 1 0 379.464 3.925 10 0 GHAERO Cc1cc(NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cnc1N1CCCC[C@@H]1C ZINC000333117873 844037958 /nfs/dbraw/zinc/03/79/58/844037958.db2.gz HRZGPQAFSZBLFR-PXNSSMCTSA-N 1 0 385.556 3.765 10 0 GHAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000329626315 835462514 /nfs/dbraw/zinc/46/25/14/835462514.db2.gz GQSZYOBQJGAVEO-CRAIPNDOSA-N 1 0 383.517 3.699 10 0 GHAERO CN1CC[C@H](NC(=O)N[C@H]2CCOc3ccccc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000245728386 844081637 /nfs/dbraw/zinc/08/16/37/844081637.db2.gz XXSATFQIOJBFPG-BJLQDIEVSA-N 1 0 387.430 3.533 10 0 GHAERO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000332880907 844621503 /nfs/dbraw/zinc/62/15/03/844621503.db2.gz GQQATYFXUQFTEQ-FIXSFTCYSA-N 1 0 399.579 3.625 10 0 GHAERO COc1cc([C@H](C)[NH2+]C2CCN(c3ccc(C)cn3)CC2)cc(OC)c1OC ZINC000163481444 843005673 /nfs/dbraw/zinc/00/56/73/843005673.db2.gz FHWKFOLBOYPOEC-INIZCTEOSA-N 1 0 385.508 3.735 10 0 GHAERO Cc1c([C@@H](C)[NH2+][C@H]2CCN(c3ncccc3Cl)C2)cnn1-c1ccccn1 ZINC000119939312 847699538 /nfs/dbraw/zinc/69/95/38/847699538.db2.gz GKGONQGNMCLZFE-ZBFHGGJFSA-N 1 0 382.899 3.554 10 0 GHAERO Cc1nc(CN2CCCN(c3cc[nH+]c4cc(C(F)(F)F)ccc43)CC2)no1 ZINC000124754390 854657235 /nfs/dbraw/zinc/65/72/35/854657235.db2.gz MUYOXISJXUPVJG-UHFFFAOYSA-N 1 0 391.397 3.657 10 0 GHAERO COc1ccccc1CC[N@H+](C)[C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000104709272 856373412 /nfs/dbraw/zinc/37/34/12/856373412.db2.gz XCTCGCRKJZEMMW-INIZCTEOSA-N 1 0 397.544 3.826 10 0 GHAERO Cc1ccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1NC(=O)Nc1ccccc1 ZINC000133619671 858815369 /nfs/dbraw/zinc/81/53/69/858815369.db2.gz NQTKDPSZHXTLOK-FXAWDEMLSA-N 1 0 392.503 3.948 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000172168002 882174723 /nfs/dbraw/zinc/17/47/23/882174723.db2.gz AUWAXKJHGUOKHU-PHRRHICISA-N 1 0 382.552 3.560 10 0 GHAERO CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c2ccccc21 ZINC000172306047 882198347 /nfs/dbraw/zinc/19/83/47/882198347.db2.gz YBPBDXBFKZJNRJ-UWJYYQICSA-N 1 0 376.504 3.697 10 0 GHAERO OCCn1nccc1C1CC[NH+](Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000092811422 882440097 /nfs/dbraw/zinc/44/00/97/882440097.db2.gz PHWLIPKWHOCVSN-UHFFFAOYSA-N 1 0 385.842 3.510 10 0 GHAERO C[C@H](NC(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(C)(C)C ZINC000175531055 882594753 /nfs/dbraw/zinc/59/47/53/882594753.db2.gz SBWMWLFZTAMYCM-PXNSSMCTSA-N 1 0 375.557 3.508 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccccc1OC(F)F ZINC000116477381 873513625 /nfs/dbraw/zinc/51/36/25/873513625.db2.gz LUVKURUITHQFFM-ZBFHGGJFSA-N 1 0 390.434 3.715 10 0 GHAERO CCOc1ccc(OC)cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116499091 873519672 /nfs/dbraw/zinc/51/96/72/873519672.db2.gz FZOUOLCMAKUOLD-QFBILLFUSA-N 1 0 398.507 3.521 10 0 GHAERO O=C(NC1CC[NH+](CC2CC2)CC1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000178533502 882902148 /nfs/dbraw/zinc/90/21/48/882902148.db2.gz ZFMOVUPXOYQSBE-HXUWFJFHSA-N 1 0 383.536 3.997 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)c3ccc(CCC(F)(F)F)cc3)CC2)CCO1 ZINC000178556712 882903600 /nfs/dbraw/zinc/90/36/00/882903600.db2.gz CHRWIMBQNGNOJR-HNNXBMFYSA-N 1 0 384.442 3.507 10 0 GHAERO C[C@H](CC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1)Cc1ccc(Cl)cc1 ZINC000180064897 883048443 /nfs/dbraw/zinc/04/84/43/883048443.db2.gz MHJUVVCUQJMBDP-GHTZIAJQSA-N 1 0 391.987 3.537 10 0 GHAERO COc1ccc([C@H](C)[NH2+]CC[C@@H]2C(=O)Nc3ccccc32)cc1Cn1cccn1 ZINC000180391502 883053421 /nfs/dbraw/zinc/05/34/21/883053421.db2.gz OKFJPGFXRHIRNS-JXFKEZNVSA-N 1 0 390.487 3.717 10 0 GHAERO CCCN(C(=O)c1ccccc1NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)C(C)C ZINC000180632244 883087976 /nfs/dbraw/zinc/08/79/76/883087976.db2.gz QZAWRSKEZAXENJ-XLIONFOSSA-N 1 0 386.540 3.505 10 0 GHAERO COc1ccc2ccccc2c1-c1cc(C[NH+]2CCC(n3cncn3)CC2)on1 ZINC000181043134 883118476 /nfs/dbraw/zinc/11/84/76/883118476.db2.gz VTKQTPILMUTMKL-UHFFFAOYSA-N 1 0 389.459 3.932 10 0 GHAERO C[C@@H]([NH2+]CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1ccncc1 ZINC000181588861 883165364 /nfs/dbraw/zinc/16/53/64/883165364.db2.gz DRXDAJMDDLHCJE-ZHRRBRCNSA-N 1 0 377.513 3.968 10 0 GHAERO Cc1cc(C)c(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c(Cl)n1 ZINC000181809266 883185230 /nfs/dbraw/zinc/18/52/30/883185230.db2.gz SBSPBTAQTNJVHP-UHFFFAOYSA-N 1 0 375.875 3.885 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000185449631 883457883 /nfs/dbraw/zinc/45/78/83/883457883.db2.gz IGSAVGBHCPRSNV-AVRDEDQJSA-N 1 0 390.531 3.549 10 0 GHAERO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C1 ZINC000186631248 883676715 /nfs/dbraw/zinc/67/67/15/883676715.db2.gz SVYPKFLBHXNQTQ-HOTGVXAUSA-N 1 0 387.528 3.544 10 0 GHAERO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCC(Nc2nccs2)CC1 ZINC000187407564 883789347 /nfs/dbraw/zinc/78/93/47/883789347.db2.gz FAJVOPCNYFDPME-UHFFFAOYSA-N 1 0 391.585 3.526 10 0 GHAERO C[NH+](C)[C@H](CNC(=O)N1CC2(CCOCC2)c2ccccc21)c1ccccc1 ZINC000190356979 884069853 /nfs/dbraw/zinc/06/98/53/884069853.db2.gz WOHSPJGFRKOHJR-OAQYLSRUSA-N 1 0 379.504 3.567 10 0 GHAERO O=c1nc(CN2CCC([NH+]3CCCC3)CC2)[nH]c2sc(-c3ccccc3)cc21 ZINC000104079713 885999333 /nfs/dbraw/zinc/99/93/33/885999333.db2.gz BDQKGYWWPUVULD-UHFFFAOYSA-N 1 0 394.544 3.712 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000124876919 886807207 /nfs/dbraw/zinc/80/72/07/886807207.db2.gz IPNNPLQZYIFKTG-UGSOOPFHSA-N 1 0 395.400 3.880 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3ccccc3CCC(F)(F)F)CC2)CCO1 ZINC000125991207 886921733 /nfs/dbraw/zinc/92/17/33/886921733.db2.gz NYLBKPYNGFVNPC-HNNXBMFYSA-N 1 0 399.457 3.899 10 0 GHAERO O=C(Nc1ccc(OC(F)F)c2ncccc12)N1CCC([NH+]2CCCC2)CC1 ZINC000128710307 887217114 /nfs/dbraw/zinc/21/71/14/887217114.db2.gz CVWPNNMZDFNSRT-UHFFFAOYSA-N 1 0 390.434 3.928 10 0 GHAERO C[C@@H]1CC([NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C[C@@H](C)O1 ZINC000130538824 887446859 /nfs/dbraw/zinc/44/68/59/887446859.db2.gz PSTPKTRPNVPGGY-HBUWYVDXSA-N 1 0 384.442 3.742 10 0 GHAERO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(Cl)cc1F ZINC000130830565 887477978 /nfs/dbraw/zinc/47/79/78/887477978.db2.gz BINQEWFKDIPYDY-LIRRHRJNSA-N 1 0 375.875 3.823 10 0 GHAERO C[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000051764129 887783000 /nfs/dbraw/zinc/78/30/00/887783000.db2.gz CXXURDVBDIBRBU-GASCZTMLSA-N 1 0 384.442 3.553 10 0 GHAERO Fc1ccc(-c2noc(CCC[NH2+][C@H](c3cccs3)c3ncc[nH]3)n2)cc1 ZINC000195115437 888648135 /nfs/dbraw/zinc/64/81/35/888648135.db2.gz HTLYOFIWJYAKFW-QGZVFWFLSA-N 1 0 383.452 3.972 10 0 GHAERO C[C@H](Cc1ccccc1Cl)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000245549544 888907224 /nfs/dbraw/zinc/90/72/24/888907224.db2.gz OGIDVFXYSYFPNQ-LZJOCLMNSA-N 1 0 385.939 3.940 10 0 GHAERO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245623868 889084348 /nfs/dbraw/zinc/08/43/48/889084348.db2.gz OKRGZQJIYGFYPN-WVBUVRCRSA-N 1 0 391.515 3.642 10 0 GHAERO Cc1nnc([C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccccc2)[nH]1 ZINC000245718962 889480278 /nfs/dbraw/zinc/48/02/78/889480278.db2.gz OMBWUZNCMBXFOJ-BJESRGMDSA-N 1 0 387.531 3.988 10 0 GHAERO Brc1ccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c2ncccc12 ZINC000245973579 890112234 /nfs/dbraw/zinc/11/22/34/890112234.db2.gz OHWRNZFPMGLIKM-CVEARBPZSA-N 1 0 379.323 3.704 10 0 GHAERO CCOc1cc2c(cc1/C=C/C(=O)N1CC[NH+](C3CCCC3)CC1)O[C@@H](C)C2 ZINC000105902710 890937530 /nfs/dbraw/zinc/93/75/30/890937530.db2.gz LSPLWWIENOXLFI-IJDCCNJMSA-N 1 0 384.520 3.509 10 0 GHAERO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000246354761 891059272 /nfs/dbraw/zinc/05/92/72/891059272.db2.gz IANBCNDAMDZBBQ-MDYRTPRTSA-N 1 0 396.984 3.721 10 0 GHAERO COc1ccc(CCCCCC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000067154350 891144079 /nfs/dbraw/zinc/14/40/79/891144079.db2.gz WYVHEAUWFCGFPI-LJQANCHMSA-N 1 0 388.552 3.510 10 0 GHAERO O=C(c1[nH]c2ccccc2c1Br)N1CCC([NH+]2CCCC2)CC1 ZINC000068365233 891176941 /nfs/dbraw/zinc/17/69/41/891176941.db2.gz ZUHNQHSNYALENI-UHFFFAOYSA-N 1 0 376.298 3.631 10 0 GHAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC(Nc3ccccc3F)CC2)C1 ZINC000074104632 891270157 /nfs/dbraw/zinc/27/01/57/891270157.db2.gz AIIZZCWXUHCYRF-QGZVFWFLSA-N 1 0 376.520 3.532 10 0 GHAERO Cc1onc(-c2ccccn2)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246853270 891316119 /nfs/dbraw/zinc/31/61/19/891316119.db2.gz BOTRDOCPIMSYJH-LPHOPBHVSA-N 1 0 390.487 3.828 10 0 GHAERO COc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1Cl ZINC000247033387 891334981 /nfs/dbraw/zinc/33/49/81/891334981.db2.gz NRFFCIORBFUGFZ-KBXCAEBGSA-N 1 0 388.899 3.776 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N[C@@H]1CCCOc2ccccc21 ZINC000247053350 891337343 /nfs/dbraw/zinc/33/73/43/891337343.db2.gz OQPAVFYWRWHLGB-DUXKGJEZSA-N 1 0 394.519 3.505 10 0 GHAERO CCOc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(C)c1 ZINC000247040868 891337952 /nfs/dbraw/zinc/33/79/52/891337952.db2.gz NXOCGEPHAPESDW-UTKZUKDTSA-N 1 0 382.508 3.821 10 0 GHAERO Cc1cccc(C)c1-n1nnnc1CN1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000247056364 891340379 /nfs/dbraw/zinc/34/03/79/891340379.db2.gz ZMKLOIHTRUSYKM-VQTJNVASSA-N 1 0 395.482 3.506 10 0 GHAERO CCOc1cc(F)ccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247061166 891340613 /nfs/dbraw/zinc/34/06/13/891340613.db2.gz PDXAKXNGXKKTQZ-QAPCUYQASA-N 1 0 386.471 3.652 10 0 GHAERO CC(C)COc1ccc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000247082684 891343031 /nfs/dbraw/zinc/34/30/31/891343031.db2.gz DCSNIVLWTLQURW-WMZHIEFXSA-N 1 0 395.547 3.686 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCOc1ccccc1Cl ZINC000247247059 891358948 /nfs/dbraw/zinc/35/89/48/891358948.db2.gz PDUQMLMJEVPBTN-QFBILLFUSA-N 1 0 387.911 3.531 10 0 GHAERO C[C@@H](CC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)c1cccc(C(F)(F)F)c1 ZINC000247117466 891370812 /nfs/dbraw/zinc/37/08/12/891370812.db2.gz PMFRHLYPBLVJPJ-JKSUJKDBSA-N 1 0 398.469 3.911 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N1CCC[C@@H]1c1ccccc1 ZINC000247573946 891388237 /nfs/dbraw/zinc/38/82/37/891388237.db2.gz XESBZJPLHVYBBK-STZQEDGTSA-N 1 0 378.520 3.839 10 0 GHAERO Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248447176 891438268 /nfs/dbraw/zinc/43/82/68/891438268.db2.gz GNTKDYZIWKKKIC-ORYQWCPZSA-N 1 0 380.536 3.643 10 0 GHAERO C[C@H]([NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)C(=O)N1CCc2sccc2C1 ZINC000248790213 891470103 /nfs/dbraw/zinc/47/01/03/891470103.db2.gz XIXWAJZZOUBOJA-SQGPQFPESA-N 1 0 384.545 3.779 10 0 GHAERO COc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1OC(C)C ZINC000248905470 891480407 /nfs/dbraw/zinc/48/04/07/891480407.db2.gz YFUXYISTNNTACX-MSOLQXFVSA-N 1 0 375.513 3.961 10 0 GHAERO CC(=O)OCCCc1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000249293873 891513244 /nfs/dbraw/zinc/51/32/44/891513244.db2.gz JUWGBGPWITYZII-RTWAWAEBSA-N 1 0 387.524 3.661 10 0 GHAERO COc1ccc(-c2noc(CN3CCC[C@H]3C[C@@H](O)c3cccs3)n2)cc1 ZINC000252652226 891717261 /nfs/dbraw/zinc/71/72/61/891717261.db2.gz IWWKSURAFMYSSU-DOTOQJQBSA-N 1 0 385.489 3.895 10 0 GHAERO Cc1coc(-c2cc(NC(=O)N3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)ccc2C)n1 ZINC000333136561 899989984 /nfs/dbraw/zinc/98/99/84/899989984.db2.gz KHKBHZIEPMNUNW-UXHICEINSA-N 1 0 398.507 3.709 10 0 GHAERO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2ccc(F)cc2C(F)(F)F)CC1 ZINC000333136697 899990542 /nfs/dbraw/zinc/99/05/42/899990542.db2.gz KIVXNRXFPSNZKN-GOEBONIOSA-N 1 0 389.393 3.595 10 0 GHAERO O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333158078 900002420 /nfs/dbraw/zinc/00/24/20/900002420.db2.gz NIWJQZQMZXQJOW-NRFANRHFSA-N 1 0 398.551 3.699 10 0 GHAERO Cc1cc(Br)cc(NC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000333252305 901941885 /nfs/dbraw/zinc/94/18/85/901941885.db2.gz CRAOZIMLTTXSNZ-SJORKVTESA-N 1 0 396.329 3.508 10 0 GHAERO O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)N1CCC([NH2+]CC2CC2)CC1 ZINC000333360558 902034819 /nfs/dbraw/zinc/03/48/19/902034819.db2.gz LAIFJZLMDOGOSA-FQEVSTJZSA-N 1 0 383.536 3.997 10 0 GHAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000333736994 902302312 /nfs/dbraw/zinc/30/23/12/902302312.db2.gz XAGTWXRJQRKWEY-WMLDXEAASA-N 1 0 375.904 3.595 10 0 GHAERO [NH3+][C@@H]1CC[C@H]2CN(c3nc(-c4cccnc4)nc4sc5c(c43)CCCC5)C[C@H]12 ZINC000333879939 902392475 /nfs/dbraw/zinc/39/24/75/902392475.db2.gz DEKMUAFYIYAMBN-BHYGNILZSA-N 1 0 391.544 3.806 10 0 GHAERO CCCCOCCC[NH2+]Cc1cccc(Oc2nnnn2-c2ccccc2)c1 ZINC000013720181 210085151 /nfs/dbraw/zinc/08/51/51/210085151.db2.gz QCIZOGCEWCYQAN-UHFFFAOYSA-N 1 0 381.480 3.751 10 0 GHAERO CC[C@@H]1CCCC[C@H]1OC[C@@H](O)C[NH2+]Cc1ccc(Br)s1 ZINC000221122511 211787862 /nfs/dbraw/zinc/78/78/62/211787862.db2.gz CQAGKVIADUETEZ-VNHYZAJKSA-N 1 0 376.360 3.947 10 0 GHAERO COC(=O)c1cccc(NC(=O)c2cccc3[nH]cc(C[NH+]4CCCC4)c32)c1 ZINC000096363694 211335910 /nfs/dbraw/zinc/33/59/10/211335910.db2.gz GGNIQQVTWKBPBY-UHFFFAOYSA-N 1 0 377.444 3.803 10 0 GHAERO CC(C)NC(=O)C[C@@H]1CC2(CC[NH+](CC3CCOCC3)CC2)c2ccccc21 ZINC000096052653 211297077 /nfs/dbraw/zinc/29/70/77/211297077.db2.gz RTIMXHFWGFWEDZ-HXUWFJFHSA-N 1 0 384.564 3.849 10 0 GHAERO CC[NH+](CC)CCNC(=O)c1cc2occc2c(Nc2ccc(OC)cc2)n1 ZINC000085651118 211177982 /nfs/dbraw/zinc/17/79/82/211177982.db2.gz OUYJMVJEZBJURF-UHFFFAOYSA-N 1 0 382.464 3.652 10 0 GHAERO Cc1ccc(COc2ccc(Br)cc2C[NH2+]CCN(C)C)cc1 ZINC000020874644 210365306 /nfs/dbraw/zinc/36/53/06/210365306.db2.gz IOAZJNOSWYQPEI-UHFFFAOYSA-N 1 0 377.326 3.988 10 0 GHAERO C[C@@H]([NH3+])COc1c(Br)cc(Br)cc1Br ZINC000020518887 210344500 /nfs/dbraw/zinc/34/45/00/210344500.db2.gz DYAKWFPJKHBAHT-RXMQYKEDSA-N 1 0 387.897 3.700 10 0 GHAERO O=C(c1ccc(NCc2ccccn2)nc1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000011753633 570433224 /nfs/dbraw/zinc/43/32/24/570433224.db2.gz UJEWCRSERYKGEF-UHFFFAOYSA-N 1 0 393.535 3.569 10 0 GHAERO C[N@H+](CCc1ccccc1)[C@H]1CCCN(C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000011878338 570590354 /nfs/dbraw/zinc/59/03/54/570590354.db2.gz HCKWQPFZXVKZMG-IBGZPJMESA-N 1 0 381.476 3.586 10 0 GHAERO COc1cccc(N(C(C)=O)C2CC[NH+](Cc3cc(OC)cc(OC)c3)CC2)c1 ZINC000037570655 571032702 /nfs/dbraw/zinc/03/27/02/571032702.db2.gz CTPRZGRHONZCAQ-UHFFFAOYSA-N 1 0 398.503 3.730 10 0 GHAERO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000245842844 844084530 /nfs/dbraw/zinc/08/45/30/844084530.db2.gz HUAHNARCYDBBFR-GCJKJVERSA-N 1 0 395.551 3.841 10 0 GHAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000246985318 835988963 /nfs/dbraw/zinc/98/89/63/835988963.db2.gz YGSZWGAJSSXCHY-MYDTUXCISA-N 1 0 384.564 3.798 10 0 GHAERO CC(C)c1c(C(=O)N2CCC([NH+]3CCCC3)CC2)cnn1-c1ccc(F)cc1 ZINC000110677968 840602733 /nfs/dbraw/zinc/60/27/33/840602733.db2.gz KDIYFGAIXFSZFJ-UHFFFAOYSA-N 1 0 384.499 3.835 10 0 GHAERO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCOc3ccccc32)[C@@H]1c1cccs1 ZINC000332889584 844610315 /nfs/dbraw/zinc/61/03/15/844610315.db2.gz CLVKOUKIRHUUAV-OXFYSEKESA-N 1 0 385.533 3.954 10 0 GHAERO CC(C)c1cc(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)c2cnn(C(C)C)c2n1 ZINC000408184456 841980675 /nfs/dbraw/zinc/98/06/75/841980675.db2.gz YBORBHRJJNPUIK-SJORKVTESA-N 1 0 383.540 3.834 10 0 GHAERO CCc1nccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000247543519 842869942 /nfs/dbraw/zinc/86/99/42/842869942.db2.gz DFHSNSGEOXQCIT-JNEKLRAESA-N 1 0 384.568 3.556 10 0 GHAERO Cc1cc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000329384571 861358404 /nfs/dbraw/zinc/35/84/04/861358404.db2.gz RRUWHPXPIZYTEY-INIZCTEOSA-N 1 0 393.413 3.511 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cccc(-c2ncco2)c1 ZINC000152322428 846684417 /nfs/dbraw/zinc/68/44/17/846684417.db2.gz WUTDYQUSZVJFTJ-JXFKEZNVSA-N 1 0 391.475 3.769 10 0 GHAERO Cc1nc(CC(C)C)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000155227083 849482878 /nfs/dbraw/zinc/48/28/78/849482878.db2.gz ZXGULEAHCSZAIU-YJBOKZPZSA-N 1 0 386.565 3.685 10 0 GHAERO Cc1c([C@H](C)[NH2+]C2CCN(c3ncccn3)CC2)cnn1-c1cccc(Cl)c1 ZINC000155878955 849674869 /nfs/dbraw/zinc/67/48/69/849674869.db2.gz XKEOEZWEAHGSQR-HNNXBMFYSA-N 1 0 396.926 3.944 10 0 GHAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 ZINC000329746437 862286427 /nfs/dbraw/zinc/28/64/27/862286427.db2.gz YUUYBGYTPLKQGK-CRAIPNDOSA-N 1 0 382.508 3.634 10 0 GHAERO COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccccc3OC)[N@@H+]3CCC[C@@]23C1=O ZINC000012458124 862542791 /nfs/dbraw/zinc/54/27/91/862542791.db2.gz FQVBCOPWAVYPFV-WXVUKLJWSA-N 1 0 392.499 3.642 10 0 GHAERO CCc1noc([C@H](C)[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)n1 ZINC000330183125 862643200 /nfs/dbraw/zinc/64/32/00/862643200.db2.gz POLCOHVJGNFORL-CMPZQBNXSA-N 1 0 379.464 3.797 10 0 GHAERO CC1CC[NH+]([C@@H](CNC(=O)N2CCC(c3cc[nH]n3)CC2)c2ccccc2)CC1 ZINC000157360729 857984000 /nfs/dbraw/zinc/98/40/00/857984000.db2.gz KZSMBMVZGDZBIQ-QFIPXVFZSA-N 1 0 395.551 3.772 10 0 GHAERO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]3c3cnn(C)c3)cc2)C1 ZINC000171461023 860425577 /nfs/dbraw/zinc/42/55/77/860425577.db2.gz YXVIVCFUFFUPGN-XMSQKQJNSA-N 1 0 395.551 3.699 10 0 GHAERO CCn1cc(C[N@@H+]2CCCN(c3nc(C)nc4sc(C)c(C)c43)CC2)cn1 ZINC000329230608 861176992 /nfs/dbraw/zinc/17/69/92/861176992.db2.gz KDWZFQVGUAHXHL-UHFFFAOYSA-N 1 0 384.553 3.545 10 0 GHAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000103113888 863874025 /nfs/dbraw/zinc/87/40/25/863874025.db2.gz QIWCALOYFMSFHV-UHFFFAOYSA-N 1 0 384.568 3.597 10 0 GHAERO Cc1ccc(CN(CC[NH+](C)C)C(=O)NCCc2c[nH]c3cccc(C)c23)o1 ZINC000103317645 863956479 /nfs/dbraw/zinc/95/64/79/863956479.db2.gz XYBGVILOOJIWKR-UHFFFAOYSA-N 1 0 382.508 3.694 10 0 GHAERO O=C(NCc1cnn(-c2ccccc2)c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103301573 866038078 /nfs/dbraw/zinc/03/80/78/866038078.db2.gz XSFUYDYTAVGTML-FQEVSTJZSA-N 1 0 395.551 3.670 10 0 GHAERO C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000172350510 882185315 /nfs/dbraw/zinc/18/53/15/882185315.db2.gz XKSNVSYRXZTCGV-JKSUJKDBSA-N 1 0 398.469 3.596 10 0 GHAERO O=C(Nc1ccc(OC(F)F)c2ncccc12)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105013984 870608378 /nfs/dbraw/zinc/60/83/78/870608378.db2.gz XUJRGQMSFHRPLB-CYBMUJFWSA-N 1 0 376.407 3.538 10 0 GHAERO Cc1cccc2[nH]c(CCC(=O)NC3CC[NH+](CCc4ccccc4)CC3)nc21 ZINC000175472217 882584768 /nfs/dbraw/zinc/58/47/68/882584768.db2.gz OMABEPXRAYOQPM-UHFFFAOYSA-N 1 0 390.531 3.627 10 0 GHAERO COc1ccccc1[C@H](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000116250473 873370211 /nfs/dbraw/zinc/37/02/11/873370211.db2.gz KPOOWBXMNBOEIG-OPYAIIAOSA-N 1 0 381.520 3.611 10 0 GHAERO CC(C)[C@@H](C)NC(=O)C1CC[NH+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000104101331 874122878 /nfs/dbraw/zinc/12/28/78/874122878.db2.gz OFPCZMPXKWTTPQ-MSOLQXFVSA-N 1 0 395.588 3.506 10 0 GHAERO CC(C)[C@H](C)NC(=O)C1CC[NH+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000104101346 874122887 /nfs/dbraw/zinc/12/28/87/874122887.db2.gz OFPCZMPXKWTTPQ-ZWKOTPCHSA-N 1 0 395.588 3.506 10 0 GHAERO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1cc(Cl)ccc1OC(F)F ZINC000178055305 882861159 /nfs/dbraw/zinc/86/11/59/882861159.db2.gz NSIMRSZCPNJEKR-NSHDSACASA-N 1 0 379.798 3.768 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc(CCC(F)(F)F)cc3)CC2)CCO1 ZINC000178556700 882903026 /nfs/dbraw/zinc/90/30/26/882903026.db2.gz CHRWIMBQNGNOJR-OAHLLOKOSA-N 1 0 384.442 3.507 10 0 GHAERO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2c[nH]nc2-c2ccccc2)CC1 ZINC000179502478 883005617 /nfs/dbraw/zinc/00/56/17/883005617.db2.gz FZCDUNFBCQQXJF-INIZCTEOSA-N 1 0 390.491 3.819 10 0 GHAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3sc(N(C)C)nc3-c3ccccc3)[C@H]2C1 ZINC000180817552 883099916 /nfs/dbraw/zinc/09/99/16/883099916.db2.gz SDDBXQPVAWVZIO-SQNIBIBYSA-N 1 0 387.549 3.644 10 0 GHAERO O=C(C1CC[NH+]([C@H]2Cc3ccccc3[C@H]2O)CC1)N(Cc1ccccc1)C1CC1 ZINC000182924687 883250635 /nfs/dbraw/zinc/25/06/35/883250635.db2.gz RVYQRHZJQARXIB-BJKOFHAPSA-N 1 0 390.527 3.548 10 0 GHAERO CC(C)c1ccc(NC(=O)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)cc1F ZINC000184434169 883334998 /nfs/dbraw/zinc/33/49/98/883334998.db2.gz ICYHBKQAFMRGIS-SFHVURJKSA-N 1 0 376.520 3.583 10 0 GHAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c(OC)c1 ZINC000184537712 883353932 /nfs/dbraw/zinc/35/39/32/883353932.db2.gz LBGSMQSNPGSXEV-LHSJRXKWSA-N 1 0 386.467 3.987 10 0 GHAERO O=C(C1CC[NH+](C[C@H](O)c2ccc(F)cc2Cl)CC1)N1CCCCCC1 ZINC000184947839 883407988 /nfs/dbraw/zinc/40/79/88/883407988.db2.gz CDBHAZLIGGUQOU-IBGZPJMESA-N 1 0 382.907 3.627 10 0 GHAERO COc1ccccc1CCN(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000105068621 883618352 /nfs/dbraw/zinc/61/83/52/883618352.db2.gz NMPJXSOYGYPFRS-NRFANRHFSA-N 1 0 381.520 3.716 10 0 GHAERO C[C@@H](c1ccccc1)N1CCC([NH2+][C@H]2CCS(=O)(=O)c3ccccc32)CC1 ZINC000186196583 883618794 /nfs/dbraw/zinc/61/87/94/883618794.db2.gz DDUDMCUQLJFJGD-UWJYYQICSA-N 1 0 384.545 3.720 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@@H]3C[C@@H]3c3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC000110816464 886213113 /nfs/dbraw/zinc/21/31/13/886213113.db2.gz XTOXEYJVCOESLI-NIKGAXFTSA-N 1 0 396.453 3.521 10 0 GHAERO O=C(NCCCC[NH+]1CCCC1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000112439784 886262718 /nfs/dbraw/zinc/26/27/18/886262718.db2.gz ZHUWXYHXKWLFNW-LJQANCHMSA-N 1 0 397.523 3.849 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCc1ccc(Cl)s1 ZINC000116250890 886358900 /nfs/dbraw/zinc/35/89/00/886358900.db2.gz FABBPKUHJGCMLO-PBHICJAKSA-N 1 0 377.941 3.756 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cccc2cccnc21 ZINC000116412137 886361519 /nfs/dbraw/zinc/36/15/19/886361519.db2.gz UZNXAGQOWPKKQM-APWZRJJASA-N 1 0 375.476 3.662 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCC(C)(C)c1cccs1 ZINC000116552463 886366137 /nfs/dbraw/zinc/36/61/37/886366137.db2.gz NOYMMNNMNVGVON-WMZOPIPTSA-N 1 0 386.565 3.631 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(Cc1cccs1)C1CC1 ZINC000116569492 886367292 /nfs/dbraw/zinc/36/72/92/886367292.db2.gz ZBESHXHPJRRGFK-UZLBHIALSA-N 1 0 384.549 3.728 10 0 GHAERO COc1ccc([C@@H](C)NC(=O)NC2CCN(c3cccc(C)n3)CC2)cc1F ZINC000116934235 886374275 /nfs/dbraw/zinc/37/42/75/886374275.db2.gz JAHDPNQCWWTONP-OAHLLOKOSA-N 1 0 386.471 3.567 10 0 GHAERO Cc1coc(-c2ccc(C)c(NC(=O)N3CCC([N@H+]4CCO[C@@H](C)C4)CC3)c2)n1 ZINC000120998313 886535635 /nfs/dbraw/zinc/53/56/35/886535635.db2.gz OLJJYECWXKHXQD-KRWDZBQOSA-N 1 0 398.507 3.675 10 0 GHAERO Cc1nn(-c2ccccc2)c(C)c1[C@@H](C)[NH2+]CCc1nnc2n1CCCCC2 ZINC000126555819 886981140 /nfs/dbraw/zinc/98/11/40/886981140.db2.gz SQUBNBYJPNGVER-MRXNPFEDSA-N 1 0 378.524 3.700 10 0 GHAERO O=C(C1CC[NH+](C[C@@H](O)c2ccccc2C(F)(F)F)CC1)N1CCCCCC1 ZINC000060465813 888471014 /nfs/dbraw/zinc/47/10/14/888471014.db2.gz HSQQQFYLCKUHEW-LJQANCHMSA-N 1 0 398.469 3.853 10 0 GHAERO O=C(C1CC[NH+](C[C@H](O)c2ccccc2C(F)(F)F)CC1)N1CCCCCC1 ZINC000193739748 888519908 /nfs/dbraw/zinc/51/99/08/888519908.db2.gz HSQQQFYLCKUHEW-IBGZPJMESA-N 1 0 398.469 3.853 10 0 GHAERO Cc1ccc(NC2CC[NH+](Cc3cccnc3)CC2)cc1C(=O)N(C)C(C)C ZINC000194233924 888569563 /nfs/dbraw/zinc/56/95/63/888569563.db2.gz BKIAUEUYWIBINP-UHFFFAOYSA-N 1 0 380.536 3.947 10 0 GHAERO Fc1ccc(-c2noc(CCC[NH2+][C@@H](c3cccs3)c3ncc[nH]3)n2)cc1 ZINC000195115421 888647614 /nfs/dbraw/zinc/64/76/14/888647614.db2.gz HTLYOFIWJYAKFW-KRWDZBQOSA-N 1 0 383.452 3.972 10 0 GHAERO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N[C@H]2CC[C@H](O)CC2)cc1 ZINC000245533518 888854368 /nfs/dbraw/zinc/85/43/68/888854368.db2.gz YGORJWJRHOFUNR-MEMLXQNLSA-N 1 0 381.520 3.518 10 0 GHAERO C[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1cccnc1 ZINC000245643445 889146332 /nfs/dbraw/zinc/14/63/32/889146332.db2.gz ARXOLDXQLOCPNI-AXHNFQJDSA-N 1 0 375.875 3.787 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(F)c(Cl)cc1F ZINC000245708356 889358532 /nfs/dbraw/zinc/35/85/32/889358532.db2.gz SHTZUFPJURBSJI-KPZWWZAWSA-N 1 0 379.838 3.654 10 0 GHAERO C[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(O)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245736029 889567970 /nfs/dbraw/zinc/56/79/70/889567970.db2.gz UTELNCOXDUQUMN-FOIQADDNSA-N 1 0 376.859 3.536 10 0 GHAERO C[N@@H+]1CC[C@H](CNC(=O)CCc2ccncc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245758976 889657891 /nfs/dbraw/zinc/65/78/91/889657891.db2.gz YWKCNDUGRGXVHM-OXQOHEQNSA-N 1 0 375.875 3.616 10 0 GHAERO O=C1CC[C@@H]2C[N@H+](C[C@H](O)c3ccc(Cl)cc3Cl)CC[C@@H]2N1C1CC1 ZINC000245763760 889667595 /nfs/dbraw/zinc/66/75/95/889667595.db2.gz IYPZSQXYVZCMIT-UUWFMWQGSA-N 1 0 383.319 3.502 10 0 GHAERO COc1cc(F)c(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1OC ZINC000246408591 891229951 /nfs/dbraw/zinc/22/99/51/891229951.db2.gz JEAFZWVAWUOMQU-YJYMSZOUSA-N 1 0 392.496 3.717 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N1CCC[C@@H]1c1cccs1 ZINC000246825044 891312148 /nfs/dbraw/zinc/31/21/48/891312148.db2.gz CEWZDVSPTCULNF-BHIYHBOVSA-N 1 0 384.549 3.900 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(C)CCCc1ccccc1 ZINC000246863323 891316631 /nfs/dbraw/zinc/31/66/31/891316631.db2.gz FCXOBVFUJCTCFR-SIKLNZKXSA-N 1 0 380.536 3.566 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCCc1cc2ccccc2o1 ZINC000246862120 891317015 /nfs/dbraw/zinc/31/70/15/891317015.db2.gz IYDCJIOMOZMAHF-DYESRHJHSA-N 1 0 392.503 3.580 10 0 GHAERO Cn1cc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)c(-c2cccnc2)n1 ZINC000246894977 891321860 /nfs/dbraw/zinc/32/18/60/891321860.db2.gz UEEWBKUAUNBMBS-WOJBJXKFSA-N 1 0 380.492 3.943 10 0 GHAERO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000247015900 891333419 /nfs/dbraw/zinc/33/34/19/891333419.db2.gz LWICMELKVCSKLH-RTBURBONSA-N 1 0 386.517 3.867 10 0 GHAERO Cc1nnc(-c2ccccc2C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)o1 ZINC000247072346 891341293 /nfs/dbraw/zinc/34/12/93/891341293.db2.gz QFWYQKDXULPXMX-AEFFLSMTSA-N 1 0 382.508 3.772 10 0 GHAERO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1OC(=O)c2ccccc21 ZINC000247072488 891341371 /nfs/dbraw/zinc/34/13/71/891341371.db2.gz YMWKTYHPRWTTLJ-KNQAVFIVSA-N 1 0 392.499 3.659 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1c[nH]cc1-c1ccc(F)cc1 ZINC000246932860 891346328 /nfs/dbraw/zinc/34/63/28/891346328.db2.gz ZNCGZVRAVJKTGT-OPAMFIHVSA-N 1 0 392.478 3.856 10 0 GHAERO COc1cccc([C@H](C)CC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000246930702 891346892 /nfs/dbraw/zinc/34/68/92/891346892.db2.gz MOLPOBXGEPOBDS-KGVIQGDOSA-N 1 0 381.520 3.611 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000247449887 891377440 /nfs/dbraw/zinc/37/74/40/891377440.db2.gz OVCQVIBCVGYKIO-SPTRTZJMSA-N 1 0 389.543 3.702 10 0 GHAERO COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1 ZINC000247998911 891405802 /nfs/dbraw/zinc/40/58/02/891405802.db2.gz KEORKOMDPQBHSE-SELNLUPBSA-N 1 0 383.536 3.668 10 0 GHAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccccc3NC(=O)c3cccs3)CC[C@H]21 ZINC000248129111 891410432 /nfs/dbraw/zinc/41/04/32/891410432.db2.gz OGJRRGQYKIANJW-CRAIPNDOSA-N 1 0 383.517 3.557 10 0 GHAERO c1ccc(C[N@H+]2CCC[C@H]3CN(Cc4nnc(C5CC5)n4C4CC4)CC[C@H]32)cc1 ZINC000248385261 891422501 /nfs/dbraw/zinc/42/25/01/891422501.db2.gz HSDXXLVLGKCQHT-RBBKRZOGSA-N 1 0 391.563 3.977 10 0 GHAERO COc1ccc([C@@H]2CCCN2C(=O)CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000248570955 891430956 /nfs/dbraw/zinc/43/09/56/891430956.db2.gz MABXSHSXSJMSRK-LEDOBFOHSA-N 1 0 399.579 3.601 10 0 GHAERO O=C1O[C@@H](C[N@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)CC12CCC2 ZINC000248812055 891471328 /nfs/dbraw/zinc/47/13/28/891471328.db2.gz CUPYIWGOGVWHSC-NVXWUHKLSA-N 1 0 385.439 3.541 10 0 GHAERO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cn(C)c2ccccc12 ZINC000249291356 891511782 /nfs/dbraw/zinc/51/17/82/891511782.db2.gz KWXMLZITHQCSMS-NPPFBWRTSA-N 1 0 390.531 3.704 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCc1ccc(Cl)cc1F ZINC000252032052 891668603 /nfs/dbraw/zinc/66/86/03/891668603.db2.gz ZQWKYNINHLHUHY-IFXJQAMLSA-N 1 0 390.890 3.584 10 0 GHAERO [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc(Br)c2)C[C@H]1c1ccccc1 ZINC000261741469 892094707 /nfs/dbraw/zinc/09/47/07/892094707.db2.gz MTLWDZKMNSLVCB-GTAWCEEGSA-N 1 0 399.332 3.754 10 0 GHAERO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(c2ncc3n2CCCC3)CC1)c1ccccc1 ZINC000333010500 899890412 /nfs/dbraw/zinc/89/04/12/899890412.db2.gz FSUOEKWMSHRAJT-ROUUACIJSA-N 1 0 380.536 3.665 10 0 GHAERO CC1(C)CCc2ccccc2[C@@H]1NC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333378236 902047601 /nfs/dbraw/zinc/04/76/01/902047601.db2.gz NGMKMRLEJCCEJZ-ACRUOGEOSA-N 1 0 385.552 3.628 10 0 GHAERO COc1cccc(CN2CCC[C@@]3(CC[N@@H+](C4CCSCC4)C3)C2)c1OC ZINC000014974948 210139064 /nfs/dbraw/zinc/13/90/64/210139064.db2.gz LIFWEMFSBOPOAB-JOCHJYFZSA-N 1 0 390.593 3.887 10 0 GHAERO COc1cc(C[NH2+]Cc2cccnc2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000013731361 210086447 /nfs/dbraw/zinc/08/64/47/210086447.db2.gz VLFWYSVTMDCIPL-UHFFFAOYSA-N 1 0 391.471 3.706 10 0 GHAERO C[C@H](CCN(CCC[NH3+])S(=O)(=O)c1cccc2cnccc21)c1ccccc1 ZINC000090609609 209236470 /nfs/dbraw/zinc/23/64/70/209236470.db2.gz IWKJYDOORQLICX-GOSISDBHSA-N 1 0 397.544 3.768 10 0 GHAERO COc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1OC ZINC000004214580 209231545 /nfs/dbraw/zinc/23/15/45/209231545.db2.gz PCIWCYUKRZFCMF-YQQQUEKLSA-N 1 0 380.488 3.629 10 0 in-vitro GHAERO Fc1cc2cccnc2c(C[NH2+]C[C@H]2CCc3nc(C(F)(F)F)cn3C2)c1 ZINC000328638143 209151325 /nfs/dbraw/zinc/15/13/25/209151325.db2.gz OYPBNFAXAQYRHY-GFCCVEGCSA-N 1 0 378.373 3.941 10 0 GHAERO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3cc(C)c(C)o3)C2)CC1 ZINC000020534281 210346919 /nfs/dbraw/zinc/34/69/19/210346919.db2.gz DHFXSQANPLSCRA-HXUWFJFHSA-N 1 0 383.536 3.692 10 0 GHAERO CCc1cc(OC)c(OC)cc1[C@@H]1CC2(OCCO2)[C@H]2CCCC[C@@H]2[N@@H+]1C ZINC000048524030 570250868 /nfs/dbraw/zinc/25/08/68/570250868.db2.gz NDHIZGXRKXDSMH-FHWLQOOXSA-N 1 0 375.509 3.945 10 0 GHAERO COc1cc(Br)cc(C[NH2+]C[C@H](C)O)c1OCc1ccccc1 ZINC000010474570 570571260 /nfs/dbraw/zinc/57/12/60/570571260.db2.gz PDLHGGOFYCPPJG-ZDUSSCGKSA-N 1 0 380.282 3.507 10 0 GHAERO COCC[NH2+]Cc1cc(Br)cc(OC)c1OCc1ccccc1 ZINC000010475320 570790956 /nfs/dbraw/zinc/79/09/56/570790956.db2.gz MUIGNNFEJUTFMB-UHFFFAOYSA-N 1 0 380.282 3.773 10 0 GHAERO CCOc1ccccc1C[NH+]1CCC(OC)(c2nc(-c3ccccn3)no2)CC1 ZINC000565848623 570795886 /nfs/dbraw/zinc/79/58/86/570795886.db2.gz FVIRCONIZNBRRX-UHFFFAOYSA-N 1 0 394.475 3.668 10 0 GHAERO Cc1cc(N2CCC[C@@H]([NH2+][C@@H]3CCSc4cc(C)c(C)cc43)C2=O)n(C)n1 ZINC000187464341 835417446 /nfs/dbraw/zinc/41/74/46/835417446.db2.gz VUSULIGGIMVSRZ-QZTJIDSGSA-N 1 0 384.549 3.667 10 0 GHAERO Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCSc4cc(C)c(C)cc43)C2=O)n(C)n1 ZINC000187464370 835417526 /nfs/dbraw/zinc/41/75/26/835417526.db2.gz VUSULIGGIMVSRZ-MSOLQXFVSA-N 1 0 384.549 3.667 10 0 GHAERO C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cc(F)cc(Br)c3)n1)OC2 ZINC000329619550 835435805 /nfs/dbraw/zinc/43/58/05/835435805.db2.gz TYLBXVVDGHMBDY-BBRMVZONSA-N 1 0 382.233 3.564 10 0 GHAERO Cc1cc(Br)cc(-c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)c1 ZINC000329654256 835538704 /nfs/dbraw/zinc/53/87/04/835538704.db2.gz FFUXWYBNXJEPDH-PBHICJAKSA-N 1 0 378.270 3.733 10 0 GHAERO Cc1c(-c2ccccc2)oc2c(C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)cccc2c1=O ZINC000248637114 835867027 /nfs/dbraw/zinc/86/70/27/835867027.db2.gz QPFPFXAFDBBUKK-VDGAXYAQSA-N 1 0 388.467 3.578 10 0 GHAERO CCc1nccn1[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000332885523 836860977 /nfs/dbraw/zinc/86/09/77/836860977.db2.gz PPCQWFVWOGSGJT-SESVDKBCSA-N 1 0 395.551 3.628 10 0 GHAERO C[C@@H]1C[NH+](CC2CCN(C(=O)Nc3nc4ccccc4s3)CC2)C[C@@H](C)O1 ZINC000407990351 838434086 /nfs/dbraw/zinc/43/40/86/838434086.db2.gz NKZLZDZQSMXXJN-HUUCEWRRSA-N 1 0 388.537 3.649 10 0 GHAERO O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000246487854 841742774 /nfs/dbraw/zinc/74/27/74/841742774.db2.gz RYMJOXWZUMWMON-IAGOWNOFSA-N 1 0 393.915 3.600 10 0 GHAERO COc1ccc([C@@H]2CCCCCN2C(=O)CN2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000328959197 843199846 /nfs/dbraw/zinc/19/98/46/843199846.db2.gz OWWYDQMSODKPPE-YADHBBJMSA-N 1 0 396.535 3.710 10 0 GHAERO COc1ccc([C@@H](CNC(=O)/C=C\c2ncccc2C)[NH+]2CCCCC2)cc1 ZINC000588451412 843290744 /nfs/dbraw/zinc/29/07/44/843290744.db2.gz ZOUPFFHVPJRIAY-OTDUKCBNSA-N 1 0 379.504 3.755 10 0 GHAERO Cc1cc(-c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)ccc1Br ZINC000329615605 861778883 /nfs/dbraw/zinc/77/88/83/861778883.db2.gz SFSBPHCLJJLGMY-RHSMWYFYSA-N 1 0 378.270 3.733 10 0 GHAERO COc1c(C)cc(CN(C)C(=O)NCc2ccccc2OCC[NH+](C)C)cc1C ZINC000101609138 851727530 /nfs/dbraw/zinc/72/75/30/851727530.db2.gz NYPYNCHMAVWWRL-UHFFFAOYSA-N 1 0 399.535 3.594 10 0 GHAERO COc1ccc([C@@H]2CCCCCN2C(=O)C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)cc1 ZINC000328874317 854593445 /nfs/dbraw/zinc/59/34/45/854593445.db2.gz FNPREQLTQPJYAL-ZRCGQRJVSA-N 1 0 399.535 3.626 10 0 GHAERO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(-c3ccc(F)cc3)c2)C[C@@H]1C ZINC000330153075 862619298 /nfs/dbraw/zinc/61/92/98/862619298.db2.gz WZSJCMBSEAATEK-QPCWVVJSSA-N 1 0 398.526 3.945 10 0 GHAERO C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(-c3ccc(F)cc3)c2)[C@@H](C)C1 ZINC000330153077 862620028 /nfs/dbraw/zinc/62/00/28/862620028.db2.gz WZUJKUREMAFBMI-JHNRIYHNSA-N 1 0 398.526 3.945 10 0 GHAERO Cc1ccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1NC(=O)Nc1ccccc1 ZINC000133619466 858814051 /nfs/dbraw/zinc/81/40/51/858814051.db2.gz NQTKDPSZHXTLOK-PXNSSMCTSA-N 1 0 392.503 3.948 10 0 GHAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000252443915 860483298 /nfs/dbraw/zinc/48/32/98/860483298.db2.gz QJOOJENKZRNEGC-UZLBHIALSA-N 1 0 378.476 3.639 10 0 GHAERO COCc1cc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)nc(C(C)(C)C)n1 ZINC000301775776 865532175 /nfs/dbraw/zinc/53/21/75/865532175.db2.gz GMNLXYIDJRHEFR-APWZRJJASA-N 1 0 383.540 3.638 10 0 GHAERO CCc1c(C)[nH+]c2ccccc2c1NC1CCN(C(=O)c2cnccn2)CC1 ZINC000302033047 865677294 /nfs/dbraw/zinc/67/72/94/865677294.db2.gz KUXVOBTYHBLUJL-UHFFFAOYSA-N 1 0 375.476 3.612 10 0 GHAERO C[C@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ccc(Br)cc1F ZINC000154071873 867652632 /nfs/dbraw/zinc/65/26/32/867652632.db2.gz ILEZVEKFEWRHMT-LBPRGKRZSA-N 1 0 379.277 3.698 10 0 GHAERO Cc1nc(COc2ccc(/C=C/C(=O)N3CC[C@H]([NH+]4CCCC4)C3)cc2)cs1 ZINC000171444471 882126598 /nfs/dbraw/zinc/12/65/98/882126598.db2.gz AELHGZMNCGINKH-ZGBFETHSSA-N 1 0 397.544 3.740 10 0 GHAERO CC[NH+]1CCN(c2ccc(C(=O)N3CCC(c4nc(C)cs4)CC3)cc2)CC1 ZINC000172768077 882306687 /nfs/dbraw/zinc/30/66/87/882306687.db2.gz YMMGNHLRAARDRZ-UHFFFAOYSA-N 1 0 398.576 3.613 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3ccc(CC(F)(F)F)cc3)CC2)CCO1 ZINC000173653598 882390055 /nfs/dbraw/zinc/39/00/55/882390055.db2.gz HDRDSAVFPLRZKM-CQSZACIVSA-N 1 0 385.430 3.508 10 0 GHAERO Cc1nc2c(cnn2C)c(N2CC[NH+]([C@H](C)c3ccc4ccccc4c3)CC2)n1 ZINC000106169830 870616578 /nfs/dbraw/zinc/61/65/78/870616578.db2.gz ZBGYYWWMBWSJQL-MRXNPFEDSA-N 1 0 386.503 3.708 10 0 GHAERO Cc1ccc2nc(C)c(C(=O)NCC3([NH+]4CCCCC4)CCOCC3)cc2c1 ZINC000109982167 870649844 /nfs/dbraw/zinc/64/98/44/870649844.db2.gz UMSJFSNROCMTQA-UHFFFAOYSA-N 1 0 381.520 3.617 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3ccccc3CC(F)(F)F)CC2)CCO1 ZINC000174004326 882448107 /nfs/dbraw/zinc/44/81/07/882448107.db2.gz PBDLNZAUIBIDDV-CQSZACIVSA-N 1 0 385.430 3.508 10 0 GHAERO COc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ccc1OC(C)C ZINC000116245336 873366506 /nfs/dbraw/zinc/36/65/06/873366506.db2.gz OQQTVWRVQSSDDV-PXNSSMCTSA-N 1 0 397.519 3.518 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000116247495 873367597 /nfs/dbraw/zinc/36/75/97/873367597.db2.gz HPNQAPFSDCGBMV-TWHAJKEOSA-N 1 0 393.531 3.576 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCOc1ccc(Cl)cc1 ZINC000116252294 873371277 /nfs/dbraw/zinc/37/12/77/873371277.db2.gz FCHZHQMUBJKETQ-JXFKEZNVSA-N 1 0 387.911 3.531 10 0 GHAERO CCOc1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ccc1OC ZINC000116487206 873514535 /nfs/dbraw/zinc/51/45/35/873514535.db2.gz CUKCHMPVYCRYST-LPHOPBHVSA-N 1 0 398.507 3.521 10 0 GHAERO C[N@@H+](Cc1ccc(Cl)nc1)Cn1ccc(=O)c2cccc(Br)c21 ZINC000105604348 875346474 /nfs/dbraw/zinc/34/64/74/875346474.db2.gz NUHDEVJCBVJRQQ-UHFFFAOYSA-N 1 0 392.684 3.902 10 0 GHAERO C[C@@H](NC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1)c1ccc2ccccc2c1 ZINC000180381577 883054076 /nfs/dbraw/zinc/05/40/76/883054076.db2.gz YDDVQQSTGFZGFO-AUSIDOKSSA-N 1 0 394.563 3.712 10 0 GHAERO COc1ccc([C@@H](C)[NH2+]C2CCN(c3ncccn3)CC2)c(Br)c1 ZINC000181501834 883160434 /nfs/dbraw/zinc/16/04/34/883160434.db2.gz WNCDMFRUAQQGEJ-CYBMUJFWSA-N 1 0 391.313 3.567 10 0 GHAERO Cc1cccc(-c2nnc(-c3ccc(C(=O)N4C[C@@H]5CC[C@H]([NH3+])[C@@H]5C4)cc3)o2)c1 ZINC000186945311 883718827 /nfs/dbraw/zinc/71/88/27/883718827.db2.gz PJOLZVRNTKDHEV-ZCNNSNEGSA-N 1 0 388.471 3.521 10 0 GHAERO C[C@@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1ncc(Br)cc1F ZINC000187315792 883768804 /nfs/dbraw/zinc/76/88/04/883768804.db2.gz KPIPPIPTOWLFMA-ZWNOBZJWSA-N 1 0 378.245 3.760 10 0 GHAERO O=C(N1CCC([NH+]2CCCC2)CC1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000189688476 883986105 /nfs/dbraw/zinc/98/61/05/883986105.db2.gz SJTRXFVIFGIRFS-UHFFFAOYSA-N 1 0 396.453 3.995 10 0 GHAERO Cc1ccc(OCc2nc(C[NH2+]C3CCN(c4ncccn4)CC3)cs2)cc1 ZINC000113321900 886290662 /nfs/dbraw/zinc/29/06/62/886290662.db2.gz ACWBKRCYFZZVIH-UHFFFAOYSA-N 1 0 395.532 3.579 10 0 GHAERO CCC(CC)(CNC(=O)N1CCC(n2cncn2)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000113626597 886297382 /nfs/dbraw/zinc/29/73/82/886297382.db2.gz YDWKMVUVCYUTLZ-GOSISDBHSA-N 1 0 398.555 3.534 10 0 GHAERO Cc1cc(OC(F)F)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000116248217 886357919 /nfs/dbraw/zinc/35/79/19/886357919.db2.gz INANIOBPDVVWBD-WFASDCNBSA-N 1 0 395.475 3.693 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C1(c2cccc(F)c2)CCC1 ZINC000116252479 886358036 /nfs/dbraw/zinc/35/80/36/886358036.db2.gz VVEBXVJECJZLPL-UTKZUKDTSA-N 1 0 381.495 3.669 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cccc(Cl)c1F ZINC000116478227 886363024 /nfs/dbraw/zinc/36/30/24/886363024.db2.gz DNBPGSRCMVXHBQ-BBRMVZONSA-N 1 0 376.863 3.906 10 0 GHAERO O=C(NC1CC[NH+](Cc2ccccn2)CC1)N1CC=C(c2cccs2)CC1 ZINC000117959368 886396535 /nfs/dbraw/zinc/39/65/35/886396535.db2.gz ZNYMMUXVUANWRI-UHFFFAOYSA-N 1 0 382.533 3.606 10 0 GHAERO O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262452469 886507290 /nfs/dbraw/zinc/50/72/90/886507290.db2.gz GBYNEYZYYVAJQK-SDKQDDAZSA-N 1 0 396.556 3.995 10 0 GHAERO CC(C)Cn1cc(C(F)F)c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000120560883 886525687 /nfs/dbraw/zinc/52/56/87/886525687.db2.gz UXZJXQFGGYUFBC-PBHICJAKSA-N 1 0 380.483 3.566 10 0 GHAERO CC1(C)CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)[C@@H]1c1cccs1 ZINC000332834521 886552487 /nfs/dbraw/zinc/55/24/87/886552487.db2.gz CSDVEDDVWCAUOP-ZHALLVOQSA-N 1 0 391.581 3.609 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cc(Cl)cc(C(F)(F)F)c3)CC2)CCO1 ZINC000126957251 887018195 /nfs/dbraw/zinc/01/81/95/887018195.db2.gz FTPSYAVBSAQNOF-GFCCVEGCSA-N 1 0 390.833 3.684 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000128020324 887136428 /nfs/dbraw/zinc/13/64/28/887136428.db2.gz IZUNBLUDYLZHBK-JLSDUUJJSA-N 1 0 398.473 3.712 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C1(Cc2ccccc2)CCC1 ZINC000134364017 887863924 /nfs/dbraw/zinc/86/39/24/887863924.db2.gz SSWLNQVVEKDDRC-UGKGYDQZSA-N 1 0 377.532 3.821 10 0 GHAERO Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000065480207 889224394 /nfs/dbraw/zinc/22/43/94/889224394.db2.gz YPILTHFTRWHEDE-UHFFFAOYSA-N 1 0 398.551 3.760 10 0 GHAERO CCc1nc(CC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cs1 ZINC000245728065 889514747 /nfs/dbraw/zinc/51/47/47/889514747.db2.gz SLXAIELAPNDMKQ-DJJJIMSYSA-N 1 0 395.931 3.850 10 0 GHAERO COc1ccc([C@@H](CCO)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1 ZINC000245904235 889984443 /nfs/dbraw/zinc/98/44/43/889984443.db2.gz FCKZFPLHOPCMLZ-AQDPXUSMSA-N 1 0 390.524 3.639 10 0 GHAERO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000246399660 891118342 /nfs/dbraw/zinc/11/83/42/891118342.db2.gz LOTAULZFGRPNQS-MDKPJZGXSA-N 1 0 387.549 3.704 10 0 GHAERO O=C(NCc1ccco1)c1cccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000246571536 891286979 /nfs/dbraw/zinc/28/69/79/891286979.db2.gz LDIGLPDGUVSHNC-PZJWPPBQSA-N 1 0 394.471 3.891 10 0 GHAERO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC[C@@H](c3nccs3)C2)C1 ZINC000246697180 891299125 /nfs/dbraw/zinc/29/91/25/891299125.db2.gz JJGMKWACWJZCBL-KZNAEPCWSA-N 1 0 378.586 3.790 10 0 GHAERO COc1ccc(Cl)c(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000246937518 891324380 /nfs/dbraw/zinc/32/43/80/891324380.db2.gz IPEQVCYNTDAHGR-KBXCAEBGSA-N 1 0 388.899 3.776 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccccc1OC(F)F ZINC000247000549 891330250 /nfs/dbraw/zinc/33/02/50/891330250.db2.gz LUVKURUITHQFFM-GDBMZVCRSA-N 1 0 390.434 3.715 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCC(C)(C)c1cccs1 ZINC000247032722 891334302 /nfs/dbraw/zinc/33/43/02/891334302.db2.gz NOYMMNNMNVGVON-FUHWJXTLSA-N 1 0 386.565 3.631 10 0 GHAERO CCOc1ccc2cc(C(=O)N[C@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)[nH]c2c1 ZINC000247334182 891368443 /nfs/dbraw/zinc/36/84/43/891368443.db2.gz YMURWZUGDHSWSG-UZLBHIALSA-N 1 0 392.503 3.602 10 0 GHAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(Cc3ccccn3)C[C@H]1C)CCCO2 ZINC000247110073 891370025 /nfs/dbraw/zinc/37/00/25/891370025.db2.gz ABEUCOFWDSIXEB-ZPMCFJSWSA-N 1 0 381.520 3.804 10 0 GHAERO CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000247963140 891401808 /nfs/dbraw/zinc/40/18/08/891401808.db2.gz DDNNCWIQUZUSBF-FIXSFTCYSA-N 1 0 389.499 3.512 10 0 GHAERO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c(C)n1Cc1ccccn1 ZINC000248073235 891408875 /nfs/dbraw/zinc/40/88/75/891408875.db2.gz QUHVDNVVPPSTOA-PKTZIBPZSA-N 1 0 388.515 3.723 10 0 GHAERO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(-c4noc(C5CC5)n4)c3)CC[C@H]21 ZINC000248142532 891412433 /nfs/dbraw/zinc/41/24/33/891412433.db2.gz PVAZVBQDPGTGBW-FUHWJXTLSA-N 1 0 381.480 3.562 10 0 GHAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(-c4ccncc4)nc4ccccc43)CC[C@H]21 ZINC000248169574 891414071 /nfs/dbraw/zinc/41/40/71/891414071.db2.gz UMKQZTXTZJCBIJ-WZONZLPQSA-N 1 0 386.499 3.853 10 0 GHAERO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cc2ccccc2o1 ZINC000248327727 891419244 /nfs/dbraw/zinc/41/92/44/891419244.db2.gz CNIVDKKWUOYOSR-ABSDTBQOSA-N 1 0 377.488 3.958 10 0 GHAERO O=C(CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1)N1CCc2ccccc2C1 ZINC000249409885 891506434 /nfs/dbraw/zinc/50/64/34/891506434.db2.gz VCMPRPURITYASY-WOJBJXKFSA-N 1 0 384.545 3.611 10 0 GHAERO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000333010501 899889707 /nfs/dbraw/zinc/88/97/07/899889707.db2.gz FSUOEKWMSHRAJT-ZWKOTPCHSA-N 1 0 380.536 3.665 10 0 GHAERO Cc1cc(C(=O)NC2CC[NH+](CC3(c4ccc(Cl)cc4)CCC3)CC2)on1 ZINC000019120036 210226200 /nfs/dbraw/zinc/22/62/00/210226200.db2.gz MUBNQYZBADUAFT-UHFFFAOYSA-N 1 0 387.911 3.953 10 0 GHAERO CCOCCC[NH2+]Cc1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000013731384 210086461 /nfs/dbraw/zinc/08/64/61/210086461.db2.gz JEEXUMPKCCIWHN-UHFFFAOYSA-N 1 0 386.492 3.537 10 0 GHAERO COC(=O)[C@H]1C[C@H](O)CN1C1(c2ccccc2)c2ccccc2-c2ccccc21 ZINC000098091972 212076329 /nfs/dbraw/zinc/07/63/29/212076329.db2.gz MJIVTEQYUJILHQ-FDDCHVKYSA-N 1 0 385.463 3.567 10 0 GHAERO CCCOc1c(Br)cc(C[NH2+]C(C)(C)CO)cc1Br ZINC000020926701 210368762 /nfs/dbraw/zinc/36/87/62/210368762.db2.gz LZYRROYVZVPQBQ-UHFFFAOYSA-N 1 0 395.135 3.861 10 0 GHAERO COc1cc(C[NH2+]C[C@H](C)O)cc(Br)c1OCc1ccc(C)cc1 ZINC000020873838 210365005 /nfs/dbraw/zinc/36/50/05/210365005.db2.gz IWDNVYZNBCBXAR-AWEZNQCLSA-N 1 0 394.309 3.816 10 0 GHAERO Cc1cc(Br)ccc1-c1ccc(C[NH2+]CCCN2CCOCC2)o1 ZINC000020875883 210364645 /nfs/dbraw/zinc/36/46/45/210364645.db2.gz KBOZIUGGSFCZDP-UHFFFAOYSA-N 1 0 393.325 3.829 10 0 GHAERO CN1CCN2c3c(cccc31)[C@H]1C[N@@H+](CCCC(=O)c3ccc(F)cc3)CC[C@H]12 ZINC000143595671 136192985 /nfs/dbraw/zinc/19/29/85/136192985.db2.gz HOIIHACBCFLJET-NHCUHLMSSA-N 1 0 393.506 3.917 10 0 investigational GHAERO COc1ccc(-c2nc(NCC3CC[NH2+]CC3)cc(-c3ccccn3)n2)cc1 ZINC000073684334 523220489 /nfs/dbraw/zinc/22/04/89/523220489.db2.gz VVPKGOAAZJJXDC-UHFFFAOYSA-N 1 0 375.476 3.626 10 0 GHAERO COc1ccccc1-c1cn2c(n1)CO[C@@H](C[NH2+]Cc1c[nH]c3ccccc13)C2 ZINC000096296302 560060320 /nfs/dbraw/zinc/06/03/20/560060320.db2.gz MNYYMAMTWXTZMF-KRWDZBQOSA-N 1 0 388.471 3.729 10 0 biogenic GHAERO Cc1ccc(N2CCC(NC(=O)c3cccnc3SC(F)(F)F)CC2)nc1 ZINC000157755684 835075528 /nfs/dbraw/zinc/07/55/28/835075528.db2.gz NJRBODVACUCAJI-UHFFFAOYSA-N 1 0 396.438 3.796 10 0 GHAERO C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccncc1 ZINC000158801525 835551766 /nfs/dbraw/zinc/55/17/66/835551766.db2.gz LOPHPGFSFISALS-BWAGFHJFSA-N 1 0 378.520 3.839 10 0 GHAERO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000332680032 836457062 /nfs/dbraw/zinc/45/70/62/836457062.db2.gz GSFAYGCFXNHSMR-NLWGTHIKSA-N 1 0 380.536 3.665 10 0 GHAERO CC1CCC([NH+]2CCN(C(=O)Nc3cccc(C(=O)N4CCCC4)c3)CC2)CC1 ZINC000115754294 839157672 /nfs/dbraw/zinc/15/76/72/839157672.db2.gz JJQRPJJHXOVRDY-UHFFFAOYSA-N 1 0 398.551 3.651 10 0 GHAERO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)/C=C\c1ncccc1C ZINC000588455819 843359012 /nfs/dbraw/zinc/35/90/12/843359012.db2.gz IYTYPYSOANZYMH-GHYICZDASA-N 1 0 379.504 3.622 10 0 GHAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)CCCc3csc4ccccc34)C2)CC1 ZINC000150982174 845091993 /nfs/dbraw/zinc/09/19/93/845091993.db2.gz NPSATTFQNJPZLW-FQEVSTJZSA-N 1 0 399.604 3.853 10 0 GHAERO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)cnn1-c1ccccn1 ZINC000119938992 847699589 /nfs/dbraw/zinc/69/95/89/847699589.db2.gz GKGONQGNMCLZFE-GDBMZVCRSA-N 1 0 382.899 3.554 10 0 GHAERO O=C(N[C@H]1CCCc2[nH]c(=O)ccc21)[C@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000333579745 847718218 /nfs/dbraw/zinc/71/82/18/847718218.db2.gz VNNKSJQWWBBTDO-ZHRMCQFGSA-N 1 0 391.515 3.583 10 0 GHAERO C[C@@]12CCC[N@@H+]1C[C@H](c1noc(-c3cccc(Br)c3F)n1)OC2 ZINC000329668069 861978388 /nfs/dbraw/zinc/97/83/88/861978388.db2.gz LQSPTMHWDXOFDT-WBMJQRKESA-N 1 0 382.233 3.564 10 0 GHAERO Cc1coc(-c2cc(NC(=O)N3CCC([N@H+]4CCO[C@H](C)C4)CC3)ccc2C)n1 ZINC000154081137 849182764 /nfs/dbraw/zinc/18/27/64/849182764.db2.gz GHUZDIGLJNPUOC-QGZVFWFLSA-N 1 0 398.507 3.675 10 0 GHAERO COc1cc(C)c([C@H](C)[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1OC ZINC000155820787 849660202 /nfs/dbraw/zinc/66/02/02/849660202.db2.gz NLUDFXQGMNUGET-WFXMLNOXSA-N 1 0 383.536 3.968 10 0 GHAERO Cc1nn2c(C[N@@H+]3CCC[C@@H]3[C@@H]3C[C@@H](C)CC[C@@H]3O)c(C(C)C)nc2s1 ZINC000329841354 862365308 /nfs/dbraw/zinc/36/53/08/862365308.db2.gz OMOAOTPRQNXVDS-SCNOPHJPSA-N 1 0 376.570 3.984 10 0 GHAERO COc1ccc([C@@H]2CCCCCN2C(=O)C[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)cc1 ZINC000328874316 854593344 /nfs/dbraw/zinc/59/33/44/854593344.db2.gz FNPREQLTQPJYAL-SXWKCWPCSA-N 1 0 399.535 3.626 10 0 GHAERO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000136581330 855513812 /nfs/dbraw/zinc/51/38/12/855513812.db2.gz YXUUNVWYQXAPQQ-JTHBVZDNSA-N 1 0 385.552 3.509 10 0 GHAERO C[C@@H]1CC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c2ccccc21 ZINC000131470102 857746118 /nfs/dbraw/zinc/74/61/18/857746118.db2.gz WDDPUKRFYGMNBN-ZJMJOCHXSA-N 1 0 385.552 3.692 10 0 GHAERO CCc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cc1C ZINC000330333779 862975943 /nfs/dbraw/zinc/97/59/43/862975943.db2.gz QCQVLATWGUMJHK-GHTZIAJQSA-N 1 0 383.540 3.838 10 0 GHAERO CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC(c4cc[nH]n4)CC3)c2)CC1 ZINC000158865612 858437007 /nfs/dbraw/zinc/43/70/07/858437007.db2.gz UYDVGOLXHMQIDJ-UHFFFAOYSA-N 1 0 395.551 3.731 10 0 GHAERO Cn1cc([C@H]2CCCN2C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cn1 ZINC000171468730 860425664 /nfs/dbraw/zinc/42/56/64/860425664.db2.gz ONZJILGLPWPFLR-JOCHJYFZSA-N 1 0 395.551 3.843 10 0 GHAERO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000171461001 860425690 /nfs/dbraw/zinc/42/56/90/860425690.db2.gz HUAHNARCYDBBFR-PGRDOPGGSA-N 1 0 395.551 3.841 10 0 GHAERO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000102940494 860910648 /nfs/dbraw/zinc/91/06/48/860910648.db2.gz XPPWFQFAPLRQDC-ZWKOTPCHSA-N 1 0 397.475 3.692 10 0 GHAERO CC(C)[C@H](C)NC(=O)C1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000103472534 863999663 /nfs/dbraw/zinc/99/96/63/863999663.db2.gz OMVFYIATASZJCX-HNNXBMFYSA-N 1 0 379.932 3.541 10 0 GHAERO Clc1cc(C[NH+]2CCC(c3nnc4ccccn43)CC2)cc2c1OCCO2 ZINC000102694793 865416731 /nfs/dbraw/zinc/41/67/31/865416731.db2.gz DQXLAIFKQYAWJV-UHFFFAOYSA-N 1 0 384.867 3.534 10 0 GHAERO C[C@@H](CC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1)C1CC[NH2+]CC1 ZINC000168904142 881927155 /nfs/dbraw/zinc/92/71/55/881927155.db2.gz YFTOYBBJMZQBKL-PXNSSMCTSA-N 1 0 380.536 3.809 10 0 GHAERO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CCC[C@H](c2nccs2)C1 ZINC000172223404 882188403 /nfs/dbraw/zinc/18/84/03/882188403.db2.gz WIFANLTXZNVEQC-IBGZPJMESA-N 1 0 398.576 3.739 10 0 GHAERO O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000176665532 882723397 /nfs/dbraw/zinc/72/33/97/882723397.db2.gz DOOPNAQLXAJHPN-UHFFFAOYSA-N 1 0 381.480 3.706 10 0 GHAERO Cc1cc2cc(NC(=O)N[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)ccc2[nH]1 ZINC000116498762 873520154 /nfs/dbraw/zinc/52/01/54/873520154.db2.gz ONQHVGPWPFLIGE-MGPUTAFESA-N 1 0 377.492 3.903 10 0 GHAERO Cc1cccnc1[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000116553294 873567233 /nfs/dbraw/zinc/56/72/33/873567233.db2.gz USUFQCBVLKDHQZ-SESVDKBCSA-N 1 0 395.551 3.692 10 0 GHAERO CCc1nc2cc(NC(=O)N[C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)ccc2o1 ZINC000116569865 873569055 /nfs/dbraw/zinc/56/90/55/873569055.db2.gz RSBVWMZHLXIPEX-YJBOKZPZSA-N 1 0 393.491 3.817 10 0 GHAERO CC(C)[C@H](C)NC(=O)C1CC[NH+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000104101335 874123030 /nfs/dbraw/zinc/12/30/30/874123030.db2.gz OFPCZMPXKWTTPQ-ROUUACIJSA-N 1 0 395.588 3.506 10 0 GHAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)Nc3cccc(Cl)c3Cl)C2)CC1 ZINC000179974336 883041240 /nfs/dbraw/zinc/04/12/40/883041240.db2.gz MMFQMHOUIXRTNS-CQSZACIVSA-N 1 0 385.339 3.627 10 0 GHAERO COc1cc2c(c(C[NH2+][C@@H]3CCN(C(C)=O)Cc4cc(F)ccc43)c1)O[C@H](C)C2 ZINC000185365724 883442717 /nfs/dbraw/zinc/44/27/17/883442717.db2.gz WPJGONHEFAPMAT-JLCFBVMHSA-N 1 0 398.478 3.741 10 0 GHAERO O=S1(=O)CC[C@@H]([NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)c2ccccc21 ZINC000186384580 883652839 /nfs/dbraw/zinc/65/28/39/883652839.db2.gz KDOUJOXSSGGEJA-SCLBCKFNSA-N 1 0 394.899 3.566 10 0 GHAERO Cn1c(C(=O)N(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)ccc1-c1ccccc1 ZINC000186581967 883665935 /nfs/dbraw/zinc/66/59/35/883665935.db2.gz ILLAPEGTGZHQIW-NRFANRHFSA-N 1 0 388.515 3.872 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1CCC(c2ccsc2)CC1 ZINC000188857236 883888789 /nfs/dbraw/zinc/88/87/89/883888789.db2.gz CFGVNNPHOWXXHD-UTKZUKDTSA-N 1 0 398.576 3.943 10 0 GHAERO Cc1cccc(N2CCC(NC(=O)c3cc(O)ccc3C(F)(F)F)CC2)n1 ZINC000189397280 883943209 /nfs/dbraw/zinc/94/32/09/883943209.db2.gz PAFQPFIENXYPHD-UHFFFAOYSA-N 1 0 379.382 3.513 10 0 GHAERO CCCCN(C)c1ccc(NC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000107384623 886049068 /nfs/dbraw/zinc/04/90/68/886049068.db2.gz VECVEHIXXDASIJ-GOSISDBHSA-N 1 0 388.556 3.640 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3ccc(-c4nccs4)cc3)CC2)CCO1 ZINC000124414236 886745967 /nfs/dbraw/zinc/74/59/67/886745967.db2.gz KIRMHMCUBUMKHN-HNNXBMFYSA-N 1 0 386.521 3.527 10 0 GHAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)Nc3ccccc3-c3ccccc3)C2)CC1 ZINC000125189759 886837027 /nfs/dbraw/zinc/83/70/27/886837027.db2.gz PORYDJMWFLEOTI-OAQYLSRUSA-N 1 0 392.547 3.987 10 0 GHAERO Cc1c([C@H](C)[NH2+]C2CCN(c3cccc(C)n3)CC2)cnn1-c1ccccn1 ZINC000128102393 887145620 /nfs/dbraw/zinc/14/56/20/887145620.db2.gz JOQCAFXJMPHCHV-KRWDZBQOSA-N 1 0 376.508 3.599 10 0 GHAERO COc1ccc([C@H](C)[NH2+]C2CCN(c3cccc(C)n3)CC2)cc1NC(C)=O ZINC000128198873 887158803 /nfs/dbraw/zinc/15/88/03/887158803.db2.gz OTLBFARXRKJJJS-INIZCTEOSA-N 1 0 382.508 3.677 10 0 GHAERO CN(C)c1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c(C(F)(F)F)c1 ZINC000047507885 887338654 /nfs/dbraw/zinc/33/86/54/887338654.db2.gz HVVHUAUVKDMFJZ-UHFFFAOYSA-N 1 0 384.446 3.864 10 0 GHAERO Cc1cc(C)c(NC(=O)CCC[NH+]2CCC(N3CCO[C@@H](C)C3)CC2)c(C)c1 ZINC000137280388 888345190 /nfs/dbraw/zinc/34/51/90/888345190.db2.gz KCTXZZWUAFNFMF-FQEVSTJZSA-N 1 0 387.568 3.516 10 0 GHAERO C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccccc1O2 ZINC000194079854 888554685 /nfs/dbraw/zinc/55/46/85/888554685.db2.gz POUVXYMHZAIAAQ-WMLDXEAASA-N 1 0 383.319 3.675 10 0 GHAERO COc1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ccc1Cl ZINC000194428830 888585913 /nfs/dbraw/zinc/58/59/13/888585913.db2.gz AGYQJFAERHJCLO-KSSFIOAISA-N 1 0 388.899 3.776 10 0 GHAERO Cc1nc(CN2CCC(C[NH2+][C@@H](c3cccs3)c3ncc[nH]3)CC2)oc1C ZINC000195033505 888637457 /nfs/dbraw/zinc/63/74/57/888637457.db2.gz GALMCLAUOGPKMN-IBGZPJMESA-N 1 0 385.537 3.667 10 0 GHAERO COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)s1 ZINC000245578278 888989740 /nfs/dbraw/zinc/98/97/40/888989740.db2.gz AJSAYEHUVWSFHG-JTDSTZFVSA-N 1 0 388.581 3.597 10 0 GHAERO CC[C@H](Cc1ccccc1)N(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246198541 890670059 /nfs/dbraw/zinc/67/00/59/890670059.db2.gz MUUDSDDULFLKCT-UEVCKROQSA-N 1 0 394.563 3.955 10 0 GHAERO CCC(=O)c1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000246265621 890889736 /nfs/dbraw/zinc/88/97/36/890889736.db2.gz LRBSLESKAAODEQ-UZLBHIALSA-N 1 0 380.492 3.706 10 0 GHAERO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(Nc3ccccc3F)CC2)C1 ZINC000074104637 891270800 /nfs/dbraw/zinc/27/08/00/891270800.db2.gz AIIZZCWXUHCYRF-KRWDZBQOSA-N 1 0 376.520 3.532 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000246798709 891309320 /nfs/dbraw/zinc/30/93/20/891309320.db2.gz AUWAXKJHGUOKHU-HUIQTFQGSA-N 1 0 382.552 3.560 10 0 GHAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccc(N2CCOC2=O)cc1 ZINC000246860407 891317290 /nfs/dbraw/zinc/31/72/90/891317290.db2.gz BYINSKVARANDAX-KGVIQGDOSA-N 1 0 394.519 3.599 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCc1c[nH]c2ccccc12 ZINC000247274352 891362467 /nfs/dbraw/zinc/36/24/67/891362467.db2.gz RNTPCIOMZCOPHG-DYESRHJHSA-N 1 0 376.504 3.522 10 0 GHAERO CN1CCC[C@H](C[NH2+][C@@H]2CCS(=O)(=O)c3ccccc32)[C@H]1c1cccs1 ZINC000248543669 891425481 /nfs/dbraw/zinc/42/54/81/891425481.db2.gz DDNDBMXQDZJFSU-MDYRTPRTSA-N 1 0 390.574 3.639 10 0 GHAERO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000248546899 891427126 /nfs/dbraw/zinc/42/71/26/891427126.db2.gz FXQZWNGIKMVCEQ-NHCUHLMSSA-N 1 0 390.543 3.998 10 0 GHAERO COC(=O)Nc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1F ZINC000249007123 891487536 /nfs/dbraw/zinc/48/75/36/891487536.db2.gz IBNLDJZEWZRYEE-ZWKOTPCHSA-N 1 0 386.427 3.571 10 0 GHAERO CSCc1cccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000249168870 891500090 /nfs/dbraw/zinc/50/00/90/891500090.db2.gz AHOQYPSHRZEGQR-DYESRHJHSA-N 1 0 398.576 3.654 10 0 GHAERO COc1ccc(-c2noc(CN3CCC[C@@H]3C[C@@H](O)c3cccs3)n2)cc1 ZINC000252652227 891717616 /nfs/dbraw/zinc/71/76/16/891717616.db2.gz IWWKSURAFMYSSU-NVXWUHKLSA-N 1 0 385.489 3.895 10 0 GHAERO Cc1cc(NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)ccc1OC1CCOCC1 ZINC000333237828 900058480 /nfs/dbraw/zinc/05/84/80/900058480.db2.gz ZLMOSCJBVHEXFC-HXUWFJFHSA-N 1 0 387.524 3.549 10 0 GHAERO O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N1CCC2(CC[NH2+]CC2)CC1 ZINC000333296420 901983491 /nfs/dbraw/zinc/98/34/91/901983491.db2.gz IJPQUKRVDUMERX-LJQANCHMSA-N 1 0 383.536 3.998 10 0 GHAERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)NCC1CCC(C)(C)CC1 ZINC000333502838 902140262 /nfs/dbraw/zinc/14/02/62/902140262.db2.gz VYUXYLFFPWLOGQ-AZUAARDMSA-N 1 0 389.588 3.661 10 0 GHAERO [NH3+][C@@H]1CCCO[C@H]1C1CCN(c2ccnc3ccc(Br)cc32)CC1 ZINC000333752686 902310742 /nfs/dbraw/zinc/31/07/42/902310742.db2.gz ZHSNVCVEFKAORH-APWZRJJASA-N 1 0 390.325 3.720 10 0 GHAERO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cn(C)c2ccccc12 ZINC000185436671 1014579082 /nfs/dbraw/zinc/57/90/82/1014579082.db2.gz KWXMLZITHQCSMS-FGSXEWAUSA-N 1 0 390.531 3.704 10 0 GHAERO CC(C)CCN1C(=O)N(C(C)C)C(=O)C12CC[NH+](C1Cc3ccccc3C1)CC2 ZINC000014746421 210127218 /nfs/dbraw/zinc/12/72/18/210127218.db2.gz YZZWRTGAQLELRD-UHFFFAOYSA-N 1 0 397.563 3.707 10 0 GHAERO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000190425543 212061509 /nfs/dbraw/zinc/06/15/09/212061509.db2.gz BPYJCTFCSYQHRI-VXKWHMMOSA-N 1 0 392.503 3.887 10 0 GHAERO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[NH2+]CCc2cnn(C)c2)o1 ZINC000020993629 210372286 /nfs/dbraw/zinc/37/22/86/210372286.db2.gz UDSISQWIVTYSEX-UHFFFAOYSA-N 1 0 379.439 3.646 10 0 GHAERO COc1cc(Br)cc(CNCC[NH+](C)C)c1OCc1ccccc1 ZINC000020477625 210339490 /nfs/dbraw/zinc/33/94/90/210339490.db2.gz KJANFMZNDSUCOZ-UHFFFAOYSA-N 1 0 393.325 3.688 10 0 GHAERO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(C/C=C/c2ccc(O)c(OC)c2)C1 ZINC000019636239 210277637 /nfs/dbraw/zinc/27/76/37/210277637.db2.gz YQAYJFZBZOKRAJ-LWQICCLCSA-N 1 0 381.520 3.796 10 0 GHAERO Cc1cc(C)n(CCCNc2nc(-c3ccc(Cl)cc3)nc3c2C[NH2+]C3)n1 ZINC000072168431 570351826 /nfs/dbraw/zinc/35/18/26/570351826.db2.gz XBXSCNXRLHUPMG-UHFFFAOYSA-N 1 0 382.899 3.716 10 0 GHAERO Cc1cc(-c2nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no2)cc(Cl)c1Br ZINC000329628455 835457351 /nfs/dbraw/zinc/45/73/51/835457351.db2.gz VVQAZBISWKWBOW-WCQYABFASA-N 1 0 398.688 3.997 10 0 GHAERO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccncc1 ZINC000158801219 835550894 /nfs/dbraw/zinc/55/08/94/835550894.db2.gz LOPHPGFSFISALS-VLCRHTCISA-N 1 0 378.520 3.839 10 0 GHAERO CCc1ccc(C(=O)Nc2sccc2C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000113222346 836855783 /nfs/dbraw/zinc/85/57/83/836855783.db2.gz NWJZEQNNVWNWSP-MAUKXSAKSA-N 1 0 397.544 3.872 10 0 GHAERO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@@H]2CCCc3sccc32)CC1 ZINC000123388610 839361668 /nfs/dbraw/zinc/36/16/68/839361668.db2.gz FGMBZXWPJAQUCZ-QGZVFWFLSA-N 1 0 397.544 3.584 10 0 GHAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c21 ZINC000247128011 840275256 /nfs/dbraw/zinc/27/52/56/840275256.db2.gz JIBUGYYYJSTVJW-ZBFHGGJFSA-N 1 0 396.535 3.998 10 0 GHAERO C/C(=C/c1ccc(F)cc1)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000588432906 842396051 /nfs/dbraw/zinc/39/60/51/842396051.db2.gz BZRPXJYPATYNJV-GBKYUFMXSA-N 1 0 382.479 3.502 10 0 GHAERO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000162065849 843196048 /nfs/dbraw/zinc/19/60/48/843196048.db2.gz NMHPADJIXAGBLC-AWEZNQCLSA-N 1 0 397.332 3.854 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3cccc(Oc4ccncc4)c3)CC2)CCO1 ZINC000112211600 843349640 /nfs/dbraw/zinc/34/96/40/843349640.db2.gz KDRRXMARUUQRSA-KRWDZBQOSA-N 1 0 396.491 3.591 10 0 GHAERO Cn1nc(C(F)F)c2cc(-c3nc([C@H]4C[N@@H+]5CCC[C@]5(C)CO4)no3)sc21 ZINC000329646451 861896924 /nfs/dbraw/zinc/89/69/24/861896924.db2.gz BBQXAGWSSLABTR-BMLIUANNSA-N 1 0 395.435 3.548 10 0 GHAERO COc1ccc([C@H]2CCCCCN2C(=O)C[NH2+][C@@H]2CCC(=O)NC23CCC3)cc1 ZINC000328680328 854507200 /nfs/dbraw/zinc/50/72/00/854507200.db2.gz BYWVLYRINPFKRD-WOJBJXKFSA-N 1 0 399.535 3.770 10 0 GHAERO Cc1nnc(CN(C[C@@H](O)COc2cccc3ccccc32)C(C)C)n1C1CC1 ZINC000104964858 856453271 /nfs/dbraw/zinc/45/32/71/856453271.db2.gz TXQSGZMYZBRGHA-HXUWFJFHSA-N 1 0 394.519 3.725 10 0 GHAERO C[NH+](C)[C@@H](CNC(=O)N[C@H](c1ccccc1)c1ccncc1)c1ccc(F)cc1 ZINC000103308838 863951558 /nfs/dbraw/zinc/95/15/58/863951558.db2.gz YIWJNLOCKXAAIR-FCHUYYIVSA-N 1 0 392.478 3.912 10 0 GHAERO CCC[NH+]1CCC(CNC(=O)N2CCO[C@H](c3ccccc3Cl)C2)CC1 ZINC000103613473 864031496 /nfs/dbraw/zinc/03/14/96/864031496.db2.gz FQJGIQUQIGUIHV-IBGZPJMESA-N 1 0 379.932 3.545 10 0 GHAERO Cc1nc(-c2ccc(N3CCC[C@@H]([NH+]4CCCCCC4)C3)nc2)[nH]c(=O)c1C ZINC000301993316 865654970 /nfs/dbraw/zinc/65/49/70/865654970.db2.gz RDUDTGCCOVFBTJ-LJQANCHMSA-N 1 0 381.524 3.706 10 0 GHAERO O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCC[C@@H](c2nccs2)C1 ZINC000172222485 882188804 /nfs/dbraw/zinc/18/88/04/882188804.db2.gz YJPSSRUUBOYCCV-LJQANCHMSA-N 1 0 384.549 3.828 10 0 GHAERO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)NC1(c2ccccc2)CCCCC1 ZINC000153167947 870652451 /nfs/dbraw/zinc/65/24/51/870652451.db2.gz BAIYUCWJUPKGAX-LJQANCHMSA-N 1 0 385.552 3.646 10 0 GHAERO C[C@H](CC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)Cc1ccc(Cl)cc1 ZINC000092882764 882444124 /nfs/dbraw/zinc/44/41/24/882444124.db2.gz VKMHROXGEPCEHV-DLBZAZTESA-N 1 0 378.944 3.620 10 0 GHAERO Cc1nc(-c2ccccc2)oc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000174917512 882507955 /nfs/dbraw/zinc/50/79/55/882507955.db2.gz PDVQVSHNQHSBPV-OXJNMPFZSA-N 1 0 390.487 3.685 10 0 GHAERO CCC(CC)c1cc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)on1 ZINC000175020217 882515512 /nfs/dbraw/zinc/51/55/12/882515512.db2.gz RPVAKIHJTJMSBD-JXFKEZNVSA-N 1 0 399.539 3.683 10 0 GHAERO CCn1cc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c2ccccc21 ZINC000116248507 873367885 /nfs/dbraw/zinc/36/78/85/873367885.db2.gz KTLXRVYGIZWOGI-PGRDOPGGSA-N 1 0 390.531 3.626 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(Cl)cc2cccnc21 ZINC000116245864 873367918 /nfs/dbraw/zinc/36/79/18/873367918.db2.gz HHHTWJHSCJCNDQ-QRWLVFNGSA-N 1 0 394.906 3.924 10 0 GHAERO COc1cc(OC)cc([C@H]2CC[N@@H+]([C@H](C)c3nc(-c4cccnc4)no3)C2)c1 ZINC000177410911 882794292 /nfs/dbraw/zinc/79/42/92/882794292.db2.gz RPBQROLOGFCKTF-ZBFHGGJFSA-N 1 0 380.448 3.699 10 0 GHAERO COc1ccccc1CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000104709349 874661969 /nfs/dbraw/zinc/66/19/69/874661969.db2.gz ZYWOJUZCERMDGC-GOSISDBHSA-N 1 0 381.520 3.797 10 0 GHAERO O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000120593534 876117240 /nfs/dbraw/zinc/11/72/40/876117240.db2.gz ODSKQPUNVWUUEZ-UHFFFAOYSA-N 1 0 398.482 3.783 10 0 GHAERO CC[C@@H](NC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1)c1cccc(Cl)c1 ZINC000180390803 883053489 /nfs/dbraw/zinc/05/34/89/883053489.db2.gz PVWGAKPVHHXKNB-WOJBJXKFSA-N 1 0 392.975 3.603 10 0 GHAERO COc1ccc([C@H](C)[NH2+]CC[C@H]2C(=O)Nc3ccccc32)cc1Cn1cccn1 ZINC000180391462 883053732 /nfs/dbraw/zinc/05/37/32/883053732.db2.gz OKFJPGFXRHIRNS-OXJNMPFZSA-N 1 0 390.487 3.717 10 0 GHAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)N[C@H](c3cccs3)C(C)(C)C)C2)CC1 ZINC000180411136 883056844 /nfs/dbraw/zinc/05/68/44/883056844.db2.gz RWNSEKFEGKUKIW-IEBWSBKVSA-N 1 0 392.613 3.647 10 0 GHAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)N[C@H](c3cccs3)C(C)(C)C)C2)CC1 ZINC000180411100 883057102 /nfs/dbraw/zinc/05/71/02/883057102.db2.gz RWNSEKFEGKUKIW-PKOBYXMFSA-N 1 0 392.613 3.647 10 0 GHAERO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180560682 883079888 /nfs/dbraw/zinc/07/98/88/883079888.db2.gz FCJYRRWYCKSWQZ-VSDWSMLSSA-N 1 0 393.510 3.544 10 0 GHAERO C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182367761 883218098 /nfs/dbraw/zinc/21/80/98/883218098.db2.gz YIJCOVKNJSHYDB-ZHRRBRCNSA-N 1 0 379.504 3.720 10 0 GHAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)C[C@@H]1C ZINC000184531067 883353435 /nfs/dbraw/zinc/35/34/35/883353435.db2.gz YZUALDKRBOLUEW-YNJGCUIUSA-N 1 0 390.499 3.577 10 0 GHAERO CCCN(CCc1ccccn1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000105068811 883618564 /nfs/dbraw/zinc/61/85/64/883618564.db2.gz IJBCSLXUNFXNTR-JOCHJYFZSA-N 1 0 380.536 3.883 10 0 GHAERO CN1Cc2cc(NC(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)ccc2NC1=O ZINC000186571193 883664693 /nfs/dbraw/zinc/66/46/93/883664693.db2.gz LQENSEZTUSQQLY-HXUWFJFHSA-N 1 0 393.491 3.623 10 0 GHAERO C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)o1 ZINC000186613293 883675228 /nfs/dbraw/zinc/67/52/28/883675228.db2.gz BOUCWCDDAVCOII-CHUCQATMSA-N 1 0 379.504 3.982 10 0 GHAERO CSCc1cc(C(=O)N(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)ccc1F ZINC000186617449 883675561 /nfs/dbraw/zinc/67/55/61/883675561.db2.gz FIUKWEGQPOFZBV-LJQANCHMSA-N 1 0 387.524 3.868 10 0 GHAERO C[C@H]1CCCN(C(=O)C2CC[NH+](CCC(=O)c3ccc(F)cc3F)CC2)C1 ZINC000186679201 883686391 /nfs/dbraw/zinc/68/63/91/883686391.db2.gz CLEKEZVFINXBST-HNNXBMFYSA-N 1 0 378.463 3.508 10 0 GHAERO O=C(N1CCC([NH+]2CCCC2)CC1)C1(c2ccccc2Br)CC1 ZINC000190345703 884069178 /nfs/dbraw/zinc/06/91/78/884069178.db2.gz UYLGMBNHXSGLKJ-UHFFFAOYSA-N 1 0 377.326 3.568 10 0 GHAERO CCCNc1ccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000192491446 884265620 /nfs/dbraw/zinc/26/56/20/884265620.db2.gz DBPPYIYHPJIIET-PGRDOPGGSA-N 1 0 395.551 3.613 10 0 GHAERO CC(C)(C)[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)c1cccs1 ZINC000112213688 886253748 /nfs/dbraw/zinc/25/37/48/886253748.db2.gz JVWNPKGWWXTKKF-FUHWJXTLSA-N 1 0 379.570 3.589 10 0 GHAERO COCc1c(Br)cccc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000123610913 886655065 /nfs/dbraw/zinc/65/50/65/886655065.db2.gz DNFSMKUHFMNPMS-UHFFFAOYSA-N 1 0 396.329 3.688 10 0 GHAERO CCCN(CCc1ccccn1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000105077410 887453099 /nfs/dbraw/zinc/45/30/99/887453099.db2.gz SNMYHYOUGLCQKJ-HXUWFJFHSA-N 1 0 384.524 3.866 10 0 GHAERO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1CCCc2cccnc21 ZINC000194184689 888562724 /nfs/dbraw/zinc/56/27/24/888562724.db2.gz SHOIQXSXKVRDGX-IBGZPJMESA-N 1 0 381.545 3.997 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCCc1ccc(F)c(F)c1 ZINC000246228693 890780113 /nfs/dbraw/zinc/78/01/13/890780113.db2.gz WTWBBQJVPCUNNT-IIBYNOLFSA-N 1 0 387.474 3.709 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)CC2)CCO1 ZINC000067682169 891159675 /nfs/dbraw/zinc/15/96/75/891159675.db2.gz UBVRRQORXJBMCK-LBPRGKRZSA-N 1 0 389.393 3.562 10 0 GHAERO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000246565773 891286620 /nfs/dbraw/zinc/28/66/20/891286620.db2.gz KWXIMQCDOVVQTF-NVXWUHKLSA-N 1 0 392.883 3.858 10 0 GHAERO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000246565762 891287666 /nfs/dbraw/zinc/28/76/66/891287666.db2.gz KWXIMQCDOVVQTF-DOTOQJQBSA-N 1 0 392.883 3.858 10 0 GHAERO CC(=O)Nc1ccc(/C=C/C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000247068712 891342268 /nfs/dbraw/zinc/34/22/68/891342268.db2.gz UQYNJQQRIAPJFZ-DLEOWTEOSA-N 1 0 383.536 3.771 10 0 GHAERO CCn1cc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c2ccccc21 ZINC000247187632 891353039 /nfs/dbraw/zinc/35/30/39/891353039.db2.gz KTLXRVYGIZWOGI-XMSQKQJNSA-N 1 0 390.531 3.626 10 0 GHAERO CCCCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1OC ZINC000247228866 891357988 /nfs/dbraw/zinc/35/79/88/891357988.db2.gz WFZQZWPYEPTNSW-WIYYLYMNSA-N 1 0 387.524 3.553 10 0 GHAERO C[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCCO1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000247115538 891371411 /nfs/dbraw/zinc/37/14/11/891371411.db2.gz UDESSFDPHLIYBJ-QMIHWGKISA-N 1 0 377.481 3.800 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(Cc1ccccc1)C1CC1 ZINC000247570057 891387395 /nfs/dbraw/zinc/38/73/95/891387395.db2.gz WLHPLKYXKAINBX-XMSQKQJNSA-N 1 0 378.520 3.666 10 0 GHAERO C[N@@H+]1CC[C@@H](NC(=O)CCc2ncc(-c3ccccc3)o2)[C@H]1c1ccccc1 ZINC000248052141 891407414 /nfs/dbraw/zinc/40/74/14/891407414.db2.gz NXEWWHWBMQWCLH-AUSIDOKSSA-N 1 0 375.472 3.836 10 0 GHAERO O[C@@H]1c2ccccc2C[C@@H]1[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000248553655 891427649 /nfs/dbraw/zinc/42/76/49/891427649.db2.gz JPJGTTWNXXTURH-XUVXKRRUSA-N 1 0 396.288 3.576 10 0 GHAERO Cc1c(-c2cc(C[N@@H+]3CCCCC[C@H]3C[C@@H](O)c3ccco3)on2)cnn1C ZINC000248636171 891448473 /nfs/dbraw/zinc/44/84/73/891448473.db2.gz VNSDSIZHLGNMNP-OXJNMPFZSA-N 1 0 384.480 3.845 10 0 GHAERO C[N@@H+]1CCC[C@@H]2CN(Cc3nc(=O)c4c(-c5ccco5)csc4[nH]3)CC[C@H]21 ZINC000253553666 891879855 /nfs/dbraw/zinc/87/98/55/891879855.db2.gz FYHJTUNZNCDVSG-UKRRQHHQSA-N 1 0 384.505 3.573 10 0 GHAERO O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333089845 899951645 /nfs/dbraw/zinc/95/16/45/899951645.db2.gz CFYDQUAXEPCSPG-CYBMUJFWSA-N 1 0 382.386 3.843 10 0 GHAERO Cc1coc(-c2ccc(C)c(NC(=O)N3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)c2)n1 ZINC000333185265 900018925 /nfs/dbraw/zinc/01/89/25/900018925.db2.gz QRFSDBPWGCIJEG-UYAOXDASSA-N 1 0 398.507 3.709 10 0 GHAERO O=C(Nc1ccc(Br)c(C2CC2)n1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333318227 902003266 /nfs/dbraw/zinc/00/32/66/902003266.db2.gz MNZWIDVSLHOVPM-OAHLLOKOSA-N 1 0 393.329 3.717 10 0 GHAERO O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000333353820 902030302 /nfs/dbraw/zinc/03/03/02/902030302.db2.gz JYGYLWCGFHRZTK-UYAOXDASSA-N 1 0 383.536 3.854 10 0 GHAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)C[C@@H]21 ZINC000333503426 902140439 /nfs/dbraw/zinc/14/04/39/902140439.db2.gz ICAJGBGVBKMYGQ-HYVNUMGLSA-N 1 0 391.544 3.806 10 0 GHAERO COC(=O)c1ccc(Cl)c(NC(=O)N2CCC([NH+]3CCCC3)CC2)c1C ZINC000184029055 1014571486 /nfs/dbraw/zinc/57/14/86/1014571486.db2.gz TXTWGDJKOBRTKM-UHFFFAOYSA-N 1 0 379.888 3.527 10 0 GHAERO CCN1C(=O)N(CCC(C)C)C2(CC[NH+](Cc3c[nH]c4ccccc34)CC2)C1=O ZINC000014534146 210120008 /nfs/dbraw/zinc/12/00/08/210120008.db2.gz POZXACGHMJOGSI-UHFFFAOYSA-N 1 0 396.535 3.833 10 0 GHAERO CCC(=O)O[C@@](C)(c1ccccc1)[C@@H](Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000022040944 209238288 /nfs/dbraw/zinc/23/82/88/209238288.db2.gz HYAOCXOBJATGBG-ZCYQVOJMSA-N 1 0 394.559 3.961 10 0 GHAERO Fc1cc2c(cc1N1CC[NH2+]CC1)ncnc2NCc1cccc2ccccc21 ZINC000090557922 209236747 /nfs/dbraw/zinc/23/67/47/209236747.db2.gz KIBHFAJGIJGSFO-UHFFFAOYSA-N 1 0 387.462 3.944 10 0 GHAERO CC(C)(C)OC(=O)N1CCC(C[NH2+]Cc2ccnc(Br)c2)CC1 ZINC000095083976 211218967 /nfs/dbraw/zinc/21/89/67/211218967.db2.gz JSFIMEYBENIJCV-UHFFFAOYSA-N 1 0 384.318 3.581 10 0 GHAERO CC(C)(C)OC(=O)N1CCC(C[NH2+]Cc2cnc(Cl)nc2Cl)CC1 ZINC000095083963 211219130 /nfs/dbraw/zinc/21/91/30/211219130.db2.gz AQRDRVPJHBURIY-UHFFFAOYSA-N 1 0 375.300 3.520 10 0 GHAERO Cc1cccc(C)c1OC[C@H](C)Nc1nc(-c2ccncc2)nc2c1C[NH2+]C2 ZINC000072159262 211078817 /nfs/dbraw/zinc/07/88/17/211078817.db2.gz LDLRBZNCFNYKBN-INIZCTEOSA-N 1 0 375.476 3.638 10 0 GHAERO COc1c(Br)cc(C[NH2+]Cc2ccncc2)cc1Br ZINC000020927439 570288244 /nfs/dbraw/zinc/28/82/44/570288244.db2.gz OKKSJXUFTQELAE-UHFFFAOYSA-N 1 0 386.087 3.905 10 0 GHAERO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)c1 ZINC000408226524 843341025 /nfs/dbraw/zinc/34/10/25/843341025.db2.gz QBHUXQRUDAANET-GDBMZVCRSA-N 1 0 377.916 3.633 10 0 GHAERO CC1(C)CCc2ccccc2[C@@H]1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000246340848 845389541 /nfs/dbraw/zinc/38/95/41/845389541.db2.gz MULUJCRRBFKJDT-BDTNDASRSA-N 1 0 399.579 3.767 10 0 GHAERO COc1c(C)cc(CN(C)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc1C ZINC000101607663 851726728 /nfs/dbraw/zinc/72/67/28/851726728.db2.gz WBNFHUZEDUHNBL-UHFFFAOYSA-N 1 0 399.535 3.594 10 0 GHAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000129588488 855204656 /nfs/dbraw/zinc/20/46/56/855204656.db2.gz YFTNSWALLXJGJL-XYPWUTKMSA-N 1 0 391.393 3.906 10 0 GHAERO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000247033902 855589355 /nfs/dbraw/zinc/58/93/55/855589355.db2.gz NTCBZPCWKWIQAX-WNOPAQSVSA-N 1 0 399.579 3.898 10 0 GHAERO Cc1ccc(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)cc1C(=O)N(C)C(C)C ZINC000193738066 855916417 /nfs/dbraw/zinc/91/64/17/855916417.db2.gz YRZCWWZWRVVBSV-GOSISDBHSA-N 1 0 388.556 3.861 10 0 GHAERO C[C@H](c1cccc(F)c1)N1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000104121364 856313054 /nfs/dbraw/zinc/31/30/54/856313054.db2.gz AIXDIYUGMBZJHX-LJQANCHMSA-N 1 0 395.522 3.941 10 0 GHAERO O=C(NCCCC[NH+]1CCCC1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113592866 858283593 /nfs/dbraw/zinc/28/35/93/858283593.db2.gz ZGLCKFAUSCZRNR-HXUWFJFHSA-N 1 0 395.551 3.842 10 0 GHAERO COc1ccc([C@H]([NH2+]Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)C(C)C)cc1 ZINC000102693295 860818561 /nfs/dbraw/zinc/81/85/61/860818561.db2.gz NRMYKNGGMYFSPF-LJQANCHMSA-N 1 0 383.517 3.969 10 0 GHAERO CCO[C@@H]1C[C@@H](N(C)Cc2nc3sc(C)c(C)c3c(=O)[nH]2)C12CCCC2 ZINC000089912676 881607347 /nfs/dbraw/zinc/60/73/47/881607347.db2.gz UBNRQSGVLVQCRS-HUUCEWRRSA-N 1 0 375.538 3.771 10 0 GHAERO C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000172350548 882185445 /nfs/dbraw/zinc/18/54/45/882185445.db2.gz GZVDVWVWGKAETK-HOTGVXAUSA-N 1 0 398.469 3.596 10 0 GHAERO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CCC[C@@H](c2nccs2)C1 ZINC000172223406 882188670 /nfs/dbraw/zinc/18/86/70/882188670.db2.gz WIFANLTXZNVEQC-LJQANCHMSA-N 1 0 398.576 3.739 10 0 GHAERO C[NH+]1CCN([C@@H]2CCCCN(C(=O)c3sccc3-c3ccccc3)C2)CC1 ZINC000173284154 882345510 /nfs/dbraw/zinc/34/55/10/882345510.db2.gz HUKGJSCXRBVEIO-LJQANCHMSA-N 1 0 383.561 3.657 10 0 GHAERO CC[C@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)c1nc(C(F)(F)F)cs1 ZINC000173738556 882370515 /nfs/dbraw/zinc/37/05/15/882370515.db2.gz LSLDXHKMGUWBLB-ZDUSSCGKSA-N 1 0 390.475 3.883 10 0 GHAERO CSCc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ccc1F ZINC000174244110 882439137 /nfs/dbraw/zinc/43/91/37/882439137.db2.gz OOTPFCFHOAUKRL-YWZLYKJASA-N 1 0 387.524 3.724 10 0 GHAERO C[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)Cc1cccs1 ZINC000175016312 882515137 /nfs/dbraw/zinc/51/51/37/882515137.db2.gz YRARUINNQHFOGB-QKLQHJQFSA-N 1 0 386.565 3.532 10 0 GHAERO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCC[C@H](c2nccs2)C1 ZINC000176501032 882700661 /nfs/dbraw/zinc/70/06/61/882700661.db2.gz YKVORYCWRZAPAM-INIZCTEOSA-N 1 0 376.570 3.829 10 0 GHAERO COc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)ccc1OC(C)C ZINC000116245333 873366024 /nfs/dbraw/zinc/36/60/24/873366024.db2.gz OQQTVWRVQSSDDV-XLIONFOSSA-N 1 0 397.519 3.518 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc(Cl)cc1F ZINC000116475844 873513688 /nfs/dbraw/zinc/51/36/88/873513688.db2.gz CTMSMDUKGRDGJB-DYVFJYSZSA-N 1 0 376.863 3.906 10 0 GHAERO O=C([C@@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC=C(c2cccs2)CC1 ZINC000117989713 874287717 /nfs/dbraw/zinc/28/77/17/874287717.db2.gz ZCLZNEQKSTUYSG-OAQYLSRUSA-N 1 0 382.529 3.562 10 0 GHAERO COc1cc([C@H](C)[NH2+]Cc2cccnc2-n2cncn2)ccc1SC(F)F ZINC000178056797 882861289 /nfs/dbraw/zinc/86/12/89/882861289.db2.gz PQAAZUJITAKJNK-LBPRGKRZSA-N 1 0 391.447 3.836 10 0 GHAERO Clc1ccc2c(c1Cl)OCCC[C@@H]2[NH2+]Cc1cccnc1-n1cncn1 ZINC000178051651 882861358 /nfs/dbraw/zinc/86/13/58/882861358.db2.gz QXMQQMBFJLMEEL-HNNXBMFYSA-N 1 0 390.274 3.973 10 0 GHAERO Cn1ccnc1CC1CCN(C(=O)N[C@H]2CCSc3ccc(F)cc32)CC1 ZINC000178851288 882958071 /nfs/dbraw/zinc/95/80/71/882958071.db2.gz LYOOSSUZKMPRLC-KRWDZBQOSA-N 1 0 388.512 3.760 10 0 GHAERO CC[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1)c1ccc(Cl)cc1 ZINC000180387730 883053678 /nfs/dbraw/zinc/05/36/78/883053678.db2.gz DYCKOPKHTXGCAY-PMACEKPBSA-N 1 0 392.975 3.603 10 0 GHAERO CC[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1)c1ccc(Cl)cc1 ZINC000180387765 883053099 /nfs/dbraw/zinc/05/30/99/883053099.db2.gz DYCKOPKHTXGCAY-UXHICEINSA-N 1 0 392.975 3.603 10 0 GHAERO CN(CC1CC[NH+](C[C@H](O)c2cc(F)ccc2F)CC1)C(=O)OC(C)(C)C ZINC000103494727 881222630 /nfs/dbraw/zinc/22/26/30/881222630.db2.gz CJEPPPTYVWSKCK-SFHVURJKSA-N 1 0 384.467 3.577 10 0 GHAERO COc1ccc([C@H](C)[NH2+]C2CCN(c3ncccn3)CC2)c(Br)c1 ZINC000181501813 883160090 /nfs/dbraw/zinc/16/00/90/883160090.db2.gz WNCDMFRUAQQGEJ-ZDUSSCGKSA-N 1 0 391.313 3.567 10 0 GHAERO CN1CC[NH+]([C@H]2CCCCN(Cc3csc(CCc4ccccc4)n3)C2)CC1 ZINC000182909742 883248658 /nfs/dbraw/zinc/24/86/58/883248658.db2.gz BZYJSGBSMGCOPD-QFIPXVFZSA-N 1 0 398.620 3.530 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)CCCc3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC000184176357 883327282 /nfs/dbraw/zinc/32/72/82/883327282.db2.gz AGHKSWVTKLYQHL-INIZCTEOSA-N 1 0 398.469 3.740 10 0 GHAERO CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000184518192 883350930 /nfs/dbraw/zinc/35/09/30/883350930.db2.gz HJVBZTNYMDTDEF-FPTDNZKUSA-N 1 0 383.467 3.928 10 0 GHAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1)[C@H]1COc2ccccc21 ZINC000185551671 883555670 /nfs/dbraw/zinc/55/56/70/883555670.db2.gz MUMFWFRWIHTGPG-LLGFUMIMSA-N 1 0 379.504 3.768 10 0 GHAERO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000185634115 883568505 /nfs/dbraw/zinc/56/85/05/883568505.db2.gz FHKIYCITNQAUCZ-GUYCJALGSA-N 1 0 394.441 3.827 10 0 GHAERO Cc1nc([C@@H]2CCCN2C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cs1 ZINC000187789022 883807338 /nfs/dbraw/zinc/80/73/38/883807338.db2.gz VAMUQZCNILISCM-OGWOLHLISA-N 1 0 376.570 3.951 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)CCCCCc3ccc(F)cc3)CC2)CCO1 ZINC000189372585 883941317 /nfs/dbraw/zinc/94/13/17/883941317.db2.gz QRVKNELVDFFNAA-SFHVURJKSA-N 1 0 376.516 3.640 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cc(Cl)ccc1F ZINC000116478613 886363247 /nfs/dbraw/zinc/36/32/47/886363247.db2.gz XBYOYBLFSBZFNR-GUYCJALGSA-N 1 0 376.863 3.906 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cccc(Cl)c1F ZINC000116478225 886364113 /nfs/dbraw/zinc/36/41/13/886364113.db2.gz DNBPGSRCMVXHBQ-CJNGLKHVSA-N 1 0 376.863 3.906 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3ccc(-c4nccs4)cc3)CC2)CCO1 ZINC000124414037 886746713 /nfs/dbraw/zinc/74/67/13/886746713.db2.gz KIRMHMCUBUMKHN-OAHLLOKOSA-N 1 0 386.521 3.527 10 0 GHAERO Cc1ccc(NC(=O)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)cc1C(F)(F)F ZINC000125470785 886869623 /nfs/dbraw/zinc/86/96/23/886869623.db2.gz LKTHOJZRTXPDDX-KRWDZBQOSA-N 1 0 398.473 3.648 10 0 GHAERO Cc1cccc(N2CCC([NH2+][C@@H](C)c3cccc(N4CCOC4=O)c3)CC2)n1 ZINC000128147974 887150948 /nfs/dbraw/zinc/15/09/48/887150948.db2.gz JYNVSUFYTSFPQY-KRWDZBQOSA-N 1 0 380.492 3.666 10 0 GHAERO Brc1ccc(-c2nnc(CN[C@@H]3CCCC[C@@H]3n3cccn3)o2)o1 ZINC000128832030 887232313 /nfs/dbraw/zinc/23/23/13/887232313.db2.gz IMMVYZZONIFVGB-NEPJUHHUSA-N 1 0 392.257 3.562 10 0 GHAERO CCCN(CCc1ccccn1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000105091451 887557155 /nfs/dbraw/zinc/55/71/55/887557155.db2.gz YLCXIHGIATVTMJ-UHFFFAOYSA-N 1 0 380.536 3.842 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000245472018 888768197 /nfs/dbraw/zinc/76/81/97/888768197.db2.gz OMTTVXBAAWSJES-BHIYHBOVSA-N 1 0 399.564 3.685 10 0 GHAERO C[C@H](Cc1ccccc1Cl)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000245549540 888907582 /nfs/dbraw/zinc/90/75/82/888907582.db2.gz OGIDVFXYSYFPNQ-LLGFUMIMSA-N 1 0 385.939 3.940 10 0 GHAERO CCc1nn(C)c(Cl)c1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245682026 889215323 /nfs/dbraw/zinc/21/53/23/889215323.db2.gz PGWGSEKRMMENRD-RDJZCZTQSA-N 1 0 388.943 3.761 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(CCC(F)(F)F)CC1CC1 ZINC000245861803 889878948 /nfs/dbraw/zinc/87/89/48/889878948.db2.gz CGUUHHAUIDSNQK-CRAIPNDOSA-N 1 0 398.473 3.666 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000246000698 890158888 /nfs/dbraw/zinc/15/88/88/890158888.db2.gz IPNNPLQZYIFKTG-SCLBCKFNSA-N 1 0 395.400 3.880 10 0 GHAERO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CCC[C@@H](c2nccs2)C1 ZINC000246643478 891295214 /nfs/dbraw/zinc/29/52/14/891295214.db2.gz AFXVLFFGQXRNFP-WOJBJXKFSA-N 1 0 398.576 3.597 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc2nc(Cl)ccc2c1 ZINC000246815012 891310299 /nfs/dbraw/zinc/31/02/99/891310299.db2.gz BSHDQBMYFYTEFS-HNAYVOBHSA-N 1 0 394.906 3.924 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1cc(F)c(F)c(F)c1 ZINC000247178350 891351409 /nfs/dbraw/zinc/35/14/09/891351409.db2.gz YWZDSIWQPSICRQ-YVEFUNNKSA-N 1 0 378.398 3.531 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)C1(c2cccc(F)c2)CCC1 ZINC000247309941 891365746 /nfs/dbraw/zinc/36/57/46/891365746.db2.gz VVEBXVJECJZLPL-LAUBAEHRSA-N 1 0 381.495 3.669 10 0 GHAERO Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000248136109 891412938 /nfs/dbraw/zinc/41/29/38/891412938.db2.gz XMVWLVZARNUZKI-XLIONFOSSA-N 1 0 381.501 3.816 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)C1(Cc2cccc(F)c2)CCC1 ZINC000248463042 891438526 /nfs/dbraw/zinc/43/85/26/891438526.db2.gz ACEPYIJQKZOKKT-XMSQKQJNSA-N 1 0 395.522 3.960 10 0 GHAERO CSCCCCCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248483616 891439881 /nfs/dbraw/zinc/43/98/81/891439881.db2.gz JOHOJISWFMIWEE-IEBWSBKVSA-N 1 0 378.586 3.515 10 0 GHAERO CC(=O)Nc1cc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1C ZINC000248828216 891473510 /nfs/dbraw/zinc/47/35/10/891473510.db2.gz MEHZKWSINBISLB-IIBYNOLFSA-N 1 0 380.492 3.595 10 0 GHAERO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000248924000 891481847 /nfs/dbraw/zinc/48/18/47/891481847.db2.gz WZCBEANNVJDHEG-CSMYWGQOSA-N 1 0 381.314 3.713 10 0 GHAERO CN1CC[C@@H](C[NH2+]Cc2cn(C(C)(C)C)nn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000249336734 891503265 /nfs/dbraw/zinc/50/32/65/891503265.db2.gz CUSZGFLGEQZBJJ-KSSFIOAISA-N 1 0 379.911 3.608 10 0 GHAERO CCC[N@@H+]1CCCN(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)CC1 ZINC000079028694 892179668 /nfs/dbraw/zinc/17/96/68/892179668.db2.gz MUZQUZCNIHMHKQ-UHFFFAOYSA-N 1 0 386.540 3.508 10 0 GHAERO COc1ccc(OC)c([C@@H](C)NCC(=O)Nc2ccccc2OC(F)F)c1 ZINC000102695730 898023466 /nfs/dbraw/zinc/02/34/66/898023466.db2.gz OWMIHTJPZPFGNU-GFCCVEGCSA-N 1 0 380.391 3.595 10 0 GHAERO Cc1ccc(NC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1C(F)(F)F ZINC000333093692 899953499 /nfs/dbraw/zinc/95/34/99/899953499.db2.gz CUZXRFOJCJZECG-SJORKVTESA-N 1 0 385.430 3.764 10 0 GHAERO Cc1cc(Br)cc(NC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000333252303 901941570 /nfs/dbraw/zinc/94/15/70/901941570.db2.gz CRAOZIMLTTXSNZ-IAGOWNOFSA-N 1 0 396.329 3.508 10 0 GHAERO [NH3+][C@H]1CCCO[C@@H]1C1CCN(c2nccc3cc(C(F)(F)F)ccc32)CC1 ZINC000333716071 902287640 /nfs/dbraw/zinc/28/76/40/902287640.db2.gz TVOZJVUTRIGAQV-ZWKOTPCHSA-N 1 0 379.426 3.976 10 0 GHAERO Cc1nc([C@@H]2CCCN2C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)cs1 ZINC000190009333 908400737 /nfs/dbraw/zinc/40/07/37/908400737.db2.gz HJGLEQDRQAFIBT-NRFANRHFSA-N 1 0 399.560 3.633 10 0 GHAERO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N1N=C(c2ccccc2)[C@H](Cc2ccccc2)C1=O ZINC000255970474 209222591 /nfs/dbraw/zinc/22/25/91/209222591.db2.gz DWQLEFWPQKQLLI-RPHTVSPISA-N 1 0 375.516 3.821 10 0 GHAERO C[N@@H+]1C[C@H](CCOC(=O)C(O)(c2ccccc2)c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000169292417 209184826 /nfs/dbraw/zinc/18/48/26/209184826.db2.gz CCZXHOQYLPLQNP-VJBMBRPKSA-N 1 0 393.527 3.976 10 0 in-man GHAERO COC(=O)[C@H]1C[C@@H](O)CN1C1(c2ccccc2)c2ccccc2-c2ccccc21 ZINC000098091973 212075436 /nfs/dbraw/zinc/07/54/36/212075436.db2.gz MJIVTEQYUJILHQ-WZONZLPQSA-N 1 0 385.463 3.567 10 0 GHAERO CCOC(=O)c1csc(N2[NH2+]C(C(C)(C)C)=C[C@@]2(O)C(F)(F)C(F)F)n1 ZINC000001415796 212061034 /nfs/dbraw/zinc/06/10/34/212061034.db2.gz SHAPIAVWEAGWLL-CQSZACIVSA-N 1 0 397.394 3.521 10 0 GHAERO Cc1ccc([C@@](C(=O)c2ccccc2)([C@H](C)CN2CCOCC2)[NH+](C)C)cc1 ZINC000096346637 211336909 /nfs/dbraw/zinc/33/69/09/211336909.db2.gz QYAQXEYNEKWMSN-HYBUGGRVSA-N 1 0 380.532 3.603 10 0 GHAERO CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cnc(Cl)nc1Cl ZINC000095086530 211219077 /nfs/dbraw/zinc/21/90/77/211219077.db2.gz QJASWWWUXRMTAT-GFCCVEGCSA-N 1 0 375.300 3.663 10 0 GHAERO CC[NH+](CC)CCC(=O)Nc1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C ZINC000071973628 211066334 /nfs/dbraw/zinc/06/63/34/211066334.db2.gz VAMSRVIXUWPRKL-ATVHPVEESA-N 1 0 398.482 3.934 10 0 GHAERO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccc(I)cc1 ZINC000038009648 210409761 /nfs/dbraw/zinc/40/97/61/210409761.db2.gz VJNHMNVLLZFNLZ-LRDDRELGSA-N 1 0 379.241 3.946 10 0 GHAERO CCCOc1c(C[NH2+]CCCn2ccnc2)cc(Br)cc1OC ZINC000020934400 210370851 /nfs/dbraw/zinc/37/08/51/210370851.db2.gz OLYIQEFDZAAGLH-UHFFFAOYSA-N 1 0 382.302 3.623 10 0 GHAERO COc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3cc(C)c(C)o3)C2)CC1 ZINC000020534282 210345950 /nfs/dbraw/zinc/34/59/50/210345950.db2.gz DHFXSQANPLSCRA-FQEVSTJZSA-N 1 0 383.536 3.692 10 0 GHAERO CCOc1cc(C[NH2+]CCOCCO)cc(Cl)c1OCc1ccc(C)cc1 ZINC000010436358 570570795 /nfs/dbraw/zinc/57/07/95/570570795.db2.gz WRXQFCSFFCMXMS-UHFFFAOYSA-N 1 0 393.911 3.725 10 0 GHAERO CC(C)N(CC[NH+]1CCCCCC1)Cc1ccc(Sc2nncn2C)o1 ZINC000055369288 570692917 /nfs/dbraw/zinc/69/29/17/570692917.db2.gz LRVGYICTOZQHAV-UHFFFAOYSA-N 1 0 377.558 3.646 10 0 GHAERO Cc1nonc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000023231541 570989777 /nfs/dbraw/zinc/98/97/77/570989777.db2.gz LIXASQRMLJSOEC-JOCHJYFZSA-N 1 0 382.508 3.630 10 0 GHAERO CS(=O)(=O)c1cccc([C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)c2ccccc2)c1 ZINC000157767567 835083678 /nfs/dbraw/zinc/08/36/78/835083678.db2.gz ITWCYKPZENTASJ-BAGYTPMASA-N 1 0 385.529 3.727 10 0 GHAERO Cc1onc(-c2ccccc2)c1-c1nnc(CN2C[C@@H]3CCCC[N@H+]3C[C@H]2C)o1 ZINC000329682873 835673767 /nfs/dbraw/zinc/67/37/67/835673767.db2.gz YVAUPUCGACVRRC-QAPCUYQASA-N 1 0 393.491 3.759 10 0 GHAERO CC[C@@H](NC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1nccs1 ZINC000177540042 838014229 /nfs/dbraw/zinc/01/42/29/838014229.db2.gz UMGPHCFSNKMWDL-SOLBZPMBSA-N 1 0 394.585 3.515 10 0 GHAERO COc1cccc([C@@H]2[C@@H](NC(=O)/C=C\c3cncc(C)c3)CC[N@@H+]2C2CC2)c1 ZINC000588396715 840517575 /nfs/dbraw/zinc/51/75/75/840517575.db2.gz WURAEBIWBPFBEF-BDVPDHEMSA-N 1 0 377.488 3.506 10 0 GHAERO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)/C=C\c2ncccc2C)CC1 ZINC000588452536 843309894 /nfs/dbraw/zinc/30/98/94/843309894.db2.gz PDVFTSDMTRWVFE-IZTUGPKFSA-N 1 0 396.510 3.562 10 0 GHAERO O=C(N[C@@H]1CCCc2[nH]c(=O)ccc21)[C@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000333579738 847718251 /nfs/dbraw/zinc/71/82/51/847718251.db2.gz VNNKSJQWWBBTDO-JLGINSKQSA-N 1 0 391.515 3.583 10 0 GHAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000237857782 848741809 /nfs/dbraw/zinc/74/18/09/848741809.db2.gz WLXXQRIYRILJNM-FUNVUKJBSA-N 1 0 398.816 3.557 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCc1cn(C)c2ccccc12 ZINC000155229520 849483119 /nfs/dbraw/zinc/48/31/19/849483119.db2.gz UGLBBBFFDMPCFJ-AVRDEDQJSA-N 1 0 390.531 3.533 10 0 GHAERO COc1ccc([C@H](C)NC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)cc1F ZINC000101621460 851743022 /nfs/dbraw/zinc/74/30/22/851743022.db2.gz NUKUMOCWUFYVNQ-MAUKXSAKSA-N 1 0 389.471 3.933 10 0 GHAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000101786792 851907816 /nfs/dbraw/zinc/90/78/16/851907816.db2.gz GEOCOPDRLGUONN-UTKZUKDTSA-N 1 0 393.535 3.692 10 0 GHAERO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)C(=O)C[C@H]1CCCCNC1=O ZINC000329820067 862343549 /nfs/dbraw/zinc/34/35/49/862343549.db2.gz GLBDPJWINNELHK-MXKPZRPRSA-N 1 0 385.552 3.748 10 0 GHAERO CCc1noc([C@@H](C)[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)n1 ZINC000330183126 862643314 /nfs/dbraw/zinc/64/33/14/862643314.db2.gz POLCOHVJGNFORL-IUSZMWJPSA-N 1 0 379.464 3.797 10 0 GHAERO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000246975219 855346836 /nfs/dbraw/zinc/34/68/36/855346836.db2.gz JSGLULVOGQHMEA-UCFCWBNQSA-N 1 0 399.579 3.898 10 0 GHAERO Cn1nccc1[C@H]1[C@H]([NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CCC(=O)N1C1CC1 ZINC000329063202 860986360 /nfs/dbraw/zinc/98/63/60/860986360.db2.gz ZTRVAGCGHVSLFT-VKFKNLQPSA-N 1 0 392.547 3.715 10 0 GHAERO C[NH+](C)[C@@H](CNC(=O)N[C@H](c1ccccc1)c1ccncc1)C1CCCCC1 ZINC000103246294 863923643 /nfs/dbraw/zinc/92/36/43/863923643.db2.gz PCSURKVZODWIDS-FCHUYYIVSA-N 1 0 380.536 3.981 10 0 GHAERO C[NH+]1CCN(c2cc(C(=O)N(C3CC3)[C@H]3CCCc4ccccc43)ccn2)CC1 ZINC000104051919 864165612 /nfs/dbraw/zinc/16/56/12/864165612.db2.gz YCGIRYQYQIFSPS-QFIPXVFZSA-N 1 0 390.531 3.516 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cc(C4CC4)nc4ccc(F)cc43)CC2)CCO1 ZINC000173252751 882345014 /nfs/dbraw/zinc/34/50/14/882345014.db2.gz NUMJLGCPNNOJHS-OAHLLOKOSA-N 1 0 397.494 3.577 10 0 GHAERO CC[C@H](Cc1ccccc1)N(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000175016844 882515207 /nfs/dbraw/zinc/51/52/07/882515207.db2.gz MUUDSDDULFLKCT-WWPVKYPJSA-N 1 0 394.563 3.955 10 0 GHAERO C[C@H](C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1)c1ccc2ccccc2c1 ZINC000175550987 882596016 /nfs/dbraw/zinc/59/60/16/882596016.db2.gz INTCBQWUMMZVTI-CVDCTZTESA-N 1 0 379.548 3.572 10 0 GHAERO CCOc1ccc(OC)cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116499095 873519782 /nfs/dbraw/zinc/51/97/82/873519782.db2.gz FZOUOLCMAKUOLD-LPHOPBHVSA-N 1 0 398.507 3.521 10 0 GHAERO CCOC(=O)c1c(C)c(C)sc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000178821725 882955142 /nfs/dbraw/zinc/95/51/42/882955142.db2.gz RKHVBFRVRLVKJY-UHFFFAOYSA-N 1 0 379.526 3.634 10 0 GHAERO Cc1cccc2c(CCC(=O)N[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)c[nH]c21 ZINC000121189397 876580844 /nfs/dbraw/zinc/58/08/44/876580844.db2.gz WHFBVTBNBWITEM-PGRDOPGGSA-N 1 0 390.531 3.831 10 0 GHAERO Cc1cc(NC(=O)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)ccc1C(F)(F)F ZINC000180526155 883078765 /nfs/dbraw/zinc/07/87/65/883078765.db2.gz FIAOMKYXQXCMSG-KRWDZBQOSA-N 1 0 398.473 3.648 10 0 GHAERO CC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(OC)cc1 ZINC000180858738 883103446 /nfs/dbraw/zinc/10/34/46/883103446.db2.gz JKTILJNYJOKNES-BULFRSBZSA-N 1 0 381.520 3.611 10 0 GHAERO CC[N@H+](Cc1ccc(C(=O)N2CCC(Cc3nccn3C)CC2)cc1)C(C)C ZINC000121934422 878055771 /nfs/dbraw/zinc/05/57/71/878055771.db2.gz DXMQUFXMYSKNTE-UHFFFAOYSA-N 1 0 382.552 3.745 10 0 GHAERO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000182536782 883225321 /nfs/dbraw/zinc/22/53/21/883225321.db2.gz FZNHGLJLSWSTLR-AOMKIAJQSA-N 1 0 395.503 3.668 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)CCc2ccc3c(c2)OCO3)c2ccc(F)cc2C1 ZINC000184517581 883351331 /nfs/dbraw/zinc/35/13/31/883351331.db2.gz SYEHALDZTQLGRH-BTYIYWSLSA-N 1 0 398.478 3.959 10 0 GHAERO Cc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(-c2ccccc2)o1 ZINC000184896718 883390780 /nfs/dbraw/zinc/39/07/80/883390780.db2.gz DOUUJNJUXMDZKO-JXFKEZNVSA-N 1 0 390.487 3.685 10 0 GHAERO CC(=O)N1CC[C@@H]([NH2+]Cc2cnc(-c3ccccc3)[nH]2)c2ccc(F)cc2C1 ZINC000185362407 883440761 /nfs/dbraw/zinc/44/07/61/883440761.db2.gz JSWQYCZDBCAQMO-OAQYLSRUSA-N 1 0 378.451 3.799 10 0 GHAERO O=S1(=O)CC[C@@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)c2ccccc21 ZINC000186256350 883626016 /nfs/dbraw/zinc/62/60/16/883626016.db2.gz AJQCAANMBCNADM-GOSISDBHSA-N 1 0 386.448 3.532 10 0 GHAERO O=C(Nc1ccc(OC(F)F)c2cccnc12)N1CCC([NH+]2CCCC2)CC1 ZINC000186967474 883739383 /nfs/dbraw/zinc/73/93/83/883739383.db2.gz IUGBUOCVCUTHKY-UHFFFAOYSA-N 1 0 390.434 3.928 10 0 GHAERO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC000188593993 883844186 /nfs/dbraw/zinc/84/41/86/883844186.db2.gz UJAPGJXYVUJIIL-IBGZPJMESA-N 1 0 382.508 3.838 10 0 GHAERO CCCNc1ccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000192491456 884265309 /nfs/dbraw/zinc/26/53/09/884265309.db2.gz DBPPYIYHPJIIET-AVRDEDQJSA-N 1 0 395.551 3.613 10 0 GHAERO O=C(NC[C@@H]1CCCCN1Cc1nc(-c2ccoc2)no1)Nc1ccccc1 ZINC000105607977 884821577 /nfs/dbraw/zinc/82/15/77/884821577.db2.gz MFVKGJDMDKKJSC-KRWDZBQOSA-N 1 0 381.436 3.506 10 0 GHAERO O=C1CC[C@@H]2C[N@H+](C[C@@H](O)c3ccc(Cl)cc3Cl)CC[C@H]2N1C1CC1 ZINC000120191483 886504255 /nfs/dbraw/zinc/50/42/55/886504255.db2.gz IYPZSQXYVZCMIT-NXOUGTEYSA-N 1 0 383.319 3.502 10 0 GHAERO CC(C)Cn1cc(C(F)F)c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000120561021 886525745 /nfs/dbraw/zinc/52/57/45/886525745.db2.gz UXZJXQFGGYUFBC-WMLDXEAASA-N 1 0 380.483 3.566 10 0 GHAERO CC1(C)CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)[C@H]1c1cccs1 ZINC000332834516 886553106 /nfs/dbraw/zinc/55/31/06/886553106.db2.gz CSDVEDDVWCAUOP-LMMKCTJWSA-N 1 0 391.581 3.609 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3ccc4c5c(cccc53)CC4)CC2)CCO1 ZINC000124513664 886761624 /nfs/dbraw/zinc/76/16/24/886761624.db2.gz CXEOZAIZVKYEEX-INIZCTEOSA-N 1 0 379.504 3.655 10 0 GHAERO Cc1ccnc(Oc2ccc(NC(=O)N3CCC([NH+]4CCCC4)CC3)cc2)n1 ZINC000124770161 886792735 /nfs/dbraw/zinc/79/27/35/886792735.db2.gz KZNWMAZRHFEUFA-UHFFFAOYSA-N 1 0 381.480 3.669 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3ccccc3OC3CCCC3)CC2)CCO1 ZINC000124822477 886802844 /nfs/dbraw/zinc/80/28/44/886802844.db2.gz UCRJMLYXENTDKU-KRWDZBQOSA-N 1 0 387.524 3.725 10 0 GHAERO CC1CCN(C(=O)c2ccc(NC(=O)N3CCC([NH+]4CCCC4)CC3)cc2)CC1 ZINC000056765263 888377134 /nfs/dbraw/zinc/37/71/34/888377134.db2.gz OQDKVZIZRQYMMC-UHFFFAOYSA-N 1 0 398.551 3.651 10 0 GHAERO CCCOc1c(Cl)cc(C(=O)N2CCC([NH+]3CCCC3)CC2)cc1OC ZINC000059923363 888463910 /nfs/dbraw/zinc/46/39/10/888463910.db2.gz ZLZHBUGJZTVHQH-UHFFFAOYSA-N 1 0 380.916 3.838 10 0 GHAERO Cn1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c(-c2cccnc2)n1 ZINC000245734151 889558880 /nfs/dbraw/zinc/55/88/80/889558880.db2.gz FMECBMSEUVKGOK-NHCUHLMSSA-N 1 0 380.467 3.709 10 0 GHAERO Cc1cc(C(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c(C)n1CC(F)(F)F ZINC000245739265 889594300 /nfs/dbraw/zinc/59/43/00/889594300.db2.gz XAPSVTYOHRYWCW-DYVFJYSZSA-N 1 0 382.430 3.630 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc4ccccc4c3)CC2)CCO1 ZINC000246251671 890846031 /nfs/dbraw/zinc/84/60/31/890846031.db2.gz LTZVOGCGFSLORE-MQNAVGNWSA-N 1 0 378.516 3.655 10 0 GHAERO Cc1csc([C@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C2CC2)n1 ZINC000246315735 890998893 /nfs/dbraw/zinc/99/88/93/890998893.db2.gz NTLWRIJAPYFAPH-MDASCCDHSA-N 1 0 399.564 3.507 10 0 GHAERO Cc1csc([C@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C2CC2)n1 ZINC000246315763 890998974 /nfs/dbraw/zinc/99/89/74/890998974.db2.gz NTLWRIJAPYFAPH-NIKGAXFTSA-N 1 0 399.564 3.507 10 0 GHAERO O=C(CN1CCC([NH+]2CCCC2)CC1)Nc1c(Cl)cccc1C(F)(F)F ZINC000066533824 891124241 /nfs/dbraw/zinc/12/42/41/891124241.db2.gz XMUYHYCEVBXWLV-UHFFFAOYSA-N 1 0 389.849 3.858 10 0 GHAERO COc1cc(F)c(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1OC ZINC000246408582 891230019 /nfs/dbraw/zinc/23/00/19/891230019.db2.gz JEAFZWVAWUOMQU-DJJJIMSYSA-N 1 0 392.496 3.717 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)C1(Cc2ccccc2)CCC1 ZINC000246630052 891293481 /nfs/dbraw/zinc/29/34/81/891293481.db2.gz SSWLNQVVEKDDRC-SIKLNZKXSA-N 1 0 377.532 3.821 10 0 GHAERO C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]2OC(=O)c3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000246700884 891299169 /nfs/dbraw/zinc/29/91/69/891299169.db2.gz RBCISGGYKLPPFO-LZNRXBQRSA-N 1 0 392.499 3.800 10 0 GHAERO CCn1nc(C)c(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1Cl ZINC000246860286 891317493 /nfs/dbraw/zinc/31/74/93/891317493.db2.gz VPZVAMVGRIXSEI-YJBOKZPZSA-N 1 0 388.943 3.990 10 0 GHAERO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000247015881 891332907 /nfs/dbraw/zinc/33/29/07/891332907.db2.gz LWICMELKVCSKLH-RBUKOAKNSA-N 1 0 386.517 3.867 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000247046980 891337995 /nfs/dbraw/zinc/33/79/95/891337995.db2.gz APQJCUXXIPQCLE-OXJNMPFZSA-N 1 0 383.923 3.793 10 0 GHAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(NC(=O)Nc3ccccc3)s2)C1 ZINC000247113524 891369912 /nfs/dbraw/zinc/36/99/12/891369912.db2.gz LRWASBZTMGYJGV-RDJZCZTQSA-N 1 0 398.532 3.948 10 0 GHAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccccc3NC(=O)c3ccsc3)CC[C@H]21 ZINC000247992799 891405673 /nfs/dbraw/zinc/40/56/73/891405673.db2.gz JOJUAXDXIJHDQN-DNVCBOLYSA-N 1 0 383.517 3.557 10 0 GHAERO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(NC(=O)C3CC3)cc2)[C@H]1c1ccccc1 ZINC000248141938 891412659 /nfs/dbraw/zinc/41/26/59/891412659.db2.gz YQYJMXNJWRKGHC-VQTJNVASSA-N 1 0 378.476 3.602 10 0 GHAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(COCc4ccco4)c3)CC[C@H]21 ZINC000248163773 891414435 /nfs/dbraw/zinc/41/44/35/891414435.db2.gz SOWQLLHPNUWFOY-WIYYLYMNSA-N 1 0 383.492 3.944 10 0 GHAERO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(NC(=O)c4cccs4)c3)CC[C@H]21 ZINC000248182083 891415607 /nfs/dbraw/zinc/41/56/07/891415607.db2.gz WPBLYDFAOLXEFI-MAUKXSAKSA-N 1 0 398.532 3.948 10 0 GHAERO Cc1c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)cnn1-c1ccccn1 ZINC000248198572 891416147 /nfs/dbraw/zinc/41/61/47/891416147.db2.gz XWLPMXGSWKNFQV-KGVIQGDOSA-N 1 0 390.535 3.532 10 0 GHAERO Cc1cnccc1CNC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249276073 891503040 /nfs/dbraw/zinc/50/30/40/891503040.db2.gz MLRKHLUWAQLWMO-LPHOPBHVSA-N 1 0 390.890 3.675 10 0 GHAERO COc1ccc(/C=C(\C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1F ZINC000252952264 891793455 /nfs/dbraw/zinc/79/34/55/891793455.db2.gz NJADZAVQFZUKBF-WLVHGYOUSA-N 1 0 397.494 3.659 10 0 GHAERO Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000253551712 891878007 /nfs/dbraw/zinc/87/80/07/891878007.db2.gz XOJJXEYWSAGPCM-MAUKXSAKSA-N 1 0 396.535 3.571 10 0 GHAERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1ncnc2c3ccccc3oc21 ZINC000333093185 899954091 /nfs/dbraw/zinc/95/40/91/899954091.db2.gz ZYSAUKGPMWCLPC-MGPUTAFESA-N 1 0 390.491 3.629 10 0 GHAERO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC000333102034 899962148 /nfs/dbraw/zinc/96/21/48/899962148.db2.gz AVTSYCFSMOTTNT-HOCLYGCPSA-N 1 0 390.286 3.883 10 0 GHAERO Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333103203 899963739 /nfs/dbraw/zinc/96/37/39/899963739.db2.gz CPAWVGZHXOAURA-WBVHZDCISA-N 1 0 385.430 3.764 10 0 GHAERO Cc1coc(-c2cc(NC(=O)N3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)ccc2C)n1 ZINC000333136563 899990601 /nfs/dbraw/zinc/99/06/01/899990601.db2.gz KHKBHZIEPMNUNW-VQTJNVASSA-N 1 0 398.507 3.709 10 0 GHAERO Cc1coc(-c2ccc(C)c(NC(=O)N3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)c2)n1 ZINC000333185263 900018652 /nfs/dbraw/zinc/01/86/52/900018652.db2.gz QRFSDBPWGCIJEG-ICSRJNTNSA-N 1 0 398.507 3.709 10 0 GHAERO Cc1c(Br)cccc1NC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333209892 900038711 /nfs/dbraw/zinc/03/87/11/900038711.db2.gz ZLVBRMHFEYHRSJ-WBVHZDCISA-N 1 0 396.329 3.508 10 0 GHAERO CC(C)(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cccc(-n4cccn4)c3)C2)C1 ZINC000014978358 210137413 /nfs/dbraw/zinc/13/74/13/210137413.db2.gz JDCSLBBHPAXHQH-HSZRJFAPSA-N 1 0 380.536 3.847 10 0 GHAERO Cn1cc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCC(=O)N2)c(-c2ccccc2F)n1 ZINC000013595880 210071394 /nfs/dbraw/zinc/07/13/94/210071394.db2.gz JJQASPVVCCNOEP-IBGZPJMESA-N 1 0 392.478 3.507 10 0 GHAERO Cc1cccc(C[NH+]2CCN(c3nncc(-c4cc5ccccc5o4)n3)CC2)c1 ZINC000012755249 210002048 /nfs/dbraw/zinc/00/20/48/210002048.db2.gz ZOEDWFZLZBQDAT-UHFFFAOYSA-N 1 0 385.471 3.915 10 0 GHAERO COC(=O)[C@@H]1Cc2ncn(Cc3ccc(Cl)cc3)c2CN1Cc1ccccc1 ZINC000015707032 291132356 /nfs/dbraw/zinc/13/23/56/291132356.db2.gz UUEWMOKBNPDPCE-FQEVSTJZSA-N 1 0 395.890 3.685 10 0 biogenic GHAERO CCOC(=O)c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1nccnn1 ZINC000005333824 209588210 /nfs/dbraw/zinc/58/82/10/209588210.db2.gz QHHDXEWMHHSNRC-UHFFFAOYSA-N 1 0 383.431 3.659 10 0 GHAERO Fc1cc2cccnc2c(C[NH2+]C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)c1 ZINC000328638144 209149986 /nfs/dbraw/zinc/14/99/86/209149986.db2.gz OYPBNFAXAQYRHY-LBPRGKRZSA-N 1 0 378.373 3.941 10 0 GHAERO CCN1CCC[C@@H](C[N@H+](C)C[C@H](O)c2ccccc2Cl)[C@@H]1c1cnn(C)c1 ZINC000328625336 209148086 /nfs/dbraw/zinc/14/80/86/209148086.db2.gz CZWUUAJWHPFALC-ORYQWCPZSA-N 1 0 390.959 3.512 10 0 GHAERO Fc1ccc(-c2cnc3n2CCNC32CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000096145060 211308267 /nfs/dbraw/zinc/30/82/67/211308267.db2.gz MXXIVNMSFBFGJH-UHFFFAOYSA-N 1 0 382.508 3.845 10 0 GHAERO COc1ccc(-c2nc(NC[C@@H]3CCC[NH2+]C3)cc(-c3ccccn3)n2)cc1 ZINC000073684842 523221261 /nfs/dbraw/zinc/22/12/61/523221261.db2.gz RMIPTEYQDPWVQW-MRXNPFEDSA-N 1 0 375.476 3.626 10 0 GHAERO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH+]2CCN(C/C=C\c3ccccc3)CC2)C1 ZINC000588616895 835064704 /nfs/dbraw/zinc/06/47/04/835064704.db2.gz AFCCOOXXBXKIEF-CNGNEYMMSA-N 1 0 399.579 3.965 10 0 GHAERO O=C(c1ccn(-c2cccc(C(F)(F)F)c2)n1)N1CCC([NH+]2CCCC2)CC1 ZINC000158531903 835425039 /nfs/dbraw/zinc/42/50/39/835425039.db2.gz FNPMDQGYTADXQG-UHFFFAOYSA-N 1 0 392.425 3.592 10 0 GHAERO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000332708074 836473639 /nfs/dbraw/zinc/47/36/39/836473639.db2.gz XDWKZFPYOIUWEP-KGXLCCSFSA-N 1 0 388.596 3.721 10 0 GHAERO C[C@@H]1C[N@@H+](CC2CCN(C(=O)Nc3ncc(C(C)(C)C)s3)CC2)C[C@H](C)O1 ZINC000408413508 844172205 /nfs/dbraw/zinc/17/22/05/844172205.db2.gz DDASNNFZAWQPJD-GASCZTMLSA-N 1 0 394.585 3.794 10 0 GHAERO C/C(=C/c1ccc(F)cc1)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000588432905 842396302 /nfs/dbraw/zinc/39/63/02/842396302.db2.gz BZRPXJYPATYNJV-DAKPFUFHSA-N 1 0 382.479 3.502 10 0 GHAERO COc1cccc([C@@H]2[C@H](NC(=O)/C=C\c3ccc(O)cc3)CC[N@@H+]2C2CC2)c1 ZINC000588466450 843729252 /nfs/dbraw/zinc/72/92/52/843729252.db2.gz CBYNRDHQXPWQAM-CCVZUGBHSA-N 1 0 378.472 3.508 10 0 GHAERO Cc1cc2occ(CC(=O)N3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)c2cc1C(C)C ZINC000333319403 844645148 /nfs/dbraw/zinc/64/51/48/844645148.db2.gz UEUSGFNUNPIHDS-RTWAWAEBSA-N 1 0 396.531 3.634 10 0 GHAERO Cc1c([C@H]2[C@H]([NH2+][C@H]3C[C@H](c4ccccc4)C[C@H](C)C3)CC(=O)N2C)cnn1C ZINC000329910586 862416958 /nfs/dbraw/zinc/41/69/58/862416958.db2.gz VYDIWNRXSCGZTO-CZSGMCBZSA-N 1 0 380.536 3.562 10 0 GHAERO Cc1ccc(CCC2CCN(C(=O)C[NH2+][C@H]3CCC(=O)NC34CCC4)CC2)cc1 ZINC000328684044 854508336 /nfs/dbraw/zinc/50/83/36/854508336.db2.gz DVDRNMZIPKLTNO-NRFANRHFSA-N 1 0 397.563 3.797 10 0 GHAERO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(-c3ccc(F)cc3)c2)[C@@H](C)C1 ZINC000330153079 862619708 /nfs/dbraw/zinc/61/97/08/862619708.db2.gz WZUJKUREMAFBMI-PCIJJRPDSA-N 1 0 398.526 3.945 10 0 GHAERO COc1ccc([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccc(SC)cc2)cc1F ZINC000102700019 860822136 /nfs/dbraw/zinc/82/21/36/860822136.db2.gz ATKTVGPZURDDAZ-CQSZACIVSA-N 1 0 376.497 3.865 10 0 GHAERO COc1ccc([C@H](C)[NH2+]CC(=O)N(C)Cc2c(F)cccc2Cl)cc1F ZINC000102699654 860822214 /nfs/dbraw/zinc/82/22/14/860822214.db2.gz LNAJMSWMUAZPIV-LBPRGKRZSA-N 1 0 382.838 3.936 10 0 GHAERO COc1ccc2nc(C(=O)N3CCC[C@@H](C[NH+]4CCCCCC4)C3)ccc2c1 ZINC000103094632 863863160 /nfs/dbraw/zinc/86/31/60/863863160.db2.gz QLDYRVIDFOGLSE-SFHVURJKSA-N 1 0 381.520 3.972 10 0 GHAERO C[N@H+](CCCNC(=O)N[C@@H](c1ccccc1)c1ccncc1)Cc1ccccc1 ZINC000103177681 863902322 /nfs/dbraw/zinc/90/23/22/863902322.db2.gz NPXYLHFLDLMGFJ-QHCPKHFHSA-N 1 0 388.515 3.992 10 0 GHAERO C[N@H+](CCCNC(=O)N[C@H](c1ccccc1)c1ccncc1)Cc1ccccc1 ZINC000103177682 863902509 /nfs/dbraw/zinc/90/25/09/863902509.db2.gz NPXYLHFLDLMGFJ-HSZRJFAPSA-N 1 0 388.515 3.992 10 0 GHAERO COc1ccc([C@H](C)NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1F ZINC000103185336 863907053 /nfs/dbraw/zinc/90/70/53/863907053.db2.gz MPGBXNGEPSRMTK-PKOBYXMFSA-N 1 0 399.510 3.759 10 0 GHAERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000103285805 863939402 /nfs/dbraw/zinc/93/94/02/863939402.db2.gz ZWIDGHALHOPFSR-RDJZCZTQSA-N 1 0 396.922 3.824 10 0 GHAERO COc1ccccc1CCN(C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000103847164 864060870 /nfs/dbraw/zinc/06/08/70/864060870.db2.gz ARYCMLJAQYQRRW-UHFFFAOYSA-N 1 0 381.520 3.544 10 0 GHAERO Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000174915288 882507679 /nfs/dbraw/zinc/50/76/79/882507679.db2.gz PYFJXZFMGLROIX-AWEZNQCLSA-N 1 0 385.430 3.731 10 0 GHAERO COc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)ccc1OCc1c(C)noc1C ZINC000093507447 882554386 /nfs/dbraw/zinc/55/43/86/882554386.db2.gz FQVQLQXDAAFGAW-QUCCMNQESA-N 1 0 386.492 3.880 10 0 GHAERO CN(C(=O)Nc1ccc([S@](C)=O)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000175740251 882619568 /nfs/dbraw/zinc/61/95/68/882619568.db2.gz IHMMZEZQQPAJLB-MHZLTWQESA-N 1 0 385.533 3.552 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1csc(-c2ccsc2)n1 ZINC000116245165 873365897 /nfs/dbraw/zinc/36/58/97/873365897.db2.gz BWAVIOXDKVISQF-YOEHRIQHSA-N 1 0 398.557 3.907 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CSc1ccc(Cl)cc1 ZINC000116248166 873367781 /nfs/dbraw/zinc/36/77/81/873367781.db2.gz AZQUJJGWXIDOFI-KXBFYZLASA-N 1 0 389.952 3.854 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc(F)c(F)c1F ZINC000116475317 873512812 /nfs/dbraw/zinc/51/28/12/873512812.db2.gz DEVNBYFIBNQMOC-WFASDCNBSA-N 1 0 378.398 3.531 10 0 GHAERO Cc1nc(N2CCOCC2)ccc1NC(=O)N1CC=C(c2cccs2)CC1 ZINC000119283985 875046533 /nfs/dbraw/zinc/04/65/33/875046533.db2.gz RSHNSCXUEQZVRL-UHFFFAOYSA-N 1 0 384.505 3.609 10 0 GHAERO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(O)c(OC)c2)CC1)c1ccccc1 ZINC000180120540 883021922 /nfs/dbraw/zinc/02/19/22/883021922.db2.gz QBNGHXUSJNCRAB-HXUWFJFHSA-N 1 0 382.504 3.675 10 0 GHAERO O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000179943217 883039232 /nfs/dbraw/zinc/03/92/32/883039232.db2.gz JZXHJVQHLSJMSP-MOPGFXCFSA-N 1 0 395.906 3.579 10 0 GHAERO C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1)c1ccc2ccccc2c1 ZINC000180381523 883053876 /nfs/dbraw/zinc/05/38/76/883053876.db2.gz YDDVQQSTGFZGFO-CVDCTZTESA-N 1 0 394.563 3.712 10 0 GHAERO C[C@@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1ccc(OCc2nccn2C)cc1 ZINC000180396102 883055763 /nfs/dbraw/zinc/05/57/63/883055763.db2.gz PLZBTLGVBZKMGZ-OXQOHEQNSA-N 1 0 390.487 3.776 10 0 GHAERO COCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(Br)c(C)c1 ZINC000180774819 883098467 /nfs/dbraw/zinc/09/84/67/883098467.db2.gz YWJHZAQWDQBOAY-WFASDCNBSA-N 1 0 379.302 3.681 10 0 GHAERO CCC(CC)n1ncc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1C ZINC000121841329 877900279 /nfs/dbraw/zinc/90/02/79/877900279.db2.gz XSFFGIYOXJQMMU-HRAATJIYSA-N 1 0 383.540 3.588 10 0 GHAERO COc1ccc(OC)c([C@@H](C)[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000184523604 883352512 /nfs/dbraw/zinc/35/25/12/883352512.db2.gz YTLZZRQKYKXJDL-SZNDQCEHSA-N 1 0 386.467 3.987 10 0 GHAERO COc1ccc([C@H](C)[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c(OC)c1 ZINC000184537748 883354768 /nfs/dbraw/zinc/35/47/68/883354768.db2.gz LBGSMQSNPGSXEV-QKKBWIMNSA-N 1 0 386.467 3.987 10 0 GHAERO CSCc1ccccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000184775121 883394417 /nfs/dbraw/zinc/39/44/17/883394417.db2.gz RSZRJHFCLKQLQS-LPHOPBHVSA-N 1 0 384.549 3.977 10 0 GHAERO CC(C)[C@](C)(O)C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000184995477 883409238 /nfs/dbraw/zinc/40/92/38/883409238.db2.gz FVSZUEWNLUJDPP-GOSISDBHSA-N 1 0 383.330 3.507 10 0 GHAERO CCOc1ccccc1CCC(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186599238 883669119 /nfs/dbraw/zinc/66/91/19/883669119.db2.gz GTEDRNJOOZNXQV-NRFANRHFSA-N 1 0 381.520 3.584 10 0 GHAERO C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccccc1 ZINC000186692331 883687937 /nfs/dbraw/zinc/68/79/37/883687937.db2.gz IRDACJDGZWBVFJ-HNNXBMFYSA-N 1 0 395.507 3.915 10 0 GHAERO CC1CCN(C(=O)C2CC[NH+](CCC(=O)c3ccc(F)cc3F)CC2)CC1 ZINC000186686653 883688166 /nfs/dbraw/zinc/68/81/66/883688166.db2.gz AMZODXMLTUSMDT-UHFFFAOYSA-N 1 0 378.463 3.508 10 0 GHAERO O=C(NCCCCC[NH+]1CCCCC1)N1CC2(CCOCC2)c2ccccc21 ZINC000189147564 883908701 /nfs/dbraw/zinc/90/87/01/883908701.db2.gz LZKOMJOEANTWLK-UHFFFAOYSA-N 1 0 385.552 3.921 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000192425563 884261109 /nfs/dbraw/zinc/26/11/09/884261109.db2.gz KEEYVIZLLIVADE-CJNGLKHVSA-N 1 0 393.413 3.528 10 0 GHAERO O=C(CC[NH+]1CCC(n2cncn2)CC1)Nc1ccccc1Oc1ccccc1 ZINC000103471946 885994962 /nfs/dbraw/zinc/99/49/62/885994962.db2.gz UITXTRKLFQANRM-UHFFFAOYSA-N 1 0 391.475 3.736 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)COc1ccc2ccccc2c1 ZINC000116250339 886357390 /nfs/dbraw/zinc/35/73/90/886357390.db2.gz BRBVMLPYTZJIIA-MBSDFSHPSA-N 1 0 389.499 3.640 10 0 GHAERO O=C(Cc1nc(-c2ccc(F)cc2)cs1)N1CCCN(c2ccccn2)CC1 ZINC000125204430 886838799 /nfs/dbraw/zinc/83/87/99/886838799.db2.gz SZVMFHZXQCMWEY-UHFFFAOYSA-N 1 0 396.491 3.626 10 0 GHAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1cnn(Cc2ccccc2)c1 ZINC000126279645 886951197 /nfs/dbraw/zinc/95/11/97/886951197.db2.gz UVJPTPHNGXRUBF-SKPFHBQLSA-N 1 0 389.547 3.888 10 0 GHAERO CC(C)Sc1ccccc1NC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000126698748 886997092 /nfs/dbraw/zinc/99/70/92/886997092.db2.gz YDXNYWRAPQTFSJ-GOSISDBHSA-N 1 0 390.597 3.821 10 0 GHAERO COc1ccc(OCc2ccccn2)c(CN2CCC([NH+]3CCCC3)CC2)c1 ZINC000127706840 887094164 /nfs/dbraw/zinc/09/41/64/887094164.db2.gz XEWPJQCFPKGTTQ-UHFFFAOYSA-N 1 0 381.520 3.729 10 0 GHAERO C[C@@H](Sc1nc2ccccc2s1)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000130383453 887425245 /nfs/dbraw/zinc/42/52/45/887425245.db2.gz CMMNYFLTVSQAEX-CQSZACIVSA-N 1 0 375.563 3.864 10 0 GHAERO C[NH+](C)CCOc1ccccc1CNC(=O)N(Cc1ccco1)C1CCCC1 ZINC000105205359 887854530 /nfs/dbraw/zinc/85/45/30/887854530.db2.gz IWAKRXOXYSBVAT-UHFFFAOYSA-N 1 0 385.508 3.874 10 0 GHAERO CCC[NH+]1CCC(CNC(=O)N2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC000105215351 887889831 /nfs/dbraw/zinc/88/98/31/887889831.db2.gz ANIZQAARADMJHE-QFIPXVFZSA-N 1 0 380.536 3.725 10 0 GHAERO CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000052816740 887889978 /nfs/dbraw/zinc/88/99/78/887889978.db2.gz AFFWVWZYKQTKBA-FQEVSTJZSA-N 1 0 399.579 3.538 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)c3cncc(-c4ccc(Cl)cc4)c3)CC2)CCO1 ZINC000135437508 888240891 /nfs/dbraw/zinc/24/08/91/888240891.db2.gz RWUOAAICDGRWPG-INIZCTEOSA-N 1 0 399.922 3.727 10 0 GHAERO C[C@H](CCOc1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000245442538 888737973 /nfs/dbraw/zinc/73/79/73/888737973.db2.gz ICMBJGSUTYPOIY-DXIQSLLYSA-N 1 0 381.520 3.513 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(N2CCCCC2)cc1 ZINC000245408104 888747029 /nfs/dbraw/zinc/74/70/29/888747029.db2.gz FPUGWLVRCWSYEB-AUSIDOKSSA-N 1 0 392.547 3.712 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(F)c(Cl)cc1F ZINC000245708359 889359115 /nfs/dbraw/zinc/35/91/15/889359115.db2.gz SHTZUFPJURBSJI-KZULUSFZSA-N 1 0 379.838 3.654 10 0 GHAERO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1csc([C@H]2CCCO2)n1 ZINC000245796750 889745709 /nfs/dbraw/zinc/74/57/09/889745709.db2.gz ANSZRIXQPARQOG-UYAOXDASSA-N 1 0 399.560 3.979 10 0 GHAERO C[N@@H+]1CC[C@H](NC(=O)c2cc(N3CCCC3=O)ccc2Cl)[C@H]1c1ccccc1 ZINC000245809941 889767580 /nfs/dbraw/zinc/76/75/80/889767580.db2.gz CGSSNQQXUZKRED-PZJWPPBQSA-N 1 0 397.906 3.642 10 0 GHAERO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1OCc1cccnc1 ZINC000246114993 890402146 /nfs/dbraw/zinc/40/21/46/890402146.db2.gz NTRUEFJUFNAVOP-VLCRHTCISA-N 1 0 380.488 3.716 10 0 GHAERO CC(C)OC(=O)c1ccc(Cl)c(NC(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000066162440 890832704 /nfs/dbraw/zinc/83/27/04/890832704.db2.gz KBJALHJFYXYXQC-UHFFFAOYSA-N 1 0 393.915 3.997 10 0 GHAERO O=C(c1cccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1)N1CCCCC1 ZINC000246590977 891289861 /nfs/dbraw/zinc/28/98/61/891289861.db2.gz LZYLFFJDQMKCBB-NHCUHLMSSA-N 1 0 382.504 3.994 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc(Cl)cc1F ZINC000246835466 891313212 /nfs/dbraw/zinc/31/32/12/891313212.db2.gz CTMSMDUKGRDGJB-SUMWQHHRSA-N 1 0 376.863 3.906 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(Cl)cc2cccnc21 ZINC000247133733 891348523 /nfs/dbraw/zinc/34/85/23/891348523.db2.gz HHHTWJHSCJCNDQ-FOIQADDNSA-N 1 0 394.906 3.924 10 0 GHAERO CCCc1noc(CCCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000247224062 891356078 /nfs/dbraw/zinc/35/60/78/891356078.db2.gz RLRFFSGTFNJNAL-HKUYNNGSSA-N 1 0 384.524 3.514 10 0 GHAERO C[C@H](SCc1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247328315 891367332 /nfs/dbraw/zinc/36/73/32/891367332.db2.gz XZZSJDOSFPEOIJ-LQWHRVPQSA-N 1 0 383.561 3.730 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCSc1ccc(F)cc1 ZINC000247545335 891383746 /nfs/dbraw/zinc/38/37/46/891383746.db2.gz RMIMNGOHZRDANF-OXJNMPFZSA-N 1 0 387.524 3.730 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000247555882 891384877 /nfs/dbraw/zinc/38/48/77/891384877.db2.gz TYYUVRXYUCDNIH-VGOFRKELSA-N 1 0 396.510 3.805 10 0 GHAERO Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000247919795 891400241 /nfs/dbraw/zinc/40/02/41/891400241.db2.gz BNUGENYSVZTYKF-UZLBHIALSA-N 1 0 381.501 3.816 10 0 GHAERO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(C(=O)N4CCCCCC4)cc3)CC[C@H]21 ZINC000247959846 891402576 /nfs/dbraw/zinc/40/25/76/891402576.db2.gz GCIBMSORENJAJQ-PZJWPPBQSA-N 1 0 398.551 3.651 10 0 GHAERO C[N@@H+]1CC[C@H](NC(=O)CCCc2nc(-c3cccs3)no2)[C@H]1c1ccccc1 ZINC000248086561 891408950 /nfs/dbraw/zinc/40/89/50/891408950.db2.gz SXPDEAGRZHUKCJ-OXJNMPFZSA-N 1 0 396.516 3.682 10 0 GHAERO COc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)sc1Br ZINC000248085286 891409127 /nfs/dbraw/zinc/40/91/27/891409127.db2.gz SRMHDZQJEGELGP-NEPJUHHUSA-N 1 0 387.343 3.607 10 0 GHAERO C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1cnn(-c2ccc(F)cc2)c1 ZINC000333395326 902060342 /nfs/dbraw/zinc/06/03/42/902060342.db2.gz ASPAXQMBWCDPEY-JGDUNROCSA-N 1 0 398.526 3.945 10 0 GHAERO Cc1cc(Br)c(-c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)s1 ZINC000333760333 902315153 /nfs/dbraw/zinc/31/51/53/902315153.db2.gz COCJUKOQGSISLU-ABAIWWIYSA-N 1 0 384.299 3.795 10 0 GHAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000333780336 902327073 /nfs/dbraw/zinc/32/70/73/902327073.db2.gz DQEJQJAFCKERON-PKOBYXMFSA-N 1 0 385.487 3.595 10 0 GHAERO Cc1nc([C@@H]2CCCN2C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cs1 ZINC000186713231 907972113 /nfs/dbraw/zinc/97/21/13/907972113.db2.gz NQNIOJRYNTTXGR-SFHVURJKSA-N 1 0 376.501 3.699 10 0 GHAERO O=C(NC(=O)c1ccccc1)NC1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000000538150 209250908 /nfs/dbraw/zinc/25/09/08/209250908.db2.gz AQFFJGJVFJCQQL-UHFFFAOYSA-N 1 0 387.483 3.944 10 0 in-man GHAERO CCNC(=O)[C@@H]1C[C@@H]([NH2+]C2CCCCCC2)CN1Cc1cccc(Cl)c1 ZINC000299802600 212040388 /nfs/dbraw/zinc/04/03/88/212040388.db2.gz ZTJIZSKTVJOIPU-UXHICEINSA-N 1 0 377.960 3.731 10 0 GHAERO Cc1ccccc1-c1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3CCCO)C2)c1 ZINC000299763448 212032606 /nfs/dbraw/zinc/03/26/06/212032606.db2.gz WRTITQSASVITFN-VWNXMTODSA-N 1 0 392.543 3.857 10 0 GHAERO CC(C)n1ncc2cc(C[NH2+]C[C@@H]3CCc4nc(C(F)(F)F)cn4C3)cnc21 ZINC000328640220 209152531 /nfs/dbraw/zinc/15/25/31/209152531.db2.gz PWSLAJSMEKFRRE-ZDUSSCGKSA-N 1 0 392.429 3.580 10 0 GHAERO Cc1nc(C[NH+]2CCC3(C[C@H](CC(=O)N(C)C)c4ccccc43)CC2)cs1 ZINC000096079471 211300381 /nfs/dbraw/zinc/30/03/81/211300381.db2.gz KRHDZJCSTYDOPD-KRWDZBQOSA-N 1 0 383.561 3.951 10 0 GHAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]Cc2cnc(Cl)nc2Cl)C1 ZINC000095085337 211219111 /nfs/dbraw/zinc/21/91/11/211219111.db2.gz QVKMEDLJPYRLEF-NSHDSACASA-N 1 0 375.300 3.520 10 0 GHAERO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C)cc32)c1C ZINC000021992390 210402351 /nfs/dbraw/zinc/40/23/51/210402351.db2.gz KZCOZUFYJKLEHT-AQTBWJFISA-N 1 0 394.519 3.504 10 0 GHAERO Cc1cccc(C[NH+]2CCC(CNC(=O)NCc3noc4ccccc34)CC2)c1 ZINC000020516697 210342949 /nfs/dbraw/zinc/34/29/49/210342949.db2.gz NFZFFAIQPQHLHS-UHFFFAOYSA-N 1 0 392.503 3.848 10 0 GHAERO Cc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)nc(C)n1 ZINC000012297472 570294650 /nfs/dbraw/zinc/29/46/50/570294650.db2.gz ZQEDCIOKYDCMID-QHCPKHFHSA-N 1 0 384.568 3.992 10 0 GHAERO C[NH+]1CCN(CCCN2c3ccccc3[S@@](=O)c3ccc(Cl)cc32)CC1 ZINC000021981328 570300795 /nfs/dbraw/zinc/30/07/95/570300795.db2.gz AZGYHFQQUZPAFZ-SANMLTNESA-N 1 0 389.952 3.596 10 0 in-vitro GHAERO COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C2CC[NH2+]CC2)cc1 ZINC000004992074 570390730 /nfs/dbraw/zinc/39/07/30/570390730.db2.gz NLMJVFRVFXTGJF-UHFFFAOYSA-N 1 0 376.460 3.600 10 0 GHAERO CC(C)Cn1cc([C@@H]2[NH2+]CC23CCN(C(=O)OCc2ccccc2)CC3)cn1 ZINC000536959661 570471151 /nfs/dbraw/zinc/47/11/51/570471151.db2.gz LPFKKNFESADUOH-FQEVSTJZSA-N 1 0 382.508 3.602 10 0 GHAERO COc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)COC(C)C)cc1OC ZINC000036095994 570535583 /nfs/dbraw/zinc/53/55/83/570535583.db2.gz BNROWUHFXNCFDW-HXUWFJFHSA-N 1 0 391.483 3.631 10 0 GHAERO CC(=O)Nc1ccc2nc(CN(CC[NH+](C)C)Cc3ccsc3)ccc2c1 ZINC000055120455 570683906 /nfs/dbraw/zinc/68/39/06/570683906.db2.gz KNMTXXQHXZKYCV-UHFFFAOYSA-N 1 0 382.533 3.819 10 0 GHAERO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000332680034 836456691 /nfs/dbraw/zinc/45/66/91/836456691.db2.gz GSFAYGCFXNHSMR-NSHGMRRFSA-N 1 0 380.536 3.665 10 0 GHAERO CCc1csc([C@H]2CCCN(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)C2)n1 ZINC000113576726 838003500 /nfs/dbraw/zinc/00/35/00/838003500.db2.gz JBTDYTVYGCXWQQ-AWEZNQCLSA-N 1 0 378.586 3.904 10 0 GHAERO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cc(Cl)ccc3C)C2)n1 ZINC000247777933 844393375 /nfs/dbraw/zinc/39/33/75/844393375.db2.gz RCVDKGUDYBVZEA-WMLDXEAASA-N 1 0 389.931 3.596 10 0 GHAERO CC(C)c1cc(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)c2cnn(C(C)C)c2n1 ZINC000408184444 841980173 /nfs/dbraw/zinc/98/01/73/841980173.db2.gz YBORBHRJJNPUIK-DLBZAZTESA-N 1 0 383.540 3.834 10 0 GHAERO C[C@@H](C(=O)N1CCC(Cc2nccn2C)CC1)c1ccc(Br)s1 ZINC000162687575 842491537 /nfs/dbraw/zinc/49/15/37/842491537.db2.gz WSMJOSRASKDRLQ-GFCCVEGCSA-N 1 0 396.354 3.829 10 0 GHAERO Cc1c(C(=O)N2CCC(Cc3nccn3C)CC2)cnn1-c1ccccc1Cl ZINC000162660016 843294701 /nfs/dbraw/zinc/29/47/01/843294701.db2.gz PGOYFKCSIGLKTN-UHFFFAOYSA-N 1 0 397.910 3.663 10 0 GHAERO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)[C@H]3CCCc4c(O)cccc43)C1)CCCC2 ZINC000276841377 843509286 /nfs/dbraw/zinc/50/92/86/843509286.db2.gz HBDBQNWEPRGGMM-LPHOPBHVSA-N 1 0 379.504 3.669 10 0 GHAERO O=S(=O)(c1c(Cl)cccc1C(F)(F)F)N1CCC([NH+]2CCCC2)CC1 ZINC000151077507 845127419 /nfs/dbraw/zinc/12/74/19/845127419.db2.gz YBJWXFYLUZWTTO-UHFFFAOYSA-N 1 0 396.862 3.608 10 0 GHAERO CC(=O)N1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC12CCCCC2 ZINC000333620575 847172232 /nfs/dbraw/zinc/17/22/32/847172232.db2.gz GGHBDYYZDCTQTR-NRFANRHFSA-N 1 0 398.551 3.634 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCc1cn(C)c2ccccc12 ZINC000155229411 849482940 /nfs/dbraw/zinc/48/29/40/849482940.db2.gz UGLBBBFFDMPCFJ-GCJKJVERSA-N 1 0 390.531 3.533 10 0 GHAERO O=C(NC1CC[NH+](C2CCCC2)CC1)N[C@@H]1CCO[C@H](c2cccs2)C1 ZINC000333875433 851888876 /nfs/dbraw/zinc/88/88/76/851888876.db2.gz VJTXRNJNEDUPEW-AEFFLSMTSA-N 1 0 377.554 3.674 10 0 GHAERO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1N(C)C(=O)C[C@@H]1CCCCNC1=O ZINC000329820065 862344047 /nfs/dbraw/zinc/34/40/47/862344047.db2.gz GLBDPJWINNELHK-GGPKGHCWSA-N 1 0 385.552 3.748 10 0 GHAERO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)C1 ZINC000247004086 855450632 /nfs/dbraw/zinc/45/06/32/855450632.db2.gz LUHBEPSWGGEZAK-CKUXNOBLSA-N 1 0 399.579 3.755 10 0 GHAERO COc1ccccc1CC1CC[NH+](Cc2cc(=O)n3c(C)csc3n2)CC1 ZINC000102410619 860262859 /nfs/dbraw/zinc/26/28/59/860262859.db2.gz ZRMQJCMMMMMUNK-UHFFFAOYSA-N 1 0 383.517 3.528 10 0 GHAERO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2Br)cc1F ZINC000102698912 860820868 /nfs/dbraw/zinc/82/08/68/860820868.db2.gz MVNXIIMRJCMUFC-LLVKDONJSA-N 1 0 381.245 3.886 10 0 GHAERO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000329101020 861018875 /nfs/dbraw/zinc/01/88/75/861018875.db2.gz ZPIOFIXNBPLSGI-PVAVHDDUSA-N 1 0 397.441 3.705 10 0 GHAERO COc1ccc2c(CC(=O)NCc3ccc(OCCC[NH+](C)C)cc3)coc2c1 ZINC000103127213 863926472 /nfs/dbraw/zinc/92/64/72/863926472.db2.gz LZLGPSFLLFXQRI-UHFFFAOYSA-N 1 0 396.487 3.631 10 0 GHAERO CC(C)[C@@H](C)NC(=O)C1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000103472532 863999189 /nfs/dbraw/zinc/99/91/89/863999189.db2.gz OMVFYIATASZJCX-OAHLLOKOSA-N 1 0 379.932 3.541 10 0 GHAERO CCN(CCc1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000172193636 882176257 /nfs/dbraw/zinc/17/62/57/882176257.db2.gz CFCYZARPFAYZHV-UGKGYDQZSA-N 1 0 380.536 3.566 10 0 GHAERO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH+]2CCC(n3cncn3)CC2)c1 ZINC000092647716 882410167 /nfs/dbraw/zinc/41/01/67/882410167.db2.gz LIAWIOLOFPPOBG-UHFFFAOYSA-N 1 0 394.523 3.742 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(CCC(F)(F)F)CC1CC1 ZINC000176525472 882711276 /nfs/dbraw/zinc/71/12/76/882711276.db2.gz CGUUHHAUIDSNQK-YJBOKZPZSA-N 1 0 398.473 3.666 10 0 GHAERO CCn1cc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c2ccccc21 ZINC000116248510 873368137 /nfs/dbraw/zinc/36/81/37/873368137.db2.gz KTLXRVYGIZWOGI-AVRDEDQJSA-N 1 0 390.531 3.626 10 0 GHAERO Cc1cccnc1[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000116553289 873565950 /nfs/dbraw/zinc/56/59/50/873565950.db2.gz USUFQCBVLKDHQZ-CEWLAPEOSA-N 1 0 395.551 3.692 10 0 GHAERO CCCOc1nc2ccccc2cc1/C=C/C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000102821323 873656982 /nfs/dbraw/zinc/65/69/82/873656982.db2.gz PJFSCAGPHWPYMO-JXMROGBWSA-N 1 0 379.504 3.780 10 0 GHAERO CCC[N@H+](Cc1ccc(O)c(OC)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000180073143 883048949 /nfs/dbraw/zinc/04/89/49/883048949.db2.gz VENRYZMVDJRUHW-UHFFFAOYSA-N 1 0 382.504 3.918 10 0 GHAERO CC[C@@H](NC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1)c1ccc(Cl)cc1 ZINC000180387784 883054340 /nfs/dbraw/zinc/05/43/40/883054340.db2.gz DYCKOPKHTXGCAY-WOJBJXKFSA-N 1 0 392.975 3.603 10 0 GHAERO O=C1Nc2ccccc2[C@@H]1CC[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000180390564 883054430 /nfs/dbraw/zinc/05/44/30/883054430.db2.gz LGXZDDKORRCJFV-WBWVDOBWSA-N 1 0 375.472 3.535 10 0 GHAERO C[N@@H+]1CC[C@H](CNC(=O)C[C@H](O)c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180249169 883070328 /nfs/dbraw/zinc/07/03/28/883070328.db2.gz NRGKPKWEHGCFAR-PBEJRMEISA-N 1 0 390.886 3.712 10 0 GHAERO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000182536752 883225859 /nfs/dbraw/zinc/22/58/59/883225859.db2.gz FZNHGLJLSWSTLR-KSFYIVLOSA-N 1 0 395.503 3.668 10 0 GHAERO CCC[NH+](CCC)CCCC(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185690149 883573350 /nfs/dbraw/zinc/57/33/50/883573350.db2.gz LAAQDSYYRMFESA-OAQYLSRUSA-N 1 0 391.531 3.637 10 0 GHAERO O=S1(=O)CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)c2ccccc21 ZINC000186305417 883631095 /nfs/dbraw/zinc/63/10/95/883631095.db2.gz MTDRYOAEJMDVLI-ACJLOTCBSA-N 1 0 394.899 3.566 10 0 GHAERO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCC[C@@](C)(O)c2ccccc2)CC1 ZINC000188334889 883835868 /nfs/dbraw/zinc/83/58/68/883835868.db2.gz BTVPYRIPIQCOFG-XMMPIXPASA-N 1 0 395.547 3.590 10 0 GHAERO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188676315 883870298 /nfs/dbraw/zinc/87/02/98/883870298.db2.gz JVGYXOAAOTUEBS-UHFFFAOYSA-N 1 0 398.869 3.566 10 0 GHAERO C[C@@H](NC(=O)N1CC2(CCOCC2)c2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189867018 884018257 /nfs/dbraw/zinc/01/82/57/884018257.db2.gz MMIJPWUMFXAMGN-MOPGFXCFSA-N 1 0 397.563 3.917 10 0 GHAERO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC3(CCOCC3)c3ccccc32)C1 ZINC000191035899 884148742 /nfs/dbraw/zinc/14/87/42/884148742.db2.gz ZWGFBEQQPCGVHK-IBGZPJMESA-N 1 0 385.552 3.777 10 0 GHAERO O=C(CN1CCC([NH+]2CCCC2)CC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000104079479 885999238 /nfs/dbraw/zinc/99/92/38/885999238.db2.gz FRRQYXAONNVCPQ-UHFFFAOYSA-N 1 0 389.849 3.858 10 0 GHAERO C[C@H](c1ccc(Br)cc1)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000112340677 886259185 /nfs/dbraw/zinc/25/91/85/886259185.db2.gz AIAHYYDPGVSQHQ-CQSZACIVSA-N 1 0 378.314 3.579 10 0 GHAERO CCOc1cccc([C@H](C)NC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000116539340 886364805 /nfs/dbraw/zinc/36/48/05/886364805.db2.gz DUJJAOIQMROVSC-SPEDKVCISA-N 1 0 396.535 3.751 10 0 GHAERO CC(C)c1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000124165648 886712200 /nfs/dbraw/zinc/71/22/00/886712200.db2.gz YUPWMSRKGLUQAP-HNNXBMFYSA-N 1 0 390.963 3.894 10 0 GHAERO C[C@H](NC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccncc1 ZINC000134995845 887934080 /nfs/dbraw/zinc/93/40/80/887934080.db2.gz ZAILFJQHLPKXPK-URKNILKWSA-N 1 0 390.890 3.927 10 0 GHAERO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000055116610 888303122 /nfs/dbraw/zinc/30/31/22/888303122.db2.gz KUTFLKFBUBFSBT-DHIUTWEWSA-N 1 0 378.516 3.935 10 0 GHAERO CC(C)(C)c1csc(CCNC(=O)N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000105295348 888305311 /nfs/dbraw/zinc/30/53/11/888305311.db2.gz DJUSKOZTWLYHKE-UHFFFAOYSA-N 1 0 378.586 3.501 10 0 GHAERO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000245392097 888743713 /nfs/dbraw/zinc/74/37/13/888743713.db2.gz SJBBSYSFKAQKKC-TZMCWYRMSA-N 1 0 397.397 3.901 10 0 GHAERO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)C1 ZINC000246053551 890261084 /nfs/dbraw/zinc/26/10/84/890261084.db2.gz WLGUBQGEBUZYCZ-JXFKEZNVSA-N 1 0 393.959 3.527 10 0 GHAERO Cc1ccc(COc2ccc(C[NH2+]Cc3cccnc3-n3cncn3)cc2)cc1 ZINC000067670447 891159868 /nfs/dbraw/zinc/15/98/68/891159868.db2.gz AKLASRUIBKPQMU-UHFFFAOYSA-N 1 0 385.471 3.840 10 0 GHAERO COC(=O)[C@@H](c1cccnc1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000246785032 891307512 /nfs/dbraw/zinc/30/75/12/891307512.db2.gz MADRXKNYGJYUDB-UYAOXDASSA-N 1 0 376.460 3.565 10 0 GHAERO COC(=O)[C@H](c1cccnc1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000246784989 891307702 /nfs/dbraw/zinc/30/77/02/891307702.db2.gz MADRXKNYGJYUDB-QUCCMNQESA-N 1 0 376.460 3.565 10 0 GHAERO COc1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)ccc1OC(=O)C1CC1 ZINC000246850749 891315936 /nfs/dbraw/zinc/31/59/36/891315936.db2.gz SCSNJMIEFMSCTR-QZTJIDSGSA-N 1 0 385.460 3.692 10 0 GHAERO COc1cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)ccc1OC(=O)C1CC1 ZINC000246850772 891316310 /nfs/dbraw/zinc/31/63/10/891316310.db2.gz SCSNJMIEFMSCTR-ZWKOTPCHSA-N 1 0 385.460 3.692 10 0 GHAERO COc1cc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)cc(OC)c1OC ZINC000247147029 891350068 /nfs/dbraw/zinc/35/00/68/891350068.db2.gz SRLDSUPUIXHTNJ-FUHIMQAGSA-N 1 0 399.535 3.669 10 0 GHAERO COc1ccccc1[C@H](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247184350 891352818 /nfs/dbraw/zinc/35/28/18/891352818.db2.gz KPOOWBXMNBOEIG-DBXWQHBBSA-N 1 0 381.520 3.611 10 0 GHAERO Cc1cccc2c(CCC(=O)N[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)c[nH]c21 ZINC000247518911 891381252 /nfs/dbraw/zinc/38/12/52/891381252.db2.gz WHFBVTBNBWITEM-XMSQKQJNSA-N 1 0 390.531 3.831 10 0 GHAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(C(=O)N4CCCCCC4)cc3)CC[C@H]21 ZINC000247959849 891402065 /nfs/dbraw/zinc/40/20/65/891402065.db2.gz GCIBMSORENJAJQ-TZIWHRDSSA-N 1 0 398.551 3.651 10 0 GHAERO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000248372675 891420898 /nfs/dbraw/zinc/42/08/98/891420898.db2.gz BQTJPLCODVJYHI-XHSVMWQWSA-N 1 0 382.426 3.970 10 0 GHAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2csc(-c3ccc(F)c(F)c3)n2)C1 ZINC000248519145 891424036 /nfs/dbraw/zinc/42/40/36/891424036.db2.gz AWRXPQZXVNTHRS-SUMWQHHRSA-N 1 0 377.460 3.645 10 0 GHAERO O[C@@H]1c2ccccc2C[C@H]1[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000248553653 891427056 /nfs/dbraw/zinc/42/70/56/891427056.db2.gz JPJGTTWNXXTURH-VAMGGRTRSA-N 1 0 396.288 3.576 10 0 GHAERO C[N@@H+]1CC[C@@H](CNC(=O)CCc2ccc(O)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248870272 891476722 /nfs/dbraw/zinc/47/67/22/891476722.db2.gz JSJQLRAXICMGMH-HRAATJIYSA-N 1 0 390.886 3.927 10 0 GHAERO COc1ccccc1N1CC[C@@H](C[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000249170987 891500438 /nfs/dbraw/zinc/50/04/38/891500438.db2.gz BJYHVOFGCILTSV-HRAATJIYSA-N 1 0 380.467 3.763 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000249427776 891506260 /nfs/dbraw/zinc/50/62/60/891506260.db2.gz IZUNBLUDYLZHBK-FHLIZLRMSA-N 1 0 398.473 3.712 10 0 GHAERO C[N@@H+]1CCC[C@H]2CN(Cc3nc(=O)c4c(-c5ccccc5)csc4[nH]3)CC[C@H]21 ZINC000253553669 891880108 /nfs/dbraw/zinc/88/01/08/891880108.db2.gz GWEUAEZOZAHIRB-FUHWJXTLSA-N 1 0 394.544 3.980 10 0 GHAERO CCc1ccc(C(=O)Nc2sccc2C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000252443733 892368700 /nfs/dbraw/zinc/36/87/00/892368700.db2.gz NWJZEQNNVWNWSP-QAPCUYQASA-N 1 0 397.544 3.872 10 0 GHAERO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Nc2ccc(F)cc2C(F)(F)F)CC1 ZINC000333136701 899990056 /nfs/dbraw/zinc/99/00/56/899990056.db2.gz KIVXNRXFPSNZKN-ZBFHGGJFSA-N 1 0 389.393 3.595 10 0 GHAERO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1cnn(-c2ccc(F)cc2)c1 ZINC000333200811 900031152 /nfs/dbraw/zinc/03/11/52/900031152.db2.gz ZAXGGZYJOHHVGY-JRFJLEBRSA-N 1 0 398.526 3.945 10 0 GHAERO Cc1ccc(Br)c(NC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000333202094 900032863 /nfs/dbraw/zinc/03/28/63/900032863.db2.gz YBQKHUDUDDFMHE-DOTOQJQBSA-N 1 0 396.329 3.508 10 0 GHAERO c1cncc(-c2nc3sc4c(c3c(N3CC[C@@H]5[NH2+]CC[C@H]5C3)n2)CCCC4)c1 ZINC000333931358 902433863 /nfs/dbraw/zinc/43/38/63/902433863.db2.gz ZXUWZMXZUBDPCU-RDJZCZTQSA-N 1 0 391.544 3.820 10 0 GHAERO c1cncc(-c2nc3sc4c(c3c(N3CC[C@H]5[NH2+]CC[C@H]5C3)n2)CCCC4)c1 ZINC000333931356 902433927 /nfs/dbraw/zinc/43/39/27/902433927.db2.gz ZXUWZMXZUBDPCU-DOTOQJQBSA-N 1 0 391.544 3.820 10 0 GHAERO Cc1nc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(N3CCCC3=O)cc2)cs1 ZINC000189775110 908374769 /nfs/dbraw/zinc/37/47/69/908374769.db2.gz XHBLOYHXCFGKQQ-IBGZPJMESA-N 1 0 398.532 3.744 10 0 GHAERO COc1cccc([C@@H](CNC(=O)N2CCC[C@H]2c2csc(C)n2)[NH+](C)C)c1 ZINC000189971782 908394484 /nfs/dbraw/zinc/39/44/84/908394484.db2.gz CKDAOZJFMFQWDK-RBUKOAKNSA-N 1 0 388.537 3.610 10 0 GHAERO CC[NH+](CC)CCOC(=O)c1cccc(C)c1-n1c(C)nc2ccccc2c1=O ZINC000002036000 212143921 /nfs/dbraw/zinc/14/39/21/212143921.db2.gz XXTPEBWELRPMGA-UHFFFAOYSA-N 1 0 393.487 3.501 10 0 GHAERO CC(C)n1ncc2cc(C[NH2+]C[C@H]3CCc4nc(C(F)(F)F)cn4C3)cnc21 ZINC000328640219 212088452 /nfs/dbraw/zinc/08/84/52/212088452.db2.gz PWSLAJSMEKFRRE-CYBMUJFWSA-N 1 0 392.429 3.580 10 0 GHAERO Fc1ccc(-n2cccn2)c(C[N@@H+]2CCC[C@H](Nc3ccc4c(c3)OCO4)C2)c1 ZINC000012308756 221180251 /nfs/dbraw/zinc/18/02/51/221180251.db2.gz CZSOSBDNYYVIKA-IBGZPJMESA-N 1 0 394.450 3.817 10 0 GHAERO COc1cccc(CN2C[C@@H]3C[C@@H](c4cccc(C)c4)[N@@H+]4CCC[C@@]34C2=O)c1 ZINC000012430468 221191680 /nfs/dbraw/zinc/19/16/80/221191680.db2.gz QUYSLZZSMKTLJJ-SSPYTLHUSA-N 1 0 376.500 3.942 10 0 GHAERO COc1ccc([C@@H]2C[C@H]3CN(c4cccc(OC)c4)C(=O)[C@]34CCC[N@H+]24)cc1 ZINC000012459663 221198840 /nfs/dbraw/zinc/19/88/40/221198840.db2.gz APHPLXBGDCNRMZ-HYVJGQCMSA-N 1 0 378.472 3.646 10 0 GHAERO O=C1CC[C@@H]2C[N@H+](Cc3ccccc3F)CC[C@@H]2N1Cc1ccc2c(c1)OCO2 ZINC000015008391 221326605 /nfs/dbraw/zinc/32/66/05/221326605.db2.gz MLBHFDPZDKUCAA-QUCCMNQESA-N 1 0 396.462 3.568 10 0 GHAERO Cc1cc(C2CCN(C(=O)[C@]34CCC[C@@H]3C[N@H+](Cc3ccccc3)C4)CC2)[nH]n1 ZINC000328608961 836502607 /nfs/dbraw/zinc/50/26/07/836502607.db2.gz MHCPVEDGEUIJFS-QPPBQGQZSA-N 1 0 392.547 3.726 10 0 GHAERO CCCc1cc(=O)[nH]c(-c2ccc(CN(C)[C@@H](COC)c3ccccn3)cc2)n1 ZINC000023428776 837073024 /nfs/dbraw/zinc/07/30/24/837073024.db2.gz SBKIVOLPUNTTJC-NRFANRHFSA-N 1 0 392.503 3.604 10 0 GHAERO CC[C@@H](C)Oc1ccc(NC(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000249772896 837094842 /nfs/dbraw/zinc/09/48/42/837094842.db2.gz LUJNPFBGYZGECR-SJORKVTESA-N 1 0 375.513 3.581 10 0 GHAERO CCCN(CCC)C(=O)c1cccc(C(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000103206232 837275731 /nfs/dbraw/zinc/27/57/31/837275731.db2.gz WLVFVCFIDVTHLY-UHFFFAOYSA-N 1 0 385.552 3.649 10 0 GHAERO O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)N1CCC([NH+]2CCCC2)CC1 ZINC000106944520 838657569 /nfs/dbraw/zinc/65/75/69/838657569.db2.gz JBMNCOIMHSNYTH-UHFFFAOYSA-N 1 0 382.386 3.939 10 0 GHAERO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(OC2CCCCC2)c1 ZINC000119328469 840112674 /nfs/dbraw/zinc/11/26/74/840112674.db2.gz OXONZLZOSANAQL-GOSISDBHSA-N 1 0 386.536 3.629 10 0 GHAERO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000332742340 844528267 /nfs/dbraw/zinc/52/82/67/844528267.db2.gz HZYLDAWLUSAHRS-HFMPRLQTSA-N 1 0 399.579 3.624 10 0 GHAERO C[C@@H]1CC[C@@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2c2cnn(C)c2)[C@H](C)C1 ZINC000332795201 844555182 /nfs/dbraw/zinc/55/51/82/844555182.db2.gz LZPLUNYVDUHRDI-UDMCKFQASA-N 1 0 394.563 3.577 10 0 GHAERO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)CC1 ZINC000277464473 846263050 /nfs/dbraw/zinc/26/30/50/846263050.db2.gz QXPWZDDHJIONMT-CYFREDJKSA-N 1 0 391.515 3.872 10 0 GHAERO Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000152176917 846342517 /nfs/dbraw/zinc/34/25/17/846342517.db2.gz VZANZUNMGBTIIA-JXFKEZNVSA-N 1 0 376.504 3.820 10 0 GHAERO Cc1ccc(Br)c(-c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)c1 ZINC000329683628 862053319 /nfs/dbraw/zinc/05/33/19/862053319.db2.gz TVVWHDLCTQEGAI-PBHICJAKSA-N 1 0 378.270 3.733 10 0 GHAERO O=C(C1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1)N1CCc2ccccc21 ZINC000101545611 851668653 /nfs/dbraw/zinc/66/86/53/851668653.db2.gz KSIACFFSEUWPEP-UHFFFAOYSA-N 1 0 386.499 3.674 10 0 GHAERO COc1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@@H](C)CC[C@H]3O)o2)cc1 ZINC000329823494 862347968 /nfs/dbraw/zinc/34/79/68/862347968.db2.gz QJKOFYDJAGUZJD-KCUHQSDYSA-N 1 0 385.508 3.897 10 0 GHAERO Cc1cnn([C@H]2CCCN(C(=O)NC[C@H](c3ccc(C)cc3)[NH+]3CCCC3)C2)c1 ZINC000111845649 854754503 /nfs/dbraw/zinc/75/45/03/854754503.db2.gz ZYCQMUAZTNHQJH-FCHUYYIVSA-N 1 0 395.551 3.684 10 0 GHAERO Cc1nc2cc(NC(=O)NC[C@@H]3CC[N@H+](CCc4ccccc4)C3)ccc2o1 ZINC000103319153 856122724 /nfs/dbraw/zinc/12/27/24/856122724.db2.gz GKOHTDQVIRAIBH-SFHVURJKSA-N 1 0 378.476 3.822 10 0 GHAERO Cc1cc([C@H]2CCCN2C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)on1 ZINC000067569881 856556732 /nfs/dbraw/zinc/55/67/32/856556732.db2.gz IFTHPKOTLSMZDZ-WOJBJXKFSA-N 1 0 382.508 3.884 10 0 GHAERO Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000131085456 857652855 /nfs/dbraw/zinc/65/28/55/857652855.db2.gz RJJRKIBLJGKXNI-LJQANCHMSA-N 1 0 394.581 3.520 10 0 GHAERO COc1ccc([C@@H]([NH2+]Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)C(C)C)cc1 ZINC000102693293 860818398 /nfs/dbraw/zinc/81/83/98/860818398.db2.gz NRMYKNGGMYFSPF-IBGZPJMESA-N 1 0 383.517 3.969 10 0 GHAERO COc1ccc([C@H](C)[NH2+]CC(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1F ZINC000102699650 860822247 /nfs/dbraw/zinc/82/22/47/860822247.db2.gz SNHCHUWNJBSJFQ-ZDUSSCGKSA-N 1 0 396.409 3.745 10 0 GHAERO COc1cc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)ccc1OCc1c(C)noc1C ZINC000128539708 860911793 /nfs/dbraw/zinc/91/17/93/860911793.db2.gz UJHWDCGINJGUIG-GOSISDBHSA-N 1 0 396.491 3.602 10 0 GHAERO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2)c1ccccc1 ZINC000102958191 860920433 /nfs/dbraw/zinc/92/04/33/860920433.db2.gz QNWAXTNMVUACML-OALUTQOASA-N 1 0 381.476 3.565 10 0 GHAERO C[C@@H](c1ccccc1)N1C[C@H](C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1=O ZINC000177239383 863317368 /nfs/dbraw/zinc/31/73/68/863317368.db2.gz KCOUVIMVLBMZQU-AZUAARDMSA-N 1 0 397.563 3.509 10 0 GHAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000103285803 863939827 /nfs/dbraw/zinc/93/98/27/863939827.db2.gz ZWIDGHALHOPFSR-WBVHZDCISA-N 1 0 396.922 3.824 10 0 GHAERO CSc1ccccc1NC(=O)CC[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000103472567 863999379 /nfs/dbraw/zinc/99/93/79/863999379.db2.gz QPOUBCAJPLTWLQ-INIZCTEOSA-N 1 0 391.581 3.610 10 0 GHAERO C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000173453068 865644894 /nfs/dbraw/zinc/64/48/94/865644894.db2.gz SGDOXUPIQBHRGW-WIYYLYMNSA-N 1 0 381.524 3.593 10 0 GHAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c21 ZINC000113224278 866752496 /nfs/dbraw/zinc/75/24/96/866752496.db2.gz JIBUGYYYJSTVJW-GDBMZVCRSA-N 1 0 396.535 3.998 10 0 GHAERO COC(=O)c1oc([C@@H](C)[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cc1C ZINC000091531080 882113267 /nfs/dbraw/zinc/11/32/67/882113267.db2.gz PERNNYIHAYJYTN-MRXNPFEDSA-N 1 0 376.497 3.550 10 0 GHAERO COc1ccc(C[NH+]2CCC(n3cncn3)CC2)cc1OCc1ccccc1 ZINC000092647527 882410380 /nfs/dbraw/zinc/41/03/80/882410380.db2.gz AIOHRIRGAXABJB-UHFFFAOYSA-N 1 0 378.476 3.703 10 0 GHAERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CCC[C@H](c2nccs2)C1 ZINC000114820353 870701698 /nfs/dbraw/zinc/70/16/98/870701698.db2.gz BOXAGGDGCJCNDG-IBGZPJMESA-N 1 0 384.549 3.828 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000116251278 873370371 /nfs/dbraw/zinc/37/03/71/873370371.db2.gz GAFGGGULUMUSKF-FEGHXTNJSA-N 1 0 383.923 3.865 10 0 GHAERO C[C@@H]1C[C@H]([NH2+]Cc2cccnc2-n2cncn2)c2cccc(Br)c21 ZINC000178055064 882860202 /nfs/dbraw/zinc/86/02/02/882860202.db2.gz HPKQHVJABQBABW-WBMJQRKESA-N 1 0 384.281 3.763 10 0 GHAERO C[C@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1ccc(OCc2nccn2C)cc1 ZINC000180396073 883055208 /nfs/dbraw/zinc/05/52/08/883055208.db2.gz PLZBTLGVBZKMGZ-OXJNMPFZSA-N 1 0 390.487 3.776 10 0 GHAERO Cc1c2ccccc2oc1[C@@H](C)NC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000180415927 883056634 /nfs/dbraw/zinc/05/66/34/883056634.db2.gz OWKLXYDRMLCHHO-MOPGFXCFSA-N 1 0 398.551 3.614 10 0 GHAERO CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(OC)cc1 ZINC000180858771 883103803 /nfs/dbraw/zinc/10/38/03/883103803.db2.gz JKTILJNYJOKNES-HSQYWUDLSA-N 1 0 381.520 3.611 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cnc3cc(C)nn3c2C)c2ccc(F)cc2C1 ZINC000184529553 883352172 /nfs/dbraw/zinc/35/21/72/883352172.db2.gz MUYPOTIUDOADRR-SZNDQCEHSA-N 1 0 395.482 3.629 10 0 GHAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1OC ZINC000184538027 883354245 /nfs/dbraw/zinc/35/42/45/883354245.db2.gz CYLLXDPVYDZQRJ-VBKZILBWSA-N 1 0 386.467 3.987 10 0 GHAERO Cn1c2ccccc2nc1C(C)(C)NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000185508936 883547146 /nfs/dbraw/zinc/54/71/46/883547146.db2.gz JBYYMMRBCVSWCQ-UHFFFAOYSA-N 1 0 383.540 3.515 10 0 GHAERO O=C(CCN1CCCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1F ZINC000186575424 883664472 /nfs/dbraw/zinc/66/44/72/883664472.db2.gz STHAJHWCEBFIFF-UHFFFAOYSA-N 1 0 390.405 3.525 10 0 GHAERO O=C1CCc2cc(NC3CC[NH+](Cc4cccnc4)CC3)ccc2N1CC1CC1 ZINC000186674464 883686222 /nfs/dbraw/zinc/68/62/22/883686222.db2.gz RJQUGXDORWJMCL-UHFFFAOYSA-N 1 0 390.531 3.847 10 0 GHAERO CC(C)Oc1ccc(CC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000187112986 883747295 /nfs/dbraw/zinc/74/72/95/883747295.db2.gz LHWDALOJDWKHSM-GOSISDBHSA-N 1 0 381.520 3.753 10 0 GHAERO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N(C)C(C)C)nc2)c2ccc(F)cc2C1 ZINC000191608643 884191061 /nfs/dbraw/zinc/19/10/61/884191061.db2.gz SHMDHMCTEUEPNW-OAQYLSRUSA-N 1 0 384.499 3.648 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)COc1ccc2ccccc2c1 ZINC000116250337 886358359 /nfs/dbraw/zinc/35/83/59/886358359.db2.gz BRBVMLPYTZJIIA-JPYJTQIMSA-N 1 0 389.499 3.640 10 0 GHAERO Cc1coc(-c2ccc(C)c(NC(=O)N3CCC([N@H+]4CCO[C@H](C)C4)CC3)c2)n1 ZINC000120998127 886536222 /nfs/dbraw/zinc/53/62/22/886536222.db2.gz OLJJYECWXKHXQD-QGZVFWFLSA-N 1 0 398.507 3.675 10 0 GHAERO CCOc1cc(/C=C/C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)ccc1OC ZINC000124090662 886704963 /nfs/dbraw/zinc/70/49/63/886704963.db2.gz UCNHRNYMQFCXCD-CSKARUKUSA-N 1 0 398.503 3.823 10 0 GHAERO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000124129471 886708316 /nfs/dbraw/zinc/70/83/16/886708316.db2.gz RHIOENMPMPKEDK-RTBURBONSA-N 1 0 387.568 3.631 10 0 GHAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)Nc3cccc(SC(F)F)c3)C2)CC1 ZINC000126243696 886948555 /nfs/dbraw/zinc/94/85/55/886948555.db2.gz KAUSXPGFUIHGGZ-INIZCTEOSA-N 1 0 398.523 3.635 10 0 GHAERO COc1ccc(Br)cc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000052494920 887843658 /nfs/dbraw/zinc/84/36/58/887843658.db2.gz ZGNWAVBFZSOCBQ-UHFFFAOYSA-N 1 0 382.302 3.550 10 0 GHAERO Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000137374641 888349185 /nfs/dbraw/zinc/34/91/85/888349185.db2.gz JYRLDXZUJDTPJU-UHFFFAOYSA-N 1 0 399.560 3.932 10 0 GHAERO COc1cc(NC(=O)CN2CCC[C@H](c3nccs3)C2)c(OC)cc1Cl ZINC000195345326 888681381 /nfs/dbraw/zinc/68/13/81/888681381.db2.gz FQUNENVZQNAYBE-LBPRGKRZSA-N 1 0 395.912 3.632 10 0 GHAERO C[C@@H](CC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1)Cc1ccc(Cl)cc1 ZINC000245545464 888890308 /nfs/dbraw/zinc/89/03/08/888890308.db2.gz VKMHROXGEPCEHV-SJORKVTESA-N 1 0 378.944 3.620 10 0 GHAERO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000245904230 889984854 /nfs/dbraw/zinc/98/48/54/889984854.db2.gz FCJYRRWYCKSWQZ-ZQMYSKGWSA-N 1 0 393.510 3.544 10 0 GHAERO COC[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000245976879 890118215 /nfs/dbraw/zinc/11/82/15/890118215.db2.gz GKBMJTAZCDYQDP-LPTQZCDUSA-N 1 0 375.463 3.548 10 0 GHAERO COc1ccc(CCCCCC(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000067154353 891143920 /nfs/dbraw/zinc/14/39/20/891143920.db2.gz WYVHEAUWFCGFPI-IBGZPJMESA-N 1 0 388.552 3.510 10 0 GHAERO O=C(NCCCC[NH+]1CCCC1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000067460240 891152258 /nfs/dbraw/zinc/15/22/58/891152258.db2.gz HFWDOIMKOCFFLQ-HXUWFJFHSA-N 1 0 393.959 3.671 10 0 GHAERO CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246542209 891284067 /nfs/dbraw/zinc/28/40/67/891284067.db2.gz JWIUAYVGLQORSE-ATZDWAIDSA-N 1 0 388.487 3.518 10 0 GHAERO Cc1cc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)nc(-c2ccc(Cl)cc2)n1 ZINC000246704141 891300100 /nfs/dbraw/zinc/30/01/00/891300100.db2.gz NCGKWLFLNIBAGN-QZTJIDSGSA-N 1 0 375.925 3.812 10 0 GHAERO COc1ccc(Cl)cc1NC(=O)CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246818835 891309869 /nfs/dbraw/zinc/30/98/69/891309869.db2.gz NPXHWSQSZZBHAR-HNAYVOBHSA-N 1 0 391.943 3.626 10 0 GHAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)[C@@H]3C[C@H]3c3ccc4ccccc4c3)C2)CC1 ZINC000246981199 891329141 /nfs/dbraw/zinc/32/91/41/891329141.db2.gz QKDTXRYAZPPNBV-TZRRMPRUSA-N 1 0 391.559 3.572 10 0 GHAERO Cc1[nH]c2c(cccc2C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1C ZINC000247074660 891341798 /nfs/dbraw/zinc/34/17/98/891341798.db2.gz CPIUIIVIIKGTAE-QVKFZJNVSA-N 1 0 376.504 3.820 10 0 GHAERO CCCOc1c(C[N@@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cccc1OCC ZINC000247280138 891362151 /nfs/dbraw/zinc/36/21/51/891362151.db2.gz YNTILLGKCHRPDD-YLJYHZDGSA-N 1 0 387.524 3.553 10 0 GHAERO CSc1cnn(-c2ccccc2)c1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247543097 891383337 /nfs/dbraw/zinc/38/33/37/891383337.db2.gz QEMQYJZXQXSSEU-NVXWUHKLSA-N 1 0 385.537 3.542 10 0 GHAERO C[N@@H+]1CC[C@@H](NC(=O)CCCc2nnc(-c3ccccc3)o2)[C@H]1c1ccccc1 ZINC000248123545 891411156 /nfs/dbraw/zinc/41/11/56/891411156.db2.gz UVEPJNSMTWKLPC-DENIHFKCSA-N 1 0 390.487 3.621 10 0 GHAERO FC(F)(F)Cn1ccnc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248146010 891412852 /nfs/dbraw/zinc/41/28/52/891412852.db2.gz QEBRYKACWXAFFY-RTBURBONSA-N 1 0 392.469 3.932 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+][C@H]2C[C@H](C)N(Cc3ccccc3)C2)c2ccc(F)cc2C1 ZINC000248653215 891451407 /nfs/dbraw/zinc/45/14/07/891451407.db2.gz UOKQXFOCSZQNBK-OWSXEPHWSA-N 1 0 395.522 3.872 10 0 GHAERO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCC[C@H]1CCCCO1 ZINC000248761698 891466518 /nfs/dbraw/zinc/46/65/18/891466518.db2.gz YGSNBINTCWUBQG-FGZHOGPDSA-N 1 0 387.568 3.889 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N1CCC(c2ccsc2)CC1 ZINC000249112248 891497332 /nfs/dbraw/zinc/49/73/32/891497332.db2.gz CFGVNNPHOWXXHD-DYESRHJHSA-N 1 0 398.576 3.943 10 0 GHAERO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2cc(F)cc(Br)c2)C1 ZINC000105171028 891977310 /nfs/dbraw/zinc/97/73/10/891977310.db2.gz BCNBDVVXTLEJPK-ZDUSSCGKSA-N 1 0 386.309 3.508 10 0 GHAERO [NH3+][C@H]1CCc2ncc(NC(=O)N[C@H]3CC4(CCCC4)Oc4ccccc43)cc2C1 ZINC000333388669 902056787 /nfs/dbraw/zinc/05/67/87/902056787.db2.gz XCLVTNJVKNRPDF-JXFKEZNVSA-N 1 0 392.503 3.856 10 0 GHAERO [NH3+][C@H]1CCc2ncc(NC(=O)N[C@@H]3CC4(CCCC4)Oc4ccccc43)cc2C1 ZINC000333388670 902056897 /nfs/dbraw/zinc/05/68/97/902056897.db2.gz XCLVTNJVKNRPDF-OXJNMPFZSA-N 1 0 392.503 3.856 10 0 GHAERO CC(C)Oc1cc(Br)cc(NC(=O)N2CCC3(CC[NH2+]3)CC2)c1 ZINC000333763638 902316929 /nfs/dbraw/zinc/31/69/29/902316929.db2.gz AUQVVIFUCCXSCX-UHFFFAOYSA-N 1 0 382.302 3.596 10 0 GHAERO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cn(C)c2ccccc12 ZINC000185436692 1014579120 /nfs/dbraw/zinc/57/91/20/1014579120.db2.gz KWXMLZITHQCSMS-SPEDKVCISA-N 1 0 390.531 3.704 10 0 GHAERO O=c1[nH]c2ccccc2n1C1CC[NH+](CCCc2noc3cc(F)ccc23)CC1 ZINC000000538067 212142502 /nfs/dbraw/zinc/14/25/02/212142502.db2.gz VEUGOXRZHKYDED-UHFFFAOYSA-N 1 0 394.450 3.880 10 0 in-man GHAERO OC[C@@H]1CCCN(c2nc3cc(F)ccc3cc2C[NH2+]CCc2ccccc2)C1 ZINC000011782981 221124850 /nfs/dbraw/zinc/12/48/50/221124850.db2.gz MUPVQIININURMX-LJQANCHMSA-N 1 0 393.506 3.915 10 0 GHAERO COc1ccc2c(c1)C=C(C[NH2+][C@H]1CCCc3c1cnn3-c1ccccn1)CO2 ZINC000012318527 221181272 /nfs/dbraw/zinc/18/12/72/221181272.db2.gz RHMVUDLTWBRFFV-FQEVSTJZSA-N 1 0 388.471 3.719 10 0 GHAERO CCOc1c(C[NH2+]C[C@H](O)c2ccccc2)cc(Br)cc1OC ZINC000020476819 570260952 /nfs/dbraw/zinc/26/09/52/570260952.db2.gz WYBFVPSOMQGANZ-INIZCTEOSA-N 1 0 380.282 3.680 10 0 GHAERO CCOc1cc(C[NH2+]CCCN2CCOCC2)ccc1OCc1ccc(C)cc1 ZINC000020874292 570283036 /nfs/dbraw/zinc/28/30/36/570283036.db2.gz OQLPLYSMJLAXDS-UHFFFAOYSA-N 1 0 398.547 3.785 10 0 GHAERO CCCC(=O)N1CCC([NH+]2CCC(C(=O)Nc3ccc(C)c(C)c3)CC2)CC1 ZINC000034912092 570338699 /nfs/dbraw/zinc/33/86/99/570338699.db2.gz QJICQZPFHILMCN-UHFFFAOYSA-N 1 0 385.552 3.745 10 0 GHAERO C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1nccs1 ZINC000105991832 837673611 /nfs/dbraw/zinc/67/36/11/837673611.db2.gz IHOFEFDWDDEYIN-CXAGYDPISA-N 1 0 383.439 3.775 10 0 GHAERO O=C(Nc1ccc2c(c1)CCC(=O)N2)[C@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000329405128 834985652 /nfs/dbraw/zinc/98/56/52/834985652.db2.gz AOPMIZKHDARIFH-DVECYGJZSA-N 1 0 389.499 3.812 10 0 GHAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000329626318 835462405 /nfs/dbraw/zinc/46/24/05/835462405.db2.gz GQSZYOBQJGAVEO-MAUKXSAKSA-N 1 0 383.517 3.699 10 0 GHAERO CN1CC[C@H](NC(=O)N[C@H]2CCOc3ccccc32)[C@H]1c1ccc(F)c(F)c1 ZINC000245728390 844081758 /nfs/dbraw/zinc/08/17/58/844081758.db2.gz XXSATFQIOJBFPG-CMKODMSKSA-N 1 0 387.430 3.533 10 0 GHAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000247874629 844097091 /nfs/dbraw/zinc/09/70/91/844097091.db2.gz YGODEKVHMBNXTO-SFTDATJTSA-N 1 0 380.536 3.758 10 0 GHAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000246985282 835989170 /nfs/dbraw/zinc/98/91/70/835989170.db2.gz YGSZWGAJSSXCHY-CWBXHPNXSA-N 1 0 384.564 3.798 10 0 GHAERO COCCc1ncc(CN2CC[C@]3(C2)CCC[N@H+](CC2CCCCC2)C3)cn1 ZINC000023399120 836951601 /nfs/dbraw/zinc/95/16/01/836951601.db2.gz CJKAYQZQHMWVLW-HSZRJFAPSA-N 1 0 386.584 3.534 10 0 GHAERO CC1CCN(C(=O)c2ccc(NC(=O)N3CCC([C@@H]4CCC[NH2+]4)CC3)cc2)CC1 ZINC000333231510 844354174 /nfs/dbraw/zinc/35/41/74/844354174.db2.gz YLHRSPQMDLTMGQ-NRFANRHFSA-N 1 0 398.551 3.555 10 0 GHAERO Cc1cc(-c2cc(=O)[nH]c(-c3cccc(C[NH+]4CCSCC4)c3)n2)c(C)o1 ZINC000020541931 839954458 /nfs/dbraw/zinc/95/44/58/839954458.db2.gz GHBYEDWSGKVOEQ-UHFFFAOYSA-N 1 0 381.501 3.863 10 0 GHAERO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)[C@@H]3CCCc4c(O)cccc43)C1)CCCC2 ZINC000276841396 843509732 /nfs/dbraw/zinc/50/97/32/843509732.db2.gz HBDBQNWEPRGGMM-VQIMIIECSA-N 1 0 379.504 3.669 10 0 GHAERO CSc1ccc(O[C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000152020889 846146235 /nfs/dbraw/zinc/14/62/35/846146235.db2.gz VLNVSQCKJKPMHF-LZJOCLMNSA-N 1 0 399.560 3.598 10 0 GHAERO CC(C)c1nc([C@H]2CCCN2C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)no1 ZINC000328951997 854614415 /nfs/dbraw/zinc/61/44/15/854614415.db2.gz HWMXEWROVHFPBY-BHIYHBOVSA-N 1 0 382.508 3.625 10 0 GHAERO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@@H]2C[C@H](C)Sc3sccc32)CC(=O)N1C ZINC000330185781 862645259 /nfs/dbraw/zinc/64/52/59/862645259.db2.gz JHCSERMRRXNKDO-QMJNRFBBSA-N 1 0 390.578 3.585 10 0 GHAERO CCC(C)(C)NC(=O)C[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000102402096 860257846 /nfs/dbraw/zinc/25/78/46/860257846.db2.gz VMRMJLBJXBAUQX-HNNXBMFYSA-N 1 0 390.915 3.874 10 0 GHAERO COC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000102699014 860820676 /nfs/dbraw/zinc/82/06/76/860820676.db2.gz SWPXZVZPUJKWPS-LLVKDONJSA-N 1 0 394.468 3.589 10 0 GHAERO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2)c1ccccc1 ZINC000102958186 860920561 /nfs/dbraw/zinc/92/05/61/860920561.db2.gz QNWAXTNMVUACML-RTBURBONSA-N 1 0 381.476 3.565 10 0 GHAERO Cn1nccc1[C@H]1[C@H](CNc2ncnc3sc4c(c32)CCCC4)CCC[N@@H+]1C ZINC000329180493 861112441 /nfs/dbraw/zinc/11/24/41/861112441.db2.gz DLZNRMAOXBDNME-IFXJQAMLSA-N 1 0 396.564 3.799 10 0 GHAERO COc1ccc([C@@H](C)NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1F ZINC000103185338 863906829 /nfs/dbraw/zinc/90/68/29/863906829.db2.gz MPGBXNGEPSRMTK-IEBWSBKVSA-N 1 0 399.510 3.759 10 0 GHAERO COc1ccccc1CCN(C)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000103859983 864099604 /nfs/dbraw/zinc/09/96/04/864099604.db2.gz SVIWIMZQPZEMJV-KDURUIRLSA-N 1 0 375.557 3.637 10 0 GHAERO C[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ccc(F)cc1Br ZINC000155893853 864347034 /nfs/dbraw/zinc/34/70/34/864347034.db2.gz QPAXQWHXYKNIPO-GFCCVEGCSA-N 1 0 379.277 3.698 10 0 GHAERO C[C@@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1cccc(-n2ccnc2)c1 ZINC000173453846 865646499 /nfs/dbraw/zinc/64/64/99/865646499.db2.gz HALZRJWEILHKLC-NQIIRXRSSA-N 1 0 381.524 3.593 10 0 GHAERO O=C(Nc1ccccc1)c1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000105024674 866236737 /nfs/dbraw/zinc/23/67/37/866236737.db2.gz SZSXZIDTDXDKJA-FQEVSTJZSA-N 1 0 378.476 3.641 10 0 GHAERO Cc1cnn([C@@H]2CCCN(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+]3CCCC3)C2)c1 ZINC000111845655 866709480 /nfs/dbraw/zinc/70/94/80/866709480.db2.gz ZYCQMUAZTNHQJH-YADHBBJMSA-N 1 0 395.551 3.684 10 0 GHAERO Cc1c(C(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)sc2cccc(F)c12 ZINC000173280818 882346023 /nfs/dbraw/zinc/34/60/23/882346023.db2.gz ZYILRSOWPQFIJY-INIZCTEOSA-N 1 0 389.540 3.591 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1SCCc2sccc21 ZINC000173517202 882374830 /nfs/dbraw/zinc/37/48/30/882374830.db2.gz PDHBJWJZKVUSPD-LJHODMEESA-N 1 0 387.574 3.500 10 0 GHAERO C[C@H](CC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1)Cc1ccc(Cl)cc1 ZINC000092882766 882444261 /nfs/dbraw/zinc/44/42/61/882444261.db2.gz VKMHROXGEPCEHV-IRXDYDNUSA-N 1 0 378.944 3.620 10 0 GHAERO COc1ccc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)cc1OCc1cccnc1 ZINC000093691510 882598600 /nfs/dbraw/zinc/59/86/00/882598600.db2.gz PRTIGCAXYFRHDQ-NRFANRHFSA-N 1 0 391.471 3.718 10 0 GHAERO CCc1cccc2c(CC(=O)N[C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)c[nH]c21 ZINC000116242726 873366177 /nfs/dbraw/zinc/36/61/77/873366177.db2.gz JGMPHRVBCXQLLD-HTAPYJJXSA-N 1 0 390.531 3.695 10 0 GHAERO COc1ccc(SCCC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000116245123 873366252 /nfs/dbraw/zinc/36/62/52/873366252.db2.gz IMSYVRWXJZKMKK-UTKZUKDTSA-N 1 0 399.560 3.599 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000116246702 873367853 /nfs/dbraw/zinc/36/78/53/873367853.db2.gz PWOORFOUMOKISS-LIRRHRJNSA-N 1 0 392.330 3.958 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccccc1OC(F)F ZINC000116477383 873512915 /nfs/dbraw/zinc/51/29/15/873512915.db2.gz LUVKURUITHQFFM-HOCLYGCPSA-N 1 0 390.434 3.715 10 0 GHAERO CCOc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1OC ZINC000116478972 873513105 /nfs/dbraw/zinc/51/31/05/873513105.db2.gz NYIXLWBIMPVLGO-LPHOPBHVSA-N 1 0 398.507 3.521 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cccc(OC(F)F)c1 ZINC000116484682 873514911 /nfs/dbraw/zinc/51/49/11/873514911.db2.gz OPYBTUDEHJSNEN-KSSFIOAISA-N 1 0 390.434 3.715 10 0 GHAERO CCOc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(C)c1 ZINC000116488805 873515869 /nfs/dbraw/zinc/51/58/69/873515869.db2.gz NXOCGEPHAPESDW-UWJYYQICSA-N 1 0 382.508 3.821 10 0 GHAERO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000180863722 883105130 /nfs/dbraw/zinc/10/51/30/883105130.db2.gz QHEWGASSQVFRHI-OXJNMPFZSA-N 1 0 398.503 3.727 10 0 GHAERO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)c2ccc(F)cc2C1 ZINC000184529534 883352745 /nfs/dbraw/zinc/35/27/45/883352745.db2.gz MUYPOTIUDOADRR-LHSJRXKWSA-N 1 0 395.482 3.629 10 0 GHAERO COc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1OC ZINC000184538088 883353677 /nfs/dbraw/zinc/35/36/77/883353677.db2.gz CYLLXDPVYDZQRJ-VLIAUNLRSA-N 1 0 386.467 3.987 10 0 GHAERO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000184534494 883354607 /nfs/dbraw/zinc/35/46/07/883354607.db2.gz AMPYXQSGJGUVEH-PEBXRYMYSA-N 1 0 383.467 3.928 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)c2ccc(F)cc2C1 ZINC000185352696 883439401 /nfs/dbraw/zinc/43/94/01/883439401.db2.gz KLHNEURYZZZZHA-QHCPKHFHSA-N 1 0 392.478 3.654 10 0 GHAERO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccccc2)c2ccc(F)cc2C1 ZINC000185365095 883442679 /nfs/dbraw/zinc/44/26/79/883442679.db2.gz TYLBZTLCQTZVAO-YCRPNKLZSA-N 1 0 383.467 3.626 10 0 GHAERO Cc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3nc(-c4ccoc4)no3)C2)cc1 ZINC000105609099 884821154 /nfs/dbraw/zinc/82/11/54/884821154.db2.gz JBFQNBZMWHWJEO-INIZCTEOSA-N 1 0 395.463 3.672 10 0 GHAERO O=c1[nH]c(CC[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)nc2ccccc21 ZINC000114481702 886313669 /nfs/dbraw/zinc/31/36/69/886313669.db2.gz IVMMKUPOMLLBEM-SFHVURJKSA-N 1 0 399.498 3.735 10 0 GHAERO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCC[C@H](c2nccs2)C1 ZINC000114822107 886328927 /nfs/dbraw/zinc/32/89/27/886328927.db2.gz RCSFQMWZHWROKO-IBGZPJMESA-N 1 0 384.549 3.828 10 0 GHAERO Cc1cccc(CSCC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000116251432 886357171 /nfs/dbraw/zinc/35/71/71/886357171.db2.gz LENADAWMGFEWLA-RXVVDRJESA-N 1 0 383.561 3.650 10 0 GHAERO CC[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(OC)cc1 ZINC000116522791 886363745 /nfs/dbraw/zinc/36/37/45/886363745.db2.gz WQAMGSPDQJNMPO-HSQYWUDLSA-N 1 0 396.535 3.751 10 0 GHAERO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000042628307 886796775 /nfs/dbraw/zinc/79/67/75/886796775.db2.gz ZHAHFEXWEFLCLJ-WOJBJXKFSA-N 1 0 399.579 3.675 10 0 GHAERO COCCOc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1 ZINC000126162582 886938201 /nfs/dbraw/zinc/93/82/01/886938201.db2.gz KEORKOMDPQBHSE-MSYCTHLASA-N 1 0 383.536 3.668 10 0 GHAERO COc1cc([C@H](C)[NH2+]C2CCN(c3cccc(C)n3)CC2)cc(OC)c1OC ZINC000128132361 887149301 /nfs/dbraw/zinc/14/93/01/887149301.db2.gz KDAVMMRDCYJRHT-INIZCTEOSA-N 1 0 385.508 3.735 10 0 GHAERO COc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc(C)n3)CC2)cc1NC(C)=O ZINC000128199081 887158139 /nfs/dbraw/zinc/15/81/39/887158139.db2.gz OTLBFARXRKJJJS-MRXNPFEDSA-N 1 0 382.508 3.677 10 0 GHAERO Cc1cccc(N2CCC([NH2+][C@H](C)c3ccc(N4CCCC4=O)cc3)CC2)n1 ZINC000128218668 887162239 /nfs/dbraw/zinc/16/22/39/887162239.db2.gz KRGUVCIMLNVCDX-GOSISDBHSA-N 1 0 378.520 3.836 10 0 GHAERO CC(C)COc1ccc(CNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000056421623 888360356 /nfs/dbraw/zinc/36/03/56/888360356.db2.gz XVPFUQCVSVQEQM-UHFFFAOYSA-N 1 0 396.535 3.580 10 0 GHAERO Cc1cccc(C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C3CC3)CC2)c1 ZINC000061605194 888492460 /nfs/dbraw/zinc/49/24/60/888492460.db2.gz SRCVWRZWPPJRKK-UHFFFAOYSA-N 1 0 377.488 3.558 10 0 GHAERO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCC[C@H](c2nccs2)C1 ZINC000195346672 888681407 /nfs/dbraw/zinc/68/14/07/888681407.db2.gz ISZGXCLJLVNGFU-KGLIPLIRSA-N 1 0 381.509 3.595 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N1CCCC[C@H]1c1cccn1C ZINC000245426922 888748875 /nfs/dbraw/zinc/74/88/75/888748875.db2.gz GRZQOHRVFXAFOC-UZKOGDIHSA-N 1 0 395.551 3.567 10 0 GHAERO O[C@H](C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1)c1ccccc1C(F)(F)F ZINC000245781909 889713067 /nfs/dbraw/zinc/71/30/67/889713067.db2.gz VDUODJYOLLEXBO-CZUORRHYSA-N 1 0 380.414 3.614 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc(-c2ncco2)cc1 ZINC000245852708 889867051 /nfs/dbraw/zinc/86/70/51/889867051.db2.gz DBLJHOARZYDERN-OXJNMPFZSA-N 1 0 391.475 3.769 10 0 GHAERO COc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)ccc1OCc1c(C)noc1C ZINC000246234675 890792740 /nfs/dbraw/zinc/79/27/40/890792740.db2.gz WYUZATNJYUZYDT-MTNREXPMSA-N 1 0 398.503 3.926 10 0 GHAERO CN1CC[C@@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)[C@H]1c1ccccc1 ZINC000246373853 891082535 /nfs/dbraw/zinc/08/25/35/891082535.db2.gz JOGIECQBLYNVKR-HPQVKGSHSA-N 1 0 375.516 3.854 10 0 GHAERO CC(C)[N@H+](C)Cc1cccc(CNC(=O)C[C@@H]2Sc3ccccc3NC2=O)c1 ZINC000068271094 891173576 /nfs/dbraw/zinc/17/35/76/891173576.db2.gz DOMZJTCUEOMQID-FQEVSTJZSA-N 1 0 397.544 3.646 10 0 GHAERO O=C(NC1CC[NH+](CCc2ccncc2)CC1)N(Cc1ccccc1F)C1CC1 ZINC000072093801 891239678 /nfs/dbraw/zinc/23/96/78/891239678.db2.gz ROJUULOSFWUCLM-UHFFFAOYSA-N 1 0 396.510 3.602 10 0 GHAERO CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246542220 891284654 /nfs/dbraw/zinc/28/46/54/891284654.db2.gz JWIUAYVGLQORSE-AYOQOUSVSA-N 1 0 388.487 3.518 10 0 GHAERO O=S(=O)(CCCN1CCC[C@H]1C[C@@H](O)c1cccs1)c1ccccc1 ZINC000247058359 891340238 /nfs/dbraw/zinc/34/02/38/891340238.db2.gz OVWODDZCLRDCJM-FUHWJXTLSA-N 1 0 379.547 3.500 10 0 GHAERO COc1ccccc1C[C@H](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247323631 891366415 /nfs/dbraw/zinc/36/64/15/891366415.db2.gz XNZMSTVUJYPVKR-NNMXDRDESA-N 1 0 395.547 3.686 10 0 GHAERO Cc1ccc(C2(C(=O)N[C@@H]3CC[N@@H+](C)[C@H]3c3ccccc3)CCOCC2)cc1 ZINC000248135937 891412336 /nfs/dbraw/zinc/41/23/36/891412336.db2.gz XKVJEWVZAUHHKK-YADHBBJMSA-N 1 0 378.516 3.605 10 0 GHAERO COc1ccc([C@@H]2CCCN2C(=O)CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000248570961 891430616 /nfs/dbraw/zinc/43/06/16/891430616.db2.gz MABXSHSXSJMSRK-NOXFTYBFSA-N 1 0 399.579 3.601 10 0 GHAERO CCS(=O)(=O)CCCCCN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249066983 891492167 /nfs/dbraw/zinc/49/21/67/891492167.db2.gz KGGZDYVYAHXUOG-PZJWPPBQSA-N 1 0 380.598 3.576 10 0 GHAERO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ncc(Br)cc1F ZINC000250126606 891538872 /nfs/dbraw/zinc/53/88/72/891538872.db2.gz WIXCKZLZYYCSAH-NVBFEUDRSA-N 1 0 375.307 3.689 10 0 GHAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N(Cc2ccc(Cl)cc2)c2ccccc2)cn1 ZINC000261887914 892155010 /nfs/dbraw/zinc/15/50/10/892155010.db2.gz GATJIAOYCBKKPM-RTWAWAEBSA-N 1 0 394.906 3.610 10 0 GHAERO c1cncc(-c2nc3sc4c(c3c(N3CCC5(CC[NH2+]5)CC3)n2)CCC4)c1 ZINC000333331994 902013637 /nfs/dbraw/zinc/01/36/37/902013637.db2.gz WKABGFYELWGFIS-UHFFFAOYSA-N 1 0 377.517 3.574 10 0 GHAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)C[C@H]21 ZINC000333503425 902140349 /nfs/dbraw/zinc/14/03/49/902140349.db2.gz ICAJGBGVBKMYGQ-DJIMGWMZSA-N 1 0 391.544 3.806 10 0 GHAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000333780330 902327341 /nfs/dbraw/zinc/32/73/41/902327341.db2.gz DQEJQJAFCKERON-HKUYNNGSSA-N 1 0 385.487 3.595 10 0 GHAERO Cc1ccc(COc2c(Cl)cc(Cl)cc2C[NH2+]CCOCCO)cc1 ZINC000010436334 221102346 /nfs/dbraw/zinc/10/23/46/221102346.db2.gz PNUKXUHLXCYBCN-UHFFFAOYSA-N 1 0 384.303 3.979 10 0 GHAERO COc1ccc2[nH]c(C(=O)N3CCC[C@H]([N@H+](C)Cc4ccccc4)C3)cc2c1 ZINC000012612168 221214893 /nfs/dbraw/zinc/21/48/93/221214893.db2.gz CUXBVBQZHGWTJX-IBGZPJMESA-N 1 0 377.488 3.913 10 0 GHAERO COc1ccc(-c2nc(NC[C@@H]3CCC[NH2+]C3)cc(-c3cccnc3)n2)cc1 ZINC000073684836 523221794 /nfs/dbraw/zinc/22/17/94/523221794.db2.gz WCNYLXANUICLML-MRXNPFEDSA-N 1 0 375.476 3.626 10 0 GHAERO COc1ccccc1CC[NH2+]Cc1cc(Br)cc(OC)c1OC ZINC000020933959 570285405 /nfs/dbraw/zinc/28/54/05/570285405.db2.gz IIHMPUDXJUQBNQ-UHFFFAOYSA-N 1 0 380.282 3.807 10 0 GHAERO CCc1cc(OC)c(OC)cc1[C@@H]1CC2(OCCO2)[C@@H]2CCCC[C@H]2[N@@H+]1C ZINC000252257180 570727344 /nfs/dbraw/zinc/72/73/44/570727344.db2.gz NDHIZGXRKXDSMH-QRVBRYPASA-N 1 0 375.509 3.945 10 0 GHAERO Cc1cnn([C@@H]2CCCN(C(=O)NC3CC[NH+]([C@@H](C)c4ccccc4)CC3)C2)c1 ZINC000116561542 834369995 /nfs/dbraw/zinc/36/99/95/834369995.db2.gz HFYNGEDMGBGOGV-SIKLNZKXSA-N 1 0 395.551 3.764 10 0 GHAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000329626321 835462823 /nfs/dbraw/zinc/46/28/23/835462823.db2.gz GQSZYOBQJGAVEO-QAPCUYQASA-N 1 0 383.517 3.699 10 0 GHAERO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)c3cc4c([nH]c3=O)CCCCC4)C1)CCCC2 ZINC000275231590 836427400 /nfs/dbraw/zinc/42/74/00/836427400.db2.gz DWSLCDFABQGGQS-QGZVFWFLSA-N 1 0 394.519 3.527 10 0 GHAERO CCc1csc([C@@H]2CCCN(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)C2)n1 ZINC000113576723 838004076 /nfs/dbraw/zinc/00/40/76/838004076.db2.gz JBTDYTVYGCXWQQ-CQSZACIVSA-N 1 0 378.586 3.904 10 0 GHAERO C[C@@H](C(=O)N1CCCC[C@@H]1c1cn[nH]c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000113888608 838422334 /nfs/dbraw/zinc/42/23/34/838422334.db2.gz PXFCRBLRCBQIFA-PGRDOPGGSA-N 1 0 380.536 3.807 10 0 GHAERO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2Cc2nc3c4ccccc4oc3c(=O)[nH]2)C1 ZINC000328756502 840405549 /nfs/dbraw/zinc/40/55/49/840405549.db2.gz UGDLVQMTQNLMFW-IWCQGFGOSA-N 1 0 381.476 3.843 10 0 GHAERO Cc1ccc([C@@H]2CCCCN2C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)o1 ZINC000246464102 841655342 /nfs/dbraw/zinc/65/53/42/841655342.db2.gz AHCBVTXZUSAVGC-SLFFLAALSA-N 1 0 389.540 3.593 10 0 GHAERO Cc1cccnc1/C=C\C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000588451902 843307242 /nfs/dbraw/zinc/30/72/42/843307242.db2.gz MWYWORZMKYXCTD-SEYXRHQNSA-N 1 0 392.503 3.856 10 0 GHAERO COc1cc(/C=C(\C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc2)ccc1O ZINC000588503111 846349947 /nfs/dbraw/zinc/34/99/47/846349947.db2.gz UMFDNFVHLPQYRR-UTCWIXCNSA-N 1 0 394.515 3.883 10 0 GHAERO Cc1coc(-c2cc(NC(=O)N3CCC([N@H+]4CCO[C@@H](C)C4)CC3)ccc2C)n1 ZINC000154081246 849182460 /nfs/dbraw/zinc/18/24/60/849182460.db2.gz GHUZDIGLJNPUOC-KRWDZBQOSA-N 1 0 398.507 3.675 10 0 GHAERO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000102928769 860904820 /nfs/dbraw/zinc/90/48/20/860904820.db2.gz YUURBGUGLYRGJY-LJQANCHMSA-N 1 0 380.444 3.784 10 0 GHAERO Cn1nccc1[C@H]1[C@H]([NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CCC(=O)N1C1CC1 ZINC000329063201 860986076 /nfs/dbraw/zinc/98/60/76/860986076.db2.gz ZTRVAGCGHVSLFT-PEVILPJXSA-N 1 0 392.547 3.715 10 0 GHAERO Cc1ccc(OCCN(C)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000103185309 863907082 /nfs/dbraw/zinc/90/70/82/863907082.db2.gz HRGRKEMSNHHTKY-JOCHJYFZSA-N 1 0 395.547 3.580 10 0 GHAERO O=C(NCCCC[NH+]1CCOCC1)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000103305929 863950114 /nfs/dbraw/zinc/95/01/14/863950114.db2.gz BEYWBWDDUOQRHV-UHFFFAOYSA-N 1 0 379.932 3.521 10 0 GHAERO Cc1ccc(CCCC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000104924559 864692295 /nfs/dbraw/zinc/69/22/95/864692295.db2.gz UGWZJHGLZZKUAT-UHFFFAOYSA-N 1 0 380.532 3.591 10 0 GHAERO Cc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c2cccs2)cc1 ZINC000248165951 864837343 /nfs/dbraw/zinc/83/73/43/864837343.db2.gz SXRWBNSEVLBXRQ-OIBXWCBGSA-N 1 0 398.572 3.889 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@@H]3C[C@@H]3c3cccc4ccccc43)CC2)CCO1 ZINC000171665481 882121812 /nfs/dbraw/zinc/12/18/12/882121812.db2.gz VSJNIWDEKZNWCM-NLSFWIRASA-N 1 0 378.516 3.655 10 0 GHAERO COc1cc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2O)ccc1OCc1c(C)noc1C ZINC000172067921 882167524 /nfs/dbraw/zinc/16/75/24/882167524.db2.gz YNAYNUJQWWNHHT-OFNKIYASSA-N 1 0 394.471 3.627 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc2scnc2c1 ZINC000172152560 882172884 /nfs/dbraw/zinc/17/28/84/882172884.db2.gz ROFXSLMBHJANKZ-PBHICJAKSA-N 1 0 381.505 3.723 10 0 GHAERO COc1c(C)ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1C ZINC000172147287 882173445 /nfs/dbraw/zinc/17/34/45/882173445.db2.gz MOIRVVBBPQNDAO-LPHOPBHVSA-N 1 0 382.508 3.739 10 0 GHAERO COc1cc(C)ccc1Oc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cn1 ZINC000105001575 870607950 /nfs/dbraw/zinc/60/79/50/870607950.db2.gz VARQKXQXWWWWEJ-SFHVURJKSA-N 1 0 396.491 3.893 10 0 GHAERO COc1cc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)ccc1OCc1ccncc1 ZINC000093690750 882598141 /nfs/dbraw/zinc/59/81/41/882598141.db2.gz ZASXNZCLECQZSA-OAQYLSRUSA-N 1 0 391.471 3.718 10 0 GHAERO CCS[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000175773049 882624150 /nfs/dbraw/zinc/62/41/50/882624150.db2.gz NDGRKUMHHGXAOE-RAUXBKROSA-N 1 0 390.597 3.656 10 0 GHAERO Cc1[nH]c2ccc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cc2c1C ZINC000116246599 873368663 /nfs/dbraw/zinc/36/86/63/873368663.db2.gz MVHZJSIGLFFLTQ-BTYIYWSLSA-N 1 0 376.504 3.820 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccccc1OCC1CC1 ZINC000116248524 873368859 /nfs/dbraw/zinc/36/88/59/873368859.db2.gz WUDSRAIALJIHHZ-UWJYYQICSA-N 1 0 379.504 3.511 10 0 GHAERO CC[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1nc(C)cs1 ZINC000116547021 873565992 /nfs/dbraw/zinc/56/59/92/873565992.db2.gz OGWXVSBILRDWPC-WBAXXEDZSA-N 1 0 387.553 3.507 10 0 GHAERO Cc1nc(C)c([C@H](C)N(C)C(=O)NC2CCN(c3cccc(C)n3)CC2)s1 ZINC000116970366 873800339 /nfs/dbraw/zinc/80/03/39/873800339.db2.gz VKKDJOHUCOLWBJ-HNNXBMFYSA-N 1 0 387.553 3.835 10 0 GHAERO COc1ccc2c(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCO4)cc(=O)oc2c1 ZINC000102929036 873890716 /nfs/dbraw/zinc/89/07/16/873890716.db2.gz YRPONJUOLZEFGY-GOSISDBHSA-N 1 0 379.412 3.867 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)/C=C/c1ccnc2ccccc12 ZINC000117807378 874216996 /nfs/dbraw/zinc/21/69/96/874216996.db2.gz JTXDNGLBTLLJKJ-BDWJNYAHSA-N 1 0 386.499 3.670 10 0 GHAERO C[N@H+](CCCNS(=O)(=O)/C=C/c1ccc(Cl)cc1)Cc1ccccc1 ZINC000105162309 875104644 /nfs/dbraw/zinc/10/46/44/875104644.db2.gz GHYYCRYHPUAURY-NTCAYCPXSA-N 1 0 378.925 3.752 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)CCO1 ZINC000178495632 882897024 /nfs/dbraw/zinc/89/70/24/882897024.db2.gz ZTOZVVAQQZXRHK-LBPRGKRZSA-N 1 0 390.833 3.684 10 0 GHAERO C[C@H]([NH2+]CC[C@H]1c2ccccc2NC1=O)c1ccc(NC(=O)NC2CC2)cc1 ZINC000180400020 883055310 /nfs/dbraw/zinc/05/53/10/883055310.db2.gz MCQGUFPKEXYIMC-LIRRHRJNSA-N 1 0 378.476 3.747 10 0 GHAERO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000183343095 883261621 /nfs/dbraw/zinc/26/16/21/883261621.db2.gz BMNUSNXUJMYHFG-UHFFFAOYSA-N 1 0 393.409 3.979 10 0 GHAERO CC[NH+]1CCN(c2cccc(NC(=O)N3CCC[C@@H](c4nccs4)C3)c2)CC1 ZINC000184885961 883389176 /nfs/dbraw/zinc/38/91/76/883389176.db2.gz WIBPGHLAVGIEHI-QGZVFWFLSA-N 1 0 399.564 3.697 10 0 GHAERO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-n3cccn3)cc2)c2ccc(F)cc2C1 ZINC000185358564 883440949 /nfs/dbraw/zinc/44/09/49/883440949.db2.gz YIZKOVIKHOTJJI-JOCHJYFZSA-N 1 0 378.451 3.595 10 0 GHAERO CN1Cc2cc(NC(=O)N3CCC(CCC[NH+]4CCCC4)CC3)ccc2NC1=O ZINC000186599158 883669187 /nfs/dbraw/zinc/66/91/87/883669187.db2.gz UONSKFZBPQXGKH-UHFFFAOYSA-N 1 0 399.539 3.784 10 0 GHAERO CN1Cc2cc(NC(=O)N[C@@H](C[NH+]3CCCC3)c3ccccc3)ccc2NC1=O ZINC000186653570 883683034 /nfs/dbraw/zinc/68/30/34/883683034.db2.gz TTZKSQRHOKTDLW-FQEVSTJZSA-N 1 0 393.491 3.623 10 0 GHAERO Cc1ccc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1NC(=O)c1ccccc1 ZINC000188675577 883870533 /nfs/dbraw/zinc/87/05/33/883870533.db2.gz LIWXXODFHPOQRQ-UHFFFAOYSA-N 1 0 385.467 3.781 10 0 GHAERO CN1CC[N@H+](CCCNC(=O)c2cccc3ccccc32)[C@H](c2ccccc2)C1 ZINC000106025551 884920515 /nfs/dbraw/zinc/92/05/15/884920515.db2.gz TWTAUZUOMUGHEG-DEOSSOPVSA-N 1 0 387.527 3.948 10 0 GHAERO CCOc1ccc(Br)cc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000102801869 885977069 /nfs/dbraw/zinc/97/70/69/885977069.db2.gz FWPQJYUHTYBZFD-UHFFFAOYSA-N 1 0 396.329 3.940 10 0 GHAERO Brc1ccc(-c2noc(CN3CCC([NH+]4CCCC4)CC3)n2)s1 ZINC000114456551 886313702 /nfs/dbraw/zinc/31/37/02/886313702.db2.gz HIEUGHBVNAVECM-UHFFFAOYSA-N 1 0 397.342 3.621 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCCc1ccc(Cl)s1 ZINC000116533385 886366193 /nfs/dbraw/zinc/36/61/93/886366193.db2.gz ACULDCYGBUCFQF-YOEHRIQHSA-N 1 0 392.956 3.549 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3cccc(CCC(F)(F)F)c3)CC2)CCO1 ZINC000124380230 886738526 /nfs/dbraw/zinc/73/85/26/886738526.db2.gz LROHQRSJCCBKIN-HNNXBMFYSA-N 1 0 399.457 3.899 10 0 GHAERO CCCCOc1ccccc1NC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000125431317 886866347 /nfs/dbraw/zinc/86/63/47/886866347.db2.gz KZVFANPUDFCJJY-QGZVFWFLSA-N 1 0 375.513 3.583 10 0 GHAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)Nc3cccc(SC(F)F)c3)C2)CC1 ZINC000126243461 886948654 /nfs/dbraw/zinc/94/86/54/886948654.db2.gz KAUSXPGFUIHGGZ-MRXNPFEDSA-N 1 0 398.523 3.635 10 0 GHAERO CSc1ccc(NC(=O)N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)cc1Cl ZINC000126600820 886987568 /nfs/dbraw/zinc/98/75/68/886987568.db2.gz YCNLNDKOSAVXOY-MRXNPFEDSA-N 1 0 396.988 3.696 10 0 GHAERO O=C(Cc1nc(C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)cs1)Nc1ccccc1 ZINC000128294677 887167132 /nfs/dbraw/zinc/16/71/32/887167132.db2.gz VJZMXHBFXXBINF-RTBURBONSA-N 1 0 395.532 3.794 10 0 GHAERO COc1ccccc1CCN(C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000105077279 887453393 /nfs/dbraw/zinc/45/33/93/887453393.db2.gz HORBWUOZKVVPOK-LJQANCHMSA-N 1 0 385.508 3.699 10 0 GHAERO CC1CCN(C(=O)c2ccccc2NC(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000056703509 888374620 /nfs/dbraw/zinc/37/46/20/888374620.db2.gz BADGAQRZDARXNH-UHFFFAOYSA-N 1 0 398.551 3.651 10 0 GHAERO CCCCOc1cccc(NC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000193754615 888521734 /nfs/dbraw/zinc/52/17/34/888521734.db2.gz YXWAPLKZUNAQNG-QGZVFWFLSA-N 1 0 375.513 3.583 10 0 GHAERO CC(C)Cn1cc(C(F)F)c(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000193818462 888530474 /nfs/dbraw/zinc/53/04/74/888530474.db2.gz SMFCGTXAIQPXKR-KRWDZBQOSA-N 1 0 390.478 3.729 10 0 GHAERO CC(=O)c1ccc(OCCC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000194212011 888568263 /nfs/dbraw/zinc/56/82/63/888568263.db2.gz ZHVXSRKUMOBYDJ-UHFFFAOYSA-N 1 0 398.478 3.578 10 0 GHAERO Cc1ccccc1-c1noc([C@H](C)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC000245495914 888797236 /nfs/dbraw/zinc/79/72/36/888797236.db2.gz QKUJPLZTKYSNMJ-HOTGVXAUSA-N 1 0 386.496 3.953 10 0 GHAERO Cc1ccc(-c2ncc(C[N@H+]3CCC[C@@H]([C@@H](O)c4nccn4C)C3)s2)cc1 ZINC000245698249 889266598 /nfs/dbraw/zinc/26/65/98/889266598.db2.gz BGNOYCWLMFUJCJ-IEBWSBKVSA-N 1 0 382.533 3.798 10 0 GHAERO CCc1nc(CC(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cs1 ZINC000245728072 889514511 /nfs/dbraw/zinc/51/45/11/889514511.db2.gz SLXAIELAPNDMKQ-YJYMSZOUSA-N 1 0 395.931 3.850 10 0 GHAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)C1 ZINC000246008273 890171655 /nfs/dbraw/zinc/17/16/55/890171655.db2.gz SPVHCIMZBKKXJK-FXAWDEMLSA-N 1 0 398.482 3.639 10 0 GHAERO Cc1ccc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1C(=O)NC(C)C ZINC000246215930 890710236 /nfs/dbraw/zinc/71/02/36/890710236.db2.gz XWLXXHQRKHXJQQ-GCJKJVERSA-N 1 0 380.536 3.851 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000246285065 890941291 /nfs/dbraw/zinc/94/12/91/890941291.db2.gz ADVUZFGGEUIWBC-DNVCBOLYSA-N 1 0 394.450 3.516 10 0 GHAERO Cc1cc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)nc(-c2ccc(Cl)cc2)n1 ZINC000246704116 891300320 /nfs/dbraw/zinc/30/03/20/891300320.db2.gz NCGKWLFLNIBAGN-MSOLQXFVSA-N 1 0 375.925 3.812 10 0 GHAERO C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(F)cc1F ZINC000246803679 891308812 /nfs/dbraw/zinc/30/88/12/891308812.db2.gz BDUUBNDCLURSGM-AUSJPIAWSA-N 1 0 388.462 3.631 10 0 GHAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1cccc(N2CCOC2=O)c1 ZINC000246983755 891328112 /nfs/dbraw/zinc/32/81/12/891328112.db2.gz KGCMTKZDYPTRNU-NPPFBWRTSA-N 1 0 394.519 3.599 10 0 GHAERO C[N@@H+]1CCC[C@@H]2CN(CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC[C@H]21 ZINC000247282608 891361982 /nfs/dbraw/zinc/36/19/82/891361982.db2.gz SXEDOKFLBYBBEW-MLGOLLRUSA-N 1 0 389.849 3.713 10 0 GHAERO Cc1cccc(C)c1NC(=O)CCC[N@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000247300782 891363722 /nfs/dbraw/zinc/36/37/22/891363722.db2.gz URVHLHNDMBEDTI-NJDAHSKKSA-N 1 0 387.568 3.596 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCc1ccc(Cl)s1 ZINC000247568913 891387671 /nfs/dbraw/zinc/38/76/71/891387671.db2.gz WGRJENIQLPGAOO-CZUORRHYSA-N 1 0 378.929 3.506 10 0 GHAERO C[C@H](c1ccc(F)cc1)N(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247573501 891388347 /nfs/dbraw/zinc/38/83/47/891388347.db2.gz XBRXINSHSVQLAP-LZJOCLMNSA-N 1 0 384.499 3.834 10 0 GHAERO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc4oc(C(F)(F)F)nc4c3)CC[C@H]21 ZINC000248012362 891401995 /nfs/dbraw/zinc/40/19/95/891401995.db2.gz LKDXGVMNVDCTCX-SMDDNHRTSA-N 1 0 382.386 3.795 10 0 GHAERO COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1 ZINC000247998914 891405714 /nfs/dbraw/zinc/40/57/14/891405714.db2.gz KEORKOMDPQBHSE-SFYKDHMMSA-N 1 0 383.536 3.668 10 0 GHAERO C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)[C@H](c2ccco2)C1 ZINC000248455540 891438143 /nfs/dbraw/zinc/43/81/43/891438143.db2.gz RNLJNWOXUSLMII-UIFIKXQLSA-N 1 0 397.519 3.529 10 0 GHAERO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C)c1nccs1 ZINC000248590186 891441687 /nfs/dbraw/zinc/44/16/87/891441687.db2.gz RCVYGAIETPYYTE-HKUYNNGSSA-N 1 0 386.565 3.800 10 0 GHAERO Cc1cnc([C@H](C)CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2ccnc2)s1 ZINC000248633299 891448679 /nfs/dbraw/zinc/44/86/79/891448679.db2.gz PPSDQZTVHWXTBT-ZMYBRWDISA-N 1 0 395.532 3.980 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(F)c(Cl)c1F ZINC000248898893 891480122 /nfs/dbraw/zinc/48/01/22/891480122.db2.gz VXURPDLDKPUBOA-MLGOLLRUSA-N 1 0 379.838 3.654 10 0 GHAERO CCOCCC[N@@H+]1CC[C@H](NCc2nnc(-c3ccccc3Cl)o2)[C@@H](C)C1 ZINC000249451727 891507755 /nfs/dbraw/zinc/50/77/55/891507755.db2.gz OPVOTYPPPABLHB-YJBOKZPZSA-N 1 0 392.931 3.617 10 0 GHAERO CCCOc1ccc(NC(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c(C)c1 ZINC000079549161 892417596 /nfs/dbraw/zinc/41/75/96/892417596.db2.gz BGROYDLFDCFAPQ-KRWDZBQOSA-N 1 0 375.513 3.501 10 0 GHAERO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Nc2ccc3c4c(cccc42)CC3)CC1 ZINC000333183601 900017878 /nfs/dbraw/zinc/01/78/78/900017878.db2.gz SKMQGJJGHGUZSQ-KNQAVFIVSA-N 1 0 379.504 3.689 10 0 GHAERO CC1(C)CCc2ccccc2[C@@H]1NC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333378237 902047326 /nfs/dbraw/zinc/04/73/26/902047326.db2.gz NGMKMRLEJCCEJZ-HBMCJLEFSA-N 1 0 385.552 3.628 10 0 GHAERO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1cnn(-c2ccc(F)cc2)c1 ZINC000333395337 902060757 /nfs/dbraw/zinc/06/07/57/902060757.db2.gz ASPAXQMBWCDPEY-QWEHLCMWSA-N 1 0 398.526 3.945 10 0 GHAERO Cc1cc(NC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1Br ZINC000333946351 902446394 /nfs/dbraw/zinc/44/63/94/902446394.db2.gz UNVFLWISEDOTCN-IRXDYDNUSA-N 1 0 396.329 3.508 10 0 GHAERO CCC(=O)O[C@@](C)(c1ccccc1)[C@H](Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000022040951 212153708 /nfs/dbraw/zinc/15/37/08/212153708.db2.gz HYAOCXOBJATGBG-NOZRDPDXSA-N 1 0 394.559 3.961 10 0 GHAERO COc1cccc(C2(O)CCC([NH+]3CCN(Cc4ccccc4)CC3)CC2)c1 ZINC000022926597 212153308 /nfs/dbraw/zinc/15/33/08/212153308.db2.gz IJOZGKSSYXCNJG-UHFFFAOYSA-N 1 0 380.532 3.643 10 0 GHAERO CCOc1ccc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc1Cl ZINC000010475409 221104002 /nfs/dbraw/zinc/10/40/02/221104002.db2.gz ZJYFFVPNEHUCFY-UHFFFAOYSA-N 1 0 389.912 3.596 10 0 GHAERO CC[C@H](CO)[NH2+]Cc1cc(Br)cc(OC)c1OCc1ccccc1 ZINC000010474309 221104450 /nfs/dbraw/zinc/10/44/50/221104450.db2.gz GKUCDJJJMVGTHI-QGZVFWFLSA-N 1 0 394.309 3.897 10 0 GHAERO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CCn2cnc3ccccc32)C1 ZINC000011937505 221138478 /nfs/dbraw/zinc/13/84/78/221138478.db2.gz JPUVBIVZUPSAKN-HXUWFJFHSA-N 1 0 376.504 3.549 10 0 GHAERO COc1cccc(CN2CCC[C@]3(CC[N@H+](CCCC(F)(F)F)C3)C2=O)c1 ZINC000012612381 221214266 /nfs/dbraw/zinc/21/42/66/221214266.db2.gz LOWFEPWHJACTRV-LJQANCHMSA-N 1 0 384.442 3.852 10 0 GHAERO O=C(NCc1ccc(F)cc1)NCC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000013363895 221267059 /nfs/dbraw/zinc/26/70/59/221267059.db2.gz KNQCMJKJVJZBFF-UHFFFAOYSA-N 1 0 387.474 3.719 10 0 GHAERO OCC[NH2+]CCCNCc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000013733268 221285757 /nfs/dbraw/zinc/28/57/57/221285757.db2.gz UOASVYJSLRMZJL-UHFFFAOYSA-N 1 0 383.319 3.634 10 0 GHAERO CC(C)(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cccc(-n4cccn4)c3)C2)C1 ZINC000014978361 221322993 /nfs/dbraw/zinc/32/29/93/221322993.db2.gz JDCSLBBHPAXHQH-QHCPKHFHSA-N 1 0 380.536 3.847 10 0 GHAERO CCOCCC[NH2+]CCOc1c(Br)cccc1Br ZINC000053568192 222011153 /nfs/dbraw/zinc/01/11/53/222011153.db2.gz OKNBOJQDFOXIGI-UHFFFAOYSA-N 1 0 381.108 3.607 10 0 GHAERO COc1c(Br)cc(C[NH2+]Cc2ccccn2)cc1Br ZINC000020927433 570288375 /nfs/dbraw/zinc/28/83/75/570288375.db2.gz NWOKUDAOVHVKFV-UHFFFAOYSA-N 1 0 386.087 3.905 10 0 GHAERO COc1ccc2c(C[N@@H+]3CCN(c4cccc(C)c4)[C@H](C)C3)cc(=O)oc2c1 ZINC000251077458 570724296 /nfs/dbraw/zinc/72/42/96/570724296.db2.gz SYJSUJWZOOIUCY-QGZVFWFLSA-N 1 0 378.472 3.821 10 0 GHAERO Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)c12 ZINC000113229031 837822577 /nfs/dbraw/zinc/82/25/77/837822577.db2.gz VJAGUJYOARLFFU-SUMWQHHRSA-N 1 0 394.450 3.646 10 0 GHAERO CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)NCCCC[NH+]1CCCC1 ZINC000101789721 835591250 /nfs/dbraw/zinc/59/12/50/835591250.db2.gz VAXURGLJCWPGKC-HXUWFJFHSA-N 1 0 383.540 3.779 10 0 GHAERO C[C@@H]1CCc2[nH]c3ccc(-c4nc([C@H]5C[N@@H+]6CCC[C@H]6CO5)no4)cc3c2C1 ZINC000329726043 835791317 /nfs/dbraw/zinc/79/13/17/835791317.db2.gz OHZGMZXTPBGOIS-IAMHBRQHSA-N 1 0 378.476 3.878 10 0 GHAERO CC[NH+](CC)Cc1ccc(C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1 ZINC000106313962 838498804 /nfs/dbraw/zinc/49/88/04/838498804.db2.gz MVBBBLIDTJESKA-UHFFFAOYSA-N 1 0 399.579 3.830 10 0 GHAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000179893069 838555834 /nfs/dbraw/zinc/55/58/34/838555834.db2.gz MUVHCPWUZPXMJJ-OXQOHEQNSA-N 1 0 384.524 3.906 10 0 GHAERO O=C(/C=C\c1ccnc(Cl)c1)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000588383428 839878750 /nfs/dbraw/zinc/87/87/50/839878750.db2.gz ACILTJWLUAYOTJ-YVMONPNESA-N 1 0 399.922 3.582 10 0 GHAERO CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c2)CC1 ZINC000120242043 840955340 /nfs/dbraw/zinc/95/53/40/840955340.db2.gz WSAJKLOTVZUMFV-ISKFKSNPSA-N 1 0 399.579 3.755 10 0 GHAERO Cc1ccc([C@@H]2CCCCN2C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)o1 ZINC000246464085 841655389 /nfs/dbraw/zinc/65/53/89/841655389.db2.gz AHCBVTXZUSAVGC-HSALFYBXSA-N 1 0 389.540 3.593 10 0 GHAERO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000247593950 842958419 /nfs/dbraw/zinc/95/84/19/842958419.db2.gz JZWLOFZYVJBBAU-PMACEKPBSA-N 1 0 381.524 3.701 10 0 GHAERO COCCc1ncc(CN2CC[C@@]3(C2)CCC[N@H+](CC2CCCCC2)C3)cn1 ZINC000023399123 847014205 /nfs/dbraw/zinc/01/42/05/847014205.db2.gz CJKAYQZQHMWVLW-QHCPKHFHSA-N 1 0 386.584 3.534 10 0 GHAERO CCn1cnnc1C1CC[NH+](Cc2c3ccccc3sc2C(=O)OC)CC1 ZINC000155440616 849528549 /nfs/dbraw/zinc/52/85/49/849528549.db2.gz UDRUVKIOVGNLRM-UHFFFAOYSA-N 1 0 384.505 3.679 10 0 GHAERO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)C(=O)C[C@@H]1CCCCNC1=O ZINC000329820066 862344353 /nfs/dbraw/zinc/34/43/53/862344353.db2.gz GLBDPJWINNELHK-GXKRZCMTSA-N 1 0 385.552 3.748 10 0 GHAERO C[C@@H]1CCc2c(sc3nc(C[NH2+][C@@H]4CCC(=O)NC45CCC5)nc(N)c23)C1 ZINC000328725356 854505718 /nfs/dbraw/zinc/50/57/18/854505718.db2.gz ZBHHPIYTBRNVCQ-BXUZGUMPSA-N 1 0 385.537 3.530 10 0 GHAERO CN1C(=O)C[C@@H](C[NH2+][C@@H]2CCC(C)(C)C2)[C@@H]1c1cnn(-c2ccc(F)cc2)c1 ZINC000330111388 862581512 /nfs/dbraw/zinc/58/15/12/862581512.db2.gz AZUWJNYVILWOSY-RRMPHLOHSA-N 1 0 384.499 3.699 10 0 GHAERO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000051056376 854688826 /nfs/dbraw/zinc/68/88/26/854688826.db2.gz TTXMGMCCQQDQOA-GJZGRUSLSA-N 1 0 380.916 3.723 10 0 GHAERO C[C@H]1C[C@H]([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(-c3ccc(F)cc3)c2)C[C@@H](C)C1 ZINC000330149709 862616224 /nfs/dbraw/zinc/61/62/24/862616224.db2.gz VGUFYKQTJFFGMP-DLFUNHFGSA-N 1 0 398.526 3.945 10 0 GHAERO Cc1nnc(CN(C[C@H](O)COc2cccc3ccccc32)C(C)C)n1C1CC1 ZINC000104964854 856452936 /nfs/dbraw/zinc/45/29/36/856452936.db2.gz TXQSGZMYZBRGHA-FQEVSTJZSA-N 1 0 394.519 3.725 10 0 GHAERO Cc1cc([C@@H]2CCCN2C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)on1 ZINC000067569875 856556423 /nfs/dbraw/zinc/55/64/23/856556423.db2.gz IFTHPKOTLSMZDZ-PMACEKPBSA-N 1 0 382.508 3.884 10 0 GHAERO CCn1cc(C2CCN(C(=O)NCC(C)(C)[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)cn1 ZINC000157476189 858397085 /nfs/dbraw/zinc/39/70/85/858397085.db2.gz XOCAJXWDYQDOHU-HDICACEKSA-N 1 0 389.588 3.549 10 0 GHAERO CCC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000102402098 860258078 /nfs/dbraw/zinc/25/80/78/860258078.db2.gz VMRMJLBJXBAUQX-OAHLLOKOSA-N 1 0 390.915 3.874 10 0 GHAERO CC(C)Sc1ccc([C@H](C)NC(=O)NCCCC[NH+]2CCOCC2)cc1 ZINC000103512302 864046148 /nfs/dbraw/zinc/04/61/48/864046148.db2.gz VXDNHEWDEBVSPQ-KRWDZBQOSA-N 1 0 379.570 3.660 10 0 GHAERO C[C@@H]1CCC[N@@H+]1C1CCN(c2ncc(C(=O)N3CCCCC3)cc2Cl)CC1 ZINC000301755268 865524388 /nfs/dbraw/zinc/52/43/88/865524388.db2.gz CXGJFKIVVWDARN-MRXNPFEDSA-N 1 0 390.959 3.814 10 0 GHAERO Cc1ccc(C[C@@H](NC(=O)N2CCC[N@@H+](C3CC3)CC2)c2ccccn2)cc1 ZINC000172164632 882174828 /nfs/dbraw/zinc/17/48/28/882174828.db2.gz MYAYUVFRMFTOKW-JOCHJYFZSA-N 1 0 378.520 3.554 10 0 GHAERO CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000172194040 882176022 /nfs/dbraw/zinc/17/60/22/882176022.db2.gz ZPCBXSYTOCVYBQ-PGRDOPGGSA-N 1 0 396.535 3.532 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)COc1cccc2ccccc21 ZINC000172013235 882182504 /nfs/dbraw/zinc/18/25/04/882182504.db2.gz PDGODOJHFXTMMO-AVRDEDQJSA-N 1 0 389.499 3.640 10 0 GHAERO COc1c(Br)c(C)sc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000173031086 882332977 /nfs/dbraw/zinc/33/29/77/882332977.db2.gz XEVQANNSTKWVRT-UHFFFAOYSA-N 1 0 387.343 3.528 10 0 GHAERO C[C@H](c1nc2ccccc2n1C(F)F)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000174893700 882535576 /nfs/dbraw/zinc/53/55/76/882535576.db2.gz NBTVUKKUKJNSRC-SJORKVTESA-N 1 0 391.510 3.594 10 0 GHAERO Cc1cc(NC(=O)C2CC[NH+](C[C@@H](O)c3ccc(Cl)cc3Cl)CC2)no1 ZINC000179577370 883011179 /nfs/dbraw/zinc/01/11/79/883011179.db2.gz YZUHKJCBQXVCOP-MRXNPFEDSA-N 1 0 398.290 3.674 10 0 GHAERO CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000179910374 883037662 /nfs/dbraw/zinc/03/76/62/883037662.db2.gz MKFIZNWUJQIBDH-QFIPXVFZSA-N 1 0 395.547 3.589 10 0 GHAERO C[C@H](CC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1)Cc1ccc(Cl)cc1 ZINC000180064864 883048236 /nfs/dbraw/zinc/04/82/36/883048236.db2.gz MHJUVVCUQJMBDP-RXVVDRJESA-N 1 0 391.987 3.537 10 0 GHAERO COc1cc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)ccc1OCc1c(C)noc1C ZINC000121283703 876722397 /nfs/dbraw/zinc/72/23/97/876722397.db2.gz GYOAKKKKCNXIGC-GOSISDBHSA-N 1 0 396.491 3.982 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C1(c2ccc(F)cc2F)CCC1 ZINC000180419212 883058141 /nfs/dbraw/zinc/05/81/41/883058141.db2.gz PNVIQGSDPAGYMO-KKSFZXQISA-N 1 0 399.485 3.808 10 0 GHAERO COc1ccc(C(=O)c2ccccc2C(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000181922558 883193785 /nfs/dbraw/zinc/19/37/85/883193785.db2.gz ULWZOQDRIXQJMG-UHFFFAOYSA-N 1 0 392.499 3.627 10 0 GHAERO O=C(c1csc(-c2ccc(F)c(F)c2)n1)N1CCC([NH+]2CCCC2)CC1 ZINC000183658435 883292488 /nfs/dbraw/zinc/29/24/88/883292488.db2.gz WVDGSKPCCZSFBL-UHFFFAOYSA-N 1 0 377.460 3.789 10 0 GHAERO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(-c2ccccc2)o1 ZINC000184896701 883388746 /nfs/dbraw/zinc/38/87/46/883388746.db2.gz DOUUJNJUXMDZKO-OXJNMPFZSA-N 1 0 390.487 3.685 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCc1ccc(C(F)F)cc1 ZINC000185539212 883552760 /nfs/dbraw/zinc/55/27/60/883552760.db2.gz NVBVVVSVAQMAEL-BEFAXECRSA-N 1 0 388.462 3.729 10 0 GHAERO O=S1(=O)CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)c2ccccc21 ZINC000186384560 883652703 /nfs/dbraw/zinc/65/27/03/883652703.db2.gz KDOUJOXSSGGEJA-ACJLOTCBSA-N 1 0 394.899 3.566 10 0 GHAERO CN1Cc2cc(NC(=O)NC3CC[NH+](C4CCCCC4)CC3)ccc2NC1=O ZINC000186697935 883687917 /nfs/dbraw/zinc/68/79/17/883687917.db2.gz OVVACXVFDINKGD-UHFFFAOYSA-N 1 0 385.512 3.583 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cccc2ccn(C)c21 ZINC000190019920 884043132 /nfs/dbraw/zinc/04/31/32/884043132.db2.gz OPXFLKUNBHTVBO-APWZRJJASA-N 1 0 377.492 3.605 10 0 GHAERO COc1ccc([C@H](C)NC(=O)NC2CCN(c3cccc(C)n3)CC2)cc1F ZINC000116934233 886373625 /nfs/dbraw/zinc/37/36/25/886373625.db2.gz JAHDPNQCWWTONP-HNNXBMFYSA-N 1 0 386.471 3.567 10 0 GHAERO CCCCOc1ccc(NC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c(C)c1 ZINC000128604823 887207541 /nfs/dbraw/zinc/20/75/41/887207541.db2.gz CXVIHELEMCMLHB-GOSISDBHSA-N 1 0 389.540 3.891 10 0 GHAERO O=C(NCc1nc(C[NH2+][C@H]2CCCC[C@H]2n2cccn2)cs1)c1ccccc1 ZINC000129110800 887261154 /nfs/dbraw/zinc/26/11/54/887261154.db2.gz YOFPHKIDGCBREL-RBUKOAKNSA-N 1 0 395.532 3.543 10 0 GHAERO O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000047862574 887379164 /nfs/dbraw/zinc/37/91/64/887379164.db2.gz QJKFNNJXNYCZIZ-UHFFFAOYSA-N 1 0 378.467 3.657 10 0 GHAERO CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000052816739 887890218 /nfs/dbraw/zinc/89/02/18/887890218.db2.gz AFFWVWZYKQTKBA-HXUWFJFHSA-N 1 0 399.579 3.538 10 0 GHAERO COCCn1ccc2ccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)cc21 ZINC000245539634 888867164 /nfs/dbraw/zinc/86/71/64/888867164.db2.gz OHGFCTDDHXMMED-UXHICEINSA-N 1 0 384.524 3.767 10 0 GHAERO C[C@H](Cc1ccccc1Cl)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000245549547 888907383 /nfs/dbraw/zinc/90/73/83/888907383.db2.gz OGIDVFXYSYFPNQ-WWMYMODYSA-N 1 0 385.939 3.940 10 0 GHAERO C[N@@H+]1CC[C@@H](CNC(=O)CCc2cscn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245656040 889173405 /nfs/dbraw/zinc/17/34/05/889173405.db2.gz DNQWHKCKVJYVEV-SCLBCKFNSA-N 1 0 381.904 3.677 10 0 GHAERO C[C@H]1CN(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)[C@@H]1c1ccccc1 ZINC000245675769 889205433 /nfs/dbraw/zinc/20/54/33/889205433.db2.gz FUWJAUITRWLWKN-KSCDAYEDSA-N 1 0 378.520 3.695 10 0 GHAERO CC(C)c1nn(C)c(Cl)c1C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000245681694 889214711 /nfs/dbraw/zinc/21/47/11/889214711.db2.gz MUKHUHFXQCVHCY-YOEHRIQHSA-N 1 0 396.869 3.650 10 0 GHAERO COCOc1ccc(OC)cc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000245732908 889550793 /nfs/dbraw/zinc/55/07/93/889550793.db2.gz FKCHJNCQVUZFHB-FUHWJXTLSA-N 1 0 377.506 3.828 10 0 GHAERO CN(C(=O)c1csc([C@H]2CCCO2)n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000245864755 889884029 /nfs/dbraw/zinc/88/40/29/889884029.db2.gz FDELHGZTJPJDLF-IEBWSBKVSA-N 1 0 385.533 3.731 10 0 GHAERO COc1cc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@H]2O)ccc1OCc1ccncc1 ZINC000245963194 890091669 /nfs/dbraw/zinc/09/16/69/890091669.db2.gz YOOGVOCGECGWOP-LYAKXMMSSA-N 1 0 390.483 3.978 10 0 GHAERO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccncc2Br)C1 ZINC000246040275 890225277 /nfs/dbraw/zinc/22/52/77/890225277.db2.gz OVBYHFROOPVQBF-HUUCEWRRSA-N 1 0 380.330 3.571 10 0 GHAERO COc1cccc(/C(C)=C/C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000246344566 891044954 /nfs/dbraw/zinc/04/49/54/891044954.db2.gz FOFWUXNZBIICOR-FTCHERSRSA-N 1 0 379.504 3.520 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)/C=C/c3ccc4ccc(Cl)cc4n3)CC2)CCO1 ZINC000066396233 891109730 /nfs/dbraw/zinc/10/97/30/891109730.db2.gz HVTXQQUAJQUHOA-FYCOFBDGSA-N 1 0 399.922 3.613 10 0 GHAERO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(Cl)s1 ZINC000246407910 891229321 /nfs/dbraw/zinc/22/93/21/891229321.db2.gz RCEGUCKMRUPYIS-OFQRWUPVSA-N 1 0 377.941 3.927 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)C1(Cc2ccccc2)CCC1 ZINC000246630041 891293606 /nfs/dbraw/zinc/29/36/06/891293606.db2.gz SSWLNQVVEKDDRC-DENIHFKCSA-N 1 0 377.532 3.821 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000246678858 891298130 /nfs/dbraw/zinc/29/81/30/891298130.db2.gz QIKDXMGNNBRJQM-HRAATJIYSA-N 1 0 392.503 3.633 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc(F)c(F)c1F ZINC000246844905 891315180 /nfs/dbraw/zinc/31/51/80/891315180.db2.gz DEVNBYFIBNQMOC-SWLSCSKDSA-N 1 0 378.398 3.531 10 0 GHAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2ncc(-c3ccccc3Cl)o2)C1 ZINC000246871018 891318582 /nfs/dbraw/zinc/31/85/82/891318582.db2.gz UQCNLYKBVTXVLO-MAUKXSAKSA-N 1 0 387.911 3.870 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000246919859 891323078 /nfs/dbraw/zinc/32/30/78/891323078.db2.gz HUMJPAQTEZNMEX-KONPQCLYSA-N 1 0 398.473 3.712 10 0 GHAERO C[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccncc1 ZINC000247000565 891330530 /nfs/dbraw/zinc/33/05/30/891330530.db2.gz LOPHPGFSFISALS-NYVOZVTQSA-N 1 0 378.520 3.839 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCc1ccc(Cl)s1 ZINC000247097485 891345208 /nfs/dbraw/zinc/34/52/08/891345208.db2.gz FABBPKUHJGCMLO-WMLDXEAASA-N 1 0 377.941 3.756 10 0 GHAERO C[C@@H]1CN(c2ccc(C[NH2+][C@H]3CC4(CCC4)Oc4ccccc43)cn2)CCO1 ZINC000247164454 891349342 /nfs/dbraw/zinc/34/93/42/891349342.db2.gz UJQNRYTXBFOVEN-XLIONFOSSA-N 1 0 379.504 3.843 10 0 GHAERO COc1cc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc(OC)c1OC ZINC000247147018 891349667 /nfs/dbraw/zinc/34/96/67/891349667.db2.gz SRLDSUPUIXHTNJ-ABSDTBQOSA-N 1 0 399.535 3.669 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000247113582 891371111 /nfs/dbraw/zinc/37/11/11/891371111.db2.gz GAFGGGULUMUSKF-LKRGOLFISA-N 1 0 383.923 3.865 10 0 GHAERO Cc1cccn2c(=O)cc(CNc3cccc4c3C[N@H+]([C@@H](C)C(C)C)C4)nc12 ZINC000075826014 891379957 /nfs/dbraw/zinc/37/99/57/891379957.db2.gz GFHNKJPJUMBUGG-KRWDZBQOSA-N 1 0 376.504 3.975 10 0 GHAERO C[C@@H](c1ccc(F)cc1)N(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247573490 891387182 /nfs/dbraw/zinc/38/71/82/891387182.db2.gz XBRXINSHSVQLAP-LLGFUMIMSA-N 1 0 384.499 3.834 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1CCC[C@H]1c1ccccc1 ZINC000247573934 891387723 /nfs/dbraw/zinc/38/77/23/891387723.db2.gz XESBZJPLHVYBBK-COPCDDAFSA-N 1 0 378.520 3.839 10 0 GHAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(-c4noc(C5CC5)n4)c3)CC[C@H]21 ZINC000248142534 891412799 /nfs/dbraw/zinc/41/27/99/891412799.db2.gz PVAZVBQDPGTGBW-SJLPKXTDSA-N 1 0 381.480 3.562 10 0 GHAERO C[C@H]1C[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000248540739 891425787 /nfs/dbraw/zinc/42/57/87/891425787.db2.gz BMTMDXGQALOLCI-JXFKEZNVSA-N 1 0 376.516 3.872 10 0 GHAERO CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cn1 ZINC000248848039 891475137 /nfs/dbraw/zinc/47/51/37/891475137.db2.gz NRFJLUKCEILLTE-LJQANCHMSA-N 1 0 382.556 3.624 10 0 GHAERO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccc(OC3COC3)cc2)C1 ZINC000249285202 891484830 /nfs/dbraw/zinc/48/48/30/891484830.db2.gz PBPFXZVWXFHWOC-QZTJIDSGSA-N 1 0 387.524 3.583 10 0 GHAERO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000249690666 891516067 /nfs/dbraw/zinc/51/60/67/891516067.db2.gz RHIOENMPMPKEDK-RBUKOAKNSA-N 1 0 387.568 3.631 10 0 GHAERO CCc1ccc(C(=O)Nc2sccc2C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000252443732 892368145 /nfs/dbraw/zinc/36/81/45/892368145.db2.gz NWJZEQNNVWNWSP-CRAIPNDOSA-N 1 0 397.544 3.872 10 0 GHAERO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000333131875 899986765 /nfs/dbraw/zinc/98/67/65/899986765.db2.gz JRBODLCDYPSMHW-HZPDHXFCSA-N 1 0 389.393 3.595 10 0 GHAERO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000333131873 899987004 /nfs/dbraw/zinc/98/70/04/899987004.db2.gz JRBODLCDYPSMHW-HOTGVXAUSA-N 1 0 389.393 3.595 10 0 GHAERO [NH3+][C@@H]1CN(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)C[C@H]1c1ccccc1 ZINC000333166233 900007411 /nfs/dbraw/zinc/00/74/11/900007411.db2.gz HKYLHKJVXJFIRA-HBMCJLEFSA-N 1 0 391.515 3.959 10 0 GHAERO Cc1c(NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cnn1-c1cc(C)ccc1C ZINC000333227374 900050197 /nfs/dbraw/zinc/05/01/97/900050197.db2.gz XRDPLHUJCIAUOD-IBGZPJMESA-N 1 0 381.524 3.793 10 0 GHAERO Cc1ccccc1C1(C(=O)N(C)C2CC[NH+](C3CCOCC3)CC2)CCCC1 ZINC000365815745 921183617 /nfs/dbraw/zinc/18/36/17/921183617.db2.gz XGSDIMYSUNSECK-UHFFFAOYSA-N 1 0 384.564 3.909 10 0 GHAERO Cc1ccc(CCC(=O)N2CCC([NH+]3CCCC3)CC2)c(Br)c1 ZINC000185033748 1014575163 /nfs/dbraw/zinc/57/51/63/1014575163.db2.gz BKYPZULGLPZTAQ-UHFFFAOYSA-N 1 0 379.342 3.777 10 0 GHAERO C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(c3c(cc1O)C(=[NH2+])NC3)O2 ZINC000252516947 212134478 /nfs/dbraw/zinc/13/44/78/212134478.db2.gz YFEDMPPDOYSQSZ-WFBUDIMJSA-N 1 0 384.520 3.728 10 0 GHAERO CCc1ccc(C[NH+]2CCC(n3nccc3NC(=O)c3cccnc3)CC2)cc1 ZINC000011815436 221127977 /nfs/dbraw/zinc/12/79/77/221127977.db2.gz OHTXGZIVSPDVOV-UHFFFAOYSA-N 1 0 389.503 3.930 10 0 GHAERO CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)c1noc2c1CCCC2 ZINC000012748725 221224547 /nfs/dbraw/zinc/22/45/47/221224547.db2.gz LRBROABRIJMDDY-UHFFFAOYSA-N 1 0 399.510 3.719 10 0 GHAERO OCC[NH2+]CCCNCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000013732974 221285148 /nfs/dbraw/zinc/28/51/48/221285148.db2.gz GWDQSQVAIHBTAD-UHFFFAOYSA-N 1 0 383.319 3.634 10 0 GHAERO O=C1N(Cc2cccc(F)c2F)CCC[C@]12CC[N@@H+](C1CCSCC1)C2 ZINC000014966375 221321735 /nfs/dbraw/zinc/32/17/35/221321735.db2.gz ACESQNQPLFEHDJ-HXUWFJFHSA-N 1 0 380.504 3.675 10 0 GHAERO CC(C)(C)OC(=O)N1CCCC[C@H]1C[NH2+]Cc1cnc(Cl)nc1Cl ZINC000095086531 222331054 /nfs/dbraw/zinc/33/10/54/222331054.db2.gz QJASWWWUXRMTAT-LBPRGKRZSA-N 1 0 375.300 3.663 10 0 GHAERO CCCOc1ccc2ccccc2c1C[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000020930662 570285344 /nfs/dbraw/zinc/28/53/44/570285344.db2.gz VKJLRJZXOBZJJI-UHFFFAOYSA-N 1 0 398.528 3.608 10 0 GHAERO CCCOc1c(Br)cc(Br)cc1CNCCC[NH2+]C ZINC000020967882 570285601 /nfs/dbraw/zinc/28/56/01/570285601.db2.gz PJFNXKUDRYOFQH-UHFFFAOYSA-N 1 0 394.151 3.700 10 0 GHAERO CC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000034682907 570300482 /nfs/dbraw/zinc/30/04/82/570300482.db2.gz MNDTZDYFDBTDGS-UHFFFAOYSA-N 1 0 380.488 3.784 10 0 GHAERO COc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)COC(C)C)cc1OC ZINC000036095995 570535636 /nfs/dbraw/zinc/53/56/36/570535636.db2.gz BNROWUHFXNCFDW-FQEVSTJZSA-N 1 0 391.483 3.631 10 0 GHAERO COc1ccc(-c2cn3c4ccc(C(=O)NCC[NH+](C)C)cc4sc3n2)cc1 ZINC000006748694 570567222 /nfs/dbraw/zinc/56/72/22/570567222.db2.gz JEBWABPLDXUMPO-UHFFFAOYSA-N 1 0 394.500 3.516 10 0 GHAERO CCC(C)(C)C1CCC(n2nnc(C[NH3+])c2I)CC1 ZINC000675051761 570898221 /nfs/dbraw/zinc/89/82/21/570898221.db2.gz SRVSNJHZLFCYFA-UHFFFAOYSA-N 1 0 376.286 3.509 10 0 GHAERO Cc1cc(N(C)C)cc(C)c1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000156777510 834550443 /nfs/dbraw/zinc/55/04/43/834550443.db2.gz SCGQBGQZEUQXQA-GHTZIAJQSA-N 1 0 395.551 3.797 10 0 GHAERO Cc1ccc(N2CCC(NC(=O)c3cc(C4CC4)n(C(C)(C)C)n3)CC2)nc1 ZINC000157823611 835112023 /nfs/dbraw/zinc/11/20/23/835112023.db2.gz UFJWKMLDEXEEJD-UHFFFAOYSA-N 1 0 381.524 3.618 10 0 GHAERO C[C@H](c1nnc(-c2cccs2)o1)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000328742741 839722653 /nfs/dbraw/zinc/72/26/53/839722653.db2.gz JRIWUMQQCMVLJF-BZUAXINKSA-N 1 0 390.553 3.680 10 0 GHAERO C[C@@H]1CC[C@@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2c2cnn(C)c2)[C@@H](C)C1 ZINC000332795200 844555514 /nfs/dbraw/zinc/55/55/14/844555514.db2.gz LZPLUNYVDUHRDI-HLSZOSTASA-N 1 0 394.563 3.577 10 0 GHAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000106208064 840761283 /nfs/dbraw/zinc/76/12/83/840761283.db2.gz YGODEKVHMBNXTO-NHCUHLMSSA-N 1 0 380.536 3.758 10 0 GHAERO CC(C)c1cc(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)c2cnn(C(C)C)c2n1 ZINC000408184451 841980658 /nfs/dbraw/zinc/98/06/58/841980658.db2.gz YBORBHRJJNPUIK-IRXDYDNUSA-N 1 0 383.540 3.834 10 0 GHAERO Cc1sc2ncnc(N(C)C[C@@H]3CCC[N@H+](C)[C@H]3c3ccnn3C)c2c1C ZINC000328966799 843248076 /nfs/dbraw/zinc/24/80/76/843248076.db2.gz STISZLIIKIJGLK-MAUKXSAKSA-N 1 0 384.553 3.561 10 0 GHAERO O=C(Nc1ccc(N2CCCC2)c(Cl)c1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000151595865 845282285 /nfs/dbraw/zinc/28/22/85/845282285.db2.gz TXJCEHFVHAZBQM-LJQANCHMSA-N 1 0 377.916 3.522 10 0 GHAERO CC(C)c1nnc([C@@H]2CCCCN2C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)[nH]1 ZINC000329536618 861608672 /nfs/dbraw/zinc/60/86/72/861608672.db2.gz BECMTELBAYRLTM-RLLQIKCJSA-N 1 0 395.551 3.750 10 0 GHAERO O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000238074747 848943658 /nfs/dbraw/zinc/94/36/58/848943658.db2.gz GBYNEYZYYVAJQK-PXNBVRNISA-N 1 0 396.556 3.995 10 0 GHAERO COC(=O)[C@@H](NC1CC[NH+](Cc2cccnc2)CC1)c1ccc2ccccc2c1 ZINC000154646703 849352863 /nfs/dbraw/zinc/35/28/63/849352863.db2.gz ZINWVYJJOQERAV-QHCPKHFHSA-N 1 0 389.499 3.703 10 0 GHAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 ZINC000329746438 862287244 /nfs/dbraw/zinc/28/72/44/862287244.db2.gz YUUYBGYTPLKQGK-MAUKXSAKSA-N 1 0 382.508 3.634 10 0 GHAERO CC(C)[N@H+](C)CCNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 ZINC000101953960 852070226 /nfs/dbraw/zinc/07/02/26/852070226.db2.gz FQGPUDQTRUZLNE-UHFFFAOYSA-N 1 0 394.441 3.839 10 0 GHAERO C[C@@H]1CC([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(-c3ccc(F)cc3)c2)C[C@@H](C)C1 ZINC000330149708 862616025 /nfs/dbraw/zinc/61/60/25/862616025.db2.gz VGUFYKQTJFFGMP-CFLDLGCGSA-N 1 0 398.526 3.945 10 0 GHAERO Fc1ccc2c(c1)[C@H]([N@@H+]1C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C1)CC2 ZINC000330180797 862642100 /nfs/dbraw/zinc/64/21/00/862642100.db2.gz NNNFLMIPOIQZTC-YIFZBPKDSA-N 1 0 391.450 3.707 10 0 GHAERO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000246975206 855347061 /nfs/dbraw/zinc/34/70/61/855347061.db2.gz JSGLULVOGQHMEA-CKUXNOBLSA-N 1 0 399.579 3.898 10 0 GHAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCc3ncc(C(F)(F)F)cc31)CC2 ZINC000330309130 862825392 /nfs/dbraw/zinc/82/53/92/862825392.db2.gz MRVRRROIHIHSNH-XJKSGUPXSA-N 1 0 379.430 3.797 10 0 GHAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000103285807 863939543 /nfs/dbraw/zinc/93/95/43/863939543.db2.gz ZWIDGHALHOPFSR-NVXWUHKLSA-N 1 0 396.922 3.824 10 0 GHAERO COc1ccc(-c2nc(C[N@@H+]3CC[C@]4(O)CCCC[C@@H]4C3)cs2)cc1OC ZINC000178123239 864532884 /nfs/dbraw/zinc/53/28/84/864532884.db2.gz GDOYSBNQSAVVFQ-IIBYNOLFSA-N 1 0 388.533 3.954 10 0 GHAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000268811663 867814285 /nfs/dbraw/zinc/81/42/85/867814285.db2.gz OMIKVWIFAKWQNQ-NPPFBWRTSA-N 1 0 386.561 3.651 10 0 GHAERO C[C@@H](c1ccc(F)cc1)N(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000172194833 882175915 /nfs/dbraw/zinc/17/59/15/882175915.db2.gz XBRXINSHSVQLAP-WWMYMODYSA-N 1 0 384.499 3.834 10 0 GHAERO CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000172193631 882176157 /nfs/dbraw/zinc/17/61/57/882176157.db2.gz CFCYZARPFAYZHV-SIKLNZKXSA-N 1 0 380.536 3.566 10 0 GHAERO Cn1nc(-c2ccccc2)c(C[NH+]2CCC(N3CCCCC3=O)CC2)c1Cl ZINC000093741784 882602548 /nfs/dbraw/zinc/60/25/48/882602548.db2.gz YIBABVXNJUERNG-UHFFFAOYSA-N 1 0 386.927 3.717 10 0 GHAERO CC(C)Oc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000116486378 873514274 /nfs/dbraw/zinc/51/42/74/873514274.db2.gz WBSVZMGZXMQEDM-UTKZUKDTSA-N 1 0 382.508 3.901 10 0 GHAERO CCOc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(C)c1 ZINC000116488802 873515662 /nfs/dbraw/zinc/51/56/62/873515662.db2.gz NXOCGEPHAPESDW-LAUBAEHRSA-N 1 0 382.508 3.821 10 0 GHAERO Cc1c([C@@H](C)Nc2ccc(OC3CC[NH+](C)CC3)nc2)cnn1-c1ccccn1 ZINC000179744959 883024218 /nfs/dbraw/zinc/02/42/18/883024218.db2.gz XNCIQUUELCUUOJ-MRXNPFEDSA-N 1 0 392.507 3.617 10 0 GHAERO COc1cc(C[NH+]2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)ccc1O ZINC000180085630 883049476 /nfs/dbraw/zinc/04/94/76/883049476.db2.gz LSTQRDZZFISUML-UHFFFAOYSA-N 1 0 394.515 3.804 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C1(c2ccc(F)cc2F)CCC1 ZINC000180419193 883058545 /nfs/dbraw/zinc/05/85/45/883058545.db2.gz PNVIQGSDPAGYMO-IERDGZPVSA-N 1 0 399.485 3.808 10 0 GHAERO O=C(c1cc(OC(F)F)cc(OC(F)F)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000180297160 883073655 /nfs/dbraw/zinc/07/36/55/883073655.db2.gz FXOYASPDCNWZIH-UHFFFAOYSA-N 1 0 390.377 3.590 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(F)c(Cl)cc1F ZINC000122179969 878417229 /nfs/dbraw/zinc/41/72/29/878417229.db2.gz SHTZUFPJURBSJI-XIKOKIGWSA-N 1 0 379.838 3.654 10 0 GHAERO C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182367814 883217987 /nfs/dbraw/zinc/21/79/87/883217987.db2.gz YIJCOVKNJSHYDB-KSFYIVLOSA-N 1 0 379.504 3.720 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(CN2CCCCC2=O)c1 ZINC000182818744 883221388 /nfs/dbraw/zinc/22/13/88/883221388.db2.gz RPMVQYMGMLDFAH-CVDCTZTESA-N 1 0 392.547 3.917 10 0 GHAERO O=C(Nc1ccccc1C(=O)N1CCC[N@@H+](C2CC2)CC1)OCc1ccccc1 ZINC000182929510 883250192 /nfs/dbraw/zinc/25/01/92/883250192.db2.gz CWJJCXBAUWMGQT-UHFFFAOYSA-N 1 0 393.487 3.746 10 0 GHAERO [NH3+]CCOc1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1 ZINC000183247994 883274320 /nfs/dbraw/zinc/27/43/20/883274320.db2.gz BNDYKIBMPDMHFM-UHFFFAOYSA-N 1 0 387.386 3.529 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(CCc3ccccc3)C2)c2ccc(F)cc2C1 ZINC000184514284 883350958 /nfs/dbraw/zinc/35/09/58/883350958.db2.gz FDBQVAYLLLBNIP-VWNXMTODSA-N 1 0 395.522 3.526 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)CC(=O)N(C)c2ccccc2)c2ccc(F)cc2C1 ZINC000184519984 883351724 /nfs/dbraw/zinc/35/17/24/883351724.db2.gz PGGGXKHYSCPJPO-ZHRRBRCNSA-N 1 0 397.494 3.650 10 0 GHAERO O=S1(=O)CC[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)c2ccccc21 ZINC000186305396 883631079 /nfs/dbraw/zinc/63/10/79/883631079.db2.gz MTDRYOAEJMDVLI-FZKQIMNGSA-N 1 0 394.899 3.566 10 0 GHAERO C[NH+](C)Cc1cccc(CNC(=O)N2CC3(CCOCC3)c3ccccc32)c1 ZINC000191096615 884152778 /nfs/dbraw/zinc/15/27/78/884152778.db2.gz NRECYIGSLZIMFX-UHFFFAOYSA-N 1 0 379.504 3.526 10 0 GHAERO Cc1cccc(N2CCC([NH2+]C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC2)n1 ZINC000191098002 884152895 /nfs/dbraw/zinc/15/28/95/884152895.db2.gz BYOJUBXDIOPKRU-QFIPXVFZSA-N 1 0 388.556 3.596 10 0 GHAERO COCc1ccc(NC(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000192516691 884277020 /nfs/dbraw/zinc/27/70/20/884277020.db2.gz QAXIAHGIDXJUFW-QZTJIDSGSA-N 1 0 389.540 3.576 10 0 GHAERO CC[NH+](CC)Cc1ccc(C(=O)N2CCCN(c3nc(C)cs3)CC2)cc1 ZINC000108856321 886088185 /nfs/dbraw/zinc/08/81/85/886088185.db2.gz STKGWYZKDRYPRV-UHFFFAOYSA-N 1 0 386.565 3.646 10 0 GHAERO COc1ccccc1C[C@H](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000116244189 886358717 /nfs/dbraw/zinc/35/87/17/886358717.db2.gz XNZMSTVUJYPVKR-JQVVWYNYSA-N 1 0 395.547 3.686 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc2nc(Cl)ccc2c1 ZINC000116467567 886361605 /nfs/dbraw/zinc/36/16/05/886361605.db2.gz BSHDQBMYFYTEFS-BEFAXECRSA-N 1 0 394.906 3.924 10 0 GHAERO Cc1ccc(NC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1C(F)(F)F ZINC000124512091 886760099 /nfs/dbraw/zinc/76/00/99/886760099.db2.gz RDPLNCJTDXGGFL-CQSZACIVSA-N 1 0 385.430 3.731 10 0 GHAERO Cc1ccc(NC(=O)N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)cc1C(F)(F)F ZINC000125471057 886868720 /nfs/dbraw/zinc/86/87/20/886868720.db2.gz LKTHOJZRTXPDDX-QGZVFWFLSA-N 1 0 398.473 3.648 10 0 GHAERO COc1cc(F)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000133425402 887763781 /nfs/dbraw/zinc/76/37/81/887763781.db2.gz AUICGKPFTVUKTQ-RDJZCZTQSA-N 1 0 386.467 3.626 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cncc(-c2ccccc2)c1 ZINC000135617961 888252523 /nfs/dbraw/zinc/25/25/23/888252523.db2.gz RGCKNMYPWSQMIF-MBSDFSHPSA-N 1 0 386.499 3.784 10 0 GHAERO CN1CC[NH+]([C@H]2CCCCN(Cc3coc(-c4cccc(Cl)c4)n3)C2)CC1 ZINC000136065048 888273605 /nfs/dbraw/zinc/27/36/05/888273605.db2.gz HINUPOWDMZFZGD-FQEVSTJZSA-N 1 0 388.943 3.597 10 0 GHAERO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245623851 889083909 /nfs/dbraw/zinc/08/39/09/889083909.db2.gz OKRGZQJIYGFYPN-GTCCEBARSA-N 1 0 391.515 3.642 10 0 GHAERO C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2Br)C[C@H]1n1ccnc1 ZINC000245753776 889642548 /nfs/dbraw/zinc/64/25/48/889642548.db2.gz ZERKGXALNXQEQX-WMLDXEAASA-N 1 0 391.313 3.557 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1csc([C@H]2CCCO2)n1 ZINC000245940085 890083409 /nfs/dbraw/zinc/08/34/09/890083409.db2.gz SRKYTODXJHRJNK-QFBILLFUSA-N 1 0 385.533 3.731 10 0 GHAERO COc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)ccc1OCc1c(C)noc1C ZINC000246234689 890792128 /nfs/dbraw/zinc/79/21/28/890792128.db2.gz WYUZATNJYUZYDT-ZPMCFJSWSA-N 1 0 398.503 3.926 10 0 GHAERO CC[C@H](NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1)c1cccs1 ZINC000066187248 890912491 /nfs/dbraw/zinc/91/24/91/890912491.db2.gz AWWZIZHAWLRFAL-IBGZPJMESA-N 1 0 386.565 3.943 10 0 GHAERO CCc1cnc(CN(C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000246587266 891288183 /nfs/dbraw/zinc/28/81/83/891288183.db2.gz UUDPKQUDRXLOIW-WMZOPIPTSA-N 1 0 386.565 3.900 10 0 GHAERO CCN(CCc1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246825244 891311634 /nfs/dbraw/zinc/31/16/34/891311634.db2.gz CFCYZARPFAYZHV-KNQAVFIVSA-N 1 0 380.536 3.566 10 0 GHAERO CCCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246866794 891317358 /nfs/dbraw/zinc/31/73/58/891317358.db2.gz FEUJMNDZCFICDD-KNQAVFIVSA-N 1 0 380.536 3.914 10 0 GHAERO CCN(C(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1nc2ccccc2s1 ZINC000246869555 891319300 /nfs/dbraw/zinc/31/93/00/891319300.db2.gz PZCWIUMRSUEBRL-QFBILLFUSA-N 1 0 398.576 3.598 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000246919825 891323632 /nfs/dbraw/zinc/32/36/32/891323632.db2.gz HUMJPAQTEZNMEX-CVYDXHPNSA-N 1 0 398.473 3.712 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(C)[C@H]1CCc2ccccc21 ZINC000246993386 891330025 /nfs/dbraw/zinc/33/00/25/891330025.db2.gz LMLRFHJXYQOZLF-WTNAPCKOSA-N 1 0 378.520 3.621 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)COc1ccc2ccccc2c1 ZINC000247063266 891339898 /nfs/dbraw/zinc/33/98/98/891339898.db2.gz BRBVMLPYTZJIIA-FDDCHVKYSA-N 1 0 389.499 3.640 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccccc1C(F)(F)F ZINC000247062758 891340424 /nfs/dbraw/zinc/34/04/24/891340424.db2.gz BOYLCARURLZAIA-RDTXWAMCSA-N 1 0 377.410 3.741 10 0 GHAERO Cc1[nH]c2c(cccc2C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1C ZINC000247074672 891341139 /nfs/dbraw/zinc/34/11/39/891341139.db2.gz CPIUIIVIIKGTAE-VFNWGFHPSA-N 1 0 376.504 3.820 10 0 GHAERO CSc1ccc(O[C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000247106302 891345007 /nfs/dbraw/zinc/34/50/07/891345007.db2.gz VLNVSQCKJKPMHF-CBGDNZLLSA-N 1 0 399.560 3.598 10 0 GHAERO C[C@H](O)c1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000247325959 891366361 /nfs/dbraw/zinc/36/63/61/891366361.db2.gz IQZSJAHUTLTWHD-SELNLUPBSA-N 1 0 395.547 3.934 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000247339718 891369173 /nfs/dbraw/zinc/36/91/73/891369173.db2.gz ZFDMTIQGYBWNJP-RDTXWAMCSA-N 1 0 377.410 3.741 10 0 GHAERO CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)cc1)C(C)C ZINC000247546128 891383508 /nfs/dbraw/zinc/38/35/08/891383508.db2.gz QNCFPHRUSWKYHS-CTNGQTDRSA-N 1 0 376.566 3.701 10 0 GHAERO COCc1c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)sc2cccc(F)c21 ZINC000248130198 891411114 /nfs/dbraw/zinc/41/11/14/891411114.db2.gz OJEHHKKWCZPHHH-XJKSGUPXSA-N 1 0 376.497 3.743 10 0 GHAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(NC(=O)c4cccs4)c3)CC[C@H]21 ZINC000248182079 891415396 /nfs/dbraw/zinc/41/53/96/891415396.db2.gz WPBLYDFAOLXEFI-CRAIPNDOSA-N 1 0 398.532 3.948 10 0 GHAERO O[C@H](C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1)c1ccc(F)cc1Cl ZINC000248427443 891434235 /nfs/dbraw/zinc/43/42/35/891434235.db2.gz PIDWWSSZDDQPRO-RDTXWAMCSA-N 1 0 392.906 3.710 10 0 GHAERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3csc(-c4ccc(F)c(F)c4)n3)CC[C@H]21 ZINC000248624230 891446290 /nfs/dbraw/zinc/44/62/90/891446290.db2.gz YQSLAPHTZVGQQU-SUMWQHHRSA-N 1 0 377.460 3.645 10 0 GHAERO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000248725084 891461627 /nfs/dbraw/zinc/46/16/27/891461627.db2.gz MYPKZODXDDIWNV-DYESRHJHSA-N 1 0 381.520 3.727 10 0 GHAERO COc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(OC(C)C)c1 ZINC000248864682 891475904 /nfs/dbraw/zinc/47/59/04/891475904.db2.gz BSHUIEAETYNOND-DYESRHJHSA-N 1 0 397.519 3.518 10 0 GHAERO CCn1cnnc1-c1ccccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000249072152 891492357 /nfs/dbraw/zinc/49/23/57/891492357.db2.gz RFVOHHRNXXQBQC-UXHICEINSA-N 1 0 390.491 3.532 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000249294939 891513484 /nfs/dbraw/zinc/51/34/84/891513484.db2.gz KEEYVIZLLIVADE-CZUORRHYSA-N 1 0 393.413 3.528 10 0 GHAERO Cc1nc([C@@H]2CCCN2C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cs1 ZINC000251950708 891665009 /nfs/dbraw/zinc/66/50/09/891665009.db2.gz VAMUQZCNILISCM-QOKNQOGYSA-N 1 0 376.570 3.951 10 0 GHAERO C[N@@H+]1CCC[C@@H]2CN(Cc3nc(=O)c4c(-c5ccccc5)csc4[nH]3)CC[C@H]21 ZINC000253553670 891880155 /nfs/dbraw/zinc/88/01/55/891880155.db2.gz GWEUAEZOZAHIRB-SJLPKXTDSA-N 1 0 394.544 3.980 10 0 GHAERO COc1ccc(OC)c([C@H](C)NCC(=O)Nc2ccccc2OC(F)F)c1 ZINC000102695729 898023569 /nfs/dbraw/zinc/02/35/69/898023569.db2.gz OWMIHTJPZPFGNU-LBPRGKRZSA-N 1 0 380.391 3.595 10 0 GHAERO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2F)CC1 ZINC000333200142 900031550 /nfs/dbraw/zinc/03/15/50/900031550.db2.gz XMDYMPBMUGBILC-GDBMZVCRSA-N 1 0 389.393 3.595 10 0 GHAERO CN(C(=O)Nc1nc2c(cccc2Br)s1)[C@@H]1CCC[NH2+]CC1 ZINC000333320504 902005656 /nfs/dbraw/zinc/00/56/56/902005656.db2.gz MYNMOERTJRHYEL-SNVBAGLBSA-N 1 0 383.315 3.665 10 0 GHAERO O=C(Nc1nc2c(cccc2Br)s1)N1CCC2(CC[NH2+]C2)CC1 ZINC000333405158 902066483 /nfs/dbraw/zinc/06/64/83/902066483.db2.gz ZEJLRWJPZZNDJT-UHFFFAOYSA-N 1 0 395.326 3.666 10 0 GHAERO CC(C)C1CCC(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)CC1 ZINC000333404732 902067149 /nfs/dbraw/zinc/06/71/49/902067149.db2.gz FWSORPPHTKZRFV-USXQIBFBSA-N 1 0 389.588 3.659 10 0 GHAERO CN1C(=O)C[C@@H](C[NH2+][C@@H]2CCC23CCCC3)[C@@H]1c1cnn(-c2ccc(F)cc2)c1 ZINC000333453660 902102176 /nfs/dbraw/zinc/10/21/76/902102176.db2.gz MGWZGIOBINSNGN-SAWYMBPVSA-N 1 0 396.510 3.843 10 0 GHAERO [NH3+][C@@H]1CCCO[C@H]1C1CCN(c2ccnc3c(Br)cccc23)CC1 ZINC000333645858 902243005 /nfs/dbraw/zinc/24/30/05/902243005.db2.gz IYQUMQYWYNBPHS-APWZRJJASA-N 1 0 390.325 3.720 10 0 GHAERO O=C([C@H]1CC12CC[NH+](Cc1ccc(OC(F)(F)F)cc1)CC2)N1CCCC1 ZINC000362342559 917221659 /nfs/dbraw/zinc/22/16/59/917221659.db2.gz QXZFKAHJEXOEIG-QGZVFWFLSA-N 1 0 382.426 3.810 10 0 GHAERO Cc1cc(N[C@@H](C)C[NH+](C)C)nc(NC(=N)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000016955262 212149589 /nfs/dbraw/zinc/14/95/89/212149589.db2.gz UQSICRIQSJCNHK-NSHDSACASA-N 1 0 396.326 3.913 10 0 GHAERO COc1ccc([C@@H](CNC(=O)Cc2c(C)nc3ccccc3c2C)[NH+](C)C)cc1 ZINC000009378944 221079256 /nfs/dbraw/zinc/07/92/56/221079256.db2.gz QRKBOSOMAAEWRD-HSZRJFAPSA-N 1 0 391.515 3.822 10 0 GHAERO COc1ccc2c(C)nc(N3CCC([NH2+]Cc4cccc(F)c4F)CC3)nc2c1 ZINC000014955677 221320291 /nfs/dbraw/zinc/32/02/91/221320291.db2.gz SWUYTXBWTVMTRL-UHFFFAOYSA-N 1 0 398.457 3.984 10 0 GHAERO CN(C)C(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCC[NH3+])c1ccccc1 ZINC000034604066 221800317 /nfs/dbraw/zinc/80/03/17/221800317.db2.gz OHLDJJXRTLZQSU-NRFANRHFSA-N 1 0 386.446 3.691 10 0 GHAERO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[NH2+]Cc1ccncc1C ZINC000055254127 222019019 /nfs/dbraw/zinc/01/90/19/222019019.db2.gz PRAUYDOGNWHDEI-UHFFFAOYSA-N 1 0 391.519 3.652 10 0 GHAERO [NH3+][C@H]1CCN(c2cc(-c3ccncc3)nc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000073684056 527411609 /nfs/dbraw/zinc/41/16/09/527411609.db2.gz HYYRCTQOSDZTNB-INIZCTEOSA-N 1 0 385.393 3.762 10 0 GHAERO COCCCNC(=O)[C@H](C[N@H+](Cc1cccc(C)c1)C(C)C)Oc1ccccc1 ZINC000034708080 570302129 /nfs/dbraw/zinc/30/21/29/570302129.db2.gz ACERADFLOWLNHJ-QHCPKHFHSA-N 1 0 398.547 3.806 10 0 GHAERO Brc1ccc(C[NH2+][C@H]2COC[C@@H]2C2CC2)cc1Br ZINC000725269614 570327404 /nfs/dbraw/zinc/32/74/04/570327404.db2.gz NSVYXDNXXKWZJL-RISCZKNCSA-N 1 0 375.104 3.726 10 0 GHAERO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)c3n[nH]c4ccc(Cl)cc43)C1)CCCC2 ZINC000329480409 835109520 /nfs/dbraw/zinc/10/95/20/835109520.db2.gz CYSSMZUFWHXZSZ-CQSZACIVSA-N 1 0 383.883 3.687 10 0 GHAERO Cc1ccc([C@@H]2CN(CCC(=O)Nc3ccccc3Br)CCO2)o1 ZINC000159184765 835750682 /nfs/dbraw/zinc/75/06/82/835750682.db2.gz HEFNAFQCBSLBLH-KRWDZBQOSA-N 1 0 393.281 3.753 10 0 GHAERO C[C@H](c1nc(-c2cccs2)no1)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000328752915 840253704 /nfs/dbraw/zinc/25/37/04/840253704.db2.gz NMRJNELWQURJSC-BZUAXINKSA-N 1 0 390.553 3.680 10 0 GHAERO Cc1cccnc1/C=C\C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000588455493 843356379 /nfs/dbraw/zinc/35/63/79/843356379.db2.gz PIVMTZGLPQSHGF-GIFJBRJJSA-N 1 0 389.421 3.813 10 0 GHAERO Cc1ccc(N2CCC([NH2+]CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)nc1 ZINC000150828011 845030739 /nfs/dbraw/zinc/03/07/39/845030739.db2.gz AKGCUYSDQXNOFI-UHFFFAOYSA-N 1 0 388.556 3.596 10 0 GHAERO Cn1cncc1[C@@H]1C[C@@H](NC(=O)NC2CC(c3cccc(Cl)c3)C2)CCO1 ZINC000333464045 845404721 /nfs/dbraw/zinc/40/47/21/845404721.db2.gz QBSPYWMTEHLEFG-DRWNQKMKSA-N 1 0 388.899 3.539 10 0 GHAERO O=C(Nc1ccc(OCC2CCOCC2)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000151772660 845709337 /nfs/dbraw/zinc/70/93/37/845709337.db2.gz USLYIWVWPZBEQD-UHFFFAOYSA-N 1 0 387.524 3.584 10 0 GHAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000329608117 861758426 /nfs/dbraw/zinc/75/84/26/861758426.db2.gz BNWDVXUHNUNWRY-UTKZUKDTSA-N 1 0 377.488 3.638 10 0 GHAERO Cn1nc(C(F)F)c2cc(-c3nc([C@@H]4C[N@@H+]5CCC[C@]5(C)CO4)no3)sc21 ZINC000329646453 861895591 /nfs/dbraw/zinc/89/55/91/861895591.db2.gz BBQXAGWSSLABTR-DYZYQPBXSA-N 1 0 395.435 3.548 10 0 GHAERO COc1ccc([C@H](C)NC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)cc1F ZINC000101621464 851743057 /nfs/dbraw/zinc/74/30/57/851743057.db2.gz NUKUMOCWUFYVNQ-YJBOKZPZSA-N 1 0 389.471 3.933 10 0 GHAERO O[C@H](CO[C@@H]1CCCc2ccccc21)C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000329812112 862338657 /nfs/dbraw/zinc/33/86/57/862338657.db2.gz NAMUPCBCKWLZBB-JGSPDANKSA-N 1 0 387.564 3.847 10 0 GHAERO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000329836614 862360790 /nfs/dbraw/zinc/36/07/90/862360790.db2.gz MNVGWKUTCDOCEY-WBHUJUFNSA-N 1 0 380.414 3.579 10 0 GHAERO C[C@]12CCC[N@@H+]1C[C@H](c1noc(-c3cccc(F)c3Br)n1)OC2 ZINC000328825821 854552857 /nfs/dbraw/zinc/55/28/57/854552857.db2.gz HRWJOULCXRDBMR-MLGOLLRUSA-N 1 0 382.233 3.564 10 0 GHAERO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000051056374 854688780 /nfs/dbraw/zinc/68/87/80/854688780.db2.gz TTXMGMCCQQDQOA-CABCVRRESA-N 1 0 380.916 3.723 10 0 GHAERO Cc1noc(C)c1[C@@H](C)CC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000157783204 854877110 /nfs/dbraw/zinc/87/71/10/854877110.db2.gz DDGOHMPLARCRIA-YESZJQIVSA-N 1 0 391.556 3.523 10 0 GHAERO CCn1cc(C2CCN(C(=O)NCC(C)(C)[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)cn1 ZINC000157476338 858398058 /nfs/dbraw/zinc/39/80/58/858398058.db2.gz XOCAJXWDYQDOHU-ROUUACIJSA-N 1 0 389.588 3.549 10 0 GHAERO CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000328986500 858867341 /nfs/dbraw/zinc/86/73/41/858867341.db2.gz ZZUBIURHYYDGES-UYAOXDASSA-N 1 0 390.572 3.512 10 0 GHAERO CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@@H]2c2cnn(C)c2)c2ccccc2)CC1 ZINC000171464531 860425545 /nfs/dbraw/zinc/42/55/45/860425545.db2.gz KCXZJXLOFYETCW-FGZHOGPDSA-N 1 0 395.551 3.740 10 0 GHAERO CC1CC[NH+]([C@@H](CNC(=O)N2CCC[C@H]2c2cnn(C)c2)c2ccccc2)CC1 ZINC000171464535 860425765 /nfs/dbraw/zinc/42/57/65/860425765.db2.gz KCXZJXLOFYETCW-VXKWHMMOSA-N 1 0 395.551 3.740 10 0 GHAERO CN(CCc1ccc(F)cc1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000103184539 863905158 /nfs/dbraw/zinc/90/51/58/863905158.db2.gz DDYCTWRABGXGFH-NRFANRHFSA-N 1 0 383.511 3.574 10 0 GHAERO COc1ccccc1CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000104710089 864553564 /nfs/dbraw/zinc/55/35/64/864553564.db2.gz DDRYFJMBJCAOSQ-CQSZACIVSA-N 1 0 378.419 3.798 10 0 GHAERO FC(F)(F)c1cc(N2CCC([NH+]3CCCC3)CC2)nc(-c2ccncc2)n1 ZINC000301343862 865299360 /nfs/dbraw/zinc/29/93/60/865299360.db2.gz GPLHXHCFNGLAGG-UHFFFAOYSA-N 1 0 377.414 3.622 10 0 GHAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)c3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000173276080 882344612 /nfs/dbraw/zinc/34/46/12/882344612.db2.gz SHDMIPZRDVMRRX-HSZRJFAPSA-N 1 0 377.532 3.596 10 0 GHAERO O=C(Nc1cccc(F)c1)c1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000105009496 870608645 /nfs/dbraw/zinc/60/86/45/870608645.db2.gz UREKXJYEHXXQQJ-FQEVSTJZSA-N 1 0 396.466 3.780 10 0 GHAERO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000106787152 870619859 /nfs/dbraw/zinc/61/98/59/870619859.db2.gz GLFIMYBWGNMKNC-AWEZNQCLSA-N 1 0 392.425 3.638 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3cccc(CC(F)(F)F)c3)CC2)CCO1 ZINC000174317357 882450652 /nfs/dbraw/zinc/45/06/52/882450652.db2.gz UXUPVRXTGXGLOM-AWEZNQCLSA-N 1 0 385.430 3.508 10 0 GHAERO COc1ccc(SCCC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000116245125 873367078 /nfs/dbraw/zinc/36/70/78/873367078.db2.gz IMSYVRWXJZKMKK-UWJYYQICSA-N 1 0 399.560 3.599 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccccc1N1CCCC1 ZINC000116478340 873513050 /nfs/dbraw/zinc/51/30/50/873513050.db2.gz CKEGPEJMLGBRDQ-ICSRJNTNSA-N 1 0 393.535 3.714 10 0 GHAERO c1ncn(-c2ncccc2C[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)n1 ZINC000178049827 882860072 /nfs/dbraw/zinc/86/00/72/882860072.db2.gz XAHXMQLVKWVYHM-KRWDZBQOSA-N 1 0 388.500 3.953 10 0 GHAERO C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2-n2cncn2)c2cccc(Br)c21 ZINC000178055090 882860699 /nfs/dbraw/zinc/86/06/99/882860699.db2.gz HPKQHVJABQBABW-MLGOLLRUSA-N 1 0 384.281 3.763 10 0 GHAERO C[N@@H+]1CCC[C@@H]2CN(CC(=O)Nc3c(Cl)cccc3C(F)(F)F)CC[C@@H]21 ZINC000178114531 882886777 /nfs/dbraw/zinc/88/67/77/882886777.db2.gz QNBPKZFHEATKME-DOMZBBRYSA-N 1 0 389.849 3.713 10 0 GHAERO COCCc1nc(C)c([C@H](C)Nc2ccc(OC3CC[NH+](C)CC3)nc2)s1 ZINC000179745763 883024259 /nfs/dbraw/zinc/02/42/59/883024259.db2.gz WIBVECYTLAOGSR-AWEZNQCLSA-N 1 0 390.553 3.682 10 0 GHAERO Cc1cn2c(C[NH+]3CCC(C(=O)Nc4ccccc4O)CC3)c(C)nc2s1 ZINC000121377838 876958387 /nfs/dbraw/zinc/95/83/87/876958387.db2.gz MZIUYFSPCKCZKD-UHFFFAOYSA-N 1 0 384.505 3.569 10 0 GHAERO Cc1cc(C(=O)N2CCC(Cc3nccn3C)CC2)nn1-c1cccc(Cl)c1 ZINC000180766781 883098496 /nfs/dbraw/zinc/09/84/96/883098496.db2.gz KDBQSXYCMSIBPY-UHFFFAOYSA-N 1 0 397.910 3.663 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCc1ccc(Cl)cc1F ZINC000187136699 883750254 /nfs/dbraw/zinc/75/02/54/883750254.db2.gz ZQWKYNINHLHUHY-KUHUBIRLSA-N 1 0 390.890 3.584 10 0 GHAERO Cc1nc([C@@H]2CCCN2C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cs1 ZINC000187788983 883807029 /nfs/dbraw/zinc/80/70/29/883807029.db2.gz VAMUQZCNILISCM-GMBSWORKSA-N 1 0 376.570 3.951 10 0 GHAERO O=C(Nc1ccccc1C(=O)NCc1ccc2c(c1)C[NH2+]C2)c1cccs1 ZINC000188661334 883869078 /nfs/dbraw/zinc/86/90/78/883869078.db2.gz QFUKIIAYLIXCSH-UHFFFAOYSA-N 1 0 377.469 3.534 10 0 GHAERO O=C(Nc1cc(Br)c(F)cc1F)N1CCC([NH+]2CCCC2)CC1 ZINC000189138590 883907421 /nfs/dbraw/zinc/90/74/21/883907421.db2.gz RLBRYNAEUVUESI-UHFFFAOYSA-N 1 0 388.256 3.819 10 0 GHAERO CCOCCOc1c(Cl)cccc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000063397721 883987348 /nfs/dbraw/zinc/98/73/48/883987348.db2.gz LOKHRBDMIWISLQ-UHFFFAOYSA-N 1 0 395.931 3.847 10 0 GHAERO Fc1ccc(-c2noc([C@H]3CCCN(Cc4nc(-c5ccoc5)no4)C3)n2)cc1 ZINC000105609000 884821077 /nfs/dbraw/zinc/82/10/77/884821077.db2.gz QFWFVUPOIHYABS-AWEZNQCLSA-N 1 0 395.394 3.898 10 0 GHAERO O=C(c1ccc(F)c(F)c1)c1ccccc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000108894895 886088281 /nfs/dbraw/zinc/08/82/81/886088281.db2.gz DPRIPHHFEYWXDL-UHFFFAOYSA-N 1 0 398.453 3.896 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCc1ccc(Cl)s1 ZINC000116250894 886358814 /nfs/dbraw/zinc/35/88/14/886358814.db2.gz FABBPKUHJGCMLO-YOEHRIQHSA-N 1 0 377.941 3.756 10 0 GHAERO CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1OCC ZINC000116244138 886359079 /nfs/dbraw/zinc/35/90/79/886359079.db2.gz ZTGJFSTWBYIEFH-PXNSSMCTSA-N 1 0 397.519 3.519 10 0 GHAERO CCN(Cc1ccccc1C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116569620 886367160 /nfs/dbraw/zinc/36/71/60/886367160.db2.gz BXFRXTNNFOXAIA-SIKLNZKXSA-N 1 0 380.536 3.832 10 0 GHAERO CCOc1ccc([C@H](C)NC(=O)N2CCC([NH+]3CCCC3)CC2)cc1OCC ZINC000043117374 886837021 /nfs/dbraw/zinc/83/70/21/886837021.db2.gz JVACOVJCAZKSRQ-KRWDZBQOSA-N 1 0 389.540 3.815 10 0 GHAERO C[C@@H](c1cccc(Br)c1)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000125776503 886900519 /nfs/dbraw/zinc/90/05/19/886900519.db2.gz CJUBZZHVTQDAQV-AWEZNQCLSA-N 1 0 378.314 3.579 10 0 GHAERO COc1cc(CN2CCC([NH+]3CCCC3)CC2)ccc1OCc1c(C)noc1C ZINC000127774098 887098157 /nfs/dbraw/zinc/09/81/57/887098157.db2.gz YEMGHTKTGJSHKA-UHFFFAOYSA-N 1 0 399.535 3.939 10 0 GHAERO COCCOc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc(C)n3)CC2)cc1OC ZINC000128145396 887151465 /nfs/dbraw/zinc/15/14/65/887151465.db2.gz OWNXLIYMALIFBL-GOSISDBHSA-N 1 0 399.535 3.743 10 0 GHAERO Brc1ccc(-c2nnc(CN[C@H]3CCCC[C@H]3n3cccn3)o2)o1 ZINC000128831389 887232952 /nfs/dbraw/zinc/23/29/52/887232952.db2.gz IMMVYZZONIFVGB-NWDGAFQWSA-N 1 0 392.257 3.562 10 0 GHAERO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000061605226 888492320 /nfs/dbraw/zinc/49/23/20/888492320.db2.gz LAHIDETZKVHXNA-UHFFFAOYSA-N 1 0 377.847 3.753 10 0 GHAERO C[C@@H](C(=O)Nc1ccccc1OC(F)F)N1CCC[C@H](c2nccs2)C1 ZINC000195347710 888681757 /nfs/dbraw/zinc/68/17/57/888681757.db2.gz IKGODUOMKFLIJZ-STQMWFEESA-N 1 0 381.448 3.951 10 0 GHAERO CC(=O)c1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1C ZINC000245633130 889110305 /nfs/dbraw/zinc/11/03/05/889110305.db2.gz UHCWERBEYLOKAG-IERDGZPVSA-N 1 0 380.492 3.625 10 0 GHAERO C[C@@H]1CC([NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C[C@@H](C)O1 ZINC000245918642 890014382 /nfs/dbraw/zinc/01/43/82/890014382.db2.gz PSTPKTRPNVPGGY-LBTNJELSSA-N 1 0 384.442 3.742 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)CCO1 ZINC000072013588 891237885 /nfs/dbraw/zinc/23/78/85/891237885.db2.gz HQHDYUSQNDRLFJ-LJQANCHMSA-N 1 0 378.516 3.530 10 0 GHAERO C[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)Cc1cccs1 ZINC000246551129 891285647 /nfs/dbraw/zinc/28/56/47/891285647.db2.gz YRARUINNQHFOGB-SQGPQFPESA-N 1 0 386.565 3.532 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc2ccn(C)c2c1 ZINC000246728997 891301561 /nfs/dbraw/zinc/30/15/61/891301561.db2.gz MQCPLSNUESCYSL-OXJNMPFZSA-N 1 0 377.492 3.605 10 0 GHAERO O=C(CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccccc1C(F)(F)F ZINC000246839384 891314198 /nfs/dbraw/zinc/31/41/98/891314198.db2.gz OPHFPHQPWRIXNY-KSSFIOAISA-N 1 0 381.442 3.593 10 0 GHAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccc(N2CCCC2=O)cc1 ZINC000246868401 891318938 /nfs/dbraw/zinc/31/89/38/891318938.db2.gz CINMDYYLKCKSOE-SFYKDHMMSA-N 1 0 392.547 3.770 10 0 GHAERO C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccn1Cc1cccs1 ZINC000246883174 891319424 /nfs/dbraw/zinc/31/94/24/891319424.db2.gz BCUFTBYZGOAMNJ-PGRDOPGGSA-N 1 0 380.561 3.993 10 0 GHAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)[C@H]3C[C@H]3c3cccc4ccccc43)C2)CC1 ZINC000246988694 891328571 /nfs/dbraw/zinc/32/85/71/891328571.db2.gz QQDLWQIZDUDQCH-QDSKXPNFSA-N 1 0 391.559 3.572 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N[C@H]1CCCOc2ccccc21 ZINC000247053393 891338429 /nfs/dbraw/zinc/33/84/29/891338429.db2.gz OQPAVFYWRWHLGB-UIFIKXQLSA-N 1 0 394.519 3.505 10 0 GHAERO C[C@@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1cccc(N2CCCS2(=O)=O)c1 ZINC000247040462 891338781 /nfs/dbraw/zinc/33/87/81/891338781.db2.gz MTHUWZJXZIPQJX-KUHUBIRLSA-N 1 0 390.480 3.540 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1cc(F)c(F)c(F)c1 ZINC000247178336 891351608 /nfs/dbraw/zinc/35/16/08/891351608.db2.gz YWZDSIWQPSICRQ-SJKOYZFVSA-N 1 0 378.398 3.531 10 0 GHAERO Cc1cccc(CSCC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247191571 891353362 /nfs/dbraw/zinc/35/33/62/891353362.db2.gz LENADAWMGFEWLA-NQIIRXRSSA-N 1 0 383.561 3.650 10 0 GHAERO Cc1cccc(C)c1NC(=O)CCC[N@H+]1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000247300796 891363914 /nfs/dbraw/zinc/36/39/14/891363914.db2.gz URVHLHNDMBEDTI-PCCBWWKXSA-N 1 0 387.568 3.596 10 0 GHAERO C[C@H](SCc1ccccc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000247328306 891367380 /nfs/dbraw/zinc/36/73/80/891367380.db2.gz XZZSJDOSFPEOIJ-BBTUJRGHSA-N 1 0 383.561 3.730 10 0 GHAERO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(OCc4ccccn4)c(F)c3)CC[C@H]21 ZINC000247934301 891400334 /nfs/dbraw/zinc/40/03/34/891400334.db2.gz CHCLPHXGCNEXPI-OXJNMPFZSA-N 1 0 398.482 3.748 10 0 GHAERO COc1ccc(-c2nc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cs2)c(OC)c1 ZINC000247934295 891400358 /nfs/dbraw/zinc/40/03/58/891400358.db2.gz CGZMJFRXNHZTBM-DNVCBOLYSA-N 1 0 387.549 3.743 10 0 GHAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(NC(=O)Nc4ccccc4)s3)CC[C@H]21 ZINC000248151893 891412879 /nfs/dbraw/zinc/41/28/79/891412879.db2.gz QVNLVWJAECZYEL-NVXWUHKLSA-N 1 0 398.532 3.948 10 0 GHAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2csc(-c3ccc(F)c(F)c3)n2)C1 ZINC000248519143 891423684 /nfs/dbraw/zinc/42/36/84/891423684.db2.gz AWRXPQZXVNTHRS-GUYCJALGSA-N 1 0 377.460 3.645 10 0 GHAERO CN1CCC[C@H](C[NH2+][C@H]2CCS(=O)(=O)c3ccccc32)[C@H]1c1cccs1 ZINC000248543673 891425331 /nfs/dbraw/zinc/42/53/31/891425331.db2.gz DDNDBMXQDZJFSU-SYNHAJSKSA-N 1 0 390.574 3.639 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c2ccc(F)cc2C1 ZINC000248738114 891450128 /nfs/dbraw/zinc/45/01/28/891450128.db2.gz QIIUWNBYXWXFES-KWRBSRFISA-N 1 0 388.508 3.707 10 0 GHAERO CCn1cnnc1-c1ccccc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000249072148 891492063 /nfs/dbraw/zinc/49/20/63/891492063.db2.gz RFVOHHRNXXQBQC-PMACEKPBSA-N 1 0 390.491 3.532 10 0 GHAERO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2ccccc2OC2CCCC2)CC1 ZINC000333100919 899961012 /nfs/dbraw/zinc/96/10/12/899961012.db2.gz DVOMUWMBTFMGQV-GHTZIAJQSA-N 1 0 387.524 3.758 10 0 GHAERO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC000333102035 899962569 /nfs/dbraw/zinc/96/25/69/899962569.db2.gz AVTSYCFSMOTTNT-ZBFHGGJFSA-N 1 0 390.286 3.883 10 0 GHAERO Cc1nc(-c2cccc(NC(=O)N3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)c2)oc1C ZINC000333188302 900021177 /nfs/dbraw/zinc/02/11/77/900021177.db2.gz UGHFHMVVNLJAGD-VQTJNVASSA-N 1 0 398.507 3.709 10 0 GHAERO Cc1cccc(NC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1Br ZINC000333276721 901963180 /nfs/dbraw/zinc/96/31/80/901963180.db2.gz GXJZGKLINMMUNW-RHSMWYFYSA-N 1 0 396.329 3.508 10 0 GHAERO CCC(=O)O[C@](C)(c1ccccc1)[C@@H](Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000022040948 212153412 /nfs/dbraw/zinc/15/34/12/212153412.db2.gz HYAOCXOBJATGBG-UKILVPOCSA-N 1 0 394.559 3.961 10 0 GHAERO c1ccc(-c2nc3ccccc3c(NCCCCCN3CC[NH2+]CC3)n2)cc1 ZINC000090628463 212150824 /nfs/dbraw/zinc/15/08/24/212150824.db2.gz UQOQSKRIYZSBHZ-UHFFFAOYSA-N 1 0 375.520 3.784 10 0 GHAERO CC1(C)CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000013892600 212149581 /nfs/dbraw/zinc/14/95/81/212149581.db2.gz DYKJMRFQHDXDHH-JKSUJKDBSA-N 1 0 399.362 3.620 10 0 GHAERO O=C(c1n[nH]c2c1CCC2)N1CC[C@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000012316245 221181714 /nfs/dbraw/zinc/18/17/14/221181714.db2.gz QDGQXSJJAAROHS-HSZRJFAPSA-N 1 0 384.568 3.797 10 0 GHAERO Cc1sc2nc(CC[NH3+])nc(N(C)Cc3cccc4cccnc43)c2c1C ZINC000065371762 222126914 /nfs/dbraw/zinc/12/69/14/222126914.db2.gz HVGJKTKNVROTMY-UHFFFAOYSA-N 1 0 377.517 3.994 10 0 GHAERO CCc1cc(OC)c(OC)cc1[C@@H]1CC2(OCCO2)[C@H]2CCCC[C@H]2[N@@H+]1C ZINC000252257179 570727300 /nfs/dbraw/zinc/72/73/00/570727300.db2.gz NDHIZGXRKXDSMH-OTWHNJEPSA-N 1 0 375.509 3.945 10 0 GHAERO O[C@]12CCCC[C@H]1C[N@H+](Cc1nc(-c3cccc(Br)c3)c[nH]1)CC2 ZINC000245803198 844088222 /nfs/dbraw/zinc/08/82/22/844088222.db2.gz YDAUWMQEOOCMEY-KXBFYZLASA-N 1 0 390.325 3.966 10 0 GHAERO C[C@@H](c1nc(-c2cccs2)no1)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000328752919 840254268 /nfs/dbraw/zinc/25/42/68/840254268.db2.gz NMRJNELWQURJSC-XHSDSOJGSA-N 1 0 390.553 3.680 10 0 GHAERO Cc1ccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1NC(=O)Nc1ccccc1 ZINC000247214225 840960920 /nfs/dbraw/zinc/96/09/20/840960920.db2.gz NQTKDPSZHXTLOK-YLJYHZDGSA-N 1 0 392.503 3.948 10 0 GHAERO Cc1c([C@@H](C)[NH2+]C2CCN(c3ccc(C)cn3)CC2)cnn1-c1ccccn1 ZINC000163466189 842994859 /nfs/dbraw/zinc/99/48/59/842994859.db2.gz FPGXQLLBKHCHDC-QGZVFWFLSA-N 1 0 376.508 3.599 10 0 GHAERO CCc1ccc(C(=O)Nc2sccc2C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000237093185 847306154 /nfs/dbraw/zinc/30/61/54/847306154.db2.gz CIHPTWFZABYFSS-SJPCQFCGSA-N 1 0 383.517 3.576 10 0 GHAERO Cc1nc(CC(C)C)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000155226966 849482983 /nfs/dbraw/zinc/48/29/83/849482983.db2.gz ZXGULEAHCSZAIU-MAUKXSAKSA-N 1 0 386.565 3.685 10 0 GHAERO O=C(NC1CC[NH+](C2CCCC2)CC1)N[C@H]1CCO[C@H](c2cccs2)C1 ZINC000333875437 851889086 /nfs/dbraw/zinc/88/90/86/851889086.db2.gz VJTXRNJNEDUPEW-WMZOPIPTSA-N 1 0 377.554 3.674 10 0 GHAERO C[C@H]1CCc2c(sc3nc(C[NH2+][C@H]4CCC(=O)NC45CCC5)nc(N)c23)C1 ZINC000328725357 854505482 /nfs/dbraw/zinc/50/54/82/854505482.db2.gz ZBHHPIYTBRNVCQ-FZMZJTMJSA-N 1 0 385.537 3.530 10 0 GHAERO Cc1nc2cc(NC(=O)NC[C@H]3CC[N@H+](CCc4ccccc4)C3)ccc2o1 ZINC000103319158 856122409 /nfs/dbraw/zinc/12/24/09/856122409.db2.gz GKOHTDQVIRAIBH-GOSISDBHSA-N 1 0 378.476 3.822 10 0 GHAERO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1F ZINC000102700092 860822285 /nfs/dbraw/zinc/82/22/85/860822285.db2.gz GQUYLXDJCCNXOZ-OAHLLOKOSA-N 1 0 399.466 3.641 10 0 GHAERO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000102959651 860920481 /nfs/dbraw/zinc/92/04/81/860920481.db2.gz ZJPUQHAIQNKVFJ-HXUWFJFHSA-N 1 0 395.503 3.914 10 0 GHAERO Cc1cc(N2CCC[C@H]([NH2+][C@H]3C[C@H](C)Sc4sccc43)C2=O)n(C)n1 ZINC000329238993 861183234 /nfs/dbraw/zinc/18/32/34/861183234.db2.gz QAFXITLLWGBNEH-QEJZJMRPSA-N 1 0 376.551 3.501 10 0 GHAERO C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1=O ZINC000177239411 863317316 /nfs/dbraw/zinc/31/73/16/863317316.db2.gz KCOUVIMVLBMZQU-ICSRJNTNSA-N 1 0 397.563 3.509 10 0 GHAERO C[NH+](C)[C@@H](CNC(=O)N[C@@H](c1ccccc1)c1ccncc1)C1CCCCC1 ZINC000103246287 863923558 /nfs/dbraw/zinc/92/35/58/863923558.db2.gz PCSURKVZODWIDS-VXKWHMMOSA-N 1 0 380.536 3.981 10 0 GHAERO C[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccc2c(c1)OCO2 ZINC000103301649 863947892 /nfs/dbraw/zinc/94/78/92/863947892.db2.gz YKKYEQKAQJZVSF-MSOLQXFVSA-N 1 0 387.524 3.774 10 0 GHAERO C[C@H](CC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1)C1CC[NH2+]CC1 ZINC000168904236 881927108 /nfs/dbraw/zinc/92/71/08/881927108.db2.gz YFTOYBBJMZQBKL-XLIONFOSSA-N 1 0 380.536 3.809 10 0 GHAERO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000173989747 882400508 /nfs/dbraw/zinc/40/05/08/882400508.db2.gz GQHJUNCYMOVNOA-MRXNPFEDSA-N 1 0 389.503 3.874 10 0 GHAERO c1csc([C@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)C2)n1 ZINC000092788975 882440244 /nfs/dbraw/zinc/44/02/44/882440244.db2.gz YEQLOZXLFNNCFG-HNNXBMFYSA-N 1 0 382.489 3.684 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc(N2CCCCC2)cc1 ZINC000174244298 882438676 /nfs/dbraw/zinc/43/86/76/882438676.db2.gz FPUGWLVRCWSYEB-XXBNENTESA-N 1 0 392.547 3.712 10 0 GHAERO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H](c2nccs2)C1)c1ccco1 ZINC000114826582 870756100 /nfs/dbraw/zinc/75/61/00/870756100.db2.gz MQOPRELNFIOTEG-HZPDHXFCSA-N 1 0 376.526 3.708 10 0 GHAERO COc1ccc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cc1OCc1cccnc1 ZINC000093691511 882598235 /nfs/dbraw/zinc/59/82/35/882598235.db2.gz PRTIGCAXYFRHDQ-OAQYLSRUSA-N 1 0 391.471 3.718 10 0 GHAERO Cc1nc(-c2ccco2)ccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116247073 873367662 /nfs/dbraw/zinc/36/76/62/873367662.db2.gz LMQKTIWWKBXQBT-JXFKEZNVSA-N 1 0 390.487 3.685 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000177306802 882819694 /nfs/dbraw/zinc/81/96/94/882819694.db2.gz QIKDXMGNNBRJQM-KKSFZXQISA-N 1 0 392.503 3.633 10 0 GHAERO O=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000124570228 874759059 /nfs/dbraw/zinc/75/90/59/874759059.db2.gz QSCXOFRQDXOVGU-LADGPHEKSA-N 1 0 399.579 3.899 10 0 GHAERO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]Cc1cccnc1-n1cncn1 ZINC000178055150 882860933 /nfs/dbraw/zinc/86/09/33/882860933.db2.gz LCEHMMSDRZEPLK-CQSZACIVSA-N 1 0 376.489 3.945 10 0 GHAERO CC(C)(C)OC(=O)NC1CCC([NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)CC1 ZINC000180772925 883098592 /nfs/dbraw/zinc/09/85/92/883098592.db2.gz JHDNFUVGRFEJCU-ACBHZAAOSA-N 1 0 393.572 3.593 10 0 GHAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)CCCc3ccc4ccccc4c3)C2)CC1 ZINC000181098064 883122324 /nfs/dbraw/zinc/12/23/24/883122324.db2.gz PRPZYUUADYFQIO-DEOSSOPVSA-N 1 0 393.575 3.791 10 0 GHAERO CCN(CC)c1ncc(C[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)s1 ZINC000185350304 883439592 /nfs/dbraw/zinc/43/95/92/883439592.db2.gz GFKGEAOTCCDZAY-IBGZPJMESA-N 1 0 390.528 3.712 10 0 GHAERO COc1cc2c(c(C[NH2+][C@H]3CCN(C(C)=O)Cc4cc(F)ccc43)c1)O[C@H](C)C2 ZINC000185365760 883442520 /nfs/dbraw/zinc/44/25/20/883442520.db2.gz WPJGONHEFAPMAT-PEBXRYMYSA-N 1 0 398.478 3.741 10 0 GHAERO O=S1(=O)CC[C@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)c2ccccc21 ZINC000186256369 883626052 /nfs/dbraw/zinc/62/60/52/883626052.db2.gz AJQCAANMBCNADM-SFHVURJKSA-N 1 0 386.448 3.532 10 0 GHAERO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1 ZINC000186653198 883683104 /nfs/dbraw/zinc/68/31/04/883683104.db2.gz MKGDWZIYDCOWER-UHFFFAOYSA-N 1 0 395.507 3.827 10 0 GHAERO CN(Cc1ccccc1)[C@H](C[NH2+]C1CCN(Cc2cccnc2)CC1)C1CC1 ZINC000186879755 883726369 /nfs/dbraw/zinc/72/63/69/883726369.db2.gz NFSSFCZJMLVMHN-XMMPIXPASA-N 1 0 378.564 3.546 10 0 GHAERO Cc1nn(C)cc1NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000189631081 883973541 /nfs/dbraw/zinc/97/35/41/883973541.db2.gz HUHVKPKIKDERKR-UHFFFAOYSA-N 1 0 377.492 3.779 10 0 GHAERO O=C(/C=C/c1ccc(Oc2cccnc2)c(F)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127416850 887060424 /nfs/dbraw/zinc/06/04/24/887060424.db2.gz DIRLTKDNEZCIEW-ZLQZBKBYSA-N 1 0 395.478 3.971 10 0 GHAERO COc1cc(CN2CCC([NH+]3CCCC3)CC2)ccc1OCc1ccncc1 ZINC000127703600 887094429 /nfs/dbraw/zinc/09/44/29/887094429.db2.gz TZBVNOWBUGRCLT-UHFFFAOYSA-N 1 0 381.520 3.729 10 0 GHAERO CCCN(CCc1ccccn1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000105083636 887528424 /nfs/dbraw/zinc/52/84/24/887528424.db2.gz ZFPNIENFLXOBIX-IBGZPJMESA-N 1 0 386.565 3.944 10 0 GHAERO C[C@H](CCOc1ccccc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000245442540 888737666 /nfs/dbraw/zinc/73/76/66/888737666.db2.gz ICMBJGSUTYPOIY-WOIUINJBSA-N 1 0 381.520 3.513 10 0 GHAERO CCC(CC)n1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1C ZINC000245630964 889103104 /nfs/dbraw/zinc/10/31/04/889103104.db2.gz UHORNNYDUNJPKR-UZLBHIALSA-N 1 0 383.540 3.588 10 0 GHAERO CNC(=O)c1ccc(C[NH2+]C[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000245660461 889181765 /nfs/dbraw/zinc/18/17/65/889181765.db2.gz FSQYIJSRWGURIK-XLIONFOSSA-N 1 0 389.902 3.621 10 0 GHAERO Cc1cccnc1CNC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245665439 889188394 /nfs/dbraw/zinc/18/83/94/889188394.db2.gz GVOIRBZRLAKODR-BEFAXECRSA-N 1 0 390.890 3.675 10 0 GHAERO Brc1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c2ncccc12 ZINC000245973583 890112130 /nfs/dbraw/zinc/11/21/30/890112130.db2.gz OHWRNZFPMGLIKM-HZPDHXFCSA-N 1 0 379.323 3.704 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000246000690 890159039 /nfs/dbraw/zinc/15/90/39/890159039.db2.gz IPNNPLQZYIFKTG-FZKQIMNGSA-N 1 0 395.400 3.880 10 0 GHAERO CN(C)C(=O)c1ccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)[nH]1 ZINC000246477452 891272105 /nfs/dbraw/zinc/27/21/05/891272105.db2.gz OSHVHALIOTXKIS-FUHWJXTLSA-N 1 0 375.538 3.646 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N1CC=C(c2cccs2)CC1 ZINC000246625954 891293149 /nfs/dbraw/zinc/29/31/49/891293149.db2.gz CHFQTXWWCAHYHT-YLJYHZDGSA-N 1 0 396.560 3.852 10 0 GHAERO C[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc(F)cc1F ZINC000246718510 891299977 /nfs/dbraw/zinc/29/99/77/891299977.db2.gz NYDFRBCBOVUYTB-WHSLLNHNSA-N 1 0 387.474 3.880 10 0 GHAERO CCCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246866773 891316578 /nfs/dbraw/zinc/31/65/78/891316578.db2.gz FEUJMNDZCFICDD-DENIHFKCSA-N 1 0 380.536 3.914 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(C)CCCc1ccccc1 ZINC000246863313 891318195 /nfs/dbraw/zinc/31/81/95/891318195.db2.gz FCXOBVFUJCTCFR-DENIHFKCSA-N 1 0 380.536 3.566 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCSc1ccccc1F ZINC000247097610 891344969 /nfs/dbraw/zinc/34/49/69/891344969.db2.gz FALJGLSQCKJSQE-QFBILLFUSA-N 1 0 387.524 3.730 10 0 GHAERO Cc1cc(OC(F)F)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000247152763 891349763 /nfs/dbraw/zinc/34/97/63/891349763.db2.gz INANIOBPDVVWBD-IUODEOHRSA-N 1 0 395.475 3.693 10 0 GHAERO Cc1nc(-c2ccco2)ccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247197595 891353616 /nfs/dbraw/zinc/35/36/16/891353616.db2.gz LMQKTIWWKBXQBT-OXQOHEQNSA-N 1 0 390.487 3.685 10 0 GHAERO CNC(=O)c1ccc(C)c(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000247325316 891366262 /nfs/dbraw/zinc/36/62/62/891366262.db2.gz XXGQDVDUDVPCRY-PXNSSMCTSA-N 1 0 394.519 3.529 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc2scnc2c1 ZINC000247545533 891383860 /nfs/dbraw/zinc/38/38/60/891383860.db2.gz ROFXSLMBHJANKZ-WMLDXEAASA-N 1 0 381.505 3.723 10 0 GHAERO C[C@H](c1ccccc1F)N(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247562172 891386576 /nfs/dbraw/zinc/38/65/76/891386576.db2.gz UXQDLRBQYSMDGA-LZJOCLMNSA-N 1 0 384.499 3.834 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(Cc1cccs1)C1CC1 ZINC000247583553 891388783 /nfs/dbraw/zinc/38/87/83/891388783.db2.gz ZBESHXHPJRRGFK-OXQOHEQNSA-N 1 0 384.549 3.728 10 0 GHAERO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C)c1nccs1 ZINC000248590189 891441470 /nfs/dbraw/zinc/44/14/70/891441470.db2.gz RCVYGAIETPYYTE-PKOBYXMFSA-N 1 0 386.565 3.800 10 0 GHAERO CC(=O)NC1CCC([NH2+]C[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000248928049 891481872 /nfs/dbraw/zinc/48/18/72/891481872.db2.gz XLHYLCYETVEXEN-ILCXRZRJSA-N 1 0 381.923 3.509 10 0 GHAERO Cc1ccc([C@H](CNC(=O)N(C)Cc2ccc(Cl)nc2)[NH+]2CCCC2)o1 ZINC000102038565 897990542 /nfs/dbraw/zinc/99/05/42/897990542.db2.gz JXZZDHWLBPGJRF-INIZCTEOSA-N 1 0 376.888 3.615 10 0 GHAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl ZINC000105056327 898184110 /nfs/dbraw/zinc/18/41/10/898184110.db2.gz JUFNZTJSVVCLDC-CQSZACIVSA-N 1 0 382.936 3.672 10 0 GHAERO Cc1cc(Br)c(-c2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)s1 ZINC000333760337 902314880 /nfs/dbraw/zinc/31/48/80/902314880.db2.gz COCJUKOQGSISLU-NHYWBVRUSA-N 1 0 384.299 3.795 10 0 GHAERO C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@]12Cc1c(c3c(cc1O)C(=[NH2+])NC3)O2 ZINC000252516945 212135145 /nfs/dbraw/zinc/13/51/45/212135145.db2.gz YFEDMPPDOYSQSZ-LORSETISSA-N 1 0 384.520 3.728 10 0 GHAERO CCn1cnc2c1nc(N[C@H]1CCCC[C@H]1[NH3+])nc2Nc1cccc(Cl)c1 ZINC000008203289 221030584 /nfs/dbraw/zinc/03/05/84/221030584.db2.gz UTBSBSOBZHXMHI-CABCVRRESA-N 1 0 385.903 3.925 10 0 GHAERO COc1ccccc1CC[NH2+]Cc1cc(Br)c(OC)c(OC)c1 ZINC000013719022 221284266 /nfs/dbraw/zinc/28/42/66/221284266.db2.gz PCZMWYNVWXJFNK-UHFFFAOYSA-N 1 0 380.282 3.807 10 0 GHAERO CCn1ncc(CN(C)C[C@H]2CCC[N@H+](CCc3ccc(OC)cc3)C2)c1C ZINC000014977088 221323803 /nfs/dbraw/zinc/32/38/03/221323803.db2.gz KMSIJGKXRDVEPD-OAQYLSRUSA-N 1 0 384.568 3.607 10 0 GHAERO CC(=O)N[C@@H]1CC[N@@H+](C2CCN(c3cccc(-c4cccc(C)c4)c3)CC2)C1 ZINC000023192076 221587995 /nfs/dbraw/zinc/58/79/95/221587995.db2.gz GHRJFFFEHWOOFU-JOCHJYFZSA-N 1 0 377.532 3.841 10 0 GHAERO CCCCC(=O)N1CCC([NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC000034912061 570342899 /nfs/dbraw/zinc/34/28/99/570342899.db2.gz CJAHKBFJTKCVOJ-UHFFFAOYSA-N 1 0 389.515 3.657 10 0 GHAERO CC(C)Cn1cc([C@H]2[NH2+]CC23CCN(C(=O)OCc2ccccc2)CC3)cn1 ZINC000536959664 570471023 /nfs/dbraw/zinc/47/10/23/570471023.db2.gz LPFKKNFESADUOH-HXUWFJFHSA-N 1 0 382.508 3.602 10 0 GHAERO Cc1ccc(-n2nc(C(=O)N3CCC([NH+]4CCCC4)CC3)c3c2CCC3)c(F)c1 ZINC000107245808 838701746 /nfs/dbraw/zinc/70/17/46/838701746.db2.gz IGUXUAUBMGHICT-UHFFFAOYSA-N 1 0 396.510 3.509 10 0 GHAERO O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246487848 841743296 /nfs/dbraw/zinc/74/32/96/841743296.db2.gz RYMJOXWZUMWMON-DLBZAZTESA-N 1 0 393.915 3.600 10 0 GHAERO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)c1 ZINC000408226527 843341189 /nfs/dbraw/zinc/34/11/89/843341189.db2.gz QBHUXQRUDAANET-GOEBONIOSA-N 1 0 377.916 3.633 10 0 GHAERO COc1ccccc1[C@@H](CNC(=O)/C=C\c1ncccc1C)[NH+]1CCCCC1 ZINC000588454948 843350252 /nfs/dbraw/zinc/35/02/52/843350252.db2.gz RZUGHZIYBDWQDJ-BIGNBACZSA-N 1 0 379.504 3.755 10 0 GHAERO C[C@]12CCC[N@@H+]1C[C@H](c1noc(-c3cccc(Br)c3F)n1)OC2 ZINC000329668068 861978727 /nfs/dbraw/zinc/97/87/27/861978727.db2.gz LQSPTMHWDXOFDT-MLGOLLRUSA-N 1 0 382.233 3.564 10 0 GHAERO COc1ccc([C@@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)C(F)(F)F)cc1 ZINC000154931610 849409018 /nfs/dbraw/zinc/40/90/18/849409018.db2.gz MULMQBVCCITPRA-QGZVFWFLSA-N 1 0 385.430 3.568 10 0 GHAERO Clc1cc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c2c(c1)COCO2 ZINC000155752291 849627693 /nfs/dbraw/zinc/62/76/93/849627693.db2.gz ZWUNTHCPWBZISY-AWEZNQCLSA-N 1 0 384.867 3.629 10 0 GHAERO Cc1ccc(Br)c(-c2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)c1 ZINC000329683631 862054777 /nfs/dbraw/zinc/05/47/77/862054777.db2.gz TVVWHDLCTQEGAI-YOEHRIQHSA-N 1 0 378.270 3.733 10 0 GHAERO C[C@]12CCC[N@@H+]1C[C@H](c1noc(-c3cc(Br)ccc3F)n1)OC2 ZINC000329695953 862100314 /nfs/dbraw/zinc/10/03/14/862100314.db2.gz XRGREAPYHVYXAS-CZUORRHYSA-N 1 0 382.233 3.564 10 0 GHAERO CC1(C)CC(NC(=O)N2CCC(Nc3ccc(F)cc3)CC2)CC(C)(C)[NH2+]1 ZINC000171002752 851751664 /nfs/dbraw/zinc/75/16/64/851751664.db2.gz BULCDSUQWACIIG-UHFFFAOYSA-N 1 0 376.520 3.721 10 0 GHAERO O=C(NC1CC[NH+](C2CCCC2)CC1)N[C@H]1CCO[C@@H](c2cccs2)C1 ZINC000333875434 851888931 /nfs/dbraw/zinc/88/89/31/851888931.db2.gz VJTXRNJNEDUPEW-FUHWJXTLSA-N 1 0 377.554 3.674 10 0 GHAERO CC(C)c1nc([C@@H]2CCCN2C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)no1 ZINC000328951999 854614253 /nfs/dbraw/zinc/61/42/53/854614253.db2.gz HWMXEWROVHFPBY-QRQLOZEOSA-N 1 0 382.508 3.625 10 0 GHAERO CN(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000133026938 858802204 /nfs/dbraw/zinc/80/22/04/858802204.db2.gz YGGBBVUEECAHIO-UHFFFAOYSA-N 1 0 392.931 3.524 10 0 GHAERO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000173453053 865644757 /nfs/dbraw/zinc/64/47/57/865644757.db2.gz SGDOXUPIQBHRGW-GHTZIAJQSA-N 1 0 381.524 3.593 10 0 GHAERO C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1cccc(-n2ccnc2)c1 ZINC000173453834 865646915 /nfs/dbraw/zinc/64/69/15/865646915.db2.gz HALZRJWEILHKLC-RXVVDRJESA-N 1 0 381.524 3.593 10 0 GHAERO CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000172194046 882176329 /nfs/dbraw/zinc/17/63/29/882176329.db2.gz ZPCBXSYTOCVYBQ-AVRDEDQJSA-N 1 0 396.535 3.532 10 0 GHAERO O=C(COc1ccccc1C[N@@H+]1CCC[C@H](c2nccs2)C1)N1CCCC1 ZINC000092788889 882439688 /nfs/dbraw/zinc/43/96/88/882439688.db2.gz NYMHOIKZWHDIQO-SFHVURJKSA-N 1 0 385.533 3.524 10 0 GHAERO Cc1cc(CCC(=O)N2CCC([NH+]3CCCC3)CC2)ccc1Br ZINC000175968548 882652100 /nfs/dbraw/zinc/65/21/00/882652100.db2.gz DYAOQRPBQSTZIJ-UHFFFAOYSA-N 1 0 379.342 3.777 10 0 GHAERO Cc1cccc2[nH]c(CCC(=O)N(Cc3ccccc3)C3CC[NH+](C)CC3)nc21 ZINC000176125408 882669363 /nfs/dbraw/zinc/66/93/63/882669363.db2.gz XXAMMTDENCJZSW-UHFFFAOYSA-N 1 0 390.531 3.927 10 0 GHAERO CCSc1ccc(Cl)cc1C(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000176308741 882677506 /nfs/dbraw/zinc/67/75/06/882677506.db2.gz MNGHTHVTXRWGMR-QGZVFWFLSA-N 1 0 396.000 3.694 10 0 GHAERO Cc1sc(-c2ccco2)nc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116244927 873366334 /nfs/dbraw/zinc/36/63/34/873366334.db2.gz UEMXPXONPQWRJZ-YOEHRIQHSA-N 1 0 396.516 3.747 10 0 GHAERO COc1cc(OC)cc([C@@H]2CCN(C(=O)Nc3cccc(C[NH+](C)C)c3)C2)c1 ZINC000177260989 882778914 /nfs/dbraw/zinc/77/89/14/882778914.db2.gz SSBVUKVUOJPROY-QGZVFWFLSA-N 1 0 383.492 3.787 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cc(-c4ccccn4)ccc3Cl)CC2)CCO1 ZINC000179007889 882946127 /nfs/dbraw/zinc/94/61/27/882946127.db2.gz SHKQKMXSEBLTTR-MRXNPFEDSA-N 1 0 399.922 3.727 10 0 GHAERO C[N@H+](Cc1cn2ccsc2n1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000178829008 882956560 /nfs/dbraw/zinc/95/65/60/882956560.db2.gz YEBJIDBDUGWPPB-XYPWUTKMSA-N 1 0 376.526 3.758 10 0 GHAERO Cn1cc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c(-c2cccs2)n1 ZINC000179613270 883014461 /nfs/dbraw/zinc/01/44/61/883014461.db2.gz FDUCHRDJTLVCBM-UHFFFAOYSA-N 1 0 386.565 3.763 10 0 GHAERO COc1ccc([C@H](C)Nc2ccc(OC3CC[NH+](C)CC3)nc2)cc1NC(C)=O ZINC000179743168 883022315 /nfs/dbraw/zinc/02/23/15/883022315.db2.gz UZLXWXKEOHLHIS-HNNXBMFYSA-N 1 0 398.507 3.695 10 0 GHAERO C[C@H](Nc1ccc(OC2CC[NH+](C)CC2)nc1)c1ccc(N2CCOC2=O)cc1 ZINC000179744293 883022993 /nfs/dbraw/zinc/02/29/93/883022993.db2.gz DPUITZSLPWZAJO-INIZCTEOSA-N 1 0 396.491 3.684 10 0 GHAERO Brc1ccc([C@H]([NH2+]Cc2cccnc2-n2cncn2)C2CC2)cc1 ZINC000180019340 883046112 /nfs/dbraw/zinc/04/61/12/883046112.db2.gz LHWQRKSNOHLNBR-QGZVFWFLSA-N 1 0 384.281 3.666 10 0 GHAERO C[C@@H](NC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1)c1cccc2ccccc21 ZINC000180382125 883053356 /nfs/dbraw/zinc/05/33/56/883053356.db2.gz KAGGWRUWEYZDDJ-CTNGQTDRSA-N 1 0 394.563 3.712 10 0 GHAERO CCC(CC)n1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1C ZINC000180551313 883079441 /nfs/dbraw/zinc/07/94/41/883079441.db2.gz UHORNNYDUNJPKR-JXFKEZNVSA-N 1 0 383.540 3.588 10 0 GHAERO CC1CCN(C(=O)c2ccccc2NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000181748698 883177040 /nfs/dbraw/zinc/17/70/40/883177040.db2.gz XTTURNXEDLYJHJ-IBGZPJMESA-N 1 0 398.551 3.508 10 0 GHAERO CN1CC[NH+]([C@@H]2CCCCN(Cc3csc(CCc4ccccc4)n3)C2)CC1 ZINC000182909722 883248259 /nfs/dbraw/zinc/24/82/59/883248259.db2.gz BZYJSGBSMGCOPD-JOCHJYFZSA-N 1 0 398.620 3.530 10 0 GHAERO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000184518174 883351812 /nfs/dbraw/zinc/35/18/12/883351812.db2.gz HJVBZTNYMDTDEF-JLCFBVMHSA-N 1 0 383.467 3.928 10 0 GHAERO O=C(C1CC[NH+](C[C@@H](O)c2ccc(F)cc2Cl)CC1)N1CCCCCC1 ZINC000184947823 883407888 /nfs/dbraw/zinc/40/78/88/883407888.db2.gz CDBHAZLIGGUQOU-LJQANCHMSA-N 1 0 382.907 3.627 10 0 GHAERO CC(=O)N1CC[C@@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)c2ccc(F)cc2C1 ZINC000185516159 883548722 /nfs/dbraw/zinc/54/87/22/883548722.db2.gz OMAGDEZJWLNTBJ-OAQYLSRUSA-N 1 0 398.482 3.502 10 0 GHAERO Cc1cc(C(=O)N(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c(Cl)cc1F ZINC000186582207 883665811 /nfs/dbraw/zinc/66/58/11/883665811.db2.gz INRPTFWIGKHODX-INIZCTEOSA-N 1 0 375.875 3.967 10 0 GHAERO COc1ccc(/C(C)=C/C(=O)N(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000186589498 883667100 /nfs/dbraw/zinc/66/71/00/883667100.db2.gz YQHAGLQVMMJEEE-LAYTVVDLSA-N 1 0 379.504 3.664 10 0 GHAERO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccccc1OCC(=O)N1CCCC1 ZINC000188948529 883905065 /nfs/dbraw/zinc/90/50/65/883905065.db2.gz MYTCTEZSPPCJTN-FQEVSTJZSA-N 1 0 380.488 3.610 10 0 GHAERO CN1CC[NH+](CC2CCN(C(=O)N[C@@H](c3cccs3)C(C)(C)C)CC2)CC1 ZINC000192155741 884242771 /nfs/dbraw/zinc/24/27/71/884242771.db2.gz PWXRITQKJDZPBV-IBGZPJMESA-N 1 0 392.613 3.504 10 0 GHAERO CCCN(CCc1ccccn1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000105129959 886375158 /nfs/dbraw/zinc/37/51/58/886375158.db2.gz NGLWOEVDASZEEL-JOCHJYFZSA-N 1 0 380.536 3.883 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3ccccc3Cc3ccccc3)CC2)CCO1 ZINC000124325545 886731928 /nfs/dbraw/zinc/73/19/28/886731928.db2.gz PRDFUYRYOUOCAT-IBGZPJMESA-N 1 0 393.531 3.994 10 0 GHAERO c1c(CN2CCC([NH+]3CCCC3)CC2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000127773610 887097883 /nfs/dbraw/zinc/09/78/83/887097883.db2.gz MIBJVBAGMOILFR-UHFFFAOYSA-N 1 0 387.531 3.995 10 0 GHAERO O=C(Nc1ccccc1)c1ccc(C(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000128178919 887152735 /nfs/dbraw/zinc/15/27/35/887152735.db2.gz RFSVQCPPKQUNTJ-UHFFFAOYSA-N 1 0 377.488 3.639 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc(-c2ncco2)cc1 ZINC000132747737 887694674 /nfs/dbraw/zinc/69/46/74/887694674.db2.gz DBLJHOARZYDERN-UZLBHIALSA-N 1 0 391.475 3.769 10 0 GHAERO Cc1cc(N2CCSCC2)ccc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000051673058 887771037 /nfs/dbraw/zinc/77/10/37/887771037.db2.gz FSTUHCYXPNVCKA-UHFFFAOYSA-N 1 0 388.581 3.640 10 0 GHAERO CN1CC[C@H](CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c2ccccc21 ZINC000194110509 888558448 /nfs/dbraw/zinc/55/84/48/888558448.db2.gz SFGVYLICALNZLX-GOSISDBHSA-N 1 0 396.535 3.509 10 0 GHAERO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H](C)c1c(C)n[nH]c1C ZINC000245641653 889137302 /nfs/dbraw/zinc/13/73/02/889137302.db2.gz SIVCZMDBYLPCQN-LAUBAEHRSA-N 1 0 382.552 3.891 10 0 GHAERO CCC(CC)n1nc(C)cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000245841849 889841888 /nfs/dbraw/zinc/84/18/88/889841888.db2.gz JYDWFPIXUUNTHB-OXQOHEQNSA-N 1 0 383.540 3.588 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCc1ccc2[nH]ccc2c1 ZINC000245863921 889881527 /nfs/dbraw/zinc/88/15/27/889881527.db2.gz POTARNOWOGQTEW-DYESRHJHSA-N 1 0 376.504 3.522 10 0 GHAERO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cccc(Br)n2)C1 ZINC000245901940 889978398 /nfs/dbraw/zinc/97/83/98/889978398.db2.gz SJAOLNIOSRVXLA-HUUCEWRRSA-N 1 0 380.330 3.571 10 0 GHAERO O=C(C[C@@H]1OC(=O)c2ccccc21)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000246051626 890256608 /nfs/dbraw/zinc/25/66/08/890256608.db2.gz DKXFPEOWXOFQTN-MFXLTOHQSA-N 1 0 390.483 3.600 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCCc1ccc(Cl)s1 ZINC000246787424 891307781 /nfs/dbraw/zinc/30/77/81/891307781.db2.gz ACULDCYGBUCFQF-RHSMWYFYSA-N 1 0 392.956 3.549 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N1CCC[C@H]1c1cccs1 ZINC000246825088 891311830 /nfs/dbraw/zinc/31/18/30/891311830.db2.gz CEWZDVSPTCULNF-QRQLOZEOSA-N 1 0 384.549 3.900 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc(OC(F)F)cc1 ZINC000246849280 891315283 /nfs/dbraw/zinc/31/52/83/891315283.db2.gz DILDQKHNKIRFEQ-KBXCAEBGSA-N 1 0 390.434 3.715 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@@H]1SCCc2sccc21 ZINC000246891547 891320772 /nfs/dbraw/zinc/32/07/72/891320772.db2.gz PDHBJWJZKVUSPD-LSBZLQRGSA-N 1 0 387.574 3.500 10 0 GHAERO COc1cc([C@H](C)[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)ccc1S(C)(=O)=O ZINC000246990623 891329075 /nfs/dbraw/zinc/32/90/75/891329075.db2.gz KTUBBFOYPCWQIL-KLHJMIIUSA-N 1 0 389.517 3.670 10 0 GHAERO CCO[C@@H](C)c1noc(CN2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 ZINC000247054642 891339177 /nfs/dbraw/zinc/33/91/77/891339177.db2.gz WUMCYBPINHNTIO-DOTOQJQBSA-N 1 0 381.480 3.937 10 0 GHAERO Cc1cccc(C)c1-n1nnnc1CN1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000247056402 891339995 /nfs/dbraw/zinc/33/99/95/891339995.db2.gz ZMKLOIHTRUSYKM-WOJBJXKFSA-N 1 0 395.482 3.506 10 0 GHAERO CCOc1cc(F)ccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247061140 891340467 /nfs/dbraw/zinc/34/04/67/891340467.db2.gz PDXAKXNGXKKTQZ-CRAIPNDOSA-N 1 0 386.471 3.652 10 0 GHAERO C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247104728 891344517 /nfs/dbraw/zinc/34/45/17/891344517.db2.gz FIVRUBZSCUYAIS-GUXCAODWSA-N 1 0 387.911 3.529 10 0 GHAERO Cc1ccccc1OCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247172818 891351744 /nfs/dbraw/zinc/35/17/44/891351744.db2.gz JPXGIQFQVQIAQR-CTNGQTDRSA-N 1 0 381.520 3.576 10 0 GHAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(NC(=O)Nc3ccccc3)s2)C1 ZINC000247113506 891370136 /nfs/dbraw/zinc/37/01/36/891370136.db2.gz LRWASBZTMGYJGV-DOTOQJQBSA-N 1 0 398.532 3.948 10 0 GHAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(NC(=O)c4ccccc4)c3)CC[C@H]21 ZINC000248121015 891410732 /nfs/dbraw/zinc/41/07/32/891410732.db2.gz NISRBXJFYDXAHU-WIYYLYMNSA-N 1 0 392.503 3.887 10 0 GHAERO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000248815141 891471504 /nfs/dbraw/zinc/47/15/04/891471504.db2.gz KWLIGRSVABNWNP-OAUYIBNBSA-N 1 0 381.314 3.713 10 0 GHAERO CCOC1CC(CCNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000248865784 891476584 /nfs/dbraw/zinc/47/65/84/891476584.db2.gz BYPUDAWQKVXRNK-PMJAUZGISA-N 1 0 387.568 3.886 10 0 GHAERO CCN1c2ccc(NC(=O)N[C@H]3CC[N@H+](C)[C@H]3c3ccccc3)cc2CCC1=O ZINC000248893024 891480186 /nfs/dbraw/zinc/48/01/86/891480186.db2.gz BFMXRWOXAQKHJG-UGKGYDQZSA-N 1 0 392.503 3.553 10 0 GHAERO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2ccc(F)cc2C(F)(F)F)CC1 ZINC000333136695 899990070 /nfs/dbraw/zinc/99/00/70/899990070.db2.gz KIVXNRXFPSNZKN-GDBMZVCRSA-N 1 0 389.393 3.595 10 0 GHAERO [NH3+][C@@H]1CCCO[C@H]1C1CCN(c2ccnc3cc(Br)ccc32)CC1 ZINC000333693566 902274881 /nfs/dbraw/zinc/27/48/81/902274881.db2.gz PYKJKZGXMFRIJC-APWZRJJASA-N 1 0 390.325 3.720 10 0 GHAERO [NH3+][C@@H]1CC[C@@H]2CN(c3nc(-c4cccnc4)nc4sc5c(c43)CCCC5)C[C@@H]12 ZINC000333879942 902392862 /nfs/dbraw/zinc/39/28/62/902392862.db2.gz DEKMUAFYIYAMBN-DJIMGWMZSA-N 1 0 391.544 3.806 10 0 GHAERO CCn1cnc2c1nc(N[C@H]1CCCC[C@@H]1[NH3+])nc2Nc1cccc(Cl)c1 ZINC000008203285 221030819 /nfs/dbraw/zinc/03/08/19/221030819.db2.gz UTBSBSOBZHXMHI-GJZGRUSLSA-N 1 0 385.903 3.925 10 0 GHAERO Cc1ccc([C@@H]2C[C@H]3CN(C4Cc5ccccc5C4)C(=O)[C@]34CCC[N@H+]24)s1 ZINC000011767289 221125138 /nfs/dbraw/zinc/12/51/38/221125138.db2.gz IPHHGTWFTNUZHF-LEDOBFOHSA-N 1 0 378.541 3.962 10 0 GHAERO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2CCCO2)c(F)c1 ZINC000012300191 221177755 /nfs/dbraw/zinc/17/77/55/221177755.db2.gz NEAJVKOMDLDSDF-LJQANCHMSA-N 1 0 381.451 3.956 10 0 GHAERO CO[C@H]1CCC[N@H+](Cc2ccccc2-c2nc(-c3ccc(F)cc3)cc(=O)[nH]2)C1 ZINC000067982786 222170739 /nfs/dbraw/zinc/17/07/39/222170739.db2.gz AXFVOFBLIUJYOW-IBGZPJMESA-N 1 0 393.462 3.854 10 0 GHAERO C[N@@H+](Cc1ccc(Br)nc1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095075201 222328601 /nfs/dbraw/zinc/32/86/01/222328601.db2.gz UPAJTRJYSVCWBH-OAHLLOKOSA-N 1 0 398.345 3.923 10 0 GHAERO C[N@@H+](Cc1ccc(Br)nc1)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000095075346 222329291 /nfs/dbraw/zinc/32/92/91/222329291.db2.gz VVYMITYPMBRULD-AWEZNQCLSA-N 1 0 384.318 3.675 10 0 GHAERO CC(C)NC(=O)C[C@H]1CC2(CC[NH+](CC3CCOCC3)CC2)c2ccccc21 ZINC000096052654 222374465 /nfs/dbraw/zinc/37/44/65/222374465.db2.gz RTIMXHFWGFWEDZ-FQEVSTJZSA-N 1 0 384.564 3.849 10 0 GHAERO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000190430649 222565199 /nfs/dbraw/zinc/56/51/99/222565199.db2.gz ORRUZGYTYFDGEN-VXKWHMMOSA-N 1 0 392.503 3.887 10 0 GHAERO CCCOc1c(Br)cc(CNCCC[NH2+]C)cc1Br ZINC000020967542 570285656 /nfs/dbraw/zinc/28/56/56/570285656.db2.gz KYRBEGWNUFEHKK-UHFFFAOYSA-N 1 0 394.151 3.700 10 0 GHAERO C[C@@H]1CCCC[N@@H+]1CCCN1C(=O)c2ccccc2[C@H]1C(=O)NC1CCCCC1 ZINC000004676338 570982421 /nfs/dbraw/zinc/98/24/21/570982421.db2.gz LKWFZQSWOQEJPO-GCJKJVERSA-N 1 0 397.563 3.897 10 0 GHAERO COCC[NH2+]Cc1cc(Br)cc(Br)c1OC(C)C ZINC000040730040 570992015 /nfs/dbraw/zinc/99/20/15/570992015.db2.gz QUQUEPGMANFTTN-UHFFFAOYSA-N 1 0 381.108 3.735 10 0 GHAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccccc1-c1nc(C(C)(C)C)no1 ZINC000329632114 835476285 /nfs/dbraw/zinc/47/62/85/835476285.db2.gz IMELSAKZAWJLOH-CVEARBPZSA-N 1 0 382.508 3.733 10 0 GHAERO CC(C)c1noc(-c2ccccc2C(=O)N2CCC[N@@H+](C3CCCC3)CC2)n1 ZINC000329651304 835529481 /nfs/dbraw/zinc/52/94/81/835529481.db2.gz CSXZXJJCZRWNNU-UHFFFAOYSA-N 1 0 382.508 3.951 10 0 GHAERO CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000080086456 836553652 /nfs/dbraw/zinc/55/36/52/836553652.db2.gz OGCNEZIYNLRKBC-OAHLLOKOSA-N 1 0 375.488 3.557 10 0 GHAERO CC[C@H](C)Oc1ccc(NC(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000249772892 837095177 /nfs/dbraw/zinc/09/51/77/837095177.db2.gz LUJNPFBGYZGECR-IRXDYDNUSA-N 1 0 375.513 3.581 10 0 GHAERO Cc1nc(C)n(C[C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(Cl)c3C)C2)n1 ZINC000106179496 840669448 /nfs/dbraw/zinc/66/94/48/840669448.db2.gz APZYHZSDMLNNDY-PBHICJAKSA-N 1 0 389.931 3.596 10 0 GHAERO CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)c2)CC1 ZINC000120242226 840955111 /nfs/dbraw/zinc/95/51/11/840955111.db2.gz WSAJKLOTVZUMFV-VWNXMTODSA-N 1 0 399.579 3.755 10 0 GHAERO Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)N3C[C@H]4CCC[N@H+]4C[C@H]3C)c12 ZINC000247495827 842565884 /nfs/dbraw/zinc/56/58/84/842565884.db2.gz UPGQJSVWIOJXTA-CRAIPNDOSA-N 1 0 390.487 3.815 10 0 GHAERO Cc1c([C@H](C)[NH2+]C2CCN(c3ccc(C)cn3)CC2)cnn1-c1ccccn1 ZINC000163466079 842994923 /nfs/dbraw/zinc/99/49/23/842994923.db2.gz FPGXQLLBKHCHDC-KRWDZBQOSA-N 1 0 376.508 3.599 10 0 GHAERO C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cccc(F)c1F ZINC000162277646 843220306 /nfs/dbraw/zinc/22/03/06/843220306.db2.gz NQQMJDKDRMABSB-DOXZYTNZSA-N 1 0 388.462 3.631 10 0 GHAERO CCOC(=O)c1nc(-c2ccccc2)oc1CN1CC[C@H](Oc2cccnc2)C1 ZINC000154678591 849348904 /nfs/dbraw/zinc/34/89/04/849348904.db2.gz BFJZKCOIUJZRSW-SFHVURJKSA-N 1 0 393.443 3.567 10 0 GHAERO COc1ccc([C@@H](C)NC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)cc1F ZINC000101621472 851742678 /nfs/dbraw/zinc/74/26/78/851742678.db2.gz NUKUMOCWUFYVNQ-QAPCUYQASA-N 1 0 389.471 3.933 10 0 GHAERO COc1ccc([C@@H]2CCCCCN2C(=O)C[NH2+][C@H]2CCC(=O)NC23CCC3)cc1 ZINC000328680325 854507151 /nfs/dbraw/zinc/50/71/51/854507151.db2.gz BYWVLYRINPFKRD-PMACEKPBSA-N 1 0 399.535 3.770 10 0 GHAERO COc1ccccc1CC[N@H+](C)[C@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000104709276 856373530 /nfs/dbraw/zinc/37/35/30/856373530.db2.gz XCTCGCRKJZEMMW-MRXNPFEDSA-N 1 0 397.544 3.826 10 0 GHAERO CCOc1ccc([C@@H](C)NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1OC ZINC000156859360 857159262 /nfs/dbraw/zinc/15/92/62/857159262.db2.gz YEVFBYJIPGHKMQ-MJGOQNOKSA-N 1 0 389.540 3.815 10 0 GHAERO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1F ZINC000102699600 860570837 /nfs/dbraw/zinc/57/08/37/860570837.db2.gz KGVUBOZOFXOULJ-AWEZNQCLSA-N 1 0 396.466 3.926 10 0 GHAERO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(OC)c(F)c2)cc1OCC ZINC000102699513 860821963 /nfs/dbraw/zinc/82/19/63/860821963.db2.gz KFNCPEYOQBMTGY-AWEZNQCLSA-N 1 0 390.455 3.921 10 0 GHAERO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(OC)c(F)c2)cc1OCC ZINC000102699518 860822227 /nfs/dbraw/zinc/82/22/27/860822227.db2.gz KFNCPEYOQBMTGY-CQSZACIVSA-N 1 0 390.455 3.921 10 0 GHAERO COc1cc2c(cc1OC)CN(C(=O)C[NH2+][C@H](C)c1cccc(Cl)c1)CC2 ZINC000102686203 860838338 /nfs/dbraw/zinc/83/83/38/860838338.db2.gz XYWDTDJZSCPDHC-CQSZACIVSA-N 1 0 388.895 3.593 10 0 GHAERO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000102958888 860920785 /nfs/dbraw/zinc/92/07/85/860920785.db2.gz NTEFQLISFSVLRM-IEBWSBKVSA-N 1 0 387.524 3.774 10 0 GHAERO Cc1nc([C@H]2CCCCCN2C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)no1 ZINC000329044211 860971953 /nfs/dbraw/zinc/97/19/53/860971953.db2.gz PHBQZCATUXZQHA-NSISKUIASA-N 1 0 382.508 3.590 10 0 GHAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103095224 863862918 /nfs/dbraw/zinc/86/29/18/863862918.db2.gz NONTVTSFFDENRJ-OAQYLSRUSA-N 1 0 388.600 3.813 10 0 GHAERO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000103205262 863909511 /nfs/dbraw/zinc/90/95/11/863909511.db2.gz TZEYLOOMMFKRJK-SFHVURJKSA-N 1 0 392.478 3.510 10 0 GHAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@@H](c2ccccc2)c2ccncc2)C1 ZINC000103305451 863948815 /nfs/dbraw/zinc/94/88/15/863948815.db2.gz RBKCXPXFLAQRSG-JQVVWYNYSA-N 1 0 380.536 3.838 10 0 GHAERO C[NH+](C)[C@@H](CNC(=O)N[C@@H](c1ccccc1)c1ccncc1)c1ccc(F)cc1 ZINC000103308836 863951159 /nfs/dbraw/zinc/95/11/59/863951159.db2.gz YIWJNLOCKXAAIR-VXKWHMMOSA-N 1 0 392.478 3.912 10 0 GHAERO O=C(Nc1cccc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)c1)c1ccccc1Cl ZINC000106379914 866440525 /nfs/dbraw/zinc/44/05/25/866440525.db2.gz HCLCNQRGBNYRDO-LJQANCHMSA-N 1 0 399.922 3.545 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCc1ccc(Cl)s1 ZINC000172175956 882176310 /nfs/dbraw/zinc/17/63/10/882176310.db2.gz WGRJENIQLPGAOO-CJNGLKHVSA-N 1 0 378.929 3.506 10 0 GHAERO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H](c2nccs2)C1 ZINC000114777616 870173823 /nfs/dbraw/zinc/17/38/23/870173823.db2.gz AOMRXGPDPRQIKN-GOSISDBHSA-N 1 0 384.549 3.697 10 0 GHAERO O=C(CC[NH+]1CCC(n2cncn2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000174764918 882501074 /nfs/dbraw/zinc/50/10/74/882501074.db2.gz DVDMOYUMNDNGPR-UHFFFAOYSA-N 1 0 391.475 3.736 10 0 GHAERO O=C(NCCc1csc(-c2ccccc2)n1)N1CCC([NH+]2CCCC2)CC1 ZINC000175659820 882570796 /nfs/dbraw/zinc/57/07/96/882570796.db2.gz NKRBEAJHPUEWFZ-UHFFFAOYSA-N 1 0 384.549 3.622 10 0 GHAERO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2ncncc2Cl)cc1 ZINC000176536062 882712775 /nfs/dbraw/zinc/71/27/75/882712775.db2.gz ZZYLHYBDRIDZQY-UHFFFAOYSA-N 1 0 380.879 3.789 10 0 GHAERO Cc1nn(C)c(=O)c(-c2nc(CN3CC=C(c4ccccc4)CC3)cs2)c1C ZINC000176981616 882755835 /nfs/dbraw/zinc/75/58/35/882755835.db2.gz XWYPVXUTHXBQGQ-UHFFFAOYSA-N 1 0 392.528 3.810 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)CCO1 ZINC000178495616 882897829 /nfs/dbraw/zinc/89/78/29/882897829.db2.gz ZTOZVVAQQZXRHK-GFCCVEGCSA-N 1 0 390.833 3.684 10 0 GHAERO C[C@H](Nc1ccc(OC2CC[NH+](C)CC2)nc1)c1cccc(N2CCOC2=O)c1 ZINC000179740051 882997679 /nfs/dbraw/zinc/99/76/79/882997679.db2.gz APZXHQUFYLQTOJ-INIZCTEOSA-N 1 0 396.491 3.684 10 0 GHAERO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CC=C(c2cccs2)CC1 ZINC000179743464 883022729 /nfs/dbraw/zinc/02/27/29/883022729.db2.gz FGCRBXFNDLAZSN-UHFFFAOYSA-N 1 0 382.533 3.858 10 0 GHAERO Cc1cc(NC(=O)N2CCC([NH+]3CCCC3)CC2)nn1-c1ccccc1Cl ZINC000180152967 883063531 /nfs/dbraw/zinc/06/35/31/883063531.db2.gz YIVZQBWNCAWEMV-UHFFFAOYSA-N 1 0 387.915 3.926 10 0 GHAERO COc1cc(C[NH+]2CCC(Cc3nccn3C)CC2)c(SC)cc1OC ZINC000121757993 877708867 /nfs/dbraw/zinc/70/88/67/877708867.db2.gz JBYUBFCUHYPXGU-UHFFFAOYSA-N 1 0 375.538 3.614 10 0 GHAERO C[C@H]([NH2+]CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1ccncc1 ZINC000181588875 883165391 /nfs/dbraw/zinc/16/53/91/883165391.db2.gz DRXDAJMDDLHCJE-KSFYIVLOSA-N 1 0 377.513 3.968 10 0 GHAERO O=C(C1CC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)CC1)N(Cc1ccccc1)C1CC1 ZINC000182924648 883250780 /nfs/dbraw/zinc/25/07/80/883250780.db2.gz RVYQRHZJQARXIB-ZEQRLZLVSA-N 1 0 390.527 3.548 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccccc2C)c2ccc(F)cc2C1 ZINC000184528639 883352654 /nfs/dbraw/zinc/35/26/54/883352654.db2.gz KFXDNPYBJKZFSI-AOMKIAJQSA-N 1 0 397.494 3.934 10 0 GHAERO Cc1cc(Br)c(F)cc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000184828773 883385269 /nfs/dbraw/zinc/38/52/69/883385269.db2.gz SNDFTMBCZKBLHY-UHFFFAOYSA-N 1 0 384.293 3.989 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccccc2)c2ccc(F)cc2C1 ZINC000185365128 883442708 /nfs/dbraw/zinc/44/27/08/883442708.db2.gz TYLBZTLCQTZVAO-BTYIYWSLSA-N 1 0 383.467 3.626 10 0 GHAERO CN1CCC[C@H](C[NH2+][C@@H]2CCS(=O)(=O)c3ccccc32)[C@@H]1c1cccs1 ZINC000186212319 883623707 /nfs/dbraw/zinc/62/37/07/883623707.db2.gz DDNDBMXQDZJFSU-WRWLIDTKSA-N 1 0 390.574 3.639 10 0 GHAERO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)c1 ZINC000186589844 883667688 /nfs/dbraw/zinc/66/76/88/883667688.db2.gz OJABXEYWZSKBLI-UHFFFAOYSA-N 1 0 395.507 3.827 10 0 GHAERO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186631299 883676592 /nfs/dbraw/zinc/67/65/92/883676592.db2.gz KGKVVNMEHGYGIJ-UHFFFAOYSA-N 1 0 395.507 3.826 10 0 GHAERO C[C@@H]([NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)c(F)c1 ZINC000102688059 884255264 /nfs/dbraw/zinc/25/52/64/884255264.db2.gz VDPHHZNSXFKFDY-CQSZACIVSA-N 1 0 387.430 3.771 10 0 GHAERO CCN(Cc1ccccc1C)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116569622 886368136 /nfs/dbraw/zinc/36/81/36/886368136.db2.gz BXFRXTNNFOXAIA-UGKGYDQZSA-N 1 0 380.536 3.832 10 0 GHAERO O=C1CC[C@@H]2C[N@H+](C[C@H](O)c3ccc(Cl)cc3Cl)CC[C@H]2N1C1CC1 ZINC000120191644 886503642 /nfs/dbraw/zinc/50/36/42/886503642.db2.gz IYPZSQXYVZCMIT-PJSAGSTRSA-N 1 0 383.319 3.502 10 0 GHAERO CC(C)c1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000124165900 886712012 /nfs/dbraw/zinc/71/20/12/886712012.db2.gz YUPWMSRKGLUQAP-OAHLLOKOSA-N 1 0 390.963 3.894 10 0 GHAERO CN1c2ccc(NC(=O)NCc3ccc(C[NH+]4CCCC4)cc3)cc2CCC1=O ZINC000105052161 887363942 /nfs/dbraw/zinc/36/39/42/887363942.db2.gz YGIYRPHLCKMMLX-UHFFFAOYSA-N 1 0 392.503 3.513 10 0 GHAERO CN(Cc1nc(C(F)(F)F)cs1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000245665373 889188616 /nfs/dbraw/zinc/18/86/16/889188616.db2.gz QXDGHUKKUCDJDF-CZUORRHYSA-N 1 0 398.454 3.749 10 0 GHAERO C[N@@H+]1CC[C@H](CNC(=O)NCCCC(C)(C)CO)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245735461 889564917 /nfs/dbraw/zinc/56/49/17/889564917.db2.gz UQTJRCJXILZDQB-QAPCUYQASA-N 1 0 399.938 3.570 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc(-c2ncco2)cc1 ZINC000245852712 889866708 /nfs/dbraw/zinc/86/67/08/889866708.db2.gz DBLJHOARZYDERN-OXQOHEQNSA-N 1 0 391.475 3.769 10 0 GHAERO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)C1 ZINC000246053572 890261514 /nfs/dbraw/zinc/26/15/14/890261514.db2.gz WLGUBQGEBUZYCZ-UZLBHIALSA-N 1 0 393.959 3.527 10 0 GHAERO O=C(C[C@@H](O)c1ccc(Cl)cc1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000246547071 891284737 /nfs/dbraw/zinc/28/47/37/891284737.db2.gz WGJLDALWNTXXND-DNVCBOLYSA-N 1 0 392.952 3.853 10 0 GHAERO COc1c(C)ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1C ZINC000247014956 891333464 /nfs/dbraw/zinc/33/34/64/891333464.db2.gz MOIRVVBBPQNDAO-APWZRJJASA-N 1 0 382.508 3.739 10 0 GHAERO COc1ccccc1C(C)(C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247037198 891336485 /nfs/dbraw/zinc/33/64/85/891336485.db2.gz NUCBYJLFZQLJLH-YLJYHZDGSA-N 1 0 396.535 3.535 10 0 GHAERO Cc1ccccc1NC(=O)Cc1nc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cs1 ZINC000247312513 891364977 /nfs/dbraw/zinc/36/49/77/891364977.db2.gz VOLRWJNRNIAFPK-FXAWDEMLSA-N 1 0 398.576 3.549 10 0 GHAERO C[C@H](SCc1ccccc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247328324 891366874 /nfs/dbraw/zinc/36/68/74/891366874.db2.gz XZZSJDOSFPEOIJ-LVCYWYKZSA-N 1 0 383.561 3.730 10 0 GHAERO C[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCCO1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000247115526 891371676 /nfs/dbraw/zinc/37/16/76/891371676.db2.gz UDESSFDPHLIYBJ-BOUXLOLZSA-N 1 0 377.481 3.800 10 0 GHAERO Cc1ccc(C[C@H](C)NC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000247416221 891374989 /nfs/dbraw/zinc/37/49/89/891374989.db2.gz UDOSKJGFJAPXHX-GUXCAODWSA-N 1 0 386.565 3.592 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1cccc2cccnc21 ZINC000247562419 891386518 /nfs/dbraw/zinc/38/65/18/891386518.db2.gz UZNXAGQOWPKKQM-VQIMIIECSA-N 1 0 375.476 3.662 10 0 GHAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)[C@@H]1c1ccccc1 ZINC000247924198 891400508 /nfs/dbraw/zinc/40/05/08/891400508.db2.gz CHZOBXKHLVUVML-RTWAWAEBSA-N 1 0 393.531 3.524 10 0 GHAERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccccc3NC(=O)c3ccsc3)CC[C@H]21 ZINC000247992808 891405603 /nfs/dbraw/zinc/40/56/03/891405603.db2.gz JOJUAXDXIJHDQN-HNAYVOBHSA-N 1 0 383.517 3.557 10 0 GHAERO CN1CC[C@H]([NH2+][C@H]2CCS(=O)(=O)c3ccccc32)[C@H]1c1ccc(Cl)cc1 ZINC000248558923 891428985 /nfs/dbraw/zinc/42/89/85/891428985.db2.gz LZSPTCAKLRXDSX-CMKODMSKSA-N 1 0 390.936 3.594 10 0 GHAERO COc1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ccc1Cl ZINC000248637459 891450308 /nfs/dbraw/zinc/45/03/08/891450308.db2.gz AGYQJFAERHJCLO-KBXCAEBGSA-N 1 0 388.899 3.776 10 0 GHAERO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000248815135 891471365 /nfs/dbraw/zinc/47/13/65/891471365.db2.gz KWLIGRSVABNWNP-CSMYWGQOSA-N 1 0 381.314 3.713 10 0 GHAERO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000248891006 891480070 /nfs/dbraw/zinc/48/00/70/891480070.db2.gz SQODQQBBIALZIK-ISTRZQFTSA-N 1 0 386.414 3.850 10 0 GHAERO CN(Cc1ccco1)Cc1ccccc1CNC(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000248946914 891483268 /nfs/dbraw/zinc/48/32/68/891483268.db2.gz ZJZBYJQZIFHTQN-RBBKRZOGSA-N 1 0 397.519 3.668 10 0 GHAERO CCc1nccn1[C@@H]1CCCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](CC)C2)C1 ZINC000252463260 892359235 /nfs/dbraw/zinc/35/92/35/892359235.db2.gz WBOCDEFNFABMBE-RTBURBONSA-N 1 0 389.588 3.693 10 0 GHAERO Cc1c(NC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cccc1C(F)(F)F ZINC000333115593 899973881 /nfs/dbraw/zinc/97/38/81/899973881.db2.gz HGDKZCAUAZIAPL-DOTOQJQBSA-N 1 0 385.430 3.764 10 0 GHAERO CSc1ccc(Cl)cc1NC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333116220 899973973 /nfs/dbraw/zinc/97/39/73/899973973.db2.gz HKNQSEGTCJZVGX-WMLDXEAASA-N 1 0 383.945 3.812 10 0 GHAERO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000333131878 899986727 /nfs/dbraw/zinc/98/67/27/899986727.db2.gz JRBODLCDYPSMHW-JKSUJKDBSA-N 1 0 389.393 3.595 10 0 GHAERO O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000333180530 900016593 /nfs/dbraw/zinc/01/65/93/900016593.db2.gz RUGJMGMHALBVBO-UHFFFAOYSA-N 1 0 377.488 3.896 10 0 GHAERO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1cnn(-c2ccc(F)cc2)c1 ZINC000333200813 900031523 /nfs/dbraw/zinc/03/15/23/900031523.db2.gz ZAXGGZYJOHHVGY-VPZAWKCMSA-N 1 0 398.526 3.945 10 0 GHAERO O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333447634 902097199 /nfs/dbraw/zinc/09/71/99/902097199.db2.gz XBFKTJYFPNWLRE-UXHICEINSA-N 1 0 383.536 3.997 10 0 GHAERO CCN(C)C(=O)c1cccc(C(=O)OCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000103803617 911062352 /nfs/dbraw/zinc/06/23/52/911062352.db2.gz PIXVJXLZXAPFDM-UHFFFAOYSA-N 1 0 394.515 3.848 10 0 GHAERO CCCC[C@H]1C[N@H+](CCC(=O)NCc2cccc(C)n2)Cc2ccccc2O1 ZINC000011881986 221134160 /nfs/dbraw/zinc/13/41/60/221134160.db2.gz ARBGBRBWRTVOOU-NRFANRHFSA-N 1 0 381.520 3.850 10 0 GHAERO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)CCC(=O)c2ccc(F)cc2)C1 ZINC000012435599 221193683 /nfs/dbraw/zinc/19/36/83/221193683.db2.gz IRFCKJMRWVMXOM-OAQYLSRUSA-N 1 0 397.494 3.697 10 0 GHAERO CCCOc1c(Br)cc(C[NH2+]CCOC)cc1Br ZINC000020926907 570284996 /nfs/dbraw/zinc/28/49/96/570284996.db2.gz AXQCFRBPTKANIP-UHFFFAOYSA-N 1 0 381.108 3.736 10 0 GHAERO CCCOc1c(Br)cc(C[NH2+]C[C@H]2CCCN2CC)cc1OC ZINC000020968252 570288708 /nfs/dbraw/zinc/28/87/08/570288708.db2.gz JRTORPWMUBYNBI-OAHLLOKOSA-N 1 0 385.346 3.820 10 0 GHAERO CCCOc1c(Br)cc(C[NH2+]C[C@@H]2CCCN2CC)cc1OC ZINC000020968248 570288574 /nfs/dbraw/zinc/28/85/74/570288574.db2.gz JRTORPWMUBYNBI-HNNXBMFYSA-N 1 0 385.346 3.820 10 0 GHAERO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccn1CCc1ccccn1 ZINC000004307451 570366619 /nfs/dbraw/zinc/36/66/19/570366619.db2.gz DUFBBJZWGOTZQP-UHFFFAOYSA-N 1 0 388.515 3.520 10 0 GHAERO COc1cc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)cc(OC)c1OC ZINC000157476355 834934927 /nfs/dbraw/zinc/93/49/27/834934927.db2.gz SRLDSUPUIXHTNJ-UWVAXJGDSA-N 1 0 399.535 3.669 10 0 GHAERO COc1cccc(CN(CC[NH+](C)C)C(=O)/C=C\c2ccnc3ccccc23)c1 ZINC000588585107 835168537 /nfs/dbraw/zinc/16/85/37/835168537.db2.gz NJQIVYNCOAIDGI-QXMHVHEDSA-N 1 0 389.499 3.847 10 0 GHAERO Cc1cc(Br)cc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)c1 ZINC000329654269 835538891 /nfs/dbraw/zinc/53/88/91/835538891.db2.gz FFUXWYBNXJEPDH-YOEHRIQHSA-N 1 0 378.270 3.733 10 0 GHAERO c1ccc(-c2noc([C@@]34CCC[C@@H]3C[N@@H+](CCO[C@@H]3CCCCO3)C4)n2)cc1 ZINC000328602659 836502665 /nfs/dbraw/zinc/50/26/65/836502665.db2.gz HCWQWXAVQOXLNE-WOIUINJBSA-N 1 0 383.492 3.633 10 0 GHAERO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000247593954 842958307 /nfs/dbraw/zinc/95/83/07/842958307.db2.gz JZWLOFZYVJBBAU-UXHICEINSA-N 1 0 381.524 3.701 10 0 GHAERO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)[C@H]3CCCc4c(O)cccc43)C1)CCCC2 ZINC000276841359 843509818 /nfs/dbraw/zinc/50/98/18/843509818.db2.gz HBDBQNWEPRGGMM-APWZRJJASA-N 1 0 379.504 3.669 10 0 GHAERO Cc1cccc([C@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)c2ccccn2)c1 ZINC000152712974 847647490 /nfs/dbraw/zinc/64/74/90/847647490.db2.gz SVHVSNWSJSEVKW-QFIPXVFZSA-N 1 0 378.520 3.749 10 0 GHAERO Clc1cc(C[NH2+]C2CCN(c3ncccn3)CC2)ccc1Br ZINC000192165933 861833789 /nfs/dbraw/zinc/83/37/89/861833789.db2.gz ZCUUACOZTJRKRH-UHFFFAOYSA-N 1 0 381.705 3.651 10 0 GHAERO O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)N1CCC([NH+]2CCCC2)CC1 ZINC000155828966 849661944 /nfs/dbraw/zinc/66/19/44/849661944.db2.gz APGSETUKZZVKNH-INIZCTEOSA-N 1 0 391.384 3.838 10 0 GHAERO Cc1c([C@@H](C)[NH2+]C2CCN(c3ncccn3)CC2)cnn1-c1cccc(Cl)c1 ZINC000155878844 849674927 /nfs/dbraw/zinc/67/49/27/849674927.db2.gz XKEOEZWEAHGSQR-OAHLLOKOSA-N 1 0 396.926 3.944 10 0 GHAERO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(-c3ccc(F)cc3)c2)[C@H]1C ZINC000330129384 862599126 /nfs/dbraw/zinc/59/91/26/862599126.db2.gz JYKSCRYQOBDHTJ-PCIJJRPDSA-N 1 0 398.526 3.945 10 0 GHAERO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000102928772 860903641 /nfs/dbraw/zinc/90/36/41/860903641.db2.gz YUURBGUGLYRGJY-IBGZPJMESA-N 1 0 380.444 3.784 10 0 GHAERO COc1ccc([C@H](C)NC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1OC ZINC000177373365 863326334 /nfs/dbraw/zinc/32/63/34/863326334.db2.gz OLNMJQTZHFIMHI-INIZCTEOSA-N 1 0 389.540 3.861 10 0 GHAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103095227 863863201 /nfs/dbraw/zinc/86/32/01/863863201.db2.gz NONTVTSFFDENRJ-NRFANRHFSA-N 1 0 388.600 3.813 10 0 GHAERO Cc1cccc2[nH]cc(CCNC(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)c21 ZINC000103176611 863900878 /nfs/dbraw/zinc/90/08/78/863900878.db2.gz AUYZNXVREHVMEV-LJQANCHMSA-N 1 0 380.492 3.748 10 0 GHAERO C[NH+](C)[C@H](CNC(=O)N[C@@H](c1ccccc1)c1ccncc1)c1ccc(F)cc1 ZINC000103308837 863951779 /nfs/dbraw/zinc/95/17/79/863951779.db2.gz YIWJNLOCKXAAIR-YADHBBJMSA-N 1 0 392.478 3.912 10 0 GHAERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000103310352 863952938 /nfs/dbraw/zinc/95/29/38/863952938.db2.gz HBCHESNMKCEEPR-MOXWOTFGSA-N 1 0 380.536 3.837 10 0 GHAERO COc1ccccc1CCN(C)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000103859989 864099582 /nfs/dbraw/zinc/09/95/82/864099582.db2.gz SVIWIMZQPZEMJV-RTBURBONSA-N 1 0 375.557 3.637 10 0 GHAERO O=C(NCCCC[NH+]1CCOCC1)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000103859803 864099691 /nfs/dbraw/zinc/09/96/91/864099691.db2.gz PSNIMOUUIYIEES-LJQANCHMSA-N 1 0 379.932 3.593 10 0 GHAERO CC[NH+](CC)[C@H](C(=O)N1CCC(c2nnc3ccccn32)CC1)c1ccccc1 ZINC000104138730 864159482 /nfs/dbraw/zinc/15/94/82/864159482.db2.gz NTRPLJRZGBWBQI-NRFANRHFSA-N 1 0 391.519 3.518 10 0 GHAERO COc1ccc([C@H](C)[NH2+]C2CCN(c3ncccn3)CC2)cc1Br ZINC000192972850 865080525 /nfs/dbraw/zinc/08/05/25/865080525.db2.gz QTVCQKGDCYEAIY-ZDUSSCGKSA-N 1 0 391.313 3.567 10 0 GHAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000113230421 866752976 /nfs/dbraw/zinc/75/29/76/866752976.db2.gz QJOOJENKZRNEGC-OXQOHEQNSA-N 1 0 378.476 3.639 10 0 GHAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)c3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000173276091 882344536 /nfs/dbraw/zinc/34/45/36/882344536.db2.gz SHDMIPZRDVMRRX-QHCPKHFHSA-N 1 0 377.532 3.596 10 0 GHAERO Cc1c2cccc(Cl)c2oc1C(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000173284023 882345692 /nfs/dbraw/zinc/34/56/92/882345692.db2.gz WQRWMYQQCBZQQG-INIZCTEOSA-N 1 0 389.927 3.637 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc2ccn(C)c2c1 ZINC000173839890 882407981 /nfs/dbraw/zinc/40/79/81/882407981.db2.gz MQCPLSNUESCYSL-UZLBHIALSA-N 1 0 377.492 3.605 10 0 GHAERO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2c(Cl)n(C)nc2-c2ccccc2)C1 ZINC000092706529 882420658 /nfs/dbraw/zinc/42/06/58/882420658.db2.gz CHVTXFJEOLFCSR-INIZCTEOSA-N 1 0 388.943 3.725 10 0 GHAERO O=C(Nc1cccc(F)c1)c1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000105009493 870608080 /nfs/dbraw/zinc/60/80/80/870608080.db2.gz UREKXJYEHXXQQJ-HXUWFJFHSA-N 1 0 396.466 3.780 10 0 GHAERO Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000174915267 882508222 /nfs/dbraw/zinc/50/82/22/882508222.db2.gz PYFJXZFMGLROIX-CQSZACIVSA-N 1 0 385.430 3.731 10 0 GHAERO C[C@@H](NC(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(C)(C)C ZINC000175531075 882594253 /nfs/dbraw/zinc/59/42/53/882594253.db2.gz SBWMWLFZTAMYCM-XLIONFOSSA-N 1 0 375.557 3.508 10 0 GHAERO CN(C)c1nc(-c2ccccc2)c(C[NH+]2CCC(N3CCCCC3=O)CC2)s1 ZINC000093741783 882602362 /nfs/dbraw/zinc/60/23/62/882602362.db2.gz KHUZPLHKFUYNEB-UHFFFAOYSA-N 1 0 398.576 3.853 10 0 GHAERO Cc1[nH]c2ccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cc2c1C ZINC000116246596 873368255 /nfs/dbraw/zinc/36/82/55/873368255.db2.gz MVHZJSIGLFFLTQ-YCRPNKLZSA-N 1 0 376.504 3.820 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000116251711 873369790 /nfs/dbraw/zinc/36/97/90/873369790.db2.gz ZFDMTIQGYBWNJP-KSSFIOAISA-N 1 0 377.410 3.741 10 0 GHAERO COc1ccc([C@H](C)CC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000176606285 882718931 /nfs/dbraw/zinc/71/89/31/882718931.db2.gz KUBDCAQRAHKUJS-FGSXEWAUSA-N 1 0 381.520 3.611 10 0 GHAERO COc1cc(OC)cc([C@H]2CCN(C(=O)Nc3cccc(C[NH+](C)C)c3)C2)c1 ZINC000177260978 882778621 /nfs/dbraw/zinc/77/86/21/882778621.db2.gz SSBVUKVUOJPROY-KRWDZBQOSA-N 1 0 383.492 3.787 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000177306785 882818653 /nfs/dbraw/zinc/81/86/53/882818653.db2.gz QIKDXMGNNBRJQM-IERDGZPVSA-N 1 0 392.503 3.633 10 0 GHAERO Cc1c([C@@H](C)[NH2+]Cc2cccnc2-n2cncn2)cnn1-c1cc(C)ccc1C ZINC000178048511 882859279 /nfs/dbraw/zinc/85/92/79/882859279.db2.gz MZJMDVKKDVIGNW-QGZVFWFLSA-N 1 0 387.491 3.624 10 0 GHAERO C[C@H]1C[C@H]([NH2+]Cc2cccnc2-n2cncn2)c2cccc(Br)c21 ZINC000178055079 882860339 /nfs/dbraw/zinc/86/03/39/882860339.db2.gz HPKQHVJABQBABW-LRDDRELGSA-N 1 0 384.281 3.763 10 0 GHAERO CC(C)Cn1cc(C(F)F)c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)n1 ZINC000179427865 882998588 /nfs/dbraw/zinc/99/85/88/882998588.db2.gz HKJHWVMBTWFOPQ-FUHWJXTLSA-N 1 0 376.451 3.652 10 0 GHAERO Fc1ccc(COc2cccc(C[NH2+]Cc3cccnc3-n3cncn3)c2)cc1 ZINC000179847627 883033956 /nfs/dbraw/zinc/03/39/56/883033956.db2.gz DGNXMGWTPUHVAA-UHFFFAOYSA-N 1 0 389.434 3.670 10 0 GHAERO O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)N1CCC([NH+]2CCCC2)CC1 ZINC000180332919 883074909 /nfs/dbraw/zinc/07/49/09/883074909.db2.gz HXCJUHVGZKITDD-UHFFFAOYSA-N 1 0 391.475 3.982 10 0 GHAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000180826656 883101345 /nfs/dbraw/zinc/10/13/45/883101345.db2.gz FZEMNHPNIMFEKL-QWHCGFSZSA-N 1 0 389.849 3.856 10 0 GHAERO c1sc(CCC[NH2+]C2CCN(Cc3cccnc3)CC2)nc1-c1ccncc1 ZINC000180846790 883103874 /nfs/dbraw/zinc/10/38/74/883103874.db2.gz NBNLBBZVXPEYEE-UHFFFAOYSA-N 1 0 393.560 3.787 10 0 GHAERO O=C(Nc1cc(F)c(Br)cc1F)N1CCC([NH+]2CCCC2)CC1 ZINC000121831829 877891157 /nfs/dbraw/zinc/89/11/57/877891157.db2.gz IVBYSJFYZASIAE-UHFFFAOYSA-N 1 0 388.256 3.819 10 0 GHAERO FC(F)(F)Oc1ccccc1CC[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000181280804 883132876 /nfs/dbraw/zinc/13/28/76/883132876.db2.gz RPTWEZMTFWGIOQ-UHFFFAOYSA-N 1 0 379.426 3.777 10 0 GHAERO CC(=O)N1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccccc2C)c2ccc(F)cc2C1 ZINC000184528583 883352937 /nfs/dbraw/zinc/35/29/37/883352937.db2.gz KFXDNPYBJKZFSI-OPAMFIHVSA-N 1 0 397.494 3.934 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1scnc1C1CCCC1 ZINC000184896800 883390417 /nfs/dbraw/zinc/39/04/17/883390417.db2.gz KTYMMHLDMQMRRC-YJBOKZPZSA-N 1 0 384.549 3.836 10 0 GHAERO O=S1(=O)CC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)c2ccccc21 ZINC000186305454 883630716 /nfs/dbraw/zinc/63/07/16/883630716.db2.gz MTDRYOAEJMDVLI-UGSOOPFHSA-N 1 0 394.899 3.566 10 0 GHAERO C[C@@H](CCNC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)[N@H+](C)Cc1ccccc1 ZINC000186595782 883667461 /nfs/dbraw/zinc/66/74/61/883667461.db2.gz UHTQTJVAYVLBLJ-INIZCTEOSA-N 1 0 395.507 3.696 10 0 GHAERO CN1Cc2cc(NC(=O)N3CCC[C@@H](C[NH+]4CCCCCC4)C3)ccc2NC1=O ZINC000186691684 883687761 /nfs/dbraw/zinc/68/77/61/883687761.db2.gz BOCOJYHAHUZBNG-KRWDZBQOSA-N 1 0 399.539 3.784 10 0 GHAERO COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188441024 883850620 /nfs/dbraw/zinc/85/06/20/883850620.db2.gz WLAJYHVCLCDBPK-UHFFFAOYSA-N 1 0 396.422 3.556 10 0 GHAERO CC1(C(=O)N2CCC(Nc3nccs3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000189360775 883940318 /nfs/dbraw/zinc/94/03/18/883940318.db2.gz LCOMBSCMDKRKQQ-UHFFFAOYSA-N 1 0 398.576 3.848 10 0 GHAERO O=C(Nc1c(F)cc(F)cc1Br)N1CCC([NH+]2CCCC2)CC1 ZINC000192279565 884247258 /nfs/dbraw/zinc/24/72/58/884247258.db2.gz SEEMECFQRYOOMC-UHFFFAOYSA-N 1 0 388.256 3.819 10 0 GHAERO CC(C)[NH+]1CCC(NC(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)CC1 ZINC000113579165 886296530 /nfs/dbraw/zinc/29/65/30/886296530.db2.gz KUIREUOIVUIBSU-IBGZPJMESA-N 1 0 395.551 3.839 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000116250866 886358304 /nfs/dbraw/zinc/35/83/04/886358304.db2.gz NXOJTDPWPDRQHE-LPHOPBHVSA-N 1 0 395.551 3.551 10 0 GHAERO COc1ccccc1CCN(C)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000105129779 886374908 /nfs/dbraw/zinc/37/49/08/886374908.db2.gz SLXOLUVILFOXGC-OAQYLSRUSA-N 1 0 381.520 3.716 10 0 GHAERO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NC2CCC(O)CC2)cc1 ZINC000047633795 887352802 /nfs/dbraw/zinc/35/28/02/887352802.db2.gz YGORJWJRHOFUNR-UHFFFAOYSA-N 1 0 381.520 3.518 10 0 GHAERO COc1cc(F)c(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1OC ZINC000130747070 887469315 /nfs/dbraw/zinc/46/93/15/887469315.db2.gz PKZAIAWXDHOZGR-OAHLLOKOSA-N 1 0 386.467 3.798 10 0 GHAERO COc1cc(F)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000133424993 887764207 /nfs/dbraw/zinc/76/42/07/887764207.db2.gz AUICGKPFTVUKTQ-DOTOQJQBSA-N 1 0 386.467 3.626 10 0 GHAERO Cc1c(NC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cccc1C(F)(F)F ZINC000135204963 887956584 /nfs/dbraw/zinc/95/65/84/887956584.db2.gz JQKJCHRKOSBBSM-ZDUSSCGKSA-N 1 0 385.430 3.731 10 0 GHAERO CN1CC[NH+]([C@@H]2CCCCN(Cc3coc(-c4cccc(Cl)c4)n3)C2)CC1 ZINC000136065013 888273757 /nfs/dbraw/zinc/27/37/57/888273757.db2.gz HINUPOWDMZFZGD-HXUWFJFHSA-N 1 0 388.943 3.597 10 0 GHAERO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000056983386 888383956 /nfs/dbraw/zinc/38/39/56/888383956.db2.gz ZPIIFGBMCSQRCJ-UHFFFAOYSA-N 1 0 387.524 3.882 10 0 GHAERO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)Nc2ccc3c(c2)C[N@@H+](C)C3)c1 ZINC000194513972 888609213 /nfs/dbraw/zinc/60/92/13/888609213.db2.gz NRYBRPBPIXNMMU-MRXNPFEDSA-N 1 0 394.519 3.553 10 0 GHAERO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CCC[C@H](c2nccs2)C1 ZINC000195342565 888681033 /nfs/dbraw/zinc/68/10/33/888681033.db2.gz ZZMAKYKYYNJZJG-IRXDYDNUSA-N 1 0 384.549 3.950 10 0 GHAERO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCC[C@H](c2nccs2)C1 ZINC000195346664 888681510 /nfs/dbraw/zinc/68/15/10/888681510.db2.gz ISZGXCLJLVNGFU-KBPBESRZSA-N 1 0 381.509 3.595 10 0 GHAERO Cc1nc(-c2ccccc2)oc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000245463998 888760009 /nfs/dbraw/zinc/76/00/09/888760009.db2.gz PDVQVSHNQHSBPV-UZLBHIALSA-N 1 0 390.487 3.685 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)C1(c2ccc(F)cc2F)CCC1 ZINC000245565462 888965836 /nfs/dbraw/zinc/96/58/36/888965836.db2.gz PNVIQGSDPAGYMO-IIBYNOLFSA-N 1 0 399.485 3.808 10 0 GHAERO Cc1nnc([C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccccc2)[nH]1 ZINC000245718979 889480390 /nfs/dbraw/zinc/48/03/90/889480390.db2.gz OMBWUZNCMBXFOJ-GPJHCHHRSA-N 1 0 387.531 3.988 10 0 GHAERO COc1cc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2O)ccc1OCc1ccncc1 ZINC000245963198 890091040 /nfs/dbraw/zinc/09/10/40/890091040.db2.gz YOOGVOCGECGWOP-VZDNWZCBSA-N 1 0 390.483 3.978 10 0 GHAERO CC1(C)[C@H]([NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)[C@H]2CCCO[C@H]21 ZINC000245963304 890093365 /nfs/dbraw/zinc/09/33/65/890093365.db2.gz YQMKDECFOIWGHM-NJDAHSKKSA-N 1 0 394.519 3.697 10 0 GHAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000245973908 890113611 /nfs/dbraw/zinc/11/36/11/890113611.db2.gz FZEMNHPNIMFEKL-STQMWFEESA-N 1 0 389.849 3.856 10 0 GHAERO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000246279837 890927526 /nfs/dbraw/zinc/92/75/26/890927526.db2.gz BJWKUXIEKYDBAS-DCPHZVHLSA-N 1 0 375.538 3.676 10 0 GHAERO C[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)Cc1cccs1 ZINC000246551119 891285805 /nfs/dbraw/zinc/28/58/05/891285805.db2.gz YRARUINNQHFOGB-ABSDTBQOSA-N 1 0 386.565 3.532 10 0 GHAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2ncc(-c3ccccc3Cl)o2)C1 ZINC000246871032 891319532 /nfs/dbraw/zinc/31/95/32/891319532.db2.gz UQCNLYKBVTXVLO-YJBOKZPZSA-N 1 0 387.911 3.870 10 0 GHAERO CSc1ccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246886151 891320575 /nfs/dbraw/zinc/32/05/75/891320575.db2.gz GISIRZCLUHCKSM-OXQOHEQNSA-N 1 0 384.549 3.513 10 0 GHAERO CSc1ccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000246886129 891320925 /nfs/dbraw/zinc/32/09/25/891320925.db2.gz GISIRZCLUHCKSM-OXJNMPFZSA-N 1 0 384.549 3.513 10 0 GHAERO CCN(C)C(=O)c1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000247008544 891331824 /nfs/dbraw/zinc/33/18/24/891331824.db2.gz LMUGPWSHPMXQPZ-PGRDOPGGSA-N 1 0 393.531 3.561 10 0 GHAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccc2c(c1)OCCCO2 ZINC000247067000 891341014 /nfs/dbraw/zinc/34/10/14/891341014.db2.gz OBTALCWTGZUIAG-LVCYWYKZSA-N 1 0 381.520 3.804 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C[C@H]1CCCc2ccccc21 ZINC000247281899 891361751 /nfs/dbraw/zinc/36/17/51/891361751.db2.gz SIJUFZLWYIXZBA-XQFWAAQXSA-N 1 0 377.532 3.918 10 0 GHAERO COc1ccccc1C[C@H](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000247323623 891366722 /nfs/dbraw/zinc/36/67/22/891366722.db2.gz XNZMSTVUJYPVKR-CNNODRBYSA-N 1 0 395.547 3.686 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000247339707 891369870 /nfs/dbraw/zinc/36/98/70/891369870.db2.gz ZFDMTIQGYBWNJP-KBXCAEBGSA-N 1 0 377.410 3.741 10 0 GHAERO Cc1cccnc1[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000247560550 891385820 /nfs/dbraw/zinc/38/58/20/891385820.db2.gz USUFQCBVLKDHQZ-HMXCVIKNSA-N 1 0 395.551 3.692 10 0 GHAERO CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247586088 891387778 /nfs/dbraw/zinc/38/77/78/891387778.db2.gz ZPCBXSYTOCVYBQ-XMSQKQJNSA-N 1 0 396.535 3.532 10 0 GHAERO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c(C)n1Cc1ccccn1 ZINC000248073228 891408989 /nfs/dbraw/zinc/40/89/89/891408989.db2.gz QUHVDNVVPPSTOA-GOTSBHOMSA-N 1 0 388.515 3.723 10 0 GHAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2COC2CCOCC2)[C@H]1c1ccccc1 ZINC000248146514 891412596 /nfs/dbraw/zinc/41/25/96/891412596.db2.gz ZRMXNGUUCXEYAJ-DHIUTWEWSA-N 1 0 394.515 3.557 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1scnc1C1CCCC1 ZINC000248426346 891434378 /nfs/dbraw/zinc/43/43/78/891434378.db2.gz KTYMMHLDMQMRRC-CRAIPNDOSA-N 1 0 384.549 3.836 10 0 GHAERO CCCOc1cc(OC)ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248882138 891477883 /nfs/dbraw/zinc/47/78/83/891477883.db2.gz GKQUVJNSWLWUJL-UTKZUKDTSA-N 1 0 397.519 3.519 10 0 GHAERO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000333202211 900032338 /nfs/dbraw/zinc/03/23/38/900032338.db2.gz YDWPYGAVUQWSIX-GZBLMMOJSA-N 1 0 387.549 3.676 10 0 GHAERO CC1(C)CCc2ccccc2[C@@H]1NC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333378245 902048046 /nfs/dbraw/zinc/04/80/46/902048046.db2.gz NGMKMRLEJCCEJZ-NJYVYQBISA-N 1 0 385.552 3.628 10 0 GHAERO C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)C1 ZINC000328621811 212085706 /nfs/dbraw/zinc/08/57/06/212085706.db2.gz HZABDHOQUGOINU-GUXOUSEOSA-N 1 0 380.536 3.502 10 0 GHAERO CC(C)(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cn4cc(Cl)ccc4n3)C2)C1 ZINC000012302638 221178186 /nfs/dbraw/zinc/17/81/86/221178186.db2.gz URQWKVCIHPLSCT-OAQYLSRUSA-N 1 0 388.943 3.962 10 0 GHAERO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CCc2nc3cc(F)ccc3[nH]2)C1 ZINC000012446638 221197007 /nfs/dbraw/zinc/19/70/07/221197007.db2.gz PJOIHBWFIDSCEE-IBGZPJMESA-N 1 0 394.494 3.758 10 0 GHAERO Cc1cc(C[N@@H+]2CCC[C@@H](COc3ccc(C)cc3)C2)c(C)n1-n1cnnc1 ZINC000055402597 222022153 /nfs/dbraw/zinc/02/21/53/222022153.db2.gz DVMPPCWVZKVILP-HXUWFJFHSA-N 1 0 379.508 3.607 10 0 GHAERO Brc1ccc(Cn2c3ccccc3nc2N2CCC[NH2+]CC2)cc1 ZINC000095079484 222328850 /nfs/dbraw/zinc/32/88/50/222328850.db2.gz IHCLVUPPJXZXEK-UHFFFAOYSA-N 1 0 385.309 3.647 10 0 GHAERO CCCOc1c(CNC[C@@H]2CCC[N@@H+]2CC)cc(Br)cc1OC ZINC000020968388 570285577 /nfs/dbraw/zinc/28/55/77/570285577.db2.gz JSJKMMOAMBTGMF-INIZCTEOSA-N 1 0 385.346 3.820 10 0 GHAERO O=C(NCCC1=CCCCC1)c1cccnc1N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000065255756 570753946 /nfs/dbraw/zinc/75/39/46/570753946.db2.gz HUBVTEZRTINXDM-QFIPXVFZSA-N 1 0 390.531 3.853 10 0 GHAERO Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)c12 ZINC000113222967 837821454 /nfs/dbraw/zinc/82/14/54/837821454.db2.gz UPGQJSVWIOJXTA-MAUKXSAKSA-N 1 0 390.487 3.815 10 0 GHAERO Cn1ccnc1CC1CC[NH+](CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000157976680 835170034 /nfs/dbraw/zinc/17/00/34/835170034.db2.gz NWCSECVZKZECHH-UHFFFAOYSA-N 1 0 385.899 3.621 10 0 GHAERO Cc1cc(NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cnc1N1CCCC[C@H]1C ZINC000333117877 844037748 /nfs/dbraw/zinc/03/77/48/844037748.db2.gz HRZGPQAFSZBLFR-YLJYHZDGSA-N 1 0 385.556 3.765 10 0 GHAERO Cc1cc(Br)cc(-c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)c1 ZINC000329654260 835539019 /nfs/dbraw/zinc/53/90/19/835539019.db2.gz FFUXWYBNXJEPDH-RHSMWYFYSA-N 1 0 378.270 3.733 10 0 GHAERO Cc1ccc(NC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1Br ZINC000333164398 844100921 /nfs/dbraw/zinc/10/09/21/844100921.db2.gz OOAXZMBNLOYJQG-DLBZAZTESA-N 1 0 396.329 3.508 10 0 GHAERO C[C@H]([NH2+]C1CCN(c2ncccn2)CC1)c1cc(Br)ccc1F ZINC000178040999 838260799 /nfs/dbraw/zinc/26/07/99/838260799.db2.gz TXVJHFYODTWZAP-LBPRGKRZSA-N 1 0 379.277 3.698 10 0 GHAERO O=C(/C=C\c1ccnc2ccccc12)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000588413406 841440611 /nfs/dbraw/zinc/44/06/11/841440611.db2.gz GIPARUTWLAMZJP-FPLPWBNLSA-N 1 0 393.531 3.599 10 0 GHAERO COc1ccc([C@H](CNC(=O)/C=C\c2ncccc2C)[NH+]2CCCCC2)cc1 ZINC000588451410 843291315 /nfs/dbraw/zinc/29/13/15/843291315.db2.gz ZOUPFFHVPJRIAY-MLUDITRGSA-N 1 0 379.504 3.755 10 0 GHAERO Cc1ccc(-c2nnc(CN3CCC(CC[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)o2)cc1 ZINC000330334490 843711890 /nfs/dbraw/zinc/71/18/90/843711890.db2.gz YQVCHWXTLLEVHY-KDURUIRLSA-N 1 0 398.551 3.756 10 0 GHAERO Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000247810071 845022772 /nfs/dbraw/zinc/02/27/72/845022772.db2.gz URGWGCKSNIOYCJ-ZBFHGGJFSA-N 1 0 383.521 3.811 10 0 GHAERO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)N[C@H](c1cccs1)c1ccccc1 ZINC000332979013 845229603 /nfs/dbraw/zinc/22/96/03/845229603.db2.gz PFHGVCHAJRCACW-YUXAGFNASA-N 1 0 384.545 3.581 10 0 GHAERO Cn1cncc1[C@H]1C[C@H](NC(=O)NC2CC(c3cccc(Cl)c3)C2)CCO1 ZINC000333464046 845404529 /nfs/dbraw/zinc/40/45/29/845404529.db2.gz QBSPYWMTEHLEFG-JWBIFMHMSA-N 1 0 388.899 3.539 10 0 GHAERO Cn1cncc1[C@H]1C[C@@H](NC(=O)NC2CC(c3cccc(Cl)c3)C2)CCO1 ZINC000333464048 845404688 /nfs/dbraw/zinc/40/46/88/845404688.db2.gz QBSPYWMTEHLEFG-VHHHDHQQSA-N 1 0 388.899 3.539 10 0 GHAERO Cc1c([C@H](C)[NH2+][C@H]2CCN(c3ncccc3Cl)C2)cnn1-c1ccccn1 ZINC000119939454 847701275 /nfs/dbraw/zinc/70/12/75/847701275.db2.gz GKGONQGNMCLZFE-HOCLYGCPSA-N 1 0 382.899 3.554 10 0 GHAERO COc1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@@H](C)CC[C@@H]3O)o2)cc1 ZINC000329823896 862348596 /nfs/dbraw/zinc/34/85/96/862348596.db2.gz QJKOFYDJAGUZJD-QLIIJSOBSA-N 1 0 385.508 3.897 10 0 GHAERO Cc1ccc(NC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c(Br)c1 ZINC000333948326 853259832 /nfs/dbraw/zinc/25/98/32/853259832.db2.gz WFSILHJCRZFERS-RDJZCZTQSA-N 1 0 396.329 3.508 10 0 GHAERO COc1ccc([C@@H]2CCCCCN2C(=O)C[NH2+][C@@H]2CCC(=O)NC23CCC3)cc1 ZINC000328680327 854507271 /nfs/dbraw/zinc/50/72/71/854507271.db2.gz BYWVLYRINPFKRD-VQTJNVASSA-N 1 0 399.535 3.770 10 0 GHAERO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000136581294 855513772 /nfs/dbraw/zinc/51/37/72/855513772.db2.gz YXUUNVWYQXAPQQ-GGAORHGYSA-N 1 0 385.552 3.509 10 0 GHAERO Cc1c([C@H]2[C@H](C[NH2+][C@H](c3cccs3)C3CCCC3)CC(=O)N2C)cnn1C ZINC000330272084 862711340 /nfs/dbraw/zinc/71/13/40/862711340.db2.gz XBQNMPSNEIMTGG-ORYQWCPZSA-N 1 0 386.565 3.831 10 0 GHAERO COc1ccc([C@H](C)[NH2+]CC(=O)N(C)Cc2ccc(SC)cc2)cc1F ZINC000102700016 860822196 /nfs/dbraw/zinc/82/21/96/860822196.db2.gz ATKTVGPZURDDAZ-AWEZNQCLSA-N 1 0 376.497 3.865 10 0 GHAERO Cc1sc2nc(C)nc(N(C)C[C@@H]3CCC[N@H+](C)[C@H]3c3ccnn3C)c2c1C ZINC000329221259 861163838 /nfs/dbraw/zinc/16/38/38/861163838.db2.gz UNZDAUOMZCZKNX-QFBILLFUSA-N 1 0 398.580 3.869 10 0 GHAERO Cc1cccc2[nH]cc(CCNC(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)c21 ZINC000103176607 863900690 /nfs/dbraw/zinc/90/06/90/863900690.db2.gz AUYZNXVREHVMEV-IBGZPJMESA-N 1 0 380.492 3.748 10 0 GHAERO Cc1nc(-c2cccc(NC(=O)N(CC[NH+](C)C)Cc3cccc(C)c3)c2)no1 ZINC000103237107 863920154 /nfs/dbraw/zinc/92/01/54/863920154.db2.gz UWOXGTYFHYIXIT-UHFFFAOYSA-N 1 0 393.491 3.949 10 0 GHAERO COc1ccccc1NC(=O)C[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000103475189 864001491 /nfs/dbraw/zinc/00/14/91/864001491.db2.gz LDOVCGMTKQSBLE-UHFFFAOYSA-N 1 0 378.476 3.588 10 0 GHAERO COc1ccccc1CCN(C)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000103859987 864099954 /nfs/dbraw/zinc/09/99/54/864099954.db2.gz SVIWIMZQPZEMJV-OALUTQOASA-N 1 0 375.557 3.637 10 0 GHAERO C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccc2c(c1)OCO2 ZINC000103301644 866037596 /nfs/dbraw/zinc/03/75/96/866037596.db2.gz YKKYEQKAQJZVSF-ZWKOTPCHSA-N 1 0 387.524 3.774 10 0 GHAERO Cc1cnn([C@@H]2CCCN(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)C2)c1 ZINC000111808127 866704921 /nfs/dbraw/zinc/70/49/21/866704921.db2.gz RZPKKJJLBQFFHV-JOCHJYFZSA-N 1 0 395.551 3.724 10 0 GHAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)c3ccccc3Nc3ccccc3)C2)CC1 ZINC000173280535 882345759 /nfs/dbraw/zinc/34/57/59/882345759.db2.gz FAHXFJCSLYCTQW-NRFANRHFSA-N 1 0 392.547 3.672 10 0 GHAERO O=C(Nc1c(F)cc(Br)cc1F)N1CCC([NH+]2CCCC2)CC1 ZINC000174078331 882422476 /nfs/dbraw/zinc/42/24/76/882422476.db2.gz RLYLGMCOINOTJG-UHFFFAOYSA-N 1 0 388.256 3.819 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc(N2CCCCC2)cc1 ZINC000174244311 882438986 /nfs/dbraw/zinc/43/89/86/882438986.db2.gz FPUGWLVRCWSYEB-CVDCTZTESA-N 1 0 392.547 3.712 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3ccccc3CC(F)(F)F)CC2)CCO1 ZINC000174004339 882448927 /nfs/dbraw/zinc/44/89/27/882448927.db2.gz PBDLNZAUIBIDDV-AWEZNQCLSA-N 1 0 385.430 3.508 10 0 GHAERO CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000105055757 882619680 /nfs/dbraw/zinc/61/96/80/882619680.db2.gz DBRQXPXAIMEMLO-OAHLLOKOSA-N 1 0 394.947 3.816 10 0 GHAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)C34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)C2)CC1 ZINC000175993337 882653622 /nfs/dbraw/zinc/65/36/22/882653622.db2.gz AZIBYUBNNJQOOY-PMECWSMQSA-N 1 0 387.612 3.612 10 0 GHAERO CC(C)n1cnnc1-c1ccccc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000176309449 882677989 /nfs/dbraw/zinc/67/79/89/882677989.db2.gz SBQKFRXPHADMRA-UHFFFAOYSA-N 1 0 382.512 3.618 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CSc1ccccc1Cl ZINC000116249036 873370607 /nfs/dbraw/zinc/37/06/07/873370607.db2.gz NCQLVQUOIPOGRI-QAPCUYQASA-N 1 0 389.952 3.854 10 0 GHAERO O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000179943246 883039190 /nfs/dbraw/zinc/03/91/90/883039190.db2.gz JZXHJVQHLSJMSP-OALUTQOASA-N 1 0 395.906 3.579 10 0 GHAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)N[C@@H](c3cccs3)C(C)(C)C)C2)CC1 ZINC000180411155 883056973 /nfs/dbraw/zinc/05/69/73/883056973.db2.gz RWNSEKFEGKUKIW-MJGOQNOKSA-N 1 0 392.613 3.647 10 0 GHAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)CCCc3ccc4ccccc4c3)C2)CC1 ZINC000181098046 883121990 /nfs/dbraw/zinc/12/19/90/883121990.db2.gz PRPZYUUADYFQIO-XMMPIXPASA-N 1 0 393.575 3.791 10 0 GHAERO O=C(CC[N@@H+]1CCCN(c2ccccn2)CC1)Nc1ccccc1C(F)(F)F ZINC000183808335 883303906 /nfs/dbraw/zinc/30/39/06/883303906.db2.gz ZGCDMIIJCUEIHX-UHFFFAOYSA-N 1 0 392.425 3.641 10 0 GHAERO COc1cc2c(c(C[NH2+][C@@H]3CCN(C(C)=O)Cc4cc(F)ccc43)c1)O[C@@H](C)C2 ZINC000185365744 883442897 /nfs/dbraw/zinc/44/28/97/883442897.db2.gz WPJGONHEFAPMAT-RCDICMHDSA-N 1 0 398.478 3.741 10 0 GHAERO O=C(Nc1ccc(F)cc1-c1nc2ccccc2s1)c1n[nH]c2c1C[NH2+]CC2 ZINC000188534522 883856695 /nfs/dbraw/zinc/85/66/95/883856695.db2.gz QSCLCNAXSPSKJP-UHFFFAOYSA-N 1 0 393.447 3.724 10 0 GHAERO O=C(NC[C@H]1CCCCN1Cc1nc(-c2ccoc2)no1)Nc1ccccc1 ZINC000105607980 884821442 /nfs/dbraw/zinc/82/14/42/884821442.db2.gz MFVKGJDMDKKJSC-QGZVFWFLSA-N 1 0 381.436 3.506 10 0 GHAERO CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000053136364 885072983 /nfs/dbraw/zinc/07/29/83/885072983.db2.gz JUVUMHHDJADZOP-UHFFFAOYSA-N 1 0 399.579 3.538 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCCc1ccc(Cl)s1 ZINC000116533383 886365230 /nfs/dbraw/zinc/36/52/30/886365230.db2.gz ACULDCYGBUCFQF-PBHICJAKSA-N 1 0 392.956 3.549 10 0 GHAERO O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262452471 886507746 /nfs/dbraw/zinc/50/77/46/886507746.db2.gz GBYNEYZYYVAJQK-YCOUAJEISA-N 1 0 396.556 3.995 10 0 GHAERO CC(C)Cn1cc(C(F)F)c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000120561157 886526440 /nfs/dbraw/zinc/52/64/40/886526440.db2.gz UXZJXQFGGYUFBC-YOEHRIQHSA-N 1 0 380.483 3.566 10 0 GHAERO CC(C)OCCOCc1cccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000062416300 888506201 /nfs/dbraw/zinc/50/62/01/888506201.db2.gz RJIWNRYGPNNOIK-UHFFFAOYSA-N 1 0 389.540 3.720 10 0 GHAERO O=C(c1ccccc1)N1CCC(C[NH2+][C@@H](c2cccs2)c2ncc[nH]2)CC1 ZINC000195040911 888639501 /nfs/dbraw/zinc/63/95/01/888639501.db2.gz BWZGFRTVVLZWKI-IBGZPJMESA-N 1 0 380.517 3.703 10 0 GHAERO Cc1nc(-c2ccccc2)oc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000245463997 888760228 /nfs/dbraw/zinc/76/02/28/888760228.db2.gz PDVQVSHNQHSBPV-OXQOHEQNSA-N 1 0 390.487 3.685 10 0 GHAERO COCOc1ccc(OC)cc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000245732910 889550569 /nfs/dbraw/zinc/55/05/69/889550569.db2.gz FKCHJNCQVUZFHB-SJLPKXTDSA-N 1 0 377.506 3.828 10 0 GHAERO CC[C@H](C)n1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1C1CC1 ZINC000245865871 889885685 /nfs/dbraw/zinc/88/56/85/889885685.db2.gz LLAGEAWLYSXFOB-WWMYMODYSA-N 1 0 395.551 3.767 10 0 GHAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3cccc(SC(F)F)c3)CC2)CCO1 ZINC000067356803 891148600 /nfs/dbraw/zinc/14/86/00/891148600.db2.gz GLXDVHYRXWFOBE-CYBMUJFWSA-N 1 0 385.480 3.718 10 0 GHAERO O=C(CN1CC[C@@H]2OCCC[C@H]2C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000246759258 891303644 /nfs/dbraw/zinc/30/36/44/891303644.db2.gz QADGXVRBPXFQPH-FZMZJTMJSA-N 1 0 376.806 3.798 10 0 GHAERO c1cc([C@H]2CN(CCCN3CCO[C@@H](c4ccsc4)C3)CCO2)cs1 ZINC000246754179 891304883 /nfs/dbraw/zinc/30/48/83/891304883.db2.gz VQQDGIIWRYHVNT-RTBURBONSA-N 1 0 378.563 3.647 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccccc1N1CCCC1 ZINC000246830336 891312461 /nfs/dbraw/zinc/31/24/61/891312461.db2.gz CKEGPEJMLGBRDQ-UYAOXDASSA-N 1 0 393.535 3.714 10 0 GHAERO CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246825204 891312512 /nfs/dbraw/zinc/31/25/12/891312512.db2.gz CFCYZARPFAYZHV-DENIHFKCSA-N 1 0 380.536 3.566 10 0 GHAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3sc(N(C)C)nc3-c3ccccc3)[C@@H]2C1 ZINC000246850994 891316237 /nfs/dbraw/zinc/31/62/37/891316237.db2.gz SDDBXQPVAWVZIO-KURKYZTESA-N 1 0 387.549 3.644 10 0 GHAERO CC(C)C(=O)NC[C@H]1CCCN(Cc2ncc(-c3ccccc3Cl)o2)C1 ZINC000075683177 891336222 /nfs/dbraw/zinc/33/62/22/891336222.db2.gz AGUKKKARCISJIG-OAHLLOKOSA-N 1 0 375.900 3.979 10 0 GHAERO COc1ccccc1C/C(C)=C/C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247290986 891363073 /nfs/dbraw/zinc/36/30/73/891363073.db2.gz TYWXSBKBOJKFMC-XEMWLZHMSA-N 1 0 393.531 3.606 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCSc1ccc(F)cc1 ZINC000247545341 891383365 /nfs/dbraw/zinc/38/33/65/891383365.db2.gz RMIMNGOHZRDANF-OXQOHEQNSA-N 1 0 387.524 3.730 10 0 GHAERO CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000247963142 891403896 /nfs/dbraw/zinc/40/38/96/891403896.db2.gz DDNNCWIQUZUSBF-GPXNEJASSA-N 1 0 389.499 3.512 10 0 GHAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3csc(-c4ccc(F)c(F)c4)n3)CC[C@H]21 ZINC000248624229 891446337 /nfs/dbraw/zinc/44/63/37/891446337.db2.gz YQSLAPHTZVGQQU-CXAGYDPISA-N 1 0 377.460 3.645 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c2ccc(F)cc2C1 ZINC000248738127 891459863 /nfs/dbraw/zinc/45/98/63/891459863.db2.gz QIIUWNBYXWXFES-ZDLDCBDASA-N 1 0 388.508 3.707 10 0 GHAERO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2cccc(-c3ncn(C)n3)c2)C1 ZINC000249287681 891484548 /nfs/dbraw/zinc/48/45/48/891484548.db2.gz JGTGSJRJSMPGAD-ZWKOTPCHSA-N 1 0 396.539 3.600 10 0 GHAERO CC(=O)Nc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000249046409 891491003 /nfs/dbraw/zinc/49/10/03/891491003.db2.gz FDROSIJGQINTTN-JXFKEZNVSA-N 1 0 379.504 3.736 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000252444629 891686401 /nfs/dbraw/zinc/68/64/01/891686401.db2.gz PNRCMUDCMJIUDT-MAUKXSAKSA-N 1 0 396.491 3.621 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000252444628 891686893 /nfs/dbraw/zinc/68/68/93/891686893.db2.gz PNRCMUDCMJIUDT-CRAIPNDOSA-N 1 0 396.491 3.621 10 0 GHAERO Cc1ccc(N2CCCC2)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000252444567 891687033 /nfs/dbraw/zinc/68/70/33/891687033.db2.gz PJBRIYHSXDUVIY-DENIHFKCSA-N 1 0 392.547 3.631 10 0 GHAERO CCCOc1cc(C)ccc1NC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000079534441 892415676 /nfs/dbraw/zinc/41/56/76/892415676.db2.gz DYCWSEXIFNOMLL-QGZVFWFLSA-N 1 0 375.513 3.501 10 0 GHAERO Cc1cc(NC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1C(F)(F)F ZINC000333132810 899987727 /nfs/dbraw/zinc/98/77/27/899987727.db2.gz JUXMZEATQLLGHG-IRXDYDNUSA-N 1 0 385.430 3.764 10 0 GHAERO COc1ccc(OC)c(C(=O)N(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000370175667 923927524 /nfs/dbraw/zinc/92/75/24/923927524.db2.gz UUVQDLXRXKKOOZ-LJQANCHMSA-N 1 0 386.517 3.550 10 0 GHAERO CCn1ncc(CN(C)C[C@H]2CCC[N@H+](CCc3ccccc3OC)C2)c1C ZINC000011843109 221132269 /nfs/dbraw/zinc/13/22/69/221132269.db2.gz ZMMDWGOBHPYYDS-HXUWFJFHSA-N 1 0 384.568 3.607 10 0 GHAERO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CCc2nc3cc(F)ccc3[nH]2)C1 ZINC000012446636 221197278 /nfs/dbraw/zinc/19/72/78/221197278.db2.gz PJOIHBWFIDSCEE-LJQANCHMSA-N 1 0 394.494 3.758 10 0 GHAERO CCCn1cc([C@@H]2C[C@H]3CN(c4cccc(OC)c4)C(=O)[C@]34CCC[N@H+]24)c(C)n1 ZINC000012465673 221197945 /nfs/dbraw/zinc/19/79/45/221197945.db2.gz XYQLQBVRNQQUDD-HYVJGQCMSA-N 1 0 394.519 3.553 10 0 GHAERO COc1cc(C[NH2+]CCCN2CCCC2=O)ccc1OCc1ccc(C)cc1 ZINC000013727793 221286123 /nfs/dbraw/zinc/28/61/23/221286123.db2.gz WPIONBBHXYYULT-UHFFFAOYSA-N 1 0 382.504 3.685 10 0 GHAERO Cc1cc(C[N@@H+]2CCC[C@H](COc3ccc(C)cc3)C2)c(C)n1-n1cnnc1 ZINC000055402599 222022251 /nfs/dbraw/zinc/02/22/51/222022251.db2.gz DVMPPCWVZKVILP-FQEVSTJZSA-N 1 0 379.508 3.607 10 0 GHAERO [NH3+]CCc1nc2ccccc2c(N(CCc2ccccc2)Cc2cccnc2)n1 ZINC000065371105 222126268 /nfs/dbraw/zinc/12/62/68/222126268.db2.gz SSPUOLJFGDLTFA-UHFFFAOYSA-N 1 0 383.499 3.775 10 0 GHAERO CC(=O)N1CCC([NH2+]Cc2nc(-c3ccc(C)cc3)c(-c3ccccn3)[nH]2)CC1 ZINC000067654357 222151908 /nfs/dbraw/zinc/15/19/08/222151908.db2.gz LKOCKUZLXYHDGS-UHFFFAOYSA-N 1 0 389.503 3.548 10 0 GHAERO COc1cccc([C@@H]2CCCN(c3nc(-c4ccncc4)nc4c3C[NH2+]C4)C2)c1 ZINC000072129196 222208277 /nfs/dbraw/zinc/20/82/77/222208277.db2.gz GDTNFDVNFFFHCO-GOSISDBHSA-N 1 0 387.487 3.534 10 0 GHAERO COc1ccc(-c2nc(NC[C@H]3CCC[NH2+]C3)cc(-c3ccccn3)n2)cc1 ZINC000073684847 523221761 /nfs/dbraw/zinc/22/17/61/523221761.db2.gz RMIPTEYQDPWVQW-INIZCTEOSA-N 1 0 375.476 3.626 10 0 GHAERO [NH3+][C@@H]1CCN(c2cc(-c3cccnc3)nc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000073684073 527363448 /nfs/dbraw/zinc/36/34/48/527363448.db2.gz NRUPSXVMDXESBX-MRXNPFEDSA-N 1 0 385.393 3.762 10 0 GHAERO OC(c1ccccc1)(c1ccccc1)N1CCN(Cc2ccccc2F)CC1 ZINC000020509443 570264679 /nfs/dbraw/zinc/26/46/79/570264679.db2.gz FBQDNWDXADOAED-UHFFFAOYSA-N 1 0 376.475 3.837 10 0 GHAERO COc1ccc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc1Cl ZINC000020928082 570284911 /nfs/dbraw/zinc/28/49/11/570284911.db2.gz QZPHFLXEIRXLEU-UHFFFAOYSA-N 1 0 389.912 3.596 10 0 GHAERO CC1(C)C=C(N2CC[NH+](C3=CC(C)(C)N(O)C(C)(C)C3)CC2)CC(C)(C)N1O ZINC000103601962 570295919 /nfs/dbraw/zinc/29/59/19/570295919.db2.gz RJPGNFXRTXKJHZ-UHFFFAOYSA-N 1 0 390.572 3.589 10 0 GHAERO CC(C)[NH2+]CCNc1nc2cc(Cl)ccc2c2nnc(Cc3ccccc3)n21 ZINC000034699459 570305728 /nfs/dbraw/zinc/30/57/28/570305728.db2.gz GWQUSVLMSBTNKN-UHFFFAOYSA-N 1 0 394.910 3.932 10 0 GHAERO Cc1ccccc1C1=NO[C@@H](C[N@H+](Cc2ccccc2)C[C@H](O)COC(C)C)C1 ZINC000035743013 570439444 /nfs/dbraw/zinc/43/94/44/570439444.db2.gz CLSOAVBFWRVZSE-FCHUYYIVSA-N 1 0 396.531 3.776 10 0 GHAERO COC[C@@H](O)C[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccccc1 ZINC000035840491 570463408 /nfs/dbraw/zinc/46/34/08/570463408.db2.gz DWXXZRRCHMIFPP-QHCPKHFHSA-N 1 0 382.479 3.685 10 0 GHAERO COCCC[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036095483 570535111 /nfs/dbraw/zinc/53/51/11/570535111.db2.gz OLGRWCBLJNVILU-LJQANCHMSA-N 1 0 381.875 3.758 10 0 GHAERO O=C(Nc1ccnn1Cc1ccc(Cl)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000158409448 835363240 /nfs/dbraw/zinc/36/32/40/835363240.db2.gz QYSQPQQVDXQISV-QGZVFWFLSA-N 1 0 387.915 3.534 10 0 GHAERO C[C@@H]1CCc2[nH]c3ccc(-c4nc([C@@H]5C[N@@H+]6CCC[C@@H]6CO5)no4)cc3c2C1 ZINC000329726044 835792087 /nfs/dbraw/zinc/79/20/87/835792087.db2.gz OHZGMZXTPBGOIS-RCDCFZSISA-N 1 0 378.476 3.878 10 0 GHAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(CSc4nc5ccccc5[nH]4)cc3)C[C@H]12 ZINC000248633809 835866354 /nfs/dbraw/zinc/86/63/54/835866354.db2.gz PTRIFEHWLYXARF-OKZBNKHCSA-N 1 0 392.528 3.665 10 0 GHAERO CSc1ccc(NC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1Cl ZINC000333201678 844226995 /nfs/dbraw/zinc/22/69/95/844226995.db2.gz XZDXGWWBGDSGIN-RDJZCZTQSA-N 1 0 383.945 3.812 10 0 GHAERO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@H](c1ccccc1)c1ccncc1 ZINC000103176599 837272242 /nfs/dbraw/zinc/27/22/42/837272242.db2.gz BYVBMROFLXWFIH-IFMALSPDSA-N 1 0 390.487 3.900 10 0 GHAERO CN(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000407969319 838296935 /nfs/dbraw/zinc/29/69/35/838296935.db2.gz WFSQSEHBZXJLSC-UHFFFAOYSA-N 1 0 392.931 3.524 10 0 GHAERO Cc1cc(-c2cc(C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)c3c(C)noc3n2)c(C)o1 ZINC000408145014 841139615 /nfs/dbraw/zinc/13/96/15/841139615.db2.gz PFWGWKCACQCVPN-BEFAXECRSA-N 1 0 394.475 3.574 10 0 GHAERO Cc1c(C(=O)N2CCC(Cc3nccn3C)CC2)cnn1-c1cc(C)ccc1C ZINC000162683119 842188291 /nfs/dbraw/zinc/18/82/91/842188291.db2.gz GYXVFVBDRCGXMU-UHFFFAOYSA-N 1 0 391.519 3.626 10 0 GHAERO CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000050275686 842594660 /nfs/dbraw/zinc/59/46/60/842594660.db2.gz DIXJINAMIDTDPU-JOCHJYFZSA-N 1 0 399.579 3.711 10 0 GHAERO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)c1 ZINC000408226529 843341160 /nfs/dbraw/zinc/34/11/60/843341160.db2.gz QBHUXQRUDAANET-HOCLYGCPSA-N 1 0 377.916 3.633 10 0 GHAERO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)/C=C\c1ncccc1C ZINC000588455818 843359333 /nfs/dbraw/zinc/35/93/33/843359333.db2.gz IYTYPYSOANZYMH-CBUFDYBVSA-N 1 0 379.504 3.622 10 0 GHAERO CC[C@H](NC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)c1nccs1 ZINC000246718122 848585219 /nfs/dbraw/zinc/58/52/19/848585219.db2.gz UMGPHCFSNKMWDL-BQFCYCMXSA-N 1 0 394.585 3.515 10 0 GHAERO C[C@H]1CCC[N@@H+]1C1CCN(c2ncccc2C(=O)N2CCc3ccccc32)CC1 ZINC000154903004 849401903 /nfs/dbraw/zinc/40/19/03/849401903.db2.gz DCPTZGPUDZVHHZ-SFHVURJKSA-N 1 0 390.531 3.738 10 0 GHAERO C[C@@H]1CCc2c(sc3nc(C[NH2+][C@H]4CCC(=O)NC45CCC5)nc(N)c23)C1 ZINC000328725358 854505911 /nfs/dbraw/zinc/50/59/11/854505911.db2.gz ZBHHPIYTBRNVCQ-RISCZKNCSA-N 1 0 385.537 3.530 10 0 GHAERO Cc1cc([C@@H]2CCCN(c3ccnc(N[C@@H]4CCCO[C@H]4C(C)C)n3)C2)n[nH]1 ZINC000328786069 854556208 /nfs/dbraw/zinc/55/62/08/854556208.db2.gz JACWGZKUGFRMLY-HLIPFELVSA-N 1 0 384.528 3.508 10 0 GHAERO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2OC)cc1Br ZINC000102697599 860820505 /nfs/dbraw/zinc/82/05/05/860820505.db2.gz IRMVLOSUVBABIU-GFCCVEGCSA-N 1 0 393.281 3.756 10 0 GHAERO COc1ccc2nc(C(=O)N3CCC[C@H](C[NH+]4CCCCCC4)C3)ccc2c1 ZINC000103094629 863863715 /nfs/dbraw/zinc/86/37/15/863863715.db2.gz QLDYRVIDFOGLSE-GOSISDBHSA-N 1 0 381.520 3.972 10 0 GHAERO O=C(NCC[N@@H+]1CCc2ccccc2C1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000103177604 863902021 /nfs/dbraw/zinc/90/20/21/863902021.db2.gz ZXLQRZKEIUBBJD-QHCPKHFHSA-N 1 0 386.499 3.529 10 0 GHAERO C[NH+](C)[C@H](CNC(=O)N[C@H](c1ccccc1)c1ccncc1)c1cccc(F)c1 ZINC000103298746 863945174 /nfs/dbraw/zinc/94/51/74/863945174.db2.gz AHNNNVRYGLSQOW-FGZHOGPDSA-N 1 0 392.478 3.912 10 0 GHAERO Clc1cc(Cl)c2c(c1)C=C(C[NH2+]Cc1cccnc1-n1cncn1)CO2 ZINC000171049996 882108851 /nfs/dbraw/zinc/10/88/51/882108851.db2.gz BATICYOGKAVZKZ-UHFFFAOYSA-N 1 0 388.258 3.535 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(C)CCCc1ccccc1 ZINC000172194070 882176484 /nfs/dbraw/zinc/17/64/84/882176484.db2.gz FCXOBVFUJCTCFR-UGKGYDQZSA-N 1 0 380.536 3.566 10 0 GHAERO C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000172350515 882185818 /nfs/dbraw/zinc/18/58/18/882185818.db2.gz XKSNVSYRXZTCGV-HOTGVXAUSA-N 1 0 398.469 3.596 10 0 GHAERO COC(=O)c1cc2cc(C[NH+]3CCC(C(=O)N4CCCCCC4)CC3)ccc2o1 ZINC000172738414 882305011 /nfs/dbraw/zinc/30/50/11/882305011.db2.gz OFWMUAPFPTZLOU-UHFFFAOYSA-N 1 0 398.503 3.834 10 0 GHAERO C[C@@H]([NH2+]C1CCN(c2cccs2)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000168437044 870544915 /nfs/dbraw/zinc/54/49/15/870544915.db2.gz MVFFOTJWDCNJRY-CYBMUJFWSA-N 1 0 382.526 3.610 10 0 GHAERO C[C@@H](c1nc2ccccc2n1C(F)F)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000174893684 882535809 /nfs/dbraw/zinc/53/58/09/882535809.db2.gz NBTVUKKUKJNSRC-IRXDYDNUSA-N 1 0 391.510 3.594 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCOc1ccccc1Cl ZINC000116244855 873366396 /nfs/dbraw/zinc/36/63/96/873366396.db2.gz PDUQMLMJEVPBTN-APWZRJJASA-N 1 0 387.911 3.531 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccccc1OCC1CC1 ZINC000116248521 873367742 /nfs/dbraw/zinc/36/77/42/873367742.db2.gz WUDSRAIALJIHHZ-UTKZUKDTSA-N 1 0 379.504 3.511 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Cc1c(Cl)cccc1Cl ZINC000116250286 873370664 /nfs/dbraw/zinc/37/06/64/873370664.db2.gz FTKSMKMJTFGZLA-LIRRHRJNSA-N 1 0 392.330 3.958 10 0 GHAERO COC(=O)[C@H]1C[C@@H](c2ccccc2)C[N@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000178475274 882895048 /nfs/dbraw/zinc/89/50/48/882895048.db2.gz RCGMJOWSSQQJNZ-MOPGFXCFSA-N 1 0 377.444 3.515 10 0 GHAERO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccn1Cc1cccs1 ZINC000119303327 875109777 /nfs/dbraw/zinc/10/97/77/875109777.db2.gz BCUFTBYZGOAMNJ-AVRDEDQJSA-N 1 0 380.561 3.993 10 0 GHAERO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1Cc2ccccc2[C@@H]1O ZINC000178355092 882906583 /nfs/dbraw/zinc/90/65/83/882906583.db2.gz PGOJPJILZMNIBF-LWLIDHTLSA-N 1 0 378.394 3.670 10 0 GHAERO Cc1nc(CC(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cs1 ZINC000021529294 875858281 /nfs/dbraw/zinc/85/82/81/875858281.db2.gz GOHOWYPTMPQFTB-UHFFFAOYSA-N 1 0 384.530 3.648 10 0 GHAERO Cc1ccc(N2CCC([NH2+][C@H](C)c3ncc(Br)s3)CC2)nc1 ZINC000179233567 882982879 /nfs/dbraw/zinc/98/28/79/882982879.db2.gz BTZXLLRIZILCLI-GFCCVEGCSA-N 1 0 381.343 3.929 10 0 GHAERO O=C1Nc2ccccc2[C@H]1CC[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000180390582 883053542 /nfs/dbraw/zinc/05/35/42/883053542.db2.gz LGXZDDKORRCJFV-FXVOITISSA-N 1 0 375.472 3.535 10 0 GHAERO C[C@@H](NC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1)c1cccc2ccccc21 ZINC000180382158 883053297 /nfs/dbraw/zinc/05/32/97/883053297.db2.gz KAGGWRUWEYZDDJ-TZIWHRDSSA-N 1 0 394.563 3.712 10 0 GHAERO CCC(CC)n1nc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1C ZINC000180551294 883079612 /nfs/dbraw/zinc/07/96/12/883079612.db2.gz UHORNNYDUNJPKR-OXJNMPFZSA-N 1 0 383.540 3.588 10 0 GHAERO C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182367779 883217589 /nfs/dbraw/zinc/21/75/89/883217589.db2.gz YIJCOVKNJSHYDB-AOMKIAJQSA-N 1 0 379.504 3.720 10 0 GHAERO COc1ccc([C@H](C)[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1OC ZINC000184538069 883354688 /nfs/dbraw/zinc/35/46/88/883354688.db2.gz CYLLXDPVYDZQRJ-XOBRGWDASA-N 1 0 386.467 3.987 10 0 GHAERO Cc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)[NH+]2CCCC2)o1 ZINC000186645061 883680863 /nfs/dbraw/zinc/68/08/63/883680863.db2.gz MKEKDZFVOWDBFL-SFHVURJKSA-N 1 0 397.479 3.524 10 0 GHAERO CC(C)Oc1cccc(/C=C/C(=O)NC2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000192576982 884283357 /nfs/dbraw/zinc/28/33/57/884283357.db2.gz GHLJPTUOERKGTH-CMDGGOBGSA-N 1 0 379.504 3.663 10 0 GHAERO CC(=O)N1CC[C@@H]([NH2+]CCCc2ccc3c(c2)CCO3)c2ccc(F)cc2C1 ZINC000193315039 884337982 /nfs/dbraw/zinc/33/79/82/884337982.db2.gz ZNFSFDVSXYYGQK-JOCHJYFZSA-N 1 0 382.479 3.776 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3cccc(OC4CCCC4)c3)CC2)CCO1 ZINC000193487938 884519715 /nfs/dbraw/zinc/51/97/15/884519715.db2.gz VUGQCWYXOIICAW-KRWDZBQOSA-N 1 0 387.524 3.725 10 0 GHAERO Cc1ccc(NC(=O)NC[C@H]2CCCN(Cc3nc(-c4ccoc4)no3)C2)cc1 ZINC000105609100 884820913 /nfs/dbraw/zinc/82/09/13/884820913.db2.gz JBFQNBZMWHWJEO-MRXNPFEDSA-N 1 0 395.463 3.672 10 0 GHAERO Cc1ccc(C[C@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)c2ccccn2)cc1 ZINC000115849913 886350938 /nfs/dbraw/zinc/35/09/38/886350938.db2.gz BBTYEXITPHDRAP-QHCPKHFHSA-N 1 0 392.547 3.944 10 0 GHAERO C[C@H]1CN(C(=O)C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000051764130 887783077 /nfs/dbraw/zinc/78/30/77/887783077.db2.gz CXXURDVBDIBRBU-GJZGRUSLSA-N 1 0 384.442 3.553 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1cc(-c2ccccc2)on1 ZINC000246371823 891081524 /nfs/dbraw/zinc/08/15/24/891081524.db2.gz QUUXKNLOVXBEHG-QFBILLFUSA-N 1 0 391.475 3.769 10 0 GHAERO COc1ccc(Cl)cc1NC(=O)CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246818851 891309995 /nfs/dbraw/zinc/30/99/95/891309995.db2.gz NPXHWSQSZZBHAR-KXBFYZLASA-N 1 0 391.943 3.626 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1cccc(OC(F)F)c1 ZINC000247053271 891337153 /nfs/dbraw/zinc/33/71/53/891337153.db2.gz OPYBTUDEHJSNEN-RDTXWAMCSA-N 1 0 390.434 3.715 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(F)c(F)cc1Cl ZINC000247078573 891343964 /nfs/dbraw/zinc/34/39/64/891343964.db2.gz CVGQOALNJROYTD-KZULUSFZSA-N 1 0 379.838 3.654 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1c[nH]cc1-c1ccc(F)cc1 ZINC000246932828 891346444 /nfs/dbraw/zinc/34/64/44/891346444.db2.gz ZNCGZVRAVJKTGT-KSFYIVLOSA-N 1 0 392.478 3.856 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000247231639 891357883 /nfs/dbraw/zinc/35/78/83/891357883.db2.gz NXOJTDPWPDRQHE-QFBILLFUSA-N 1 0 395.551 3.551 10 0 GHAERO CCOCc1cccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247539264 891382947 /nfs/dbraw/zinc/38/29/47/891382947.db2.gz QMZKUKCENKHMRB-DYESRHJHSA-N 1 0 382.508 3.650 10 0 GHAERO CC(C)Oc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000247567827 891386338 /nfs/dbraw/zinc/38/63/38/891386338.db2.gz WBSVZMGZXMQEDM-LAUBAEHRSA-N 1 0 382.508 3.901 10 0 GHAERO CC[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc(OC)cc1 ZINC000247571006 891387047 /nfs/dbraw/zinc/38/70/47/891387047.db2.gz WQAMGSPDQJNMPO-VOQZNFBZSA-N 1 0 396.535 3.751 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1cc(Cl)ccc1F ZINC000247573548 891387486 /nfs/dbraw/zinc/38/74/86/891387486.db2.gz XBYOYBLFSBZFNR-CXAGYDPISA-N 1 0 376.863 3.906 10 0 GHAERO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(C(=O)Nc4ccccc4)cc3)CC[C@H]21 ZINC000248125102 891410904 /nfs/dbraw/zinc/41/09/04/891410904.db2.gz NUNWABXHCAWRJF-GHTZIAJQSA-N 1 0 392.503 3.887 10 0 GHAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(-c4cccnc4)nc4ccccc43)CC[C@H]21 ZINC000248183649 891415806 /nfs/dbraw/zinc/41/58/06/891415806.db2.gz WWOOCNCPULBJNS-WZONZLPQSA-N 1 0 386.499 3.853 10 0 GHAERO CN1CC[C@H]([NH2+][C@H]2CCS(=O)(=O)c3ccccc32)[C@@H]1c1ccc(Cl)cc1 ZINC000248558922 891428536 /nfs/dbraw/zinc/42/85/36/891428536.db2.gz LZSPTCAKLRXDSX-BJLQDIEVSA-N 1 0 390.936 3.594 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N[C@H]1CCCc2sccc21 ZINC000248719135 891461611 /nfs/dbraw/zinc/46/16/11/891461611.db2.gz LIGBRNQNOVMAGP-LZQZEXGQSA-N 1 0 384.549 3.730 10 0 GHAERO CC(=O)Nc1ccc(C)c(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000248795127 891469942 /nfs/dbraw/zinc/46/99/42/891469942.db2.gz JCMHXFXBMDAEOV-IIBYNOLFSA-N 1 0 380.492 3.595 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCc1ccc(Cl)cc1F ZINC000252032047 891669166 /nfs/dbraw/zinc/66/91/66/891669166.db2.gz ZQWKYNINHLHUHY-AUUYWEPGSA-N 1 0 390.890 3.584 10 0 GHAERO Cc1cc(F)cc2c(O)c(C(=O)N[C@@H]3CC[N@@H+](C)[C@H]3c3ccccc3)cnc12 ZINC000253556324 891881487 /nfs/dbraw/zinc/88/14/87/891881487.db2.gz LAHSMEHSVNESMM-QUCCMNQESA-N 1 0 379.435 3.563 10 0 GHAERO CSc1ccc(Cl)cc1NC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333116221 899973553 /nfs/dbraw/zinc/97/35/53/899973553.db2.gz HKNQSEGTCJZVGX-YOEHRIQHSA-N 1 0 383.945 3.812 10 0 GHAERO CSc1ccc(Cl)cc1NC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333116218 899974012 /nfs/dbraw/zinc/97/40/12/899974012.db2.gz HKNQSEGTCJZVGX-PBHICJAKSA-N 1 0 383.945 3.812 10 0 GHAERO [NH3+][C@@H]1CCc2ncc(NC(=O)N[C@H]3CC4(CCCC4)Oc4ccccc43)cc2C1 ZINC000333388676 902056442 /nfs/dbraw/zinc/05/64/42/902056442.db2.gz XCLVTNJVKNRPDF-UZLBHIALSA-N 1 0 392.503 3.856 10 0 GHAERO C[C@H]1CCC[C@H](CCNC(=O)N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)C1 ZINC000333430461 902084075 /nfs/dbraw/zinc/08/40/75/902084075.db2.gz JYCBOHWXXXLWKC-YOUFYPILSA-N 1 0 389.588 3.661 10 0 GHAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000333736993 902302140 /nfs/dbraw/zinc/30/21/40/902302140.db2.gz XAGTWXRJQRKWEY-RHSMWYFYSA-N 1 0 375.904 3.595 10 0 GHAERO CC[C@@H](CO)[NH2+]Cc1cc(Br)cc(OC)c1OCc1ccccc1 ZINC000010474305 221103806 /nfs/dbraw/zinc/10/38/06/221103806.db2.gz GKUCDJJJMVGTHI-KRWDZBQOSA-N 1 0 394.309 3.897 10 0 GHAERO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)c2ccccc2N2CCCC2)C1 ZINC000011938196 221138886 /nfs/dbraw/zinc/13/88/86/221138886.db2.gz QIXNTWKSCAPWHT-OAQYLSRUSA-N 1 0 392.547 3.809 10 0 GHAERO CCCCOCCC[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)c(OCC)c1 ZINC000013719812 221284708 /nfs/dbraw/zinc/28/47/08/221284708.db2.gz SLKGYRWRRYIHMT-UHFFFAOYSA-N 1 0 394.556 3.675 10 0 GHAERO Cc1ccc(COc2ccc3ccccc3c2CNCCC[NH2+]CCO)cc1 ZINC000013733218 221285109 /nfs/dbraw/zinc/28/51/09/221285109.db2.gz WFUVNNVHMNYQPQ-UHFFFAOYSA-N 1 0 378.516 3.789 10 0 GHAERO CCOc1cccc(C[NH2+]CCCN2CCCC2=O)c1OCc1ccccc1 ZINC000013727906 221285974 /nfs/dbraw/zinc/28/59/74/221285974.db2.gz WGVQBHLAFDGENA-UHFFFAOYSA-N 1 0 382.504 3.766 10 0 GHAERO COc1ccc(-c2nc(NC[C@@H]3CCC[NH2+]C3)cc(-c3ccncc3)n2)cc1 ZINC000073684831 523220815 /nfs/dbraw/zinc/22/08/15/523220815.db2.gz UGRMJPDOXKMTJE-MRXNPFEDSA-N 1 0 375.476 3.626 10 0 GHAERO [NH3+][C@H]1CCN(c2cc(-c3ccccn3)nc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000073684077 527411169 /nfs/dbraw/zinc/41/11/69/527411169.db2.gz IEPYIUBRGVXKSF-HNNXBMFYSA-N 1 0 385.393 3.762 10 0 GHAERO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(Cl)c(OC)c(OC)c1 ZINC000190429336 570899438 /nfs/dbraw/zinc/89/94/38/570899438.db2.gz PNFLGHPULRSUKU-YJBOKZPZSA-N 1 0 379.888 3.584 10 0 GHAERO CCCN(CCc1ccccn1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000105161603 837519229 /nfs/dbraw/zinc/51/92/29/837519229.db2.gz REKBMYDJGWUHDD-UHFFFAOYSA-N 1 0 398.526 3.849 10 0 GHAERO Cc1ccc(Br)cc1NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000157216571 834818271 /nfs/dbraw/zinc/81/82/71/834818271.db2.gz NJLGDOWLSZRCOQ-UHFFFAOYSA-N 1 0 391.313 3.978 10 0 GHAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(CSc4nc5ccccc5[nH]4)cc3)C[C@@H]12 ZINC000186935207 835032277 /nfs/dbraw/zinc/03/22/77/835032277.db2.gz PTRIFEHWLYXARF-KZNAEPCWSA-N 1 0 392.528 3.665 10 0 GHAERO C[C@@H](c1nnc(-c2cccs2)o1)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000328742746 839722511 /nfs/dbraw/zinc/72/25/11/839722511.db2.gz JRIWUMQQCMVLJF-XHSDSOJGSA-N 1 0 390.553 3.680 10 0 GHAERO Cc1nc(C)n(C[C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cc(Cl)ccc3C)C2)n1 ZINC000106179585 840669511 /nfs/dbraw/zinc/66/95/11/840669511.db2.gz RCVDKGUDYBVZEA-YOEHRIQHSA-N 1 0 389.931 3.596 10 0 GHAERO CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c2)CC1 ZINC000120242557 840955062 /nfs/dbraw/zinc/95/50/62/840955062.db2.gz WSAJKLOTVZUMFV-UPVQGACJSA-N 1 0 399.579 3.755 10 0 GHAERO Cc1ccc(N2CCC([NH2+][C@@H](C)c3cccc(N4CCOC4=O)c3)CC2)nc1 ZINC000163490406 843007067 /nfs/dbraw/zinc/00/70/67/843007067.db2.gz TZNCNIOXCKCSIU-KRWDZBQOSA-N 1 0 380.492 3.666 10 0 GHAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000329608116 861758200 /nfs/dbraw/zinc/75/82/00/861758200.db2.gz BNWDVXUHNUNWRY-LAUBAEHRSA-N 1 0 377.488 3.638 10 0 GHAERO Cc1cc(C)n(-c2ccc(C[NH+]3CCC(C(=O)N[C@@H](C)C(C)C)CC3)cc2)n1 ZINC000101549494 851671224 /nfs/dbraw/zinc/67/12/24/851671224.db2.gz PZBPRGKLCYEURC-IBGZPJMESA-N 1 0 382.552 3.862 10 0 GHAERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)c1coc(C2CCCCC2)n1 ZINC000328753032 854528443 /nfs/dbraw/zinc/52/84/43/854528443.db2.gz NOVYFRGYVLJYHY-FXAWDEMLSA-N 1 0 399.539 3.611 10 0 GHAERO C[C@H]1CC([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(-c3ccc(F)cc3)c2)C[C@H](C)C1 ZINC000330149710 862616243 /nfs/dbraw/zinc/61/62/43/862616243.db2.gz VGUFYKQTJFFGMP-JGDUNROCSA-N 1 0 398.526 3.945 10 0 GHAERO CC[C@@H](C)Oc1ccc(NC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000098029148 856253696 /nfs/dbraw/zinc/25/36/96/856253696.db2.gz LUJNPFBGYZGECR-IAGOWNOFSA-N 1 0 375.513 3.581 10 0 GHAERO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000329101017 861018720 /nfs/dbraw/zinc/01/87/20/861018720.db2.gz ZPIOFIXNBPLSGI-DJIMGWMZSA-N 1 0 397.441 3.705 10 0 GHAERO COc1ccc([C@H](C)NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1F ZINC000103185333 863906053 /nfs/dbraw/zinc/90/60/53/863906053.db2.gz MPGBXNGEPSRMTK-HKUYNNGSSA-N 1 0 399.510 3.759 10 0 GHAERO CC(C)Oc1cccc(/C=C/C(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000171384625 882103801 /nfs/dbraw/zinc/10/38/01/882103801.db2.gz JBTATNHQHSKWJL-VOTSOKGWSA-N 1 0 379.504 3.663 10 0 GHAERO CC(C)c1nn(C)c(Cl)c1C(=O)N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000367209450 868283146 /nfs/dbraw/zinc/28/31/46/868283146.db2.gz QGESFRZNFRCVTL-CQSZACIVSA-N 1 0 378.948 3.533 10 0 GHAERO CC(=O)N(c1nc(CN2CCC[N@@H+](C3CC3)CC2)cs1)c1ccc(F)cc1 ZINC000172542870 882293611 /nfs/dbraw/zinc/29/36/11/882293611.db2.gz ZXRPKNTVLAFGMY-UHFFFAOYSA-N 1 0 388.512 3.637 10 0 GHAERO COc1cc2c(cc1NC(=O)CN1CCC[N@@H+](C3CC3)CC1)oc1ccccc12 ZINC000172543320 882294338 /nfs/dbraw/zinc/29/43/38/882294338.db2.gz PFURIUQEGOYKKN-UHFFFAOYSA-N 1 0 393.487 3.703 10 0 GHAERO CC(C)(C)[NH+]1CCC(NC(=O)N2CCC(Nc3ccccc3F)CC2)CC1 ZINC000174164454 882432112 /nfs/dbraw/zinc/43/21/12/882432112.db2.gz BTHOXDGGJGUIEU-UHFFFAOYSA-N 1 0 376.520 3.675 10 0 GHAERO COC(=O)CC[N@H+](Cc1ncc(-c2ccccc2Cl)o1)C1CCOCC1 ZINC000174440661 882469419 /nfs/dbraw/zinc/46/94/19/882469419.db2.gz DMHIVJFWLRWMCV-UHFFFAOYSA-N 1 0 378.856 3.539 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3cccc(Oc4ccccn4)c3)CC2)CCO1 ZINC000174510661 882473822 /nfs/dbraw/zinc/47/38/22/882473822.db2.gz SBJVWGSRMQBQAY-KRWDZBQOSA-N 1 0 396.491 3.591 10 0 GHAERO Cn1nc(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1Cl ZINC000093134450 882493764 /nfs/dbraw/zinc/49/37/64/882493764.db2.gz HQUKVXOEDZPVKZ-MRXNPFEDSA-N 1 0 396.926 3.658 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCc1c[nH]c2ccccc12 ZINC000116246815 873368566 /nfs/dbraw/zinc/36/85/66/873368566.db2.gz RNTPCIOMZCOPHG-UWJYYQICSA-N 1 0 376.504 3.522 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000116246700 873368787 /nfs/dbraw/zinc/36/87/87/873368787.db2.gz PWOORFOUMOKISS-KUHUBIRLSA-N 1 0 392.330 3.958 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)/C=C/c1ccc2ccccc2n1 ZINC000116249085 873370087 /nfs/dbraw/zinc/37/00/87/873370087.db2.gz NKNMFGZWBRSXJE-RUUIYCEZSA-N 1 0 386.499 3.670 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000116251024 873370513 /nfs/dbraw/zinc/37/05/13/873370513.db2.gz APQJCUXXIPQCLE-JXFKEZNVSA-N 1 0 383.923 3.793 10 0 GHAERO Fc1ccc(CC[NH2+]C2CCN(Cc3cccnc3)CC2)cc1Br ZINC000178009764 882856304 /nfs/dbraw/zinc/85/63/04/882856304.db2.gz RHDDUQDNOAECLH-UHFFFAOYSA-N 1 0 392.316 3.780 10 0 GHAERO Cn1ccnc1CC1CCN(C(=O)N[C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000178851274 882958503 /nfs/dbraw/zinc/95/85/03/882958503.db2.gz LYOOSSUZKMPRLC-QGZVFWFLSA-N 1 0 388.512 3.760 10 0 GHAERO COc1cc(CN2CCC[N@@H+](C3CC3)CC2)ccc1OCc1c(C)noc1C ZINC000179733361 882997180 /nfs/dbraw/zinc/99/71/80/882997180.db2.gz NDOYXUUHKKCVQT-UHFFFAOYSA-N 1 0 385.508 3.549 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCc1ccc2[nH]ccc2c1 ZINC000180858897 883103911 /nfs/dbraw/zinc/10/39/11/883103911.db2.gz POTARNOWOGQTEW-UTKZUKDTSA-N 1 0 376.504 3.522 10 0 GHAERO CC(C)(C)C(=O)N1CCC(C[NH+]2CCC(Nc3ccccc3F)CC2)CC1 ZINC000181766215 883184095 /nfs/dbraw/zinc/18/40/95/883184095.db2.gz MYOJKHRMKRFTIL-UHFFFAOYSA-N 1 0 375.532 3.987 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1scnc1C1CCCC1 ZINC000184896781 883390738 /nfs/dbraw/zinc/39/07/38/883390738.db2.gz KTYMMHLDMQMRRC-QAPCUYQASA-N 1 0 384.549 3.836 10 0 GHAERO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1CCCN(c2ccccn2)CC1 ZINC000186037393 883606418 /nfs/dbraw/zinc/60/64/18/883606418.db2.gz ZRALCHWDCRCZFC-UHFFFAOYSA-N 1 0 390.491 3.628 10 0 GHAERO O=C(Nc1ccc(Cl)cc1)Nc1ccc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000188446512 883850690 /nfs/dbraw/zinc/85/06/90/883850690.db2.gz IGVHFWVLPMLVSJ-BLLLJJGKSA-N 1 0 376.819 3.623 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cccc2ccn(C)c21 ZINC000190019939 884043260 /nfs/dbraw/zinc/04/32/60/884043260.db2.gz OPXFLKUNBHTVBO-LPHOPBHVSA-N 1 0 377.492 3.605 10 0 GHAERO Cn1ccnc1CC1CC[NH+](Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000106163087 886026565 /nfs/dbraw/zinc/02/65/65/886026565.db2.gz KZHJFDAXEZZMPY-UHFFFAOYSA-N 1 0 380.536 3.501 10 0 GHAERO CC(C)[NH+]1CCC(NC(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)CC1 ZINC000113579168 886296299 /nfs/dbraw/zinc/29/62/99/886296299.db2.gz KUIREUOIVUIBSU-LJQANCHMSA-N 1 0 395.551 3.839 10 0 GHAERO Cc1nn(-c2ccccc2)c(C)c1[C@H](C)[NH2+]CCc1nnc2n1CCCCC2 ZINC000126556061 886980490 /nfs/dbraw/zinc/98/04/90/886980490.db2.gz SQUBNBYJPNGVER-INIZCTEOSA-N 1 0 378.524 3.700 10 0 GHAERO Cn1ccnc1CC1CC[NH+](CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000137156494 888337737 /nfs/dbraw/zinc/33/77/37/888337737.db2.gz JIMUUSUQQQUOLW-UHFFFAOYSA-N 1 0 394.441 3.722 10 0 GHAERO CC(C)Oc1ccc(/C=C/C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000058413922 888436308 /nfs/dbraw/zinc/43/63/08/888436308.db2.gz JCFSKQMLAVVLMK-DHZHZOJOSA-N 1 0 379.504 3.663 10 0 GHAERO Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3CCC[N@@H+](C4CC4)CC3)c12 ZINC000061604380 888492269 /nfs/dbraw/zinc/49/22/69/888492269.db2.gz YUYNKGJLIVNSKW-UHFFFAOYSA-N 1 0 395.551 3.682 10 0 GHAERO COc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1OCc1cccnc1 ZINC000245725750 889484939 /nfs/dbraw/zinc/48/49/39/889484939.db2.gz DSDUKQAZRONZIT-GHTZIAJQSA-N 1 0 392.503 3.949 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cccc(-c2ccoc2)c1 ZINC000246004881 890165005 /nfs/dbraw/zinc/16/50/05/890165005.db2.gz YSGWJZFLIVHREZ-VGOFRKELSA-N 1 0 375.472 3.982 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(Cc3cccc(C(=O)Nc4ccccc4)c3)CC2)CCO1 ZINC000066561487 891124352 /nfs/dbraw/zinc/12/43/52/891124352.db2.gz QVYIXZKEWPFACM-IBGZPJMESA-N 1 0 393.531 3.624 10 0 GHAERO CSc1ccc(Cl)cc1NC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000068314205 891175272 /nfs/dbraw/zinc/17/52/72/891175272.db2.gz OPEDTYJQYXVETH-CYBMUJFWSA-N 1 0 383.945 3.779 10 0 GHAERO CN1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)[C@H]1c1ccccc1 ZINC000246589544 891290446 /nfs/dbraw/zinc/29/04/46/891290446.db2.gz ZHCWXKFYXGNUSM-FGZHOGPDSA-N 1 0 397.950 3.980 10 0 GHAERO C[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(F)cc1F ZINC000246718488 891300354 /nfs/dbraw/zinc/30/03/54/891300354.db2.gz NYDFRBCBOVUYTB-VWKPWSFCSA-N 1 0 387.474 3.880 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc2ccn(C)c2c1 ZINC000246729016 891301115 /nfs/dbraw/zinc/30/11/15/891301115.db2.gz MQCPLSNUESCYSL-OXQOHEQNSA-N 1 0 377.492 3.605 10 0 GHAERO O=C(C[C@H]1CSCCS1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000246892389 891320825 /nfs/dbraw/zinc/32/08/25/891320825.db2.gz XHMWNQDZNSGNHG-IPQPSQTFSA-N 1 0 376.591 3.537 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N1CC2(CC2)c2ccccc21 ZINC000246911805 891323994 /nfs/dbraw/zinc/32/39/94/891323994.db2.gz MDKCLDUMKGCCJS-FXAWDEMLSA-N 1 0 376.504 3.553 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(Cl)cc2cccnc21 ZINC000247133757 891348471 /nfs/dbraw/zinc/34/84/71/891348471.db2.gz HHHTWJHSCJCNDQ-MGPUTAFESA-N 1 0 394.906 3.924 10 0 GHAERO O=C(CC[N@@H+]1CCS[C@H]2COCC[C@H]21)Nc1cc(Cl)ccc1Cl ZINC000247286605 891363552 /nfs/dbraw/zinc/36/35/52/891363552.db2.gz TXFDVJZNBKFIIV-CABCVRRESA-N 1 0 375.321 3.528 10 0 GHAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(Oc4cccnc4)c(F)c3)CC[C@H]21 ZINC000247290559 891363881 /nfs/dbraw/zinc/36/38/81/891363881.db2.gz UDBQZXPREVIYAN-YLJYHZDGSA-N 1 0 398.482 3.639 10 0 GHAERO COc1ccc(-c2nc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cs2)c(OC)c1 ZINC000247934297 891400130 /nfs/dbraw/zinc/40/01/30/891400130.db2.gz CGZMJFRXNHZTBM-HNAYVOBHSA-N 1 0 387.549 3.743 10 0 GHAERO C[N@@H+]1CC[C@@H](NC(=O)CCCc2nc(-c3cccs3)no2)[C@H]1c1ccccc1 ZINC000248086563 891409253 /nfs/dbraw/zinc/40/92/53/891409253.db2.gz SXPDEAGRZHUKCJ-OXQOHEQNSA-N 1 0 396.516 3.682 10 0 GHAERO CN1CC[C@H](C[NH2+]C2CCC3(CC2)OCCO3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248852879 891475187 /nfs/dbraw/zinc/47/51/87/891475187.db2.gz OZACSUSQTCMVCC-DNVCBOLYSA-N 1 0 382.907 3.747 10 0 GHAERO C[C@H](C(=O)Nc1ccccc1OC(F)F)N1CCC[C@@H](c2nccs2)C1 ZINC000249867640 891528544 /nfs/dbraw/zinc/52/85/44/891528544.db2.gz IKGODUOMKFLIJZ-CHWSQXEVSA-N 1 0 381.448 3.951 10 0 GHAERO O=C(Cc1coc(-c2cccs2)n1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000106010813 898246171 /nfs/dbraw/zinc/24/61/71/898246171.db2.gz IJKIJVFODHVLOG-UHFFFAOYSA-N 1 0 381.501 3.858 10 0 GHAERO COc1cc(Br)cc(C)c1NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333160154 900005221 /nfs/dbraw/zinc/00/52/21/900005221.db2.gz NSUJDXGXNSMTBN-HNNXBMFYSA-N 1 0 396.329 3.762 10 0 GHAERO Cc1c(Br)cccc1NC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333209889 900038592 /nfs/dbraw/zinc/03/85/92/900038592.db2.gz ZLVBRMHFEYHRSJ-DOTOQJQBSA-N 1 0 396.329 3.508 10 0 GHAERO O=C(Nc1nc2c(s1)C[C@H](c1ccccc1)CC2)N1CCC2(CC[NH2+]2)CC1 ZINC000333309943 901995739 /nfs/dbraw/zinc/99/57/39/901995739.db2.gz RMSHNQNEGPAZKQ-MRXNPFEDSA-N 1 0 382.533 3.775 10 0 GHAERO Cc1ccc(NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1C(=O)N1CCCCC1 ZINC000333389420 902056681 /nfs/dbraw/zinc/05/66/81/902056681.db2.gz XETRZUSGMHMMOA-OAQYLSRUSA-N 1 0 398.551 3.617 10 0 GHAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000333811992 902343106 /nfs/dbraw/zinc/34/31/06/902343106.db2.gz JMQKOHGGSXQORC-OAHLLOKOSA-N 1 0 376.888 3.512 10 0 GHAERO [NH3+][C@@H]1CCO[C@H]1C1CCN(c2nc(C3CC3)nc3sc4c(c32)CCCC4)CC1 ZINC000333837635 902359011 /nfs/dbraw/zinc/35/90/11/902359011.db2.gz KLZZZBLZTQQGRJ-APWZRJJASA-N 1 0 398.576 3.780 10 0 GHAERO COc1cc(C[NH2+]Cc2ccncc2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000013731512 221285112 /nfs/dbraw/zinc/28/51/12/221285112.db2.gz WVSJLZXWUZCWSW-UHFFFAOYSA-N 1 0 391.471 3.706 10 0 GHAERO Cc1ccc(COc2c(Cl)cc(Cl)cc2CNCCC[NH2+]CCO)cc1 ZINC000013733215 221286078 /nfs/dbraw/zinc/28/60/78/221286078.db2.gz GISUVSNYABBYQP-UHFFFAOYSA-N 1 0 397.346 3.942 10 0 GHAERO CC(C)n1c(-c2cccc(C(=O)NCC[NH+]3CCCC3)c2)nc2cccnc21 ZINC000065172742 222106427 /nfs/dbraw/zinc/10/64/27/222106427.db2.gz LXOZHHWSZSJJAD-UHFFFAOYSA-N 1 0 377.492 3.505 10 0 GHAERO Clc1cc(Br)ccc1-c1ccc(C[NH2+]CCN2CCOCC2)o1 ZINC000020875679 570283473 /nfs/dbraw/zinc/28/34/73/570283473.db2.gz DZVQOGLNOPNNCK-UHFFFAOYSA-N 1 0 399.716 3.784 10 0 GHAERO Cc1ccccc1C1=NO[C@H](C[N@H+](Cc2ccccc2)C[C@H](O)COC(C)C)C1 ZINC000035743012 570439459 /nfs/dbraw/zinc/43/94/59/570439459.db2.gz CLSOAVBFWRVZSE-VXKWHMMOSA-N 1 0 396.531 3.776 10 0 GHAERO CN1CC[C@H](NC(=O)N[C@@H]2CCOc3ccccc32)[C@H]1c1ccc(F)c(F)c1 ZINC000245728394 844082001 /nfs/dbraw/zinc/08/20/01/844082001.db2.gz XXSATFQIOJBFPG-WSTZPKSXSA-N 1 0 387.430 3.533 10 0 GHAERO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000103176597 837272028 /nfs/dbraw/zinc/27/20/28/837272028.db2.gz BYVBMROFLXWFIH-IRLDBZIGSA-N 1 0 390.487 3.900 10 0 GHAERO C[C@@H](Nc1ccc(OC2CC[NH+](C)CC2)nc1)c1ncc(Br)s1 ZINC000179743801 838430688 /nfs/dbraw/zinc/43/06/88/838430688.db2.gz HJPUNIUDMLYPIV-LLVKDONJSA-N 1 0 397.342 3.947 10 0 GHAERO COc1cccc([C@@H]2[C@@H](NC(=O)/C=C\c3ccnc(Cl)c3)CC[N@@H+]2C2CC2)c1 ZINC000588396709 840517403 /nfs/dbraw/zinc/51/74/03/840517403.db2.gz QOCFUIUWOCLEDG-NSRXHQGASA-N 1 0 397.906 3.851 10 0 GHAERO Cc1nc(C)n(C[C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cc(Cl)ccc3C)C2)n1 ZINC000106179582 840669489 /nfs/dbraw/zinc/66/94/89/840669489.db2.gz RCVDKGUDYBVZEA-PBHICJAKSA-N 1 0 389.931 3.596 10 0 GHAERO Cc1cccnc1/C=C\C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000588453289 843334198 /nfs/dbraw/zinc/33/41/98/843334198.db2.gz WWSHGDDRGNPTJW-KHPPLWFESA-N 1 0 378.520 3.820 10 0 GHAERO O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105016914 845928005 /nfs/dbraw/zinc/92/80/05/845928005.db2.gz RYMJOXWZUMWMON-SJORKVTESA-N 1 0 393.915 3.600 10 0 GHAERO CC(C)c1nn(C)c2sc(-c3nc([C@H]4C[N@@H+]5CCC[C@]5(C)CO4)no3)cc12 ZINC000329569976 861675319 /nfs/dbraw/zinc/67/53/19/861675319.db2.gz INWBRVCDVJLJMH-BFUOFWGJSA-N 1 0 387.509 3.734 10 0 GHAERO C[NH+](C)[C@@H](CNC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1cccs1 ZINC000041022977 856302226 /nfs/dbraw/zinc/30/22/26/856302226.db2.gz JETSNQFQRQPITD-INIZCTEOSA-N 1 0 387.480 3.894 10 0 GHAERO C[C@@H](c1cccc(F)c1)N1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000104121360 856312880 /nfs/dbraw/zinc/31/28/80/856312880.db2.gz AIXDIYUGMBZJHX-IBGZPJMESA-N 1 0 395.522 3.941 10 0 GHAERO O=C(Cc1c[s+]c2sc(=CNc3ccccc3)c(=O)n12)Nc1ccccc1 ZINC000048552311 856468604 /nfs/dbraw/zinc/46/86/04/856468604.db2.gz CNSKDPRNMOINMR-UHFFFAOYSA-O 1 0 394.501 3.916 10 0 GHAERO Cn1cc([C@@H]2CCCN2C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cn1 ZINC000171468141 860425704 /nfs/dbraw/zinc/42/57/04/860425704.db2.gz ZXVASKJCIMWWIF-QFIPXVFZSA-N 1 0 395.551 3.843 10 0 GHAERO O=C(c1cc2c(cc(Br)cc2F)[nH]1)N1CCC([NH+]2CCCC2)CC1 ZINC000171506052 882136287 /nfs/dbraw/zinc/13/62/87/882136287.db2.gz ORHOQWPEJSZJRJ-UHFFFAOYSA-N 1 0 394.288 3.770 10 0 GHAERO COc1cc(C[NH2+][C@H]2Cc3ccccc3[C@H]2O)ccc1OCc1c(C)noc1C ZINC000172067929 882167231 /nfs/dbraw/zinc/16/72/31/882167231.db2.gz YNAYNUJQWWNHHT-NZQKXSOJSA-N 1 0 394.471 3.627 10 0 GHAERO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H](c2nccs2)C1)c1ccco1 ZINC000114826577 870755574 /nfs/dbraw/zinc/75/55/74/870755574.db2.gz MQOPRELNFIOTEG-HOTGVXAUSA-N 1 0 376.526 3.708 10 0 GHAERO COc1cccc([C@H](C)CC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000175420399 882554539 /nfs/dbraw/zinc/55/45/39/882554539.db2.gz MOLPOBXGEPOBDS-HMFYCAOWSA-N 1 0 381.520 3.611 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(C)Cc1cc2ccccc2o1 ZINC000175525188 882594218 /nfs/dbraw/zinc/59/42/18/882594218.db2.gz YJMITQKPJKBUNY-UWJYYQICSA-N 1 0 392.503 3.880 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Cc1c(Cl)cccc1Cl ZINC000116250283 873369661 /nfs/dbraw/zinc/36/96/61/873369661.db2.gz FTKSMKMJTFGZLA-KUHUBIRLSA-N 1 0 392.330 3.958 10 0 GHAERO Cn1ccnc1CC1CCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000180215698 883067442 /nfs/dbraw/zinc/06/74/42/883067442.db2.gz DJNKPVKLRQBQMH-KRWDZBQOSA-N 1 0 396.318 3.632 10 0 GHAERO Cc1nnc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c2ccccc2)[nH]1 ZINC000180614082 883085376 /nfs/dbraw/zinc/08/53/76/883085376.db2.gz GOVIJTKQPSJLDY-IPQPSQTFSA-N 1 0 397.523 3.723 10 0 GHAERO Cn1c(CN2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)nnc1C1CCC1 ZINC000181464153 883154591 /nfs/dbraw/zinc/15/45/91/883154591.db2.gz VVSQRMLRWMVQQH-SFHVURJKSA-N 1 0 376.508 3.852 10 0 GHAERO COc1ccccc1CC1CCN(C(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000102446757 883217151 /nfs/dbraw/zinc/21/71/51/883217151.db2.gz NWFFGVQFNIFUPW-UHFFFAOYSA-N 1 0 387.568 3.780 10 0 GHAERO Cc1ccc(NC(=O)N2CCCN(c3ccccn3)CC2)cc1OCC(F)F ZINC000184098768 883316444 /nfs/dbraw/zinc/31/64/44/883316444.db2.gz MYVTWUAOJRSFLW-UHFFFAOYSA-N 1 0 390.434 3.778 10 0 GHAERO CC(C)c1ccc(NC(=O)N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)cc1F ZINC000184434185 883335264 /nfs/dbraw/zinc/33/52/64/883335264.db2.gz ICYHBKQAFMRGIS-GOSISDBHSA-N 1 0 376.520 3.583 10 0 GHAERO COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1OC ZINC000184538048 883354831 /nfs/dbraw/zinc/35/48/31/883354831.db2.gz CYLLXDPVYDZQRJ-JLTOFOAXSA-N 1 0 386.467 3.987 10 0 GHAERO COc1cc2c(c(C[NH2+][C@H]3CCN(C(C)=O)Cc4cc(F)ccc43)c1)O[C@@H](C)C2 ZINC000185365778 883442737 /nfs/dbraw/zinc/44/27/37/883442737.db2.gz WPJGONHEFAPMAT-FPTDNZKUSA-N 1 0 398.478 3.741 10 0 GHAERO CC1(C)OCc2cc(C[NH+]3CCC(C(=O)N4CCCCCC4)CC3)ccc2O1 ZINC000186600955 883671957 /nfs/dbraw/zinc/67/19/57/883671957.db2.gz CJNRPWHUWGPPAD-UHFFFAOYSA-N 1 0 386.536 3.946 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1N[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000188026631 883820488 /nfs/dbraw/zinc/82/04/88/883820488.db2.gz RRRLRLCGXUNJLY-CZAAIQMYSA-N 1 0 379.483 3.533 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000192425565 884261658 /nfs/dbraw/zinc/26/16/58/884261658.db2.gz KEEYVIZLLIVADE-BBRMVZONSA-N 1 0 393.413 3.528 10 0 GHAERO CCOC(=O)[C@@H](NC1CC[NH+](Cc2cccnc2)CC1)c1ccc(Cl)cc1 ZINC000192942731 884315264 /nfs/dbraw/zinc/31/52/64/884315264.db2.gz CFOMTUYOXSRRFX-FQEVSTJZSA-N 1 0 387.911 3.593 10 0 GHAERO O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)N1CCC([NH+]2CCCC2)CC1 ZINC000193029832 884321309 /nfs/dbraw/zinc/32/13/09/884321309.db2.gz ZLTYPRRFIXHLEM-UHFFFAOYSA-N 1 0 396.457 3.657 10 0 GHAERO O=C(c1cc2ccc(OC(F)(F)F)cc2[nH]1)N1CCC([NH+]2CCCC2)CC1 ZINC000193522044 885045814 /nfs/dbraw/zinc/04/58/14/885045814.db2.gz JUSVVUVATCMDNQ-UHFFFAOYSA-N 1 0 381.398 3.767 10 0 GHAERO COc1ccccc1CC[N@H+](C)CCC(=O)Nc1cc(Cl)ccc1OC ZINC000104709708 885563987 /nfs/dbraw/zinc/56/39/87/885563987.db2.gz WRJLWUQFRWEXHD-UHFFFAOYSA-N 1 0 376.884 3.860 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3ccc(F)cc3C(F)(F)F)CC2)CCO1 ZINC000102800429 885977394 /nfs/dbraw/zinc/97/73/94/885977394.db2.gz QOIMKGHUVLETPK-LBPRGKRZSA-N 1 0 389.393 3.562 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCc1cc2ccccc2o1 ZINC000116533290 886363981 /nfs/dbraw/zinc/36/39/81/886363981.db2.gz RQPYYHOBMPVYDN-UZLBHIALSA-N 1 0 378.476 3.538 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCC(C)(C)c1cccs1 ZINC000116552461 886364955 /nfs/dbraw/zinc/36/49/55/886364955.db2.gz NOYMMNNMNVGVON-AEFFLSMTSA-N 1 0 386.565 3.631 10 0 GHAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)Nc3ccccc3SC(F)F)C2)CC1 ZINC000125373489 886859258 /nfs/dbraw/zinc/85/92/58/886859258.db2.gz SYEJRRXKUWHDLG-HNNXBMFYSA-N 1 0 398.523 3.635 10 0 GHAERO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(Cc3ccccn3)C[C@@H]1C)CCCO2 ZINC000126127701 886934828 /nfs/dbraw/zinc/93/48/28/886934828.db2.gz ABEUCOFWDSIXEB-BULFRSBZSA-N 1 0 381.520 3.804 10 0 GHAERO Cc1cccc(C[NH+]2CCC(NC(=O)N3CCC[C@H]3c3ccncc3)CC2)c1 ZINC000045743163 887091506 /nfs/dbraw/zinc/09/15/06/887091506.db2.gz RWILWTOTAQPBHG-QFIPXVFZSA-N 1 0 378.520 3.901 10 0 GHAERO CCCCOc1cccc(NC(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000193754634 888521837 /nfs/dbraw/zinc/52/18/37/888521837.db2.gz YXWAPLKZUNAQNG-KRWDZBQOSA-N 1 0 375.513 3.583 10 0 GHAERO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H](C)c1c(C)n[nH]c1C ZINC000245641664 889137427 /nfs/dbraw/zinc/13/74/27/889137427.db2.gz SIVCZMDBYLPCQN-UWJYYQICSA-N 1 0 382.552 3.891 10 0 GHAERO CN(C)c1nc(-c2ccccc2)c(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)s1 ZINC000246206534 890704015 /nfs/dbraw/zinc/70/40/15/890704015.db2.gz MESLCQJNOVOSIE-NVXWUHKLSA-N 1 0 375.563 3.582 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)/C=C/c3ccc4ccc(Cl)cc4n3)CC2)CCO1 ZINC000066396234 891109673 /nfs/dbraw/zinc/10/96/73/891109673.db2.gz HVTXQQUAJQUHOA-MOEXGYKKSA-N 1 0 399.922 3.613 10 0 GHAERO Cc1cc(C)c(NC(=O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(Cl)c1 ZINC000246414581 891231751 /nfs/dbraw/zinc/23/17/51/891231751.db2.gz BTXKZHXTJYBEQH-LPHOPBHVSA-N 1 0 375.944 3.844 10 0 GHAERO Cc1cc(C)c(NC(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(Cl)c1 ZINC000246414598 891231929 /nfs/dbraw/zinc/23/19/29/891231929.db2.gz BTXKZHXTJYBEQH-QFBILLFUSA-N 1 0 375.944 3.844 10 0 GHAERO C[C@H]1C[N@@H+](C2CCN(C(=O)N[C@H](c3ccc(F)cc3)C3CCC3)CC2)CCO1 ZINC000246427976 891235834 /nfs/dbraw/zinc/23/58/34/891235834.db2.gz MNZQNTIOQYASCA-KKSFZXQISA-N 1 0 389.515 3.562 10 0 GHAERO Cc1c2ccccc2oc(=O)c1C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246584102 891288388 /nfs/dbraw/zinc/28/83/88/891288388.db2.gz JADJWOASCNIDSF-SJLPKXTDSA-N 1 0 382.504 3.828 10 0 GHAERO O=C(c1cccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1)N1CCCCC1 ZINC000246590966 891290564 /nfs/dbraw/zinc/29/05/64/891290564.db2.gz LZYLFFJDQMKCBB-LEWJYISDSA-N 1 0 382.504 3.994 10 0 GHAERO C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246789889 891306845 /nfs/dbraw/zinc/30/68/45/891306845.db2.gz MGWRGHGMSUWTBK-MDASCCDHSA-N 1 0 382.439 3.920 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc2nc(Cl)ccc2c1 ZINC000246814975 891310227 /nfs/dbraw/zinc/31/02/27/891310227.db2.gz BSHDQBMYFYTEFS-DNVCBOLYSA-N 1 0 394.906 3.924 10 0 GHAERO C[C@H]1CN(c2ccc(C[NH2+][C@H]3CCCOc4c(Cl)cccc43)cn2)CCO1 ZINC000247224768 891355628 /nfs/dbraw/zinc/35/56/28/891355628.db2.gz XWVAAMUKADQYPB-KXBFYZLASA-N 1 0 387.911 3.964 10 0 GHAERO C[N@@H+]1CCC[C@H]2CN(CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC[C@H]21 ZINC000247282594 891361474 /nfs/dbraw/zinc/36/14/74/891361474.db2.gz SXEDOKFLBYBBEW-BLLLJJGKSA-N 1 0 389.849 3.713 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Cc1ccccc1C(F)(F)F ZINC000247312237 891365781 /nfs/dbraw/zinc/36/57/81/891365781.db2.gz WCZVMRNPWOOUDB-DNVCBOLYSA-N 1 0 391.437 3.670 10 0 GHAERO C[N@@H+]1CC[C@@H](NC(=O)CCc2ncc(-c3ccccc3F)o2)[C@H]1c1ccccc1 ZINC000247911576 891398131 /nfs/dbraw/zinc/39/81/31/891398131.db2.gz AHUZPSUNHNYICY-AUSIDOKSSA-N 1 0 393.462 3.975 10 0 GHAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000247982617 891405701 /nfs/dbraw/zinc/40/57/01/891405701.db2.gz NCKZOJPLRYUOAU-SELNLUPBSA-N 1 0 375.520 3.829 10 0 GHAERO COCc1c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)sc2cccc(F)c21 ZINC000248130191 891410818 /nfs/dbraw/zinc/41/08/18/891410818.db2.gz OJEHHKKWCZPHHH-CZUORRHYSA-N 1 0 376.497 3.743 10 0 GHAERO COc1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)ccc1Cl ZINC000248637463 891450206 /nfs/dbraw/zinc/45/02/06/891450206.db2.gz AGYQJFAERHJCLO-RDTXWAMCSA-N 1 0 388.899 3.776 10 0 GHAERO O=C(NCCC[C@H]1CCCCO1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000248746337 891464959 /nfs/dbraw/zinc/46/49/59/891464959.db2.gz SDRMYNJBKIZRIK-ZWKOTPCHSA-N 1 0 379.570 3.609 10 0 GHAERO Cc1cc(F)cc2c(O)c(C(=O)N[C@H]3CC[N@@H+](C)[C@H]3c3ccccc3)cnc12 ZINC000253556323 891881444 /nfs/dbraw/zinc/88/14/44/891881444.db2.gz LAHSMEHSVNESMM-ICSRJNTNSA-N 1 0 379.435 3.563 10 0 GHAERO CC(C)(C)c1cc(NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)n(C(C)(C)C)n1 ZINC000333103706 899964886 /nfs/dbraw/zinc/96/48/86/899964886.db2.gz FEZDFOWKNRYFID-INIZCTEOSA-N 1 0 375.561 3.932 10 0 GHAERO Cc1ccc(Br)cc1NC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333231455 900054018 /nfs/dbraw/zinc/05/40/18/900054018.db2.gz YIURTBCIIUOHSE-WBVHZDCISA-N 1 0 396.329 3.508 10 0 GHAERO c1cncc(-c2nc3sc4c(c3c(N3CCC5(CC[NH2+]5)CC3)n2)CCCC4)c1 ZINC000333318597 902003003 /nfs/dbraw/zinc/00/30/03/902003003.db2.gz UAFWVLSMZORMOA-UHFFFAOYSA-N 1 0 391.544 3.964 10 0 GHAERO CCN1CCC[C@@H](C[N@H+](C)C[C@H](O)c2ccc(Cl)cc2)[C@@H]1c1cnn(C)c1 ZINC000328632273 212087102 /nfs/dbraw/zinc/08/71/02/212087102.db2.gz LHIMYRKFPNSMNQ-DZFGPLHGSA-N 1 0 390.959 3.512 10 0 GHAERO O=C(NC[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1)c1cccs1 ZINC000015068444 221329825 /nfs/dbraw/zinc/32/98/25/221329825.db2.gz PMEVRQJPNUWJFP-INIZCTEOSA-N 1 0 380.517 3.780 10 0 GHAERO C[N@H+](Cc1ccc(Br)nc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074903 222329661 /nfs/dbraw/zinc/32/96/61/222329661.db2.gz FUGVRJPCOKXJEH-AWEZNQCLSA-N 1 0 384.318 3.675 10 0 GHAERO COc1ccc(-c2nc(NCC3CC[NH2+]CC3)cc(-c3ccncc3)n2)cc1 ZINC000073684330 523222141 /nfs/dbraw/zinc/22/21/41/523222141.db2.gz XOVSXTSLVNIPIO-UHFFFAOYSA-N 1 0 375.476 3.626 10 0 GHAERO C[N@H+](Cc1ccc(-c2nc(-c3ccncc3)cc(=O)[nH]2)cc1)Cc1cccnc1 ZINC000048175404 570220111 /nfs/dbraw/zinc/22/01/11/570220111.db2.gz VUWYCQVUOVJFQA-UHFFFAOYSA-N 1 0 383.455 3.526 10 0 GHAERO CCOc1c(C[NH2+]C[C@@H](O)c2ccccc2)cc(Br)cc1OC ZINC000020476817 570260983 /nfs/dbraw/zinc/26/09/83/570260983.db2.gz WYBFVPSOMQGANZ-MRXNPFEDSA-N 1 0 380.282 3.680 10 0 GHAERO CCCOc1c(Br)cc(Br)cc1C[NH2+][C@H](CC)CO ZINC000020929658 570285310 /nfs/dbraw/zinc/28/53/10/570285310.db2.gz CTUPRBXEHSMVAK-GFCCVEGCSA-N 1 0 395.135 3.861 10 0 GHAERO CCCOc1c(Br)cc(Br)cc1CNCC[NH+](C)C ZINC000020967888 570285529 /nfs/dbraw/zinc/28/55/29/570285529.db2.gz HMYSTHHRNAYXNS-UHFFFAOYSA-N 1 0 394.151 3.652 10 0 GHAERO CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[NH+]2CCC(n3cncn3)CC2)cc1 ZINC000156636719 834483731 /nfs/dbraw/zinc/48/37/31/834483731.db2.gz KHOAACNOJGSMSD-NRFANRHFSA-N 1 0 395.551 3.576 10 0 GHAERO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(OC2CCCCC2)c1 ZINC000119328366 840112338 /nfs/dbraw/zinc/11/23/38/840112338.db2.gz OXONZLZOSANAQL-SFHVURJKSA-N 1 0 386.536 3.629 10 0 GHAERO Fc1ccccc1N1CCN(Cc2cccc(OC[C@H]3CCC[NH2+]C3)c2)CC1 ZINC000299799269 840788443 /nfs/dbraw/zinc/78/84/43/840788443.db2.gz RVDIIWLYFNZNIW-FQEVSTJZSA-N 1 0 383.511 3.526 10 0 GHAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000246429057 841213472 /nfs/dbraw/zinc/21/34/72/841213472.db2.gz MUVHCPWUZPXMJJ-JXFKEZNVSA-N 1 0 384.524 3.906 10 0 GHAERO O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105016918 845927660 /nfs/dbraw/zinc/92/76/60/845927660.db2.gz RYMJOXWZUMWMON-IRXDYDNUSA-N 1 0 393.915 3.600 10 0 GHAERO COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1OC ZINC000155820579 849660299 /nfs/dbraw/zinc/66/02/99/849660299.db2.gz NLUDFXQGMNUGET-BBTUJRGHSA-N 1 0 383.536 3.968 10 0 GHAERO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC(c3cc[nH]n3)CC2)CC1 ZINC000156046085 859620638 /nfs/dbraw/zinc/62/06/38/859620638.db2.gz KLBMCLYWWIXMHH-UHFFFAOYSA-N 1 0 395.551 3.731 10 0 GHAERO CCc1nccn1[C@H]1CCCN(C(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)C1 ZINC000171820885 860428961 /nfs/dbraw/zinc/42/89/61/860428961.db2.gz QWQONDRGCQKPTE-HNNXBMFYSA-N 1 0 382.508 3.714 10 0 GHAERO CCn1c(CN2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)nc2c1cccc2F ZINC000103140957 863931220 /nfs/dbraw/zinc/93/12/20/863931220.db2.gz KTDIBDZJCHGJNY-MRXNPFEDSA-N 1 0 395.482 3.749 10 0 GHAERO C[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccc2c(c1)OCO2 ZINC000103301646 863947615 /nfs/dbraw/zinc/94/76/15/863947615.db2.gz YKKYEQKAQJZVSF-QZTJIDSGSA-N 1 0 387.524 3.774 10 0 GHAERO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N[C@@H](c2ccccc2)c2ccncc2)C1 ZINC000103305453 863948950 /nfs/dbraw/zinc/94/89/50/863948950.db2.gz RBKCXPXFLAQRSG-KNKQGSTJSA-N 1 0 380.536 3.838 10 0 GHAERO CSc1ccccc1NC(=O)CC[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000103472565 863999927 /nfs/dbraw/zinc/99/99/27/863999927.db2.gz QPOUBCAJPLTWLQ-MRXNPFEDSA-N 1 0 391.581 3.610 10 0 GHAERO CC(C)n1c2ccc(C(=O)N3CCC[N@@H+](C4CC4)CC3)cc2nc1C(F)(F)F ZINC000172207304 882186886 /nfs/dbraw/zinc/18/68/86/882186886.db2.gz JZZDIXKFIABASX-UHFFFAOYSA-N 1 0 394.441 3.946 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000173642178 882388632 /nfs/dbraw/zinc/38/86/32/882388632.db2.gz OVCQVIBCVGYKIO-CSILHSIFSA-N 1 0 389.543 3.702 10 0 GHAERO CCOC(=O)c1nc(-c2ccccc2)oc1CN1CCC([NH+]2CCCC2)CC1 ZINC000174136129 882430695 /nfs/dbraw/zinc/43/06/95/882430695.db2.gz LLPBOUWLIWLIAV-UHFFFAOYSA-N 1 0 383.492 3.579 10 0 GHAERO COc1cc(C[NH+]2CCC(c3cc[nH]n3)CC2)ccc1OCc1c(C)noc1C ZINC000092811011 882440393 /nfs/dbraw/zinc/44/03/93/882440393.db2.gz ICCLRARPHGQHIA-UHFFFAOYSA-N 1 0 396.491 3.982 10 0 GHAERO Fc1ccc(-c2ccn(C[NH+]3CCC(c4nnc5ccccn54)CC3)n2)cc1 ZINC000103263667 871558256 /nfs/dbraw/zinc/55/82/56/871558256.db2.gz ORANBIDKEHJDRG-UHFFFAOYSA-N 1 0 376.439 3.569 10 0 GHAERO CCOc1cc(F)ccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116487245 873515941 /nfs/dbraw/zinc/51/59/41/873515941.db2.gz PDXAKXNGXKKTQZ-MAUKXSAKSA-N 1 0 386.471 3.652 10 0 GHAERO CC[C@H](NC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1nccs1 ZINC000177540025 882811524 /nfs/dbraw/zinc/81/15/24/882811524.db2.gz UMGPHCFSNKMWDL-JZXOWHBKSA-N 1 0 394.585 3.515 10 0 GHAERO CCOc1ccc([C@H](CC)[NH2+]Cc2cccnc2-n2cncn2)cc1OCC ZINC000178056726 882860874 /nfs/dbraw/zinc/86/08/74/882860874.db2.gz UNPGPFCNIYUHDF-SFHVURJKSA-N 1 0 381.480 3.701 10 0 GHAERO O=C(NC1CC[NH+](CC2CC2)CC1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000178533512 882902073 /nfs/dbraw/zinc/90/20/73/882902073.db2.gz ZFMOVUPXOYQSBE-FQEVSTJZSA-N 1 0 383.536 3.997 10 0 GHAERO C[C@@H]([NH2+]C[C@@H]1CCN(C)c2ccccc21)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000180017491 883045966 /nfs/dbraw/zinc/04/59/66/883045966.db2.gz PVBVWPYSKXHOGB-ZBFHGGJFSA-N 1 0 376.497 3.504 10 0 GHAERO C[C@@H]([NH2+]CC[C@H]1c2ccccc2NC1=O)c1ccc(NC(=O)NC2CC2)cc1 ZINC000180400039 883055230 /nfs/dbraw/zinc/05/52/30/883055230.db2.gz MCQGUFPKEXYIMC-KUHUBIRLSA-N 1 0 378.476 3.747 10 0 GHAERO Cc1ccc(-c2ccc(C(=O)N3CCCC[C@H](N4CC[NH+](C)CC4)C3)s2)o1 ZINC000183205797 883272823 /nfs/dbraw/zinc/27/28/23/883272823.db2.gz CNLDXKRQTVQISY-KRWDZBQOSA-N 1 0 387.549 3.559 10 0 GHAERO COc1ccc(NC(=O)N2CCCN(c3ccccn3)CC2)cc1OC(C)C ZINC000184181939 883327237 /nfs/dbraw/zinc/32/72/37/883327237.db2.gz RALNOBCYHCGQOW-UHFFFAOYSA-N 1 0 384.480 3.622 10 0 GHAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc3c(c2)OCCO3)c2ccc(F)cc2C1 ZINC000184517675 883351444 /nfs/dbraw/zinc/35/14/44/883351444.db2.gz NMSLUNYEGQEUDL-VLIAUNLRSA-N 1 0 384.451 3.741 10 0 GHAERO CC(C)[C@@](C)(O)C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000184995497 883409597 /nfs/dbraw/zinc/40/95/97/883409597.db2.gz FVSZUEWNLUJDPP-SFHVURJKSA-N 1 0 383.330 3.507 10 0 GHAERO Cc1ccc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)cc1NC(=O)c1ccccc1 ZINC000186545096 883663226 /nfs/dbraw/zinc/66/32/26/883663226.db2.gz SYYODOTVAUIFOI-IBGZPJMESA-N 1 0 377.488 3.604 10 0 GHAERO O=C(CC[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)c1ccc(F)cc1F ZINC000187194292 883760874 /nfs/dbraw/zinc/76/08/74/883760874.db2.gz GDSVDPBACNOBDC-UHFFFAOYSA-N 1 0 388.414 3.594 10 0 GHAERO C[C@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1ncc(Br)cc1F ZINC000187315812 883768610 /nfs/dbraw/zinc/76/86/10/883768610.db2.gz KPIPPIPTOWLFMA-GWCFXTLKSA-N 1 0 378.245 3.760 10 0 GHAERO O=C(Nc1cccc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)c1)c1cccs1 ZINC000188748210 883866746 /nfs/dbraw/zinc/86/67/46/883866746.db2.gz NDODLFKEUQIQMT-UHFFFAOYSA-N 1 0 377.469 3.534 10 0 GHAERO C[C@@H](NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1nccs1 ZINC000106281916 886031060 /nfs/dbraw/zinc/03/10/60/886031060.db2.gz CWKCWFFRKJAUEG-CYBMUJFWSA-N 1 0 378.929 3.821 10 0 GHAERO C[C@@H](c1ccc(Br)cc1)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000112340675 886259583 /nfs/dbraw/zinc/25/95/83/886259583.db2.gz AIAHYYDPGVSQHQ-AWEZNQCLSA-N 1 0 378.314 3.579 10 0 GHAERO O=c1cc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)nc2sccn21 ZINC000114200847 886308159 /nfs/dbraw/zinc/30/81/59/886308159.db2.gz SHOQQDZVSNIYHC-INIZCTEOSA-N 1 0 391.500 3.526 10 0 GHAERO O=c1[nH]c(CC[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)nc2ccccc21 ZINC000114481700 886313522 /nfs/dbraw/zinc/31/35/22/886313522.db2.gz IVMMKUPOMLLBEM-GOSISDBHSA-N 1 0 399.498 3.735 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cccc2cccnc21 ZINC000116412140 886361557 /nfs/dbraw/zinc/36/15/57/886361557.db2.gz UZNXAGQOWPKKQM-LPHOPBHVSA-N 1 0 375.476 3.662 10 0 GHAERO O=C(Nc1cc(F)ccc1OCC(F)(F)F)N1CCC([NH+]2CCCC2)CC1 ZINC000124820355 886802160 /nfs/dbraw/zinc/80/21/60/886802160.db2.gz HGXQMNMKMRXFPV-UHFFFAOYSA-N 1 0 389.393 3.859 10 0 GHAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)[C@@H](C)C1 ZINC000245428852 888750591 /nfs/dbraw/zinc/75/05/91/888750591.db2.gz MUMZFSLZIUSFGR-YOEHRIQHSA-N 1 0 390.915 3.511 10 0 GHAERO C[N@@H+]1CC[C@H](CNC(=O)CC[C@H]2CCCCO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245667763 889193325 /nfs/dbraw/zinc/19/33/25/889193325.db2.gz HLIDIIPNOWQQLW-QINHECLXSA-N 1 0 382.907 3.937 10 0 GHAERO CCC(CC)n1ncc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1C ZINC000245706184 889389177 /nfs/dbraw/zinc/38/91/77/889389177.db2.gz XSFFGIYOXJQMMU-IIBYNOLFSA-N 1 0 383.540 3.588 10 0 GHAERO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc([C@H](C)O)cc1 ZINC000246155099 890558203 /nfs/dbraw/zinc/55/82/03/890558203.db2.gz KLQIARADNOSGPJ-SIKLNZKXSA-N 1 0 395.547 3.794 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N1CC=C(c2cccs2)CC1 ZINC000246625937 891293028 /nfs/dbraw/zinc/29/30/28/891293028.db2.gz CHFQTXWWCAHYHT-FXAWDEMLSA-N 1 0 396.560 3.852 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccccc1N1CCCC1 ZINC000246830319 891312330 /nfs/dbraw/zinc/31/23/30/891312330.db2.gz CKEGPEJMLGBRDQ-AZUAARDMSA-N 1 0 393.535 3.714 10 0 GHAERO CCOc1cccc([C@H](C)NC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000246858359 891316855 /nfs/dbraw/zinc/31/68/55/891316855.db2.gz DUJJAOIQMROVSC-KGVIQGDOSA-N 1 0 396.535 3.751 10 0 GHAERO C[N@@H+]1CCC[C@H]2CN(CC(=O)Nc3c(Cl)cccc3C(F)(F)F)CC[C@H]21 ZINC000247024735 891334774 /nfs/dbraw/zinc/33/47/74/891334774.db2.gz QNBPKZFHEATKME-SWLSCSKDSA-N 1 0 389.849 3.713 10 0 GHAERO Cc1nc2cc(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)ccc2o1 ZINC000246926693 891345909 /nfs/dbraw/zinc/34/59/09/891345909.db2.gz IEYQHIVXCJJEEQ-KDOFPFPSSA-N 1 0 379.464 3.563 10 0 GHAERO COc1ccc([C@H](C)N(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000247569983 891387440 /nfs/dbraw/zinc/38/74/40/891387440.db2.gz WKSBKFIEZLLGSG-NPPFBWRTSA-N 1 0 396.535 3.703 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(Cc1ccccc1)C1CC1 ZINC000247570046 891388503 /nfs/dbraw/zinc/38/85/03/891388503.db2.gz WLHPLKYXKAINBX-PGRDOPGGSA-N 1 0 378.520 3.666 10 0 GHAERO Cc1oc(-c2cccs2)nc1CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000247919789 891400469 /nfs/dbraw/zinc/40/04/69/891400469.db2.gz BNUGENYSVZTYKF-JXFKEZNVSA-N 1 0 381.501 3.816 10 0 GHAERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(NC(=O)Nc4ccccc4)s3)CC[C@H]21 ZINC000248151891 891412140 /nfs/dbraw/zinc/41/21/40/891412140.db2.gz QVNLVWJAECZYEL-DOTOQJQBSA-N 1 0 398.532 3.948 10 0 GHAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)C1(Cc2cccc(F)c2)CCC1 ZINC000248463040 891437979 /nfs/dbraw/zinc/43/79/79/891437979.db2.gz ACEPYIJQKZOKKT-PGRDOPGGSA-N 1 0 395.522 3.960 10 0 GHAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)C[C@@H]1C ZINC000248775692 891468075 /nfs/dbraw/zinc/46/80/75/891468075.db2.gz YZUALDKRBOLUEW-CWWINAKGSA-N 1 0 390.499 3.577 10 0 GHAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000249427778 891506365 /nfs/dbraw/zinc/50/63/65/891506365.db2.gz IZUNBLUDYLZHBK-OLMNPRSZSA-N 1 0 398.473 3.712 10 0 GHAERO C[C@@H](NC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)c1cccc(C(F)(F)F)c1 ZINC000249691001 891515916 /nfs/dbraw/zinc/51/59/16/891515916.db2.gz SATSRKRIQHPYFR-HUUCEWRRSA-N 1 0 399.457 3.661 10 0 GHAERO C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000253551579 891878694 /nfs/dbraw/zinc/87/86/94/891878694.db2.gz ZACMMUOXUNLVPT-FGTMMUONSA-N 1 0 398.551 3.608 10 0 GHAERO C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000333093600 899954068 /nfs/dbraw/zinc/95/40/68/899954068.db2.gz CUBKTFBFLIMRNM-LAUBAEHRSA-N 1 0 398.551 3.697 10 0 GHAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccc(Br)s4)nn3)C[C@@H]21 ZINC000333128656 899985500 /nfs/dbraw/zinc/98/55/00/899985500.db2.gz AQLSGYNXZVNIAK-GRYCIOLGSA-N 1 0 379.327 3.531 10 0 GHAERO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2nc3c(s2)CCCCCC3)CC1 ZINC000333361027 902034700 /nfs/dbraw/zinc/03/47/00/902034700.db2.gz STUYTKMRAHJHGG-MAUKXSAKSA-N 1 0 392.569 3.552 10 0 GHAERO O=C([C@@H]1CC12CC[NH+](Cc1ccc(OC(F)(F)F)cc1)CC2)N1CCCC1 ZINC000362342558 917221102 /nfs/dbraw/zinc/22/11/02/917221102.db2.gz QXZFKAHJEXOEIG-KRWDZBQOSA-N 1 0 382.426 3.810 10 0 GHAERO CCc1oc(C(=O)NCc2ccccc2-n2ccnc2)cc1C[NH+]1CCCC1 ZINC000055074073 924035125 /nfs/dbraw/zinc/03/51/25/924035125.db2.gz CIFAHELXQSHALY-UHFFFAOYSA-N 1 0 378.476 3.554 10 0 GHAERO O=C(CCc1cc(F)ccc1Br)N1CCC([NH+]2CCCC2)CC1 ZINC000182288267 1014569682 /nfs/dbraw/zinc/56/96/82/1014569682.db2.gz CRXWYPOPZVDCTB-UHFFFAOYSA-N 1 0 383.305 3.608 10 0 GHAERO O=C(CCN(c1cc[nH+]cc1)c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000003619462 212146705 /nfs/dbraw/zinc/14/67/05/212146705.db2.gz AKIHAKQGGGPNCN-UHFFFAOYSA-N 1 0 380.275 3.775 10 0 GHAERO CCOc1cc(C[NH2+]CCOCCO)cc(Cl)c1OCc1ccc(F)cc1 ZINC000010435699 221102927 /nfs/dbraw/zinc/10/29/27/221102927.db2.gz ZDTYCOOZSBIZQR-UHFFFAOYSA-N 1 0 397.874 3.555 10 0 GHAERO COc1cccc2c1OCC(C[NH2+][C@H]1CCCc3c1cnn3-c1ccccn1)=C2 ZINC000015064980 221327510 /nfs/dbraw/zinc/32/75/10/221327510.db2.gz AYDLZZKJYYLPQG-IBGZPJMESA-N 1 0 388.471 3.719 10 0 GHAERO CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccnc(Br)c1 ZINC000095086526 222330022 /nfs/dbraw/zinc/33/00/22/222330022.db2.gz RNYZTWSQSNHQRM-CQSZACIVSA-N 1 0 384.318 3.723 10 0 GHAERO O=C(NCCc1ccsc1)c1cnn(-c2ccc(F)cc2)c1C1CC[NH2+]CC1 ZINC000007000475 570420343 /nfs/dbraw/zinc/42/03/43/570420343.db2.gz XUIYKOWSZRNDNZ-UHFFFAOYSA-N 1 0 398.507 3.512 10 0 GHAERO O=C1CC[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)CCN1Cc1ccncc1 ZINC000012452437 570723392 /nfs/dbraw/zinc/72/33/92/570723392.db2.gz ZHJKUSHPXMXTKI-UHFFFAOYSA-N 1 0 383.495 3.887 10 0 GHAERO O=C(NCCC1=CCCCC1)c1cccnc1N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000065255757 570753936 /nfs/dbraw/zinc/75/39/36/570753936.db2.gz HUBVTEZRTINXDM-JOCHJYFZSA-N 1 0 390.531 3.853 10 0 GHAERO CC(C)(C)OC(=O)N[C@@H]1CC2(CC[NH2+]CC2)Oc2cc(Br)ccc21 ZINC000675068456 570906018 /nfs/dbraw/zinc/90/60/18/570906018.db2.gz AAUBXVPVQDXFPW-CQSZACIVSA-N 1 0 397.313 3.920 10 0 GHAERO