smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(Cc1cccc(F)c1)C(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000302831626 971339170 /nfs/dbraw/zinc/33/91/70/971339170.db2.gz CCSOMHVHWAJDIO-OAQYLSRUSA-N 1 0 400.494 3.561 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3c(F)cccc3Cl)cc2F)CC1 ZINC000303250565 971580127 /nfs/dbraw/zinc/58/01/27/971580127.db2.gz ASSAUZQXCSXXHP-UHFFFAOYSA-N 1 0 407.892 3.619 20 10 HHCDRO Cc1cc(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(C)n1-c1cccc(C)c1 ZINC000303332952 971636878 /nfs/dbraw/zinc/63/68/78/971636878.db2.gz UBNSLSWPOKMAAC-HSZRJFAPSA-N 1 0 408.590 3.645 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@@H](C)c3cccc(C)c3C)CC2)cc1 ZINC000303738934 971993304 /nfs/dbraw/zinc/99/33/04/971993304.db2.gz XSOHQVYMEBPNNS-NRFANRHFSA-N 1 0 424.589 3.885 20 10 HHCDRO COC(=O)c1cc2ccccc2c(C[NH+]2CCC(c3nnc4ccccn43)CC2)c1O ZINC000016873784 963126054 /nfs/dbraw/zinc/12/60/54/963126054.db2.gz IAUYWMFLNCMWFJ-UHFFFAOYSA-N 1 0 416.481 3.754 20 10 HHCDRO COc1ccc(N2CCC(NC(=O)NC[C@H](C(C)C)[NH+]3CCCCCC3)CC2)cc1 ZINC000110419672 969665397 /nfs/dbraw/zinc/66/53/97/969665397.db2.gz FEZVGVAHKFDKEA-HSZRJFAPSA-N 1 0 416.610 3.864 20 10 HHCDRO Cc1cc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000110443374 969669003 /nfs/dbraw/zinc/66/90/03/969669003.db2.gz KTTVONKQNITQPB-NRFANRHFSA-N 1 0 424.589 3.535 20 10 HHCDRO COc1cccc(C[NH2+][C@@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)c1O ZINC000237412360 970280268 /nfs/dbraw/zinc/28/02/68/970280268.db2.gz JLFZESOFBHXRES-QFIPXVFZSA-N 1 0 411.523 3.992 20 10 HHCDRO COc1cc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc2c1OCO2 ZINC000237427713 970283979 /nfs/dbraw/zinc/28/39/79/970283979.db2.gz NYHLMCLLEQULJV-HNNXBMFYSA-N 1 0 406.429 3.784 20 10 HHCDRO Cc1cc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1-n1cncn1 ZINC000237763726 970359494 /nfs/dbraw/zinc/35/94/94/970359494.db2.gz GRXDZXROHJEMKF-GOSISDBHSA-N 1 0 413.472 3.936 20 10 HHCDRO Fc1cc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)ccc1N1CCOCC1 ZINC000237806883 970371232 /nfs/dbraw/zinc/37/12/32/970371232.db2.gz POHFDKMNMHKRKB-UHFFFAOYSA-N 1 0 412.505 3.993 20 10 HHCDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000252118609 970554569 /nfs/dbraw/zinc/55/45/69/970554569.db2.gz KNCVRNNDKXHYQA-SFHLNBCPSA-N 1 0 417.594 3.839 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2nnc(C(F)(F)F)s2)C1 ZINC000435628065 980967168 /nfs/dbraw/zinc/96/71/68/980967168.db2.gz PHBMXXIZHOHGRF-UHFFFAOYSA-N 1 0 423.464 3.917 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCCCNc2ccccn2)C1 ZINC000444177520 986355406 /nfs/dbraw/zinc/35/54/06/986355406.db2.gz WZDAVBAGEBHYBT-UHFFFAOYSA-N 1 0 419.573 3.811 20 10 HHCDRO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)CC(=O)c2ccco2)C1 ZINC000444300713 986486199 /nfs/dbraw/zinc/48/61/99/986486199.db2.gz ANKBGAOLWLWYPG-KRWDZBQOSA-N 1 0 407.514 3.779 20 10 HHCDRO COc1ccc([C@H](CNC(=O)NCc2c(C)c3ccccc3n2C)[NH+](C)C)cc1OC ZINC000471496526 989694096 /nfs/dbraw/zinc/69/40/96/989694096.db2.gz PURQJSDQNPXJOE-NRFANRHFSA-N 1 0 424.545 3.606 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc(CC[NH+](C)C)cc3)ccc21 ZINC000467060209 992368643 /nfs/dbraw/zinc/36/86/43/992368643.db2.gz XJCYFLYVHHHPBG-UHFFFAOYSA-N 1 0 407.558 3.939 20 10 HHCDRO CC[NH+](CC)CCOC1CCN(C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000472239356 993267596 /nfs/dbraw/zinc/26/75/96/993267596.db2.gz LOQUCDRTMFQMDW-UHFFFAOYSA-N 1 0 400.567 3.519 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)Nc3cccc(C[N@@H+]4CC[C@H](O)C4)c3)ccc21 ZINC000552518176 1012536347 /nfs/dbraw/zinc/53/63/47/1012536347.db2.gz VWOOTTLSJQZPMS-QFIPXVFZSA-N 1 0 421.541 3.723 20 10 HHCDRO CC[NH+]1CCN(c2ccc(NC(=O)N3CCOc4cc(N(C)C)ccc43)c(C)c2)CC1 ZINC000542058152 1012974088 /nfs/dbraw/zinc/97/40/88/1012974088.db2.gz IRRAGBHPNOHCGF-UHFFFAOYSA-N 1 0 423.561 3.634 20 10 HHCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=S)NCC2CC[NH+](C)CC2)cc1 ZINC000760479765 1072387846 /nfs/dbraw/zinc/38/78/46/1072387846.db2.gz SCNAAPKJMXXNND-UHFFFAOYSA-N 1 0 400.592 3.564 20 10 HHCDRO CC[C@H](OC1CCCCC1)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000760521443 1072503438 /nfs/dbraw/zinc/50/34/38/1072503438.db2.gz VHAURTYRKAAWDK-QFIPXVFZSA-N 1 0 405.558 3.712 20 10 HHCDRO C[C@@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000760661021 1072547943 /nfs/dbraw/zinc/54/79/43/1072547943.db2.gz APVFLIMLTRYZLL-GOSISDBHSA-N 1 0 403.567 3.821 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@]3(CCCO3)[C@H]2C2CC2)C1 ZINC000571083010 1072557168 /nfs/dbraw/zinc/55/71/68/1072557168.db2.gz ZHBHDKAPRNWIKA-JWQCQUIFSA-N 1 0 407.558 3.578 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCC[C@H]2c2cc[nH]n2)C1 ZINC000571308499 1072600576 /nfs/dbraw/zinc/60/05/76/1072600576.db2.gz KPNITBUVLGJKTM-QHCPKHFHSA-N 1 0 405.546 3.885 20 10 HHCDRO COc1cnccc1-c1noc(Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)n1 ZINC000571721473 1072711210 /nfs/dbraw/zinc/71/12/10/1072711210.db2.gz TXZARRZZSLFNEL-UHFFFAOYSA-N 1 0 403.486 3.910 20 10 HHCDRO CCOC(=O)c1c(NC(=O)CC[N@@H+]2C[C@H](O)C[C@H]2C)sc(C)c1-c1ccccc1 ZINC000761105528 1075429862 /nfs/dbraw/zinc/42/98/62/1075429862.db2.gz OEDGLFNAFHGREM-RHSMWYFYSA-N 1 0 416.543 3.684 20 10 HHCDRO COc1cc(Cl)cc(C[N@H+](C)[C@@H](CO)c2cccc(Br)c2)c1O ZINC000761206246 1075593598 /nfs/dbraw/zinc/59/35/98/1075593598.db2.gz UQJXDCLAUYJAEC-HNNXBMFYSA-N 1 0 400.700 3.982 20 10 HHCDRO COc1cc(Cl)cc(C[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1O ZINC000761216398 1075632986 /nfs/dbraw/zinc/63/29/86/1075632986.db2.gz QKWABEIELWJUJL-OALUTQOASA-N 1 0 411.329 3.869 20 10 HHCDRO C[C@H]([NH2+]C(C)(C)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1ccccc1 ZINC000761240455 1075712137 /nfs/dbraw/zinc/71/21/37/1075712137.db2.gz RUAOXDZEPZAXRV-HNNXBMFYSA-N 1 0 415.921 3.939 20 10 HHCDRO C[C@@H]([NH2+]C(C)(C)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1ccccc1 ZINC000761240457 1075712199 /nfs/dbraw/zinc/71/21/99/1075712199.db2.gz RUAOXDZEPZAXRV-OAHLLOKOSA-N 1 0 415.921 3.939 20 10 HHCDRO Cc1cc(O)c(C[NH+]2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1C(C)C ZINC000302936712 971406293 /nfs/dbraw/zinc/40/62/93/971406293.db2.gz JLQLROXIRFAIJI-UHFFFAOYSA-N 1 0 420.550 3.906 20 10 HHCDRO CC[NH+](CC)[C@@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1 ZINC000303162519 971535734 /nfs/dbraw/zinc/53/57/34/971535734.db2.gz AAXFLAOYWQUZAA-XMMPIXPASA-N 1 0 409.574 3.595 20 10 HHCDRO Cc1cc(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c(C)n1-c1cccc(C(C)C)c1 ZINC000303583573 971875716 /nfs/dbraw/zinc/87/57/16/971875716.db2.gz RUYUCVDZCZJTPA-LJQANCHMSA-N 1 0 410.606 3.831 20 10 HHCDRO CN(C)C(=O)Nc1cccc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c1 ZINC000303816492 972049115 /nfs/dbraw/zinc/04/91/15/972049115.db2.gz OKKIETRCRYJMLM-UHFFFAOYSA-N 1 0 421.545 3.564 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNC(=S)Nc3cccc(C)c3C)CC2)cc1 ZINC000007027531 960982562 /nfs/dbraw/zinc/98/25/62/960982562.db2.gz GSDOZARQIDERSJ-UHFFFAOYSA-N 1 0 412.603 3.811 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNC(=S)Nc3cccc(Cl)c3)CC2)cc1 ZINC000018169102 963282372 /nfs/dbraw/zinc/28/23/72/963282372.db2.gz CTEKMZDKQCWWOJ-UHFFFAOYSA-N 1 0 418.994 3.847 20 10 HHCDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]Cc1cccc2c1OCCO2 ZINC000054175786 965409872 /nfs/dbraw/zinc/40/98/72/965409872.db2.gz RPGJWRVEOGVTAA-UHFFFAOYSA-N 1 0 408.420 3.603 20 10 HHCDRO CN(C)c1ccc(CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000054401650 965504882 /nfs/dbraw/zinc/50/48/82/965504882.db2.gz OOEXOEHNOCBXFN-UHFFFAOYSA-N 1 0 400.954 3.870 20 10 HHCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccccc2S(=O)(=O)N2CCCCC2)cc1 ZINC000030659748 965758149 /nfs/dbraw/zinc/75/81/49/965758149.db2.gz YIBRWUXJHNGTGI-UHFFFAOYSA-N 1 0 415.603 3.997 20 10 HHCDRO COc1ccc(N2CCC[N@H+](CC(=O)N[C@H](C)c3ccc(Cl)cc3)CC2)cc1 ZINC000097476964 969143626 /nfs/dbraw/zinc/14/36/26/969143626.db2.gz BGEAMOLGHYVUSC-QGZVFWFLSA-N 1 0 401.938 3.738 20 10 HHCDRO COc1ccc(N2CCC[N@H+](CCC(=O)N[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000097476988 969143873 /nfs/dbraw/zinc/14/38/73/969143873.db2.gz RKFVAVZUFHIMMO-XMMPIXPASA-N 1 0 407.558 3.791 20 10 HHCDRO COc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000097494617 969147730 /nfs/dbraw/zinc/14/77/30/969147730.db2.gz XEYQWCMPSIRDIQ-YHLJFGAHSA-N 1 0 411.590 3.681 20 10 HHCDRO CCN(CC)c1ccc(CNC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)cc1 ZINC000195742503 969994748 /nfs/dbraw/zinc/99/47/48/969994748.db2.gz PADOGPVLLNVBNG-UHFFFAOYSA-N 1 0 408.590 3.993 20 10 HHCDRO Fc1ccc(C[NH2+]Cc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1F ZINC000139819194 970047550 /nfs/dbraw/zinc/04/75/50/970047550.db2.gz GHCLOPJDTRSFIL-UHFFFAOYSA-N 1 0 413.447 3.510 20 10 HHCDRO C[C@H](NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000139989214 970057722 /nfs/dbraw/zinc/05/77/22/970057722.db2.gz ZXNPQQBRUUALQU-UXHICEINSA-N 1 0 402.583 3.538 20 10 HHCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3c[nH]nc3-c3cccc(C)c3)CC2)cc1 ZINC000237274104 970252385 /nfs/dbraw/zinc/25/23/85/970252385.db2.gz HLNCJBHGAMSDBQ-UHFFFAOYSA-N 1 0 419.573 3.696 20 10 HHCDRO COc1ccc(O)c(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)c1 ZINC000237282834 970254881 /nfs/dbraw/zinc/25/48/81/970254881.db2.gz FEDMSLZNTCOIOU-UHFFFAOYSA-N 1 0 400.482 3.997 20 10 HHCDRO COc1ccc([C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)N2CCCCC2)cc1 ZINC000237325851 970263300 /nfs/dbraw/zinc/26/33/00/970263300.db2.gz JCRFAHURMNCZND-RUZDIDTESA-N 1 0 409.574 3.849 20 10 HHCDRO CN(C)c1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000148963821 970376708 /nfs/dbraw/zinc/37/67/08/970376708.db2.gz DCLMUMCJTCCHNG-KRWDZBQOSA-N 1 0 404.555 3.665 20 10 HHCDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]Cc3ccccc3N3CCOCC3)C2)cc1 ZINC000237914794 970392533 /nfs/dbraw/zinc/39/25/33/970392533.db2.gz CPWYJIYIOJTFES-LJQANCHMSA-N 1 0 417.500 3.883 20 10 HHCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+]Cc3ccccc3N3CCOCC3)C2)cc1 ZINC000237916960 970394768 /nfs/dbraw/zinc/39/47/68/970394768.db2.gz CPWYJIYIOJTFES-IBGZPJMESA-N 1 0 417.500 3.883 20 10 HHCDRO COc1ccc(CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)c(OC)c1 ZINC000435616911 980963891 /nfs/dbraw/zinc/96/38/91/980963891.db2.gz UPJRSPWEWMDGFY-UHFFFAOYSA-N 1 0 421.541 3.741 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(C(=O)N(C)C)c2)C1 ZINC000435635933 980969856 /nfs/dbraw/zinc/96/98/56/980969856.db2.gz LLPYABIROYCKBA-UHFFFAOYSA-N 1 0 418.541 3.748 20 10 HHCDRO COc1ccc(CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)cc1OC ZINC000435660135 980977158 /nfs/dbraw/zinc/97/71/58/980977158.db2.gz RUBQZUPUEXGYBG-UHFFFAOYSA-N 1 0 421.541 3.741 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCCC[C@@H]2n2cccn2)C1 ZINC000435823885 981046593 /nfs/dbraw/zinc/04/65/93/981046593.db2.gz BJGSIFDJOZBESN-URXFXBBRSA-N 1 0 419.573 3.904 20 10 HHCDRO Cc1cc(C2CCN(C(=O)Cn3c4ccccc4c4c3CC[N@@H+](C(C)C)C4)CC2)[nH]n1 ZINC000444351876 986533951 /nfs/dbraw/zinc/53/39/51/986533951.db2.gz LIVVEUBMWUWYIZ-UHFFFAOYSA-N 1 0 419.573 3.846 20 10 HHCDRO Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000471125295 989232154 /nfs/dbraw/zinc/23/21/54/989232154.db2.gz PSGQTVZZAQPKBE-UHFFFAOYSA-N 1 0 405.546 3.869 20 10 HHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000472190589 993230040 /nfs/dbraw/zinc/23/00/40/993230040.db2.gz NJQWZBIVKZDPNL-OAQYLSRUSA-N 1 0 420.557 3.577 20 10 HHCDRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000472802625 993739208 /nfs/dbraw/zinc/73/92/08/993739208.db2.gz KXYJRDJIDSJRGO-UHFFFAOYSA-N 1 0 406.530 3.583 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cc([C@H]3CCCO3)[nH]n2)C1 ZINC000473849770 994786850 /nfs/dbraw/zinc/78/68/50/994786850.db2.gz LKZAGPDNUSQZLP-OAQYLSRUSA-N 1 0 407.518 3.621 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)N(CC[NH+](C)C)Cc3ccccn3)ccc21 ZINC000500750470 1003936395 /nfs/dbraw/zinc/93/63/95/1003936395.db2.gz UNXFRFRCRMZOPK-UHFFFAOYSA-N 1 0 408.546 3.504 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H](c3ccnn3C)C2)C1 ZINC000512560143 1004385593 /nfs/dbraw/zinc/38/55/93/1004385593.db2.gz RZQBOQPAWRLFFF-LJQANCHMSA-N 1 0 419.573 3.548 20 10 HHCDRO Cc1nnc([C@H]2CCCCN2C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)[nH]1 ZINC000513939458 1005196028 /nfs/dbraw/zinc/19/60/28/1005196028.db2.gz FNPHFNBDKDWDNT-JOCHJYFZSA-N 1 0 420.561 3.588 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@]3(CCCO3)[C@@H]2C2CC2)C1 ZINC000571083011 1072557319 /nfs/dbraw/zinc/55/73/19/1072557319.db2.gz ZHBHDKAPRNWIKA-LOSJGSFVSA-N 1 0 407.558 3.578 20 10 HHCDRO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000760580647 1072712790 /nfs/dbraw/zinc/71/27/90/1072712790.db2.gz SCLXNDXRLYOAAE-QFBILLFUSA-N 1 0 423.891 3.596 20 10 HHCDRO COC(=O)c1ccc(CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)cc1 ZINC000555851767 1073902926 /nfs/dbraw/zinc/90/29/26/1073902926.db2.gz QAQSTRASMKGRBA-UHFFFAOYSA-N 1 0 419.525 3.511 20 10 HHCDRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000760862925 1074456169 /nfs/dbraw/zinc/45/61/69/1074456169.db2.gz DKUKXDFXXJSJJY-UHFFFAOYSA-N 1 0 403.320 3.858 20 10 HHCDRO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C1CC[NH+](CC2CCCCC2)CC1 ZINC000761154251 1075543200 /nfs/dbraw/zinc/54/32/00/1075543200.db2.gz JUQPSMVUGUYDCX-UHFFFAOYSA-N 1 0 419.953 3.855 20 10 HHCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c1O ZINC000761192647 1075577026 /nfs/dbraw/zinc/57/70/26/1075577026.db2.gz WLYPHPZUBLROQP-GFCCVEGCSA-N 1 0 410.301 3.953 20 10 HHCDRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000761201035 1075586691 /nfs/dbraw/zinc/58/66/91/1075586691.db2.gz CQLDPNBFQPQQLQ-GFCCVEGCSA-N 1 0 408.848 3.677 20 10 HHCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)c1O ZINC000761214848 1075619288 /nfs/dbraw/zinc/61/92/88/1075619288.db2.gz FVOTWCWRYSQNAJ-CYBMUJFWSA-N 1 0 419.827 3.894 20 10 HHCDRO CN(Cc1cnc2ccc(Br)cn12)c1ccc(OCC[NH+](C)C)cc1 ZINC000761222703 1075657432 /nfs/dbraw/zinc/65/74/32/1075657432.db2.gz LUGSUJLZEFNPMB-UHFFFAOYSA-N 1 0 403.324 3.674 20 10 HHCDRO CCSc1cccnc1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001127182284 1075704629 /nfs/dbraw/zinc/70/46/29/1075704629.db2.gz VLSPNWBSJFYKSX-UHFFFAOYSA-N 1 0 410.587 3.656 20 10 HHCDRO c1ccc(-c2nnc(NCc3ccc(N4CC[NH+](CC5CC5)CC4)cc3)s2)nc1 ZINC000302220164 971211006 /nfs/dbraw/zinc/21/10/06/971211006.db2.gz LYRBKAATBSDRMP-UHFFFAOYSA-N 1 0 406.559 3.744 20 10 HHCDRO CC1CCN(c2ccc(CNC(=O)NC3CC[NH+](Cc4ccccn4)CC3)cc2)CC1 ZINC000303372448 971667066 /nfs/dbraw/zinc/66/70/66/971667066.db2.gz KLUIBTAHEYCMBQ-UHFFFAOYSA-N 1 0 421.589 3.782 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000011853459 962201747 /nfs/dbraw/zinc/20/17/47/962201747.db2.gz NKJVVXWCRRDPEK-UHFFFAOYSA-N 1 0 409.574 3.935 20 10 HHCDRO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000021997430 963574625 /nfs/dbraw/zinc/57/46/25/963574625.db2.gz WELASLOJOJSTBF-UHFFFAOYSA-N 1 0 405.454 3.520 20 10 HHCDRO CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000096971039 969068336 /nfs/dbraw/zinc/06/83/36/969068336.db2.gz PPBULQUPLJESNK-KRWDZBQOSA-N 1 0 420.912 3.824 20 10 HHCDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000108011232 969351481 /nfs/dbraw/zinc/35/14/81/969351481.db2.gz GYLGZPRCLXUCKW-PMACEKPBSA-N 1 0 418.651 3.797 20 10 HHCDRO CCC[N@H+](CC(=O)Nc1ccccc1C(=O)NCc1ccco1)Cc1ccccc1O ZINC000110078762 969620176 /nfs/dbraw/zinc/62/01/76/969620176.db2.gz KIHWHABAQVLSPV-UHFFFAOYSA-N 1 0 421.497 3.766 20 10 HHCDRO COc1ccc(N2CCC(NC(=O)NCc3ccccc3C[NH+]3CCCC3)CC2)cc1 ZINC000110461529 969671606 /nfs/dbraw/zinc/67/16/06/969671606.db2.gz NOHHMRTYEYZXFX-UHFFFAOYSA-N 1 0 422.573 3.759 20 10 HHCDRO Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000110707846 969711424 /nfs/dbraw/zinc/71/14/24/969711424.db2.gz ONOKUJIVCZFTND-VWLOTQADSA-N 1 0 416.569 3.813 20 10 HHCDRO COC(=O)Nc1ccc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000195633959 969922151 /nfs/dbraw/zinc/92/21/51/969922151.db2.gz NYVPEASEQARKGA-UHFFFAOYSA-N 1 0 408.502 3.649 20 10 HHCDRO C[C@H](c1ccccc1)[N@H+](CC(=O)NC(=O)NCc1ccco1)Cc1ccccc1O ZINC000216482786 970075279 /nfs/dbraw/zinc/07/52/79/970075279.db2.gz BJOPWLAHEBKVGL-QGZVFWFLSA-N 1 0 407.470 3.574 20 10 HHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000236965464 970196210 /nfs/dbraw/zinc/19/62/10/970196210.db2.gz HVADQBUOEWNZNO-UHFFFAOYSA-N 1 0 423.582 3.693 20 10 HHCDRO COc1cc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c([N+](=O)[O-])cc1O ZINC000237427547 970284113 /nfs/dbraw/zinc/28/41/13/970284113.db2.gz AYJYZFSMNONIHC-AWEZNQCLSA-N 1 0 423.416 3.669 20 10 HHCDRO CS(=O)(=O)c1cccc(Oc2ncccc2C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000237478209 970295326 /nfs/dbraw/zinc/29/53/26/970295326.db2.gz HUHJMSMUKQAUJI-UHFFFAOYSA-N 1 0 410.495 3.502 20 10 HHCDRO Cn1cc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(-c2ccncc2)n1 ZINC000237786930 970367211 /nfs/dbraw/zinc/36/72/11/970367211.db2.gz CHKXSTNSMNDLDK-SFHVURJKSA-N 1 0 413.472 3.842 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)NCCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)ccc21 ZINC000434786815 980398047 /nfs/dbraw/zinc/39/80/47/980398047.db2.gz IMKUVCFMJVOFHC-HDICACEKSA-N 1 0 415.578 3.524 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cc(C(N)=O)ccc2Cl)C1 ZINC000435625646 980966028 /nfs/dbraw/zinc/96/60/28/980966028.db2.gz HBNZHTSINOTCOE-UHFFFAOYSA-N 1 0 424.932 3.799 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(-n3ccnn3)cc2)C1 ZINC000435715412 980998105 /nfs/dbraw/zinc/99/81/05/980998105.db2.gz BEASLIUEIAVQMQ-UHFFFAOYSA-N 1 0 414.513 3.627 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc3nc[nH]c(=O)c3c2)C1 ZINC000435755057 981017475 /nfs/dbraw/zinc/01/74/75/981017475.db2.gz ZNVANIHZUFMGTK-UHFFFAOYSA-N 1 0 415.497 3.695 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCCC[C@H]2n2cccn2)C1 ZINC000435823887 981046356 /nfs/dbraw/zinc/04/63/56/981046356.db2.gz BJGSIFDJOZBESN-ZJSXRUAMSA-N 1 0 419.573 3.904 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000435905924 981085705 /nfs/dbraw/zinc/08/57/05/981085705.db2.gz DAXTYQLNPGSODM-WVQWTBLQSA-N 1 0 421.585 3.872 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCCc2ccc(O)cc2)C1 ZINC000444261333 986458743 /nfs/dbraw/zinc/45/87/43/986458743.db2.gz RBXOEDUEYQEVRG-UHFFFAOYSA-N 1 0 405.542 3.862 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCc2c[nH]c3ncccc23)C1 ZINC000444267305 986462406 /nfs/dbraw/zinc/46/24/06/986462406.db2.gz JYKQVJHSQKQGFL-UHFFFAOYSA-N 1 0 415.541 3.643 20 10 HHCDRO CC(=O)c1ccc(CNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)nc1C ZINC000444318104 986499365 /nfs/dbraw/zinc/49/93/65/986499365.db2.gz XEHSUEJVYRCMMM-UHFFFAOYSA-N 1 0 418.541 3.630 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H]2C2CCOCC2)C1 ZINC000444347248 986530477 /nfs/dbraw/zinc/53/04/77/986530477.db2.gz XFHNFYPVJFXYBG-JOCHJYFZSA-N 1 0 409.574 3.825 20 10 HHCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)c2c1 ZINC000760430427 1072349676 /nfs/dbraw/zinc/34/96/76/1072349676.db2.gz ZXQJDYKRMURNBN-QVKFZJNVSA-N 1 0 416.518 3.668 20 10 HHCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)c2c1 ZINC000760430434 1072349711 /nfs/dbraw/zinc/34/97/11/1072349711.db2.gz ZXQJDYKRMURNBN-YCRPNKLZSA-N 1 0 416.518 3.668 20 10 HHCDRO CC(C)(C)OC(=O)N1CCC(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000760661233 1072547908 /nfs/dbraw/zinc/54/79/08/1072547908.db2.gz CZKXOXKPCGPIGY-UHFFFAOYSA-N 1 0 421.557 3.524 20 10 HHCDRO COc1ccc2c(c1)c1c(n2CC(=O)N(CC[NH+](C)C)Cc2ccco2)CCCC1 ZINC001126916588 1074019382 /nfs/dbraw/zinc/01/93/82/1074019382.db2.gz PIEUIZHJGVDRTH-UHFFFAOYSA-N 1 0 409.530 3.712 20 10 HHCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000760869939 1074493640 /nfs/dbraw/zinc/49/36/40/1074493640.db2.gz YGGSPZMVXCKYGJ-INIZCTEOSA-N 1 0 419.319 3.898 20 10 HHCDRO COc1cc(Cl)cc(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1O ZINC000761191838 1075579248 /nfs/dbraw/zinc/57/92/48/1075579248.db2.gz XONMQEZGUQEEFQ-UHFFFAOYSA-N 1 0 406.885 3.722 20 10 HHCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)c1O ZINC000761198848 1075581185 /nfs/dbraw/zinc/58/11/85/1075581185.db2.gz WACRJHJGKUZJNP-GOSISDBHSA-N 1 0 411.329 3.871 20 10 HHCDRO CCN(CC)c1ccc(C[NH+]2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000761220189 1075651123 /nfs/dbraw/zinc/65/11/23/1075651123.db2.gz VTHPCFPUEVKCQY-UHFFFAOYSA-N 1 0 413.562 3.881 20 10 HHCDRO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000302758232 971305746 /nfs/dbraw/zinc/30/57/46/971305746.db2.gz NGONXGMXUCMHPU-XMMPIXPASA-N 1 0 423.557 3.580 20 10 HHCDRO CCN(Cc1cccs1)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000303277796 971593866 /nfs/dbraw/zinc/59/38/66/971593866.db2.gz HRWIYUHYSXUIGT-UHFFFAOYSA-N 1 0 404.555 3.761 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3ccc(C(F)(F)F)cc3)cc2F)CC1 ZINC000303284757 971598434 /nfs/dbraw/zinc/59/84/34/971598434.db2.gz JOHACONVSDJBGI-UHFFFAOYSA-N 1 0 423.454 3.845 20 10 HHCDRO CN(C)c1ccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1F ZINC000303466621 971769437 /nfs/dbraw/zinc/76/94/37/971769437.db2.gz MQLKJJXMRROCNG-SEJPIABJSA-N 1 0 410.537 3.887 20 10 HHCDRO Cc1cc(C(=O)N(C)CCCN2CC[NH+](C)CC2)c(C)n1-c1cccc(C(C)C)c1 ZINC000303521182 971822075 /nfs/dbraw/zinc/82/20/75/971822075.db2.gz QCAIAQDACLWNPP-UHFFFAOYSA-N 1 0 410.606 3.927 20 10 HHCDRO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000010056339 961735217 /nfs/dbraw/zinc/73/52/17/961735217.db2.gz QXWOQVIKQLGEFA-JOCHJYFZSA-N 1 0 420.601 3.846 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNC(=S)Nc3ccc(C)cc3C)CC2)cc1 ZINC000018169105 963282493 /nfs/dbraw/zinc/28/24/93/963282493.db2.gz PWKUPPJAYLDZSS-UHFFFAOYSA-N 1 0 412.603 3.811 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNc3ccc4ncccc4c3[N+](=O)[O-])CC2)cc1 ZINC000059376270 966018756 /nfs/dbraw/zinc/01/87/56/966018756.db2.gz OBVYAZKMXZCOHL-UHFFFAOYSA-N 1 0 421.501 3.776 20 10 HHCDRO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000064228392 967093505 /nfs/dbraw/zinc/09/35/05/967093505.db2.gz SKNKCWOFLAJMLK-LJQANCHMSA-N 1 0 410.562 3.535 20 10 HHCDRO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1 ZINC000064229301 967094566 /nfs/dbraw/zinc/09/45/66/967094566.db2.gz OTVOICXUONGXDK-UHFFFAOYSA-N 1 0 410.562 3.569 20 10 HHCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C)cc2=O ZINC000108856162 969426858 /nfs/dbraw/zinc/42/68/58/969426858.db2.gz SDXTVIVNEHDEFL-SFHVURJKSA-N 1 0 400.454 3.628 20 10 HHCDRO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000139985482 970057566 /nfs/dbraw/zinc/05/75/66/970057566.db2.gz CJHYAMXYNFQFID-FQEVSTJZSA-N 1 0 404.599 3.594 20 10 HHCDRO COc1ccc(N2CCC[N@H+](C[C@@H](O)CO[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000226821393 970112246 /nfs/dbraw/zinc/11/22/46/970112246.db2.gz WZQRWECBTLQWEA-RCZVLFRGSA-N 1 0 410.558 3.662 20 10 HHCDRO CCOc1cccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)c1O ZINC000236914020 970189041 /nfs/dbraw/zinc/18/90/41/970189041.db2.gz FAVJKLRVVZRRBW-UHFFFAOYSA-N 1 0 410.436 3.936 20 10 HHCDRO COc1cc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc2c1OCCO2 ZINC000237365080 970270459 /nfs/dbraw/zinc/27/04/59/970270459.db2.gz OZIYHJSHZVWRNG-MRXNPFEDSA-N 1 0 420.456 3.826 20 10 HHCDRO COc1cccc(C[NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1O ZINC000237421239 970282682 /nfs/dbraw/zinc/28/26/82/970282682.db2.gz JAIKQILLSUMKNE-QGZVFWFLSA-N 1 0 408.420 3.873 20 10 HHCDRO FC(F)(F)c1ccc(N2CCC([NH2+]Cc3ccc(N4CCOCC4)cc3)CC2)nc1 ZINC000237722232 970346876 /nfs/dbraw/zinc/34/68/76/970346876.db2.gz NVSKAYWAIWAWMR-UHFFFAOYSA-N 1 0 420.479 3.696 20 10 HHCDRO COCCCOc1cccc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c1 ZINC000303959187 972543482 /nfs/dbraw/zinc/54/34/82/972543482.db2.gz BMHCSJHFBJFKHP-UHFFFAOYSA-N 1 0 423.557 3.886 20 10 HHCDRO Cc1noc([C@H]2CCCN(C(=O)Cn3c4ccccc4c4c3CC[N@@H+](C(C)C)C4)C2)n1 ZINC000435492094 980901146 /nfs/dbraw/zinc/90/11/46/980901146.db2.gz DATUILFOAXEZPZ-SFHVURJKSA-N 1 0 421.545 3.505 20 10 HHCDRO CNC(=O)c1cccc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)c1C ZINC000435550142 980936421 /nfs/dbraw/zinc/93/64/21/980936421.db2.gz XMHIWIBPCGDYJH-UHFFFAOYSA-N 1 0 418.541 3.715 20 10 HHCDRO COCc1ccc(CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)cc1 ZINC000435630000 980967202 /nfs/dbraw/zinc/96/72/02/980967202.db2.gz VPYWVTIXDPMXNN-UHFFFAOYSA-N 1 0 405.542 3.871 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)c2cccnc2N(C)C)C1 ZINC000435822858 981046438 /nfs/dbraw/zinc/04/64/38/981046438.db2.gz VUYLZIODEYRQHI-UHFFFAOYSA-N 1 0 405.546 3.532 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCCC[C@H]2n2cccn2)C1 ZINC000435823886 981046483 /nfs/dbraw/zinc/04/64/83/981046483.db2.gz BJGSIFDJOZBESN-XUZZJYLKSA-N 1 0 419.573 3.904 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(-c3nc[nH]n3)cc2)C1 ZINC000435862435 981064596 /nfs/dbraw/zinc/06/45/96/981064596.db2.gz ZFQXEPUXAVEAJY-UHFFFAOYSA-N 1 0 414.513 3.832 20 10 HHCDRO Cc1noc(C)c1[C@@H](C)CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435909733 981087767 /nfs/dbraw/zinc/08/77/67/981087767.db2.gz URDIQWHQHYWXEJ-INIZCTEOSA-N 1 0 408.546 3.933 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC3(CCC3)[C@H]2[C@H]2CCCO2)C1 ZINC000461306126 983005080 /nfs/dbraw/zinc/00/50/80/983005080.db2.gz PLMIOZKGTFGWQE-ILBGXUMGSA-N 1 0 421.585 3.968 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCCc3[nH]c(=O)ccc32)C1 ZINC000443909310 986108254 /nfs/dbraw/zinc/10/82/54/986108254.db2.gz QYJXAMDERDJOHR-OAQYLSRUSA-N 1 0 418.541 3.702 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@H](c3ccco3)C2)C1 ZINC000444244369 986436816 /nfs/dbraw/zinc/43/68/16/986436816.db2.gz JQZNTDIAWQYZSM-QHCPKHFHSA-N 1 0 407.514 3.601 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)C1 ZINC000473849769 994786814 /nfs/dbraw/zinc/78/68/14/994786814.db2.gz LKZAGPDNUSQZLP-NRFANRHFSA-N 1 0 407.518 3.621 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](c3cccc(OC)c3)[NH+](C)C)ccc21 ZINC000484933395 997309877 /nfs/dbraw/zinc/30/98/77/997309877.db2.gz JKILVRMLJYGYTL-XMMPIXPASA-N 1 0 423.557 3.946 20 10 HHCDRO Cc1ccccc1[C@@H](CO)NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000514837981 1006165564 /nfs/dbraw/zinc/16/55/64/1006165564.db2.gz UPPKBEVEAWEJJX-JOCHJYFZSA-N 1 0 405.542 3.566 20 10 HHCDRO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000760942343 1074703451 /nfs/dbraw/zinc/70/34/51/1074703451.db2.gz FFECWLLCGFFXPB-MRXNPFEDSA-N 1 0 419.934 3.708 20 10 HHCDRO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000760943171 1074703937 /nfs/dbraw/zinc/70/39/37/1074703937.db2.gz LLKSQJGYSXPARS-LJQANCHMSA-N 1 0 413.905 3.647 20 10 HHCDRO Cc1noc(-c2cccnc2NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000301930190 971120876 /nfs/dbraw/zinc/12/08/76/971120876.db2.gz NVZGYFFGQYGDTG-UHFFFAOYSA-N 1 0 404.518 3.584 20 10 HHCDRO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000303325387 971631248 /nfs/dbraw/zinc/63/12/48/971631248.db2.gz BPACFHUENJGBQT-DYESRHJHSA-N 1 0 400.494 3.732 20 10 HHCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000303402217 971684104 /nfs/dbraw/zinc/68/41/04/971684104.db2.gz RWBPNWQOOOBAAM-CQSZACIVSA-N 1 0 400.700 3.680 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3F)cc2F)CC1 ZINC000303534299 971835449 /nfs/dbraw/zinc/83/54/49/971835449.db2.gz RXWNOHZPXJODJK-RBUKOAKNSA-N 1 0 417.475 3.666 20 10 HHCDRO CCc1ccc(NC(=S)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000007027525 960982399 /nfs/dbraw/zinc/98/23/99/960982399.db2.gz DNRFZZGKDWMGRP-UHFFFAOYSA-N 1 0 412.603 3.756 20 10 HHCDRO COc1ccc(Br)cc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000015571787 962796690 /nfs/dbraw/zinc/79/66/90/962796690.db2.gz JWRCVYJJRABKKE-UHFFFAOYSA-N 1 0 405.336 3.926 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNC(=S)Nc3ccccc3Cl)CC2)cc1 ZINC000018169083 963282227 /nfs/dbraw/zinc/28/22/27/963282227.db2.gz ZKVJVTYFUYDFAT-UHFFFAOYSA-N 1 0 418.994 3.847 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CCc3ccc(Cl)cc3)CC2)cc1 ZINC000024617574 964031299 /nfs/dbraw/zinc/03/12/99/964031299.db2.gz XRXIZEMIGMOBBG-UHFFFAOYSA-N 1 0 415.965 3.610 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H](SC)[C@@H]([NH+]4CCCC4)C3)ccc21 ZINC000542769335 1013672465 /nfs/dbraw/zinc/67/24/65/1013672465.db2.gz RFHBXMMYBYGNGP-VXKWHMMOSA-N 1 0 415.603 3.556 20 10 HHCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C)cc2=O ZINC000108856165 969426831 /nfs/dbraw/zinc/42/68/31/969426831.db2.gz SDXTVIVNEHDEFL-GOSISDBHSA-N 1 0 400.454 3.628 20 10 HHCDRO COc1ccc(N2CCC(NC(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)CC2)cc1 ZINC000110425077 969666878 /nfs/dbraw/zinc/66/68/78/969666878.db2.gz FWBXTHSKAYLHHL-DEOSSOPVSA-N 1 0 422.573 3.800 20 10 HHCDRO Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000110707850 969711598 /nfs/dbraw/zinc/71/15/98/969711598.db2.gz ONOKUJIVCZFTND-RUZDIDTESA-N 1 0 416.569 3.813 20 10 HHCDRO CN(C)c1ccc(CNC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000116204227 969880599 /nfs/dbraw/zinc/88/05/99/969880599.db2.gz OYGWERZGBOSGEG-OAQYLSRUSA-N 1 0 405.464 3.823 20 10 HHCDRO CCOC(=O)C1CCN(C(=O)C[N@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)CC1 ZINC000216476980 970075391 /nfs/dbraw/zinc/07/53/91/970075391.db2.gz QLUOIIJYIMKTJF-LJQANCHMSA-N 1 0 424.541 3.757 20 10 HHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H]2CCc3nc(COC)nn3C2)cc1 ZINC000236973633 970198005 /nfs/dbraw/zinc/19/80/05/970198005.db2.gz HXZYSNWJYZXRTG-NRFANRHFSA-N 1 0 405.546 3.556 20 10 HHCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1 ZINC000237076485 970219016 /nfs/dbraw/zinc/21/90/16/970219016.db2.gz KBKSLUQLNGUTDU-FQEVSTJZSA-N 1 0 424.463 3.973 20 10 HHCDRO CN(C)c1ccc(C[NH2+]Cc2cccnc2Oc2cccc(S(C)(=O)=O)c2)cc1 ZINC000237127014 970227263 /nfs/dbraw/zinc/22/72/63/970227263.db2.gz DDAYQSXJJNSJCN-UHFFFAOYSA-N 1 0 411.527 3.633 20 10 HHCDRO Cn1cc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(-c2cccnc2)n1 ZINC000237785494 970366968 /nfs/dbraw/zinc/36/69/68/970366968.db2.gz DPAYULZLBLSPFM-GOSISDBHSA-N 1 0 413.472 3.842 20 10 HHCDRO COCc1cccc(CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)c1 ZINC000435540163 980929801 /nfs/dbraw/zinc/92/98/01/980929801.db2.gz AGWJOZADNYQVOC-UHFFFAOYSA-N 1 0 405.542 3.871 20 10 HHCDRO CCNC(=O)c1ccc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)cc1 ZINC000435542597 980931143 /nfs/dbraw/zinc/93/11/43/980931143.db2.gz FUQPYGQWKUAGBI-UHFFFAOYSA-N 1 0 418.541 3.796 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc([S@@](C)=O)c2)C1 ZINC000435876238 981072977 /nfs/dbraw/zinc/07/29/77/981072977.db2.gz HOEZPTAWTJHURP-GDLZYMKVSA-N 1 0 409.555 3.784 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(-n3ccnn3)c2)C1 ZINC000435901872 981083893 /nfs/dbraw/zinc/08/38/93/981083893.db2.gz JOIXHDMYVCKHPR-UHFFFAOYSA-N 1 0 414.513 3.627 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](C3CCOCC3)C2)C1 ZINC000435916844 981091183 /nfs/dbraw/zinc/09/11/83/981091183.db2.gz KDMZQABIBRKHTE-HXUWFJFHSA-N 1 0 409.574 3.683 20 10 HHCDRO Cc1cnc2c(c1)N(C(=O)Cn1c3ccccc3c3c1CC[N@@H+](C(C)C)C3)CCO2 ZINC000436045848 981177681 /nfs/dbraw/zinc/17/76/81/981177681.db2.gz ZWPOBNDJHQAZDO-UHFFFAOYSA-N 1 0 404.514 3.537 20 10 HHCDRO Cc1ccc2nc(CNC(=O)Cn3c4ccccc4c4c3CC[N@@H+](C(C)C)C4)cn2c1 ZINC000460322752 982099446 /nfs/dbraw/zinc/09/94/46/982099446.db2.gz DZRCMSHMFQFKQP-UHFFFAOYSA-N 1 0 415.541 3.680 20 10 HHCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000472230638 993259727 /nfs/dbraw/zinc/25/97/27/993259727.db2.gz GXEFZIFQPPPILD-UHFFFAOYSA-N 1 0 405.546 3.940 20 10 HHCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000472232854 993261290 /nfs/dbraw/zinc/26/12/90/993261290.db2.gz ZMWFXWRXWOTRSI-FQEVSTJZSA-N 1 0 405.546 3.545 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)ccc21 ZINC000481906000 994777884 /nfs/dbraw/zinc/77/78/84/994777884.db2.gz HFADEZCQCSOOGZ-JOCHJYFZSA-N 1 0 405.542 3.909 20 10 HHCDRO NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000760575843 1072630589 /nfs/dbraw/zinc/63/05/89/1072630589.db2.gz JUGBVUSVSOXVCP-IBGZPJMESA-N 1 0 423.891 3.596 20 10 HHCDRO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CC1([NH+]2CCCCC2)CCCCC1 ZINC000760929129 1074695475 /nfs/dbraw/zinc/69/54/75/1074695475.db2.gz PTSGVOFAYVDBRQ-UHFFFAOYSA-N 1 0 419.953 3.999 20 10 HHCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c1O ZINC000761216764 1075632963 /nfs/dbraw/zinc/63/29/63/1075632963.db2.gz RADHASFTTYMWJC-MRXNPFEDSA-N 1 0 402.857 3.556 20 10 HHCDRO CCc1sc(C(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1C ZINC000302900329 971380653 /nfs/dbraw/zinc/38/06/53/971380653.db2.gz RGONGTIYNYQTBG-UHFFFAOYSA-N 1 0 401.576 3.570 20 10 HHCDRO COC(=O)Nc1ccccc1C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000303272887 971591290 /nfs/dbraw/zinc/59/12/90/971591290.db2.gz RQXUWKIGGNBBSU-UHFFFAOYSA-N 1 0 408.502 3.649 20 10 HHCDRO CCN(CC)c1ccc(CNC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1F ZINC000303301173 971611174 /nfs/dbraw/zinc/61/11/74/971611174.db2.gz CTYUYYWLJYKMBQ-OAQYLSRUSA-N 1 0 404.505 3.913 20 10 HHCDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1F ZINC000303301169 971611264 /nfs/dbraw/zinc/61/12/64/971611264.db2.gz CTYUYYWLJYKMBQ-NRFANRHFSA-N 1 0 404.505 3.913 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H](c4ccccc4)C3)cc2F)CC1 ZINC000303322120 971629091 /nfs/dbraw/zinc/62/90/91/971629091.db2.gz RNKUUJNHGTVDQB-OAQYLSRUSA-N 1 0 410.537 3.667 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)[C@@H]3CCc4ccccc43)cc2F)CC1 ZINC000303338242 971640467 /nfs/dbraw/zinc/64/04/67/971640467.db2.gz VMQCCONWVDVWGF-JOCHJYFZSA-N 1 0 410.537 3.797 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C[C@H]3CCOc4ccccc43)cc2F)CC1 ZINC000303684284 971960765 /nfs/dbraw/zinc/96/07/65/971960765.db2.gz NLBIYRVHHFFQHL-LJQANCHMSA-N 1 0 411.521 3.540 20 10 HHCDRO CCc1ccccc1NC(=O)CN1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000020666192 963392262 /nfs/dbraw/zinc/39/22/62/963392262.db2.gz GZNAPIRBXMNTPF-UHFFFAOYSA-N 1 0 403.526 3.864 20 10 HHCDRO CC(=O)Nc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 ZINC000048745170 964050386 /nfs/dbraw/zinc/05/03/86/964050386.db2.gz IDVUZFCEAGXXAH-UHFFFAOYSA-N 1 0 407.436 3.790 20 10 HHCDRO CCCc1nc(C)c(CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)o1 ZINC000554164706 1013831401 /nfs/dbraw/zinc/83/14/01/1013831401.db2.gz GRTOEXNRXZFYSR-UHFFFAOYSA-N 1 0 408.546 3.973 20 10 HHCDRO COc1cccc([C@H](CNC(=O)NCc2ccc3c(c2)CCCN3C)[NH+]2CCCC2)c1 ZINC000195741026 969994022 /nfs/dbraw/zinc/99/40/22/969994022.db2.gz UARBLJZBOZWVHL-DEOSSOPVSA-N 1 0 422.573 3.714 20 10 HHCDRO Fc1ccc(F)c(C[NH2+]Cc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 ZINC000139816342 970047644 /nfs/dbraw/zinc/04/76/44/970047644.db2.gz SPGAWXIMXNNXGQ-UHFFFAOYSA-N 1 0 413.447 3.510 20 10 HHCDRO Cc1cc(=O)n2nc(C[N@H+](Cc3ccccc3O)[C@@H](C)c3ccccc3)sc2n1 ZINC000216486290 970075449 /nfs/dbraw/zinc/07/54/49/970075449.db2.gz OZMMGXHYLLBDDY-INIZCTEOSA-N 1 0 406.511 3.928 20 10 HHCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000237080459 970219471 /nfs/dbraw/zinc/21/94/71/970219471.db2.gz VABGMELPJHRYFY-UHFFFAOYSA-N 1 0 410.436 3.936 20 10 HHCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3cnc(C(C)(C)C)s3)CC2)cc1 ZINC000237273146 970252226 /nfs/dbraw/zinc/25/22/26/970252226.db2.gz GPJIJSWZPIPFKO-UHFFFAOYSA-N 1 0 402.608 3.751 20 10 HHCDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000237914928 970392972 /nfs/dbraw/zinc/39/29/72/970392972.db2.gz AGCLKRWWYJPZHT-LJQANCHMSA-N 1 0 417.500 3.883 20 10 HHCDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000252118612 970554731 /nfs/dbraw/zinc/55/47/31/970554731.db2.gz KNCVRNNDKXHYQA-SVFBPWRDSA-N 1 0 417.594 3.839 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)NCCCC[NH+]3C[C@H](C)O[C@@H](C)C3)ccc21 ZINC000434786823 980398261 /nfs/dbraw/zinc/39/82/61/980398261.db2.gz IMKUVCFMJVOFHC-ROUUACIJSA-N 1 0 415.578 3.524 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccccc2-n2ccnn2)C1 ZINC000435528786 980923021 /nfs/dbraw/zinc/92/30/21/980923021.db2.gz CYVLFMXIAWRYMG-UHFFFAOYSA-N 1 0 414.513 3.627 20 10 HHCDRO COCCn1nc(C)c(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)c1C ZINC000444252666 986447763 /nfs/dbraw/zinc/44/77/63/986447763.db2.gz WSPSOKFMBYYQHX-UHFFFAOYSA-N 1 0 423.561 3.506 20 10 HHCDRO Cc1ccc(-c2nc(NC(=O)Cn3c4ccccc4c4c3CC[N@@H+](C(C)C)C4)n[nH]2)o1 ZINC000444823181 986978220 /nfs/dbraw/zinc/97/82/20/986978220.db2.gz OTRJDAIHRLZBIN-UHFFFAOYSA-N 1 0 418.501 3.733 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2nc3cc(Cl)ccn3n2)C1 ZINC000464644701 988825282 /nfs/dbraw/zinc/82/52/82/988825282.db2.gz AZXJGMPCBSGBEV-UHFFFAOYSA-N 1 0 422.920 3.743 20 10 HHCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000472272073 993293596 /nfs/dbraw/zinc/29/35/96/993293596.db2.gz DQAWCRMZCWBRTQ-OYRHEFFESA-N 1 0 402.542 3.760 20 10 HHCDRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000472791583 993729841 /nfs/dbraw/zinc/72/98/41/993729841.db2.gz SJWYARBLXOXKFN-UHFFFAOYSA-N 1 0 406.530 3.583 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)NCC[N@@H+]3CCc4ccccc4C3)ccc21 ZINC000482463731 995467997 /nfs/dbraw/zinc/46/79/97/995467997.db2.gz JGZJDKUSSKZWGI-UHFFFAOYSA-N 1 0 405.542 3.693 20 10 HHCDRO Cc1nc([C@](C)(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C2CC2)no1 ZINC000497611563 1001458407 /nfs/dbraw/zinc/45/84/07/1001458407.db2.gz PIMMFSXTKXZRIO-XMMPIXPASA-N 1 0 421.545 3.541 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H](c3ccnn3C)C2)C1 ZINC000512560135 1004385348 /nfs/dbraw/zinc/38/53/48/1004385348.db2.gz RZQBOQPAWRLFFF-IBGZPJMESA-N 1 0 419.573 3.548 20 10 HHCDRO CC[NH+](CC)CCOc1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000541092599 1011736894 /nfs/dbraw/zinc/73/68/94/1011736894.db2.gz FNOVWFXDGBJYPR-UHFFFAOYSA-N 1 0 412.534 3.904 20 10 HHCDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142512603 1072408729 /nfs/dbraw/zinc/40/87/29/1072408729.db2.gz FTKJKUBVXMKUMI-IBGZPJMESA-N 1 0 417.500 3.569 20 10 HHCDRO COc1ccc2c(c1)C[C@H]([NH+]1CCN(c3ccc(OCc4cccnc4)cc3)CC1)C2 ZINC001168292118 1072448050 /nfs/dbraw/zinc/44/80/50/1072448050.db2.gz RBMRXZUKPGDVOT-XMMPIXPASA-N 1 0 415.537 3.959 20 10 HHCDRO COc1cc(Cl)cc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)c1O ZINC000761197987 1075585955 /nfs/dbraw/zinc/58/59/55/1075585955.db2.gz JWKDBNUHDRBZMZ-UHFFFAOYSA-N 1 0 414.683 3.878 20 10 HHCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)c1O ZINC000761208342 1075604165 /nfs/dbraw/zinc/60/41/65/1075604165.db2.gz ZAMFZCPMQMLCFA-SFHVURJKSA-N 1 0 411.329 3.871 20 10 HHCDRO COc1cc(Cl)cc(C[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c1O ZINC000761216396 1075632954 /nfs/dbraw/zinc/63/29/54/1075632954.db2.gz QKWABEIELWJUJL-MOPGFXCFSA-N 1 0 411.329 3.869 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNc3cc(C)nc(-c4cccnc4)n3)cc2F)CC1 ZINC000301204782 970807213 /nfs/dbraw/zinc/80/72/13/970807213.db2.gz RUSIHCSCOUSZPP-UHFFFAOYSA-N 1 0 406.509 3.740 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3cccc(OC(C)C)c3)cc2F)CC1 ZINC000303281398 971596474 /nfs/dbraw/zinc/59/64/74/971596474.db2.gz ISIDJIVIZKDIKX-UHFFFAOYSA-N 1 0 413.537 3.614 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNS(=O)(=O)c3ccc(C(C)C)cc3)cc2F)CC1 ZINC000303296128 971607448 /nfs/dbraw/zinc/60/74/48/971607448.db2.gz LXSNHJGQJNRSOO-UHFFFAOYSA-N 1 0 419.566 3.570 20 10 HHCDRO Fc1ccc(N2CCN(c3cc(C[NH2+]Cc4ccc5c(c4)CCO5)ccn3)CC2)cc1 ZINC000054175784 965409316 /nfs/dbraw/zinc/40/93/16/965409316.db2.gz WDCHJBJLLHYNDH-UHFFFAOYSA-N 1 0 418.516 3.772 20 10 HHCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CC2)Cc2ccccc2CNC3=O)c(O)c1 ZINC000071993478 968921616 /nfs/dbraw/zinc/92/16/16/968921616.db2.gz KXHYRFICZXSVMX-UHFFFAOYSA-N 1 0 407.558 3.693 20 10 HHCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)Cc1c3ccccc3oc1CC)cc2=O ZINC000097475831 969142727 /nfs/dbraw/zinc/14/27/27/969142727.db2.gz KGYWPKKIXBKZKU-UHFFFAOYSA-N 1 0 408.458 3.552 20 10 HHCDRO COc1cccc([C@@H](CNC(=O)NCc2ccc(N(C)C)c(F)c2)[NH+]2CCCC2)c1 ZINC000195741013 969994095 /nfs/dbraw/zinc/99/40/95/969994095.db2.gz QGXKMYJSCVBCCY-JOCHJYFZSA-N 1 0 414.525 3.537 20 10 HHCDRO Fc1ccc(C[NH2+]Cc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c(F)c1 ZINC000139820491 970048219 /nfs/dbraw/zinc/04/82/19/970048219.db2.gz QKBMNVMIRSQOHJ-UHFFFAOYSA-N 1 0 413.447 3.510 20 10 HHCDRO FC(F)(F)c1ccc([C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)N2CCOCC2)cc1 ZINC000237726593 970347460 /nfs/dbraw/zinc/34/74/60/970347460.db2.gz ZTYSMCYURUTBBN-HXUWFJFHSA-N 1 0 406.448 3.803 20 10 HHCDRO Cn1cc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(-c2cccnc2)n1 ZINC000237786897 970366887 /nfs/dbraw/zinc/36/68/87/970366887.db2.gz DPAYULZLBLSPFM-SFHVURJKSA-N 1 0 413.472 3.842 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCOCc2ccccc2)C1 ZINC000435816400 981043306 /nfs/dbraw/zinc/04/33/06/981043306.db2.gz JJMIQGARLCXVHZ-UHFFFAOYSA-N 1 0 405.542 3.741 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(-c3nc[nH]n3)c2)C1 ZINC000435878385 981074534 /nfs/dbraw/zinc/07/45/34/981074534.db2.gz ZZWJWZURCVSILF-UHFFFAOYSA-N 1 0 414.513 3.832 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2COc3ccc(F)cc32)C1 ZINC000436003839 981147067 /nfs/dbraw/zinc/14/70/67/981147067.db2.gz IPQUWVVQHWNRJZ-HXUWFJFHSA-N 1 0 407.489 3.797 20 10 HHCDRO CC[NH+]1CCN(c2cccc(NC(=O)NCc3c(C)c4ccccc4n3C)c2)CC1 ZINC000468004561 985655175 /nfs/dbraw/zinc/65/51/75/985655175.db2.gz MNJSKZQYELORHS-UHFFFAOYSA-N 1 0 405.546 3.950 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCCc3[nH]c(=O)ccc32)C1 ZINC000443909307 986108215 /nfs/dbraw/zinc/10/82/15/986108215.db2.gz QYJXAMDERDJOHR-NRFANRHFSA-N 1 0 418.541 3.702 20 10 HHCDRO Cc1[nH]nc2ncc(NC(=O)Cn3c4ccccc4c4c3CC[N@@H+](C(C)C)C4)cc12 ZINC000443988323 986189901 /nfs/dbraw/zinc/18/99/01/986189901.db2.gz MIJDXHSGKRZBJK-UHFFFAOYSA-N 1 0 402.502 3.626 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2c[nH]nc2-c2ccccn2)C1 ZINC000444344672 986525343 /nfs/dbraw/zinc/52/53/43/986525343.db2.gz YLUCXSSJDPMHKJ-UHFFFAOYSA-N 1 0 414.513 3.832 20 10 HHCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000472232856 993261553 /nfs/dbraw/zinc/26/15/53/993261553.db2.gz ZMWFXWRXWOTRSI-HXUWFJFHSA-N 1 0 405.546 3.545 20 10 HHCDRO COc1cccc(CN(CC[NH+](C)C)C(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000472232904 993261907 /nfs/dbraw/zinc/26/19/07/993261907.db2.gz NVNBWHYMMCXWSM-UHFFFAOYSA-N 1 0 408.546 3.769 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)NC3CC[NH+](Cc4ccncc4)CC3)ccc21 ZINC000484712748 997051980 /nfs/dbraw/zinc/05/19/80/997051980.db2.gz YDHMFCILNPZUKP-UHFFFAOYSA-N 1 0 420.557 3.694 20 10 HHCDRO Cc1nc([C@@](C)(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C2CC2)no1 ZINC000497611562 1001458315 /nfs/dbraw/zinc/45/83/15/1001458315.db2.gz PIMMFSXTKXZRIO-DEOSSOPVSA-N 1 0 421.545 3.541 20 10 HHCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000513683337 1005080783 /nfs/dbraw/zinc/08/07/83/1005080783.db2.gz JKLMUSVYBWZAMB-IBGZPJMESA-N 1 0 415.484 3.635 20 10 HHCDRO Cc1n[nH]cc1C1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CC1 ZINC000517600718 1007802426 /nfs/dbraw/zinc/80/24/26/1007802426.db2.gz DYJMQUKJJBIRDY-UHFFFAOYSA-N 1 0 419.573 3.846 20 10 HHCDRO COc1ccc2c(c1)C[C@@H]([NH+]1CCN(c3ccc(OCc4cccnc4)cc3)CC1)C2 ZINC001168292115 1072448031 /nfs/dbraw/zinc/44/80/31/1072448031.db2.gz RBMRXZUKPGDVOT-DEOSSOPVSA-N 1 0 415.537 3.959 20 10 HHCDRO C[C@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000760661024 1072547894 /nfs/dbraw/zinc/54/78/94/1072547894.db2.gz APVFLIMLTRYZLL-SFHVURJKSA-N 1 0 403.567 3.821 20 10 HHCDRO NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000760580641 1072712457 /nfs/dbraw/zinc/71/24/57/1072712457.db2.gz SCLXNDXRLYOAAE-APWZRJJASA-N 1 0 423.891 3.596 20 10 HHCDRO CCOC(=O)c1c(NC(=O)CC[N@@H+]2C[C@@H](O)C[C@@H]2C)sc(C)c1-c1ccccc1 ZINC000761105532 1075429892 /nfs/dbraw/zinc/42/98/92/1075429892.db2.gz OEDGLFNAFHGREM-YOEHRIQHSA-N 1 0 416.543 3.684 20 10 HHCDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000761149240 1075535287 /nfs/dbraw/zinc/53/52/87/1075535287.db2.gz FIBVNINQGDJEOZ-DNVCBOLYSA-N 1 0 413.905 3.645 20 10 HHCDRO COc1cc(Cl)cc(C[NH+]2CCC(C(=O)NCc3ccc(C)cc3)CC2)c1O ZINC000761196014 1075583512 /nfs/dbraw/zinc/58/35/12/1075583512.db2.gz RWUBDMSJQCHSHX-UHFFFAOYSA-N 1 0 402.922 3.891 20 10 HHCDRO COc1cc(Cl)cc(C[N@H+](C)[C@H](CO)c2cccc(Br)c2)c1O ZINC000761206248 1075593585 /nfs/dbraw/zinc/59/35/85/1075593585.db2.gz UQJXDCLAUYJAEC-OAHLLOKOSA-N 1 0 400.700 3.982 20 10 HHCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)c1O ZINC000761214857 1075619680 /nfs/dbraw/zinc/61/96/80/1075619680.db2.gz FVOTWCWRYSQNAJ-ZDUSSCGKSA-N 1 0 419.827 3.894 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNc3ncnc4nc(SC)sc43)cc2F)CC1 ZINC000301184666 970793633 /nfs/dbraw/zinc/79/36/33/970793633.db2.gz JHSJZIGCUYQGOH-UHFFFAOYSA-N 1 0 418.567 3.701 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(C)(C)c3ccc(F)cc3)cc2F)CC1 ZINC000303283652 971597727 /nfs/dbraw/zinc/59/77/27/971597727.db2.gz JIKAMFZURMLFBY-UHFFFAOYSA-N 1 0 401.501 3.701 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCc3c[nH]c4ccccc34)cc2F)CC1 ZINC000303309195 971618508 /nfs/dbraw/zinc/61/85/08/971618508.db2.gz ONIJDRNJXCVCAQ-UHFFFAOYSA-N 1 0 408.521 3.698 20 10 HHCDRO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000303325389 971631314 /nfs/dbraw/zinc/63/13/14/971631314.db2.gz BPACFHUENJGBQT-UTKZUKDTSA-N 1 0 400.494 3.732 20 10 HHCDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)CC1 ZINC000303632717 971913028 /nfs/dbraw/zinc/91/30/28/971913028.db2.gz UGSBFHZMURIZCU-HXUWFJFHSA-N 1 0 410.606 3.973 20 10 HHCDRO CCc1ccccc1NC(=S)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000018946305 963340235 /nfs/dbraw/zinc/34/02/35/963340235.db2.gz PHKIBGIQXQSVGA-UHFFFAOYSA-N 1 0 412.603 3.756 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cc4ccccc4s3)CC2)cc1 ZINC000024088932 963938867 /nfs/dbraw/zinc/93/88/67/963938867.db2.gz OENXSPBRGNEOPJ-UHFFFAOYSA-N 1 0 409.555 3.852 20 10 HHCDRO COc1cccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)c1OC ZINC000048745146 964050333 /nfs/dbraw/zinc/05/03/33/964050333.db2.gz XJLXPEIIYZSTJK-UHFFFAOYSA-N 1 0 410.436 3.849 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CCc3cccc(Cl)c3)CC2)cc1 ZINC000041837040 966646539 /nfs/dbraw/zinc/64/65/39/966646539.db2.gz JSBGLGMDZIXIAW-UHFFFAOYSA-N 1 0 415.965 3.610 20 10 HHCDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000108810115 969421751 /nfs/dbraw/zinc/42/17/51/969421751.db2.gz AOTYZQWUZGQZEW-OFNKIYASSA-N 1 0 422.573 3.500 20 10 HHCDRO CCC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC)Cc1ccccc1O ZINC000110738513 969715950 /nfs/dbraw/zinc/71/59/50/969715950.db2.gz ATSICGCWUSUHQT-OAQYLSRUSA-N 1 0 412.530 3.985 20 10 HHCDRO Cc1cc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c(C)n1-c1cccc(Cl)c1 ZINC000195676286 969949519 /nfs/dbraw/zinc/94/95/19/969949519.db2.gz FTDWTGQAEANSIF-UHFFFAOYSA-N 1 0 414.981 3.601 20 10 HHCDRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000139985362 970057682 /nfs/dbraw/zinc/05/76/82/970057682.db2.gz AWOKFCSJIKQGBR-UHFFFAOYSA-N 1 0 412.484 3.894 20 10 HHCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)c1 ZINC000236850991 970180069 /nfs/dbraw/zinc/18/00/69/970180069.db2.gz FBXJUJOWTXWELN-MRXNPFEDSA-N 1 0 406.548 3.672 20 10 HHCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000237174279 970236078 /nfs/dbraw/zinc/23/60/78/970236078.db2.gz BONMCIDXZVQNTI-UHFFFAOYSA-N 1 0 406.530 3.913 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNCc3coc(-c4ccccc4)n3)CC2)cc1 ZINC000237275042 970253160 /nfs/dbraw/zinc/25/31/60/970253160.db2.gz XITHSKKVQHDYNR-UHFFFAOYSA-N 1 0 406.530 3.652 20 10 HHCDRO COc1cccc(C[NH2+][C@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)c1O ZINC000237421984 970282387 /nfs/dbraw/zinc/28/23/87/970282387.db2.gz JLFZESOFBHXRES-JOCHJYFZSA-N 1 0 411.523 3.992 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCC[C@H]2c2ccnn2C)C1 ZINC000410292943 973825794 /nfs/dbraw/zinc/82/57/94/973825794.db2.gz JDDBEJNWZWHCLX-DEOSSOPVSA-N 1 0 419.573 3.895 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)NCCCC[NH+]3C[C@@H](C)O[C@H](C)C3)ccc21 ZINC000434786820 980398129 /nfs/dbraw/zinc/39/81/29/980398129.db2.gz IMKUVCFMJVOFHC-QZTJIDSGSA-N 1 0 415.578 3.524 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc3oc(=O)[nH]c3c2)C1 ZINC000435547143 980934468 /nfs/dbraw/zinc/93/44/68/980934468.db2.gz BPKQAWOKDBNPJV-UHFFFAOYSA-N 1 0 404.470 3.893 20 10 HHCDRO CCc1noc(CC)c1CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435816966 981043700 /nfs/dbraw/zinc/04/37/00/981043700.db2.gz GCAYUSDEPBVKBG-UHFFFAOYSA-N 1 0 408.546 3.837 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000436042374 981175694 /nfs/dbraw/zinc/17/56/94/981175694.db2.gz XKYHFTFBECWNDD-IBGZPJMESA-N 1 0 410.606 3.597 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccccc2N(C)C)C1 ZINC000444138233 986327608 /nfs/dbraw/zinc/32/76/08/986327608.db2.gz GNNWIJOTZVUOMB-UHFFFAOYSA-N 1 0 404.558 3.790 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc3c(c2)CC(=O)N3)C1 ZINC000444260133 986457720 /nfs/dbraw/zinc/45/77/20/986457720.db2.gz PWSUQOYYFFBNKA-UHFFFAOYSA-N 1 0 402.498 3.541 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)CCc2ccccc2O)C1 ZINC000444363138 986541165 /nfs/dbraw/zinc/54/11/65/986541165.db2.gz HGLAODPORIXEAU-UHFFFAOYSA-N 1 0 405.542 3.815 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H](Cc3ccccc3)C[NH+](C)C)ccc21 ZINC000486986908 999027804 /nfs/dbraw/zinc/02/78/04/999027804.db2.gz UKCYDNNYZQVVEO-JOCHJYFZSA-N 1 0 407.558 3.807 20 10 HHCDRO COC(=O)Cc1cccc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)c1 ZINC000487141695 999079145 /nfs/dbraw/zinc/07/91/45/999079145.db2.gz ZIENODSDQYEWCF-UHFFFAOYSA-N 1 0 419.525 3.762 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)ccc21 ZINC000489970874 999870897 /nfs/dbraw/zinc/87/08/97/999870897.db2.gz IKCAATNDGWFWED-UHFFFAOYSA-N 1 0 409.534 3.620 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)NCC(C)(C)[NH+]3CCC(OC)CC3)ccc21 ZINC000521681923 1010546332 /nfs/dbraw/zinc/54/63/32/1010546332.db2.gz FKUFHZDMUNJRKI-UHFFFAOYSA-N 1 0 415.578 3.524 20 10 HHCDRO CCCCn1ncc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1CC ZINC000760454884 1072361195 /nfs/dbraw/zinc/36/11/95/1072361195.db2.gz MQJGQMWIKPVKRY-SFHVURJKSA-N 1 0 418.969 3.999 20 10 HHCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000761037782 1075232383 /nfs/dbraw/zinc/23/23/83/1075232383.db2.gz KDWIVVPWXQTBBO-UHFFFAOYSA-N 1 0 414.619 3.786 20 10 HHCDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000761152366 1075540084 /nfs/dbraw/zinc/54/00/84/1075540084.db2.gz ZACBLRXFQWXCDF-HUUCEWRRSA-N 1 0 407.942 3.566 20 10 HHCDRO COc1cc(N2CC[NH+](Cc3cc(Cl)cc(C)c3O)CC2)cc(OC)c1OC ZINC000761218518 1075639267 /nfs/dbraw/zinc/63/92/67/1075639267.db2.gz FWSBQTCLOQGQKV-UHFFFAOYSA-N 1 0 406.910 3.702 20 10 HHCDRO COc1cc(N2CC[NH+](Cc3c[nH]nc3-c3ccc(C)cc3)CC2)cc(OC)c1OC ZINC000761220199 1075651139 /nfs/dbraw/zinc/65/11/39/1075651139.db2.gz WECDMRKTEBKUQY-UHFFFAOYSA-N 1 0 422.529 3.733 20 10 HHCDRO COc1cccc(C(C)(C)C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC001127182390 1075709210 /nfs/dbraw/zinc/70/92/10/1075709210.db2.gz XRXFYKLHEKFHGZ-UHFFFAOYSA-N 1 0 421.585 3.821 20 10 HHCDRO O=[N+]([O-])c1ccc2c(c1NCc1ccc(N3CC[NH+](CC4CC4)CC3)cc1)CCN2 ZINC000302880226 971369290 /nfs/dbraw/zinc/36/92/90/971369290.db2.gz IEBHFAKGKMYUAC-UHFFFAOYSA-N 1 0 407.518 3.707 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](C)Oc3cccc(Cl)c3)cc2F)CC1 ZINC000303302269 971613025 /nfs/dbraw/zinc/61/30/25/971613025.db2.gz NAYXEPZMFKMHCG-MRXNPFEDSA-N 1 0 419.928 3.705 20 10 HHCDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN(C)Cc2ccccc2O)c1C#N ZINC000303349267 971649120 /nfs/dbraw/zinc/64/91/20/971649120.db2.gz GXHKUZSYZYWNLJ-UHFFFAOYSA-N 1 0 402.498 3.801 20 10 HHCDRO Cc1c(NC(=O)CC[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000303351919 971651571 /nfs/dbraw/zinc/65/15/71/971651571.db2.gz HKNJXNVPOAXWMR-GOSISDBHSA-N 1 0 413.474 3.619 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@H](C)c3cccc(C)c3C)CC2)cc1 ZINC000303738936 971993096 /nfs/dbraw/zinc/99/30/96/971993096.db2.gz XSOHQVYMEBPNNS-OAQYLSRUSA-N 1 0 424.589 3.885 20 10 HHCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000017317609 963184901 /nfs/dbraw/zinc/18/49/01/963184901.db2.gz XRUPJSDYYNEEIS-UHFFFAOYSA-N 1 0 415.603 3.997 20 10 HHCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)c(OC)c1 ZINC000048745148 964050456 /nfs/dbraw/zinc/05/04/56/964050456.db2.gz REXVFLUOCLLDHH-UHFFFAOYSA-N 1 0 410.436 3.849 20 10 HHCDRO S=C(NCc1ccc(N2CCCC2)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063148481 966762360 /nfs/dbraw/zinc/76/23/60/966762360.db2.gz DEKJUQYVFDQJCH-UHFFFAOYSA-N 1 0 408.615 3.916 20 10 HHCDRO CN(C(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)[C@@H]1CCCc2ccccc21 ZINC000096971105 969068573 /nfs/dbraw/zinc/06/85/73/969068573.db2.gz RVTNKPZVKHSVBK-JTHBVZDNSA-N 1 0 408.542 3.909 20 10 HHCDRO Cc1cc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000108610620 969399946 /nfs/dbraw/zinc/39/99/46/969399946.db2.gz CBQYFGYBQGGWNU-UHFFFAOYSA-N 1 0 415.965 3.932 20 10 HHCDRO CC[NH+](CC)CCN(CC(C)C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000110422537 969665945 /nfs/dbraw/zinc/66/59/45/969665945.db2.gz JYKDTUPRVBWCLQ-UHFFFAOYSA-N 1 0 404.599 3.673 20 10 HHCDRO Cc1cccc(C[NH2+]Cc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1C ZINC000139821299 970048258 /nfs/dbraw/zinc/04/82/58/970048258.db2.gz XJPJRUQFDZERDF-UHFFFAOYSA-N 1 0 405.521 3.849 20 10 HHCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1C ZINC000139821445 970048587 /nfs/dbraw/zinc/04/85/87/970048587.db2.gz MMNVIIQGXFZADV-UHFFFAOYSA-N 1 0 405.521 3.849 20 10 HHCDRO CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000236809985 970175777 /nfs/dbraw/zinc/17/57/77/970175777.db2.gz KYEHQLGDMGKBEJ-UHFFFAOYSA-N 1 0 400.494 3.907 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNCc3csc(C(C)(C)C)n3)CC2)cc1 ZINC000237273347 970252594 /nfs/dbraw/zinc/25/25/94/970252594.db2.gz JDDFRYKMTRKAFI-UHFFFAOYSA-N 1 0 402.608 3.751 20 10 HHCDRO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2ccccc2O)c2ccc(F)c(F)c2)c1 ZINC000237475290 970295149 /nfs/dbraw/zinc/29/51/49/970295149.db2.gz HFGODQOVGASQFA-NRFANRHFSA-N 1 0 403.450 3.953 20 10 HHCDRO Cc1cc(O)c(C[NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)cc1C ZINC000237860998 970383073 /nfs/dbraw/zinc/38/30/73/970383073.db2.gz SNSBHYABRXHDEQ-UHFFFAOYSA-N 1 0 408.589 3.577 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(-n3cccn3)nc2)C1 ZINC000435620078 980965219 /nfs/dbraw/zinc/96/52/19/980965219.db2.gz ZBIRBKOTJGEPHZ-UHFFFAOYSA-N 1 0 414.513 3.627 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc3c(c2)N(C)CCO3)C1 ZINC000435824787 981047006 /nfs/dbraw/zinc/04/70/06/981047006.db2.gz FJOBDUUBWQQEQD-UHFFFAOYSA-N 1 0 418.541 3.875 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)c2ccc3c(c2)OCO3)C1 ZINC000436050569 981179451 /nfs/dbraw/zinc/17/94/51/981179451.db2.gz LHVRNHSRICUBSU-UHFFFAOYSA-N 1 0 405.498 3.800 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC3(CCC3)[C@@H]2[C@H]2CCCO2)C1 ZINC000461306127 983004772 /nfs/dbraw/zinc/00/47/72/983004772.db2.gz PLMIOZKGTFGWQE-NOZRDPDXSA-N 1 0 421.585 3.968 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H](OCC3CC3)C2)C1 ZINC000444280747 986469816 /nfs/dbraw/zinc/46/98/16/986469816.db2.gz KIGOCMRRJOMDCA-FQEVSTJZSA-N 1 0 409.574 3.825 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCc3ccc(O)cc3C2)C1 ZINC000444340338 986518552 /nfs/dbraw/zinc/51/85/52/986518552.db2.gz LDVCKFBAMFZHAP-UHFFFAOYSA-N 1 0 403.526 3.698 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)ccc21 ZINC000484917566 997292634 /nfs/dbraw/zinc/29/26/34/997292634.db2.gz OUQQGXXNFOEUMW-JOCHJYFZSA-N 1 0 407.558 3.807 20 10 HHCDRO COc1cccc(OC)c1CN1CCC([N@H+](C)Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142520310 1072414223 /nfs/dbraw/zinc/41/42/23/1072414223.db2.gz FRTONCOYUGGIPB-UHFFFAOYSA-N 1 0 406.473 3.784 20 10 HHCDRO Cc1cc(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000760892037 1074553971 /nfs/dbraw/zinc/55/39/71/1074553971.db2.gz HYSUSFKVXQWUKB-UHFFFAOYSA-N 1 0 403.954 3.713 20 10 HHCDRO CC[NH+](CC)Cc1ccccc1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000760973211 1074756190 /nfs/dbraw/zinc/75/61/90/1074756190.db2.gz VSIFYTLYLCCPAO-UHFFFAOYSA-N 1 0 415.921 3.852 20 10 HHCDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000761149243 1075535213 /nfs/dbraw/zinc/53/52/13/1075535213.db2.gz FIBVNINQGDJEOZ-HNAYVOBHSA-N 1 0 413.905 3.645 20 10 HHCDRO COc1cc(OC)cc(N2CCC[N@H+](Cc3cc(Cl)cc(OC)c3O)CC2)c1 ZINC000761203195 1075594766 /nfs/dbraw/zinc/59/47/66/1075594766.db2.gz KUCOUQPVGSHDSO-UHFFFAOYSA-N 1 0 406.910 3.784 20 10 HHCDRO CCc1ccc(CNC(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)s1 ZINC000303253221 971582299 /nfs/dbraw/zinc/58/22/99/971582299.db2.gz BJYOONRMJDXVBH-UHFFFAOYSA-N 1 0 404.555 3.591 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCC(=O)c3ccc(C)s3)cc2F)CC1 ZINC000303313022 971622251 /nfs/dbraw/zinc/62/22/51/971622251.db2.gz PNTGTCCAMZTCSJ-UHFFFAOYSA-N 1 0 417.550 3.617 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)[C@H]3CCc4ccccc43)cc2F)CC1 ZINC000303338244 971640594 /nfs/dbraw/zinc/64/05/94/971640594.db2.gz VMQCCONWVDVWGF-QFIPXVFZSA-N 1 0 410.537 3.797 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3Cc3ccccc3)cc2F)CC1 ZINC000303339800 971641630 /nfs/dbraw/zinc/64/16/30/971641630.db2.gz VVIMFXJHYDWPBR-JOCHJYFZSA-N 1 0 424.564 3.884 20 10 HHCDRO Cc1c(NC(=O)CC[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000303351922 971651425 /nfs/dbraw/zinc/65/14/25/971651425.db2.gz HKNJXNVPOAXWMR-SFHVURJKSA-N 1 0 413.474 3.619 20 10 HHCDRO C[NH+](C)Cc1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000303900467 972437215 /nfs/dbraw/zinc/43/72/15/972437215.db2.gz QLYLGDBSCJTZFV-UHFFFAOYSA-N 1 0 421.463 3.534 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNC(=S)Nc3cc(C)cc(C)c3)CC2)cc1 ZINC000007027545 960984433 /nfs/dbraw/zinc/98/44/33/960984433.db2.gz MJMFAXFSIMRLPB-UHFFFAOYSA-N 1 0 412.603 3.811 20 10 HHCDRO COc1ccc(N2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC2)cc1 ZINC000007489679 961214808 /nfs/dbraw/zinc/21/48/08/961214808.db2.gz DYRSJTRABZFKKJ-UHFFFAOYSA-N 1 0 424.570 3.658 20 10 HHCDRO COc1ccc(N2CC[NH+](C[C@H](O)CO[C@H](C)c3ccc(Cl)cc3)CC2)cc1 ZINC000054771882 965638342 /nfs/dbraw/zinc/63/83/42/965638342.db2.gz DLMVIEZYDUVOBC-UTKZUKDTSA-N 1 0 404.938 3.609 20 10 HHCDRO CN(C)c1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1F ZINC000058474703 965746730 /nfs/dbraw/zinc/74/67/30/965746730.db2.gz QDDUACWPJWCPRT-UHFFFAOYSA-N 1 0 410.493 3.743 20 10 HHCDRO CC[N@H+](C)Cc1cccc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000061865273 966566721 /nfs/dbraw/zinc/56/67/21/966566721.db2.gz VQICVKMOMAEISI-UHFFFAOYSA-N 1 0 412.603 3.691 20 10 HHCDRO CC[N@H+](C)[C@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1ccccc1 ZINC000110740299 969716433 /nfs/dbraw/zinc/71/64/33/969716433.db2.gz CYYAQQMSFLDAGZ-IXFSTUDKSA-N 1 0 413.537 3.749 20 10 HHCDRO Cc1cc(=O)n2nc(C[N@H+](Cc3ccccc3O)[C@H](C)c3ccccc3)sc2n1 ZINC000216486339 970075672 /nfs/dbraw/zinc/07/56/72/970075672.db2.gz OZMMGXHYLLBDDY-MRXNPFEDSA-N 1 0 406.511 3.928 20 10 HHCDRO c1ccc(OCCOc2ccc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)cn2)cc1 ZINC000236738143 970166292 /nfs/dbraw/zinc/16/62/92/970166292.db2.gz APZBQVOEZYZSGC-UHFFFAOYSA-N 1 0 419.525 3.666 20 10 HHCDRO COc1cccc(C[NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1O ZINC000237383085 970275173 /nfs/dbraw/zinc/27/51/73/970275173.db2.gz WMDGODILRUZJAB-SFHVURJKSA-N 1 0 410.436 3.583 20 10 HHCDRO O=C(NCc1ccc(N2CCCC2)cc1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000150183142 970432723 /nfs/dbraw/zinc/43/27/23/970432723.db2.gz FRUOGXHJAJWRLT-UHFFFAOYSA-N 1 0 406.574 3.998 20 10 HHCDRO CN(C)S(=O)(=O)c1cccc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000247986835 970495488 /nfs/dbraw/zinc/49/54/88/970495488.db2.gz ZHVDQKBOADMVBU-UHFFFAOYSA-N 1 0 401.576 3.559 20 10 HHCDRO Oc1ccc(Br)cc1C[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390867058 972832296 /nfs/dbraw/zinc/83/22/96/972832296.db2.gz NQLHWFXEVCFEOB-IBGZPJMESA-N 1 0 405.336 3.535 20 10 HHCDRO COc1cccc(CCNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)c1 ZINC000435571889 980946179 /nfs/dbraw/zinc/94/61/79/980946179.db2.gz ZUSHETXPTVMFSM-UHFFFAOYSA-N 1 0 405.542 3.775 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000435635417 980969206 /nfs/dbraw/zinc/96/92/06/980969206.db2.gz HCQBNKHKWIKLFL-UHFFFAOYSA-N 1 0 405.498 3.818 20 10 HHCDRO COc1ccc(CCNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)cc1 ZINC000435645410 980973234 /nfs/dbraw/zinc/97/32/34/980973234.db2.gz MKLVRNRVIDPXDN-UHFFFAOYSA-N 1 0 405.542 3.775 20 10 HHCDRO COC(=O)c1cccc(CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)c1 ZINC000435817506 981043894 /nfs/dbraw/zinc/04/38/94/981043894.db2.gz LMOJGGZRGULNLJ-UHFFFAOYSA-N 1 0 419.525 3.511 20 10 HHCDRO CCn1nc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)cc1C1CC1 ZINC000435820353 981044971 /nfs/dbraw/zinc/04/49/71/981044971.db2.gz VPKMZYGPYCPLQR-UHFFFAOYSA-N 1 0 405.546 4.140 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C1 ZINC000435905922 981085850 /nfs/dbraw/zinc/08/58/50/981085850.db2.gz DAXTYQLNPGSODM-QTLGCAHFSA-N 1 0 421.585 3.872 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H](C)Oc3ncccc32)C1 ZINC000435912467 981089128 /nfs/dbraw/zinc/08/91/28/981089128.db2.gz XHOIEGVLCQUDNF-QGZVFWFLSA-N 1 0 404.514 3.617 20 10 HHCDRO CCOC(=O)c1nc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)oc1C ZINC000436008436 981150936 /nfs/dbraw/zinc/15/09/36/981150936.db2.gz UKHVBIWNVDMWMV-UHFFFAOYSA-N 1 0 424.501 3.520 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2COc3ccccc3C2)C1 ZINC000443942959 986151376 /nfs/dbraw/zinc/15/13/76/986151376.db2.gz YVEFAAOTOOAKBE-IBGZPJMESA-N 1 0 403.526 3.528 20 10 HHCDRO Cc1cccn2cc(CNC(=O)Cn3c4ccccc4c4c3CC[N@@H+](C(C)C)C4)nc12 ZINC000444175462 986352335 /nfs/dbraw/zinc/35/23/35/986352335.db2.gz KKYMLTKJGONIFY-UHFFFAOYSA-N 1 0 415.541 3.680 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@@H](c3ccco3)C2)C1 ZINC000444244365 986436683 /nfs/dbraw/zinc/43/66/83/986436683.db2.gz JQZNTDIAWQYZSM-HSZRJFAPSA-N 1 0 407.514 3.601 20 10 HHCDRO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)Cc2ccc(O)cc2)C1 ZINC000444340203 986518785 /nfs/dbraw/zinc/51/87/85/986518785.db2.gz QCXQWRIDJDIVRO-GOSISDBHSA-N 1 0 405.542 3.861 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3C[N@H+](C)C[C@@H]3c3ccccc3)ccc21 ZINC000497403434 1001341160 /nfs/dbraw/zinc/34/11/60/1001341160.db2.gz HDJIYAAXFGCXHY-DHIUTWEWSA-N 1 0 405.542 3.732 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2nc(C(F)(F)F)c[nH]2)C1 ZINC000506919250 1001593013 /nfs/dbraw/zinc/59/30/13/1001593013.db2.gz VWRWGDZQRJNAIY-UHFFFAOYSA-N 1 0 405.424 3.788 20 10 HHCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)cc1 ZINC000729678927 1071797923 /nfs/dbraw/zinc/79/79/23/1071797923.db2.gz MWQAUDPKABCEOU-UHFFFAOYSA-N 1 0 403.592 3.650 20 10 HHCDRO COc1ccc(N2CCOC[C@@]3(CCC[N@@H+]([C@H]4Cc5ccc(OC)cc5C4)C3)C2)cc1 ZINC001168269534 1071884647 /nfs/dbraw/zinc/88/46/47/1071884647.db2.gz VNRRRYSUNAGXIJ-JYFHCDHNSA-N 1 0 422.569 3.790 20 10 HHCDRO COc1ccc(N2CCOC[C@]3(CCC[N@@H+]([C@H]4Cc5ccc(OC)cc5C4)C3)C2)cc1 ZINC001168269535 1071885302 /nfs/dbraw/zinc/88/53/02/1071885302.db2.gz VNRRRYSUNAGXIJ-OZXSUGGESA-N 1 0 422.569 3.790 20 10 HHCDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142512604 1072408670 /nfs/dbraw/zinc/40/86/70/1072408670.db2.gz FTKJKUBVXMKUMI-LJQANCHMSA-N 1 0 417.500 3.569 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@@]3(CCCO3)[C@@H]2C2CC2)C1 ZINC000571083009 1072557228 /nfs/dbraw/zinc/55/72/28/1072557228.db2.gz ZHBHDKAPRNWIKA-DQEYMECFSA-N 1 0 407.558 3.578 20 10 HHCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)cc1 ZINC000761032552 1075210287 /nfs/dbraw/zinc/21/02/87/1075210287.db2.gz KCAGGVZRUIQZMZ-UHFFFAOYSA-N 1 0 408.590 3.725 20 10 HHCDRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000761201041 1075586729 /nfs/dbraw/zinc/58/67/29/1075586729.db2.gz CQLDPNBFQPQQLQ-LBPRGKRZSA-N 1 0 408.848 3.677 20 10 HHCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1O ZINC000761205616 1075595956 /nfs/dbraw/zinc/59/59/56/1075595956.db2.gz HEPKBULSCGOIDU-HNNXBMFYSA-N 1 0 414.811 3.968 20 10 HHCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)c1O ZINC000761214221 1075628191 /nfs/dbraw/zinc/62/81/91/1075628191.db2.gz AGGQYNQLHDDCJF-YJBOKZPZSA-N 1 0 413.276 3.908 20 10 HHCDRO COc1cc(Cl)cc(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC001127182017 1075698872 /nfs/dbraw/zinc/69/88/72/1075698872.db2.gz RNWADAVESUUTCV-UHFFFAOYSA-N 1 0 413.949 3.811 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNc3ccc(C(C)=O)cc3[N+](=O)[O-])cc2F)CC1 ZINC000301214548 970812929 /nfs/dbraw/zinc/81/29/29/970812929.db2.gz ZEHPZMQPOPFGKC-UHFFFAOYSA-N 1 0 400.454 3.691 20 10 HHCDRO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000302758227 971306023 /nfs/dbraw/zinc/30/60/23/971306023.db2.gz NGONXGMXUCMHPU-DEOSSOPVSA-N 1 0 423.557 3.580 20 10 HHCDRO CC[NH+]1CCN(CCCNC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 ZINC000302952531 971416073 /nfs/dbraw/zinc/41/60/73/971416073.db2.gz CGVNSBXPYOXNKE-UHFFFAOYSA-N 1 0 402.970 3.505 20 10 HHCDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000303034063 971469092 /nfs/dbraw/zinc/46/90/92/971469092.db2.gz UQMQZIYKDOQXMI-ICSRJNTNSA-N 1 0 403.567 3.593 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)Cc3ccc(C)s3)cc2F)CC1 ZINC000303341276 971642668 /nfs/dbraw/zinc/64/26/68/971642668.db2.gz WDDRLMCPHLVQSV-UHFFFAOYSA-N 1 0 404.555 3.679 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCn3ccc4ccccc43)cc2F)CC1 ZINC000303351095 971650767 /nfs/dbraw/zinc/65/07/67/971650767.db2.gz YIUJBMJQFBSGEL-UHFFFAOYSA-N 1 0 408.521 3.629 20 10 HHCDRO CCN1CC[NH+](CCCCNC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 ZINC000303586115 971878506 /nfs/dbraw/zinc/87/85/06/971878506.db2.gz SQBMWDHSIMWVOR-UHFFFAOYSA-N 1 0 416.997 3.895 20 10 HHCDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)[C@H](C)C1 ZINC000303726557 971979674 /nfs/dbraw/zinc/97/96/74/971979674.db2.gz SXJRNLCYEPRVRY-HOYKHHGWSA-N 1 0 422.573 3.833 20 10 HHCDRO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000011193276 962027347 /nfs/dbraw/zinc/02/73/47/962027347.db2.gz GIYDWBNRAXMVPP-MRXNPFEDSA-N 1 0 419.472 3.584 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000011853420 962201938 /nfs/dbraw/zinc/20/19/38/962201938.db2.gz VALNQOIIUSDGOG-UHFFFAOYSA-N 1 0 422.356 3.944 20 10 HHCDRO Cc1cccc(NC(=O)CN2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)c1C ZINC000020638565 963392218 /nfs/dbraw/zinc/39/22/18/963392218.db2.gz WNKDRPWOIMBAGJ-UHFFFAOYSA-N 1 0 403.526 3.919 20 10 HHCDRO CCc1ccc(CCC(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000024088856 963938961 /nfs/dbraw/zinc/93/89/61/963938961.db2.gz VNIUAIQEEATXGK-UHFFFAOYSA-N 1 0 409.574 3.519 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H](SC)[C@@H]([NH+]4CCCC4)C3)ccc21 ZINC000542769323 1013672681 /nfs/dbraw/zinc/67/26/81/1013672681.db2.gz RFHBXMMYBYGNGP-FCHUYYIVSA-N 1 0 415.603 3.556 20 10 HHCDRO COc1ccc(N2CCC[N@@H+]([C@H](C(=O)N3CCCCC3)c3ccccc3)CC2)cc1 ZINC000108092346 969357181 /nfs/dbraw/zinc/35/71/81/969357181.db2.gz PRNVGGMYKLSLPL-DEOSSOPVSA-N 1 0 407.558 3.961 20 10 HHCDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000108813541 969421664 /nfs/dbraw/zinc/42/16/64/969421664.db2.gz KNCVRNNDKXHYQA-ZVDOUQERSA-N 1 0 417.594 3.839 20 10 HHCDRO CCC[N@H+](CC(=O)N1c2ccccc2NC(=O)C12CCCC2)Cc1ccccc1O ZINC000110076907 969620148 /nfs/dbraw/zinc/62/01/48/969620148.db2.gz FJIINJNTXNYOQP-UHFFFAOYSA-N 1 0 407.514 3.902 20 10 HHCDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c(C)n1-c1ccccn1 ZINC000116072853 969870557 /nfs/dbraw/zinc/87/05/57/969870557.db2.gz FSIOEJOHMWPIDN-UHFFFAOYSA-N 1 0 412.484 3.971 20 10 HHCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3c[nH]nc3-c3ccc(F)cc3)CC2)cc1 ZINC000237273545 970252428 /nfs/dbraw/zinc/25/24/28/970252428.db2.gz JGATZBSQUZWPAZ-UHFFFAOYSA-N 1 0 423.536 3.526 20 10 HHCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000237917061 970393822 /nfs/dbraw/zinc/39/38/22/970393822.db2.gz AGCLKRWWYJPZHT-IBGZPJMESA-N 1 0 417.500 3.883 20 10 HHCDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390867079 972832248 /nfs/dbraw/zinc/83/22/48/972832248.db2.gz NQLHWFXEVCFEOB-LJQANCHMSA-N 1 0 405.336 3.535 20 10 HHCDRO CCOc1ncccc1CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435621099 980965015 /nfs/dbraw/zinc/96/50/15/980965015.db2.gz IUJPCZXIQLVJHJ-UHFFFAOYSA-N 1 0 406.530 3.518 20 10 HHCDRO COc1ccc(CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)cc1F ZINC000435635697 980969160 /nfs/dbraw/zinc/96/91/60/980969160.db2.gz KOPZVKZDTUPLJF-UHFFFAOYSA-N 1 0 409.505 3.872 20 10 HHCDRO COc1ccccc1CCNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435661142 980977651 /nfs/dbraw/zinc/97/76/51/980977651.db2.gz BVGYJGUFPXYHOW-UHFFFAOYSA-N 1 0 405.542 3.775 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2nc3c(s2)COCC3)C1 ZINC000435735417 981009261 /nfs/dbraw/zinc/00/92/61/981009261.db2.gz MRHDXNMBDWVXMS-UHFFFAOYSA-N 1 0 410.543 3.576 20 10 HHCDRO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435803957 981038099 /nfs/dbraw/zinc/03/80/99/981038099.db2.gz LYBWZDKPFWGRSF-QGZVFWFLSA-N 1 0 421.589 3.506 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCc3c2cccc3O)C1 ZINC000444263837 986461099 /nfs/dbraw/zinc/46/10/99/986461099.db2.gz OFLPQGCPSVQGBS-OAQYLSRUSA-N 1 0 403.526 3.917 20 10 HHCDRO COc1cnccc1[C@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000444281387 986469733 /nfs/dbraw/zinc/46/97/33/986469733.db2.gz LZGPFACEEAUZIF-KRWDZBQOSA-N 1 0 406.530 3.689 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H]2C2CCOCC2)C1 ZINC000444347249 986530174 /nfs/dbraw/zinc/53/01/74/986530174.db2.gz XFHNFYPVJFXYBG-QFIPXVFZSA-N 1 0 409.574 3.825 20 10 HHCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000472222624 993252226 /nfs/dbraw/zinc/25/22/26/993252226.db2.gz RCCNMCSJGYKOSD-QZTJIDSGSA-N 1 0 412.578 3.518 20 10 HHCDRO O=C(Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C2=S=CC=C2)o1 ZINC000544009140 1009610094 /nfs/dbraw/zinc/61/00/94/1009610094.db2.gz GOZZKXFDDBIQFW-GOSISDBHSA-N 1 0 418.522 3.801 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@@]3(CCCO3)[C@H]2C2CC2)C1 ZINC000571083012 1072557371 /nfs/dbraw/zinc/55/73/71/1072557371.db2.gz ZHBHDKAPRNWIKA-RPBOFIJWSA-N 1 0 407.558 3.578 20 10 HHCDRO CCc1ccc([C@@H](CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)[NH+](C)C)cc1 ZINC000760948361 1074705903 /nfs/dbraw/zinc/70/59/03/1074705903.db2.gz HJXJLMIUXZGCNJ-LJQANCHMSA-N 1 0 415.921 3.675 20 10 HHCDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000761050951 1075275736 /nfs/dbraw/zinc/27/57/36/1075275736.db2.gz LTVMIPXEZQGCLY-HZPDHXFCSA-N 1 0 407.942 3.568 20 10 HHCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)c1O ZINC000761208339 1075604144 /nfs/dbraw/zinc/60/41/44/1075604144.db2.gz ZAMFZCPMQMLCFA-GOSISDBHSA-N 1 0 411.329 3.871 20 10 HHCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)c1O ZINC000761214211 1075628193 /nfs/dbraw/zinc/62/81/93/1075628193.db2.gz AGGQYNQLHDDCJF-CRAIPNDOSA-N 1 0 413.276 3.908 20 10 HHCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1scnc1C(F)(F)F ZINC001127181356 1075675974 /nfs/dbraw/zinc/67/59/74/1075675974.db2.gz HBPCNCDJROZCTO-UHFFFAOYSA-N 1 0 424.492 3.624 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCc3ccccc3Cl)cc2F)CC1 ZINC000303310044 971619228 /nfs/dbraw/zinc/61/92/28/971619228.db2.gz OUGJVZXXZGVQPB-UHFFFAOYSA-N 1 0 404.917 3.620 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CSc3ccc(C)cc3)cc2F)CC1 ZINC000303317999 971625786 /nfs/dbraw/zinc/62/57/86/971625786.db2.gz QPBMSMGZNZEBPQ-UHFFFAOYSA-N 1 0 401.551 3.685 20 10 HHCDRO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000303325390 971631357 /nfs/dbraw/zinc/63/13/57/971631357.db2.gz BPACFHUENJGBQT-UWJYYQICSA-N 1 0 400.494 3.732 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CSc3ccccc3C)cc2F)CC1 ZINC000303357611 971656103 /nfs/dbraw/zinc/65/61/03/971656103.db2.gz ZUQCAMTVCMXRDB-UHFFFAOYSA-N 1 0 401.551 3.685 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cc(Cl)ccc3Cl)CC2)cc1 ZINC000011853419 962202602 /nfs/dbraw/zinc/20/26/02/962202602.db2.gz GPHGJDYBNAHIGA-UHFFFAOYSA-N 1 0 422.356 3.944 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNC(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000018176749 963284225 /nfs/dbraw/zinc/28/42/25/963284225.db2.gz CYXBXYNUTDCWLC-UHFFFAOYSA-N 1 0 402.926 3.682 20 10 HHCDRO COc1ccc(OC)c(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000048745147 964049697 /nfs/dbraw/zinc/04/96/97/964049697.db2.gz ISXGBUVZECZVDX-UHFFFAOYSA-N 1 0 410.436 3.849 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cc4c(cc(C)cc4C)[nH]3)CC2)cc1 ZINC000028623545 965140336 /nfs/dbraw/zinc/14/03/36/965140336.db2.gz JLNLFCBMNJAXJE-UHFFFAOYSA-N 1 0 420.557 3.735 20 10 HHCDRO CCS(=O)(=O)c1ccc(N2CCC([NH2+]Cc3ccc(OC)c(C)c3)CC2)cc1 ZINC000063918343 966997639 /nfs/dbraw/zinc/99/76/39/966997639.db2.gz VRBIKOZKDNEVOH-UHFFFAOYSA-N 1 0 402.560 3.556 20 10 HHCDRO CCc1cc2c(C[NH2+][C@@H](C)c3ccc(N4CCOCC4)cc3)cc(=O)oc2cc1O ZINC000065278414 967425586 /nfs/dbraw/zinc/42/55/86/967425586.db2.gz UBAYMMPYVPYEHR-INIZCTEOSA-N 1 0 408.498 3.748 20 10 HHCDRO COc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000097494616 969147523 /nfs/dbraw/zinc/14/75/23/969147523.db2.gz XEYQWCMPSIRDIQ-VEDPWSRISA-N 1 0 411.590 3.681 20 10 HHCDRO Cc1cc(C(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)c(C)n1-c1ccccn1 ZINC000109810704 969570090 /nfs/dbraw/zinc/57/00/90/969570090.db2.gz XADNARMRTWKOJD-UHFFFAOYSA-N 1 0 417.557 3.663 20 10 HHCDRO Cc1cc(C(=O)NCC2CC[NH+](C)CC2)c(C)n1-c1ccc(Br)cc1 ZINC000116514763 969901441 /nfs/dbraw/zinc/90/14/41/969901441.db2.gz ASYDOIQOFVEIOX-UHFFFAOYSA-N 1 0 404.352 3.928 20 10 HHCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1F ZINC000236932290 970191226 /nfs/dbraw/zinc/19/12/26/970191226.db2.gz IRDDSIDVWDTVRP-INIZCTEOSA-N 1 0 407.555 3.773 20 10 HHCDRO COCCOc1cccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000237242053 970247706 /nfs/dbraw/zinc/24/77/06/970247706.db2.gz BNQAKWREGAGWRH-UHFFFAOYSA-N 1 0 424.463 3.857 20 10 HHCDRO COc1ccc(OCc2ccccn2)c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000237295308 970257444 /nfs/dbraw/zinc/25/74/44/970257444.db2.gz KDGXPWUJIGHFML-UHFFFAOYSA-N 1 0 419.525 3.796 20 10 HHCDRO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000237393594 970276617 /nfs/dbraw/zinc/27/66/17/970276617.db2.gz BTKZZFNHLVOMDE-FQEVSTJZSA-N 1 0 422.573 3.630 20 10 HHCDRO Cn1cc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(-c2ccncc2)n1 ZINC000237785536 970367297 /nfs/dbraw/zinc/36/72/97/970367297.db2.gz CHKXSTNSMNDLDK-GOSISDBHSA-N 1 0 413.472 3.842 20 10 HHCDRO CN(C)c1ccc(CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000148964018 970376402 /nfs/dbraw/zinc/37/64/02/970376402.db2.gz DCLMUMCJTCCHNG-QGZVFWFLSA-N 1 0 404.555 3.665 20 10 HHCDRO O=C(CCC[NH2+]Cc1ccc(N2CCCCC2)cc1)N1CCN(c2ccccc2)CC1 ZINC000237995153 970414221 /nfs/dbraw/zinc/41/42/21/970414221.db2.gz WTPCDHPEKBIPGH-UHFFFAOYSA-N 1 0 420.601 3.896 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCc3ccc(SC)cc3)cc2F)CC1 ZINC000261473660 970708179 /nfs/dbraw/zinc/70/81/79/970708179.db2.gz WFHPQFHUAJJULR-UHFFFAOYSA-N 1 0 416.566 3.689 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)C1 ZINC000435823884 981046423 /nfs/dbraw/zinc/04/64/23/981046423.db2.gz BJGSIFDJOZBESN-QPPBQGQZSA-N 1 0 419.573 3.904 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC(OCC3CC3)CC2)C1 ZINC000435829092 981049613 /nfs/dbraw/zinc/04/96/13/981049613.db2.gz WJCSASXVWRZXHO-UHFFFAOYSA-N 1 0 409.574 3.825 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@H](C)Oc3ncccc32)C1 ZINC000435912466 981089259 /nfs/dbraw/zinc/08/92/59/981089259.db2.gz XHOIEGVLCQUDNF-KRWDZBQOSA-N 1 0 404.514 3.617 20 10 HHCDRO CSc1nsc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)n1 ZINC000444697022 986872309 /nfs/dbraw/zinc/87/23/09/986872309.db2.gz PNSOOWIJVVMOBQ-UHFFFAOYSA-N 1 0 401.561 3.620 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(-c3c[nH]nn3)c2)C1 ZINC000445156832 987246315 /nfs/dbraw/zinc/24/63/15/987246315.db2.gz HESONQVBDJMNSL-UHFFFAOYSA-N 1 0 414.513 3.832 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc(OCC[NH+](C)C)cc3)ccc21 ZINC000486469937 998783781 /nfs/dbraw/zinc/78/37/81/998783781.db2.gz CANLEPQVYIRPSP-UHFFFAOYSA-N 1 0 423.557 3.775 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3C[N@H+](C)C[C@H]3c3ccccc3)ccc21 ZINC000497403439 1001341091 /nfs/dbraw/zinc/34/10/91/1001341091.db2.gz HDJIYAAXFGCXHY-XZOQPEGZSA-N 1 0 405.542 3.732 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)ccc21 ZINC000540100513 1008287882 /nfs/dbraw/zinc/28/78/82/1008287882.db2.gz KRBHOUJRPNYOIQ-UHFFFAOYSA-N 1 0 420.557 3.946 20 10 HHCDRO CCOc1ccc(NC(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)cc1F ZINC000730135357 1072578929 /nfs/dbraw/zinc/57/89/29/1072578929.db2.gz WEBFSHUYBNUHQI-UHFFFAOYSA-N 1 0 418.488 3.827 20 10 HHCDRO Cc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C)n1-c1ccccn1 ZINC000760564382 1072594155 /nfs/dbraw/zinc/59/41/55/1072594155.db2.gz ZQZZHPGZXJRYCI-JOCHJYFZSA-N 1 0 418.541 3.510 20 10 HHCDRO CN(Cc1cc2ccccc2nc1N1CCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000761219768 1075642021 /nfs/dbraw/zinc/64/20/21/1075642021.db2.gz CFCRLHSMJKUVRE-UHFFFAOYSA-N 1 0 420.557 3.648 20 10 HHCDRO CCc1ccc([C@@H](CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)[NH+](C)C)cc1 ZINC000302905022 971383738 /nfs/dbraw/zinc/38/37/38/971383738.db2.gz YRVFRLIDPPRQGC-XMMPIXPASA-N 1 0 424.589 3.530 20 10 HHCDRO CC[NH+](CC)[C@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1 ZINC000303162517 971535783 /nfs/dbraw/zinc/53/57/83/971535783.db2.gz AAXFLAOYWQUZAA-DEOSSOPVSA-N 1 0 409.574 3.595 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCC(=O)c3ccc(C)cc3)cc2F)CC1 ZINC000303281421 971596443 /nfs/dbraw/zinc/59/64/43/971596443.db2.gz ISPPRNNQLTTWIY-UHFFFAOYSA-N 1 0 411.521 3.555 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)[C@@H]3CCc4ccccc4C3)cc2F)CC1 ZINC000303584265 971876228 /nfs/dbraw/zinc/87/62/28/971876228.db2.gz PYVVZMPGCKRBDG-JOCHJYFZSA-N 1 0 424.564 3.667 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNC(=S)Nc3ccc(C)c(C)c3)CC2)cc1 ZINC000007027501 960982857 /nfs/dbraw/zinc/98/28/57/960982857.db2.gz IYBVLXJBYMQBHF-UHFFFAOYSA-N 1 0 412.603 3.811 20 10 HHCDRO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000011193275 962027132 /nfs/dbraw/zinc/02/71/32/962027132.db2.gz GIYDWBNRAXMVPP-INIZCTEOSA-N 1 0 419.472 3.584 20 10 HHCDRO CCC[N@H+](Cc1c(O)ccc2cc(Br)ccc21)[C@H]1CCS(=O)(=O)C1 ZINC000014264454 962455302 /nfs/dbraw/zinc/45/53/02/962455302.db2.gz AQRABDYXTNHJRS-HNNXBMFYSA-N 1 0 412.349 3.707 20 10 HHCDRO COc1ccc(N2CCC[N@H+](CC(=O)N(C)[C@@H](C)c3ccc(F)c(F)c3)CC2)cc1 ZINC000097494672 969147563 /nfs/dbraw/zinc/14/75/63/969147563.db2.gz FFXGUFLOARKOOU-KRWDZBQOSA-N 1 0 417.500 3.705 20 10 HHCDRO COc1ccc(N2CCC(NC(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)CC2)cc1 ZINC000110425080 969666901 /nfs/dbraw/zinc/66/69/01/969666901.db2.gz FWBXTHSKAYLHHL-XMMPIXPASA-N 1 0 422.573 3.800 20 10 HHCDRO COc1ccc(N2CCC(NC(=O)NCCCC[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000110464723 969672812 /nfs/dbraw/zinc/67/28/12/969672812.db2.gz YMMHJLXRLAMHIE-BGYRXZFFSA-N 1 0 416.610 3.721 20 10 HHCDRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000236729496 970164237 /nfs/dbraw/zinc/16/42/37/970164237.db2.gz LWLPNJYZCYGCNE-UHFFFAOYSA-N 1 0 415.603 3.795 20 10 HHCDRO CN(C)c1ccc(C[NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1 ZINC000237124625 970227096 /nfs/dbraw/zinc/22/70/96/970227096.db2.gz FXMSNYOBUYLWQA-OAQYLSRUSA-N 1 0 407.480 3.935 20 10 HHCDRO COC(=O)COc1c(C)cc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)cc1C ZINC000237181441 970236593 /nfs/dbraw/zinc/23/65/93/970236593.db2.gz WDQOBWNZDRXNMM-UHFFFAOYSA-N 1 0 412.530 3.622 20 10 HHCDRO COc1ccc([C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)N2CCCCC2)cc1 ZINC000237355989 970269061 /nfs/dbraw/zinc/26/90/61/970269061.db2.gz JCRFAHURMNCZND-VWLOTQADSA-N 1 0 409.574 3.849 20 10 HHCDRO COc1cc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c([N+](=O)[O-])cc1O ZINC000237364904 970270433 /nfs/dbraw/zinc/27/04/33/970270433.db2.gz AYJYZFSMNONIHC-CQSZACIVSA-N 1 0 423.416 3.669 20 10 HHCDRO COc1cccc(C[NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1O ZINC000237377889 970273394 /nfs/dbraw/zinc/27/33/94/970273394.db2.gz WMDGODILRUZJAB-GOSISDBHSA-N 1 0 410.436 3.583 20 10 HHCDRO Cc1ccc(O)c(C[NH2+]Cc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)c1 ZINC000237940902 970400826 /nfs/dbraw/zinc/40/08/26/970400826.db2.gz ALTCESPELLHBRX-UHFFFAOYSA-N 1 0 406.505 3.851 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCCC23CCOCC3)C1 ZINC000409808931 973282538 /nfs/dbraw/zinc/28/25/38/973282538.db2.gz VODUPDRZNMBSMJ-HSZRJFAPSA-N 1 0 409.574 3.873 20 10 HHCDRO Cc1noc([C@@H]2CCCN(C(=O)Cn3c4ccccc4c4c3CC[N@@H+](C(C)C)C4)C2)n1 ZINC000435492093 980901180 /nfs/dbraw/zinc/90/11/80/980901180.db2.gz DATUILFOAXEZPZ-GOSISDBHSA-N 1 0 421.545 3.505 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc3c2OCCO3)C1 ZINC000435543584 980932246 /nfs/dbraw/zinc/93/22/46/980932246.db2.gz LWQXXLGWKQHUAF-UHFFFAOYSA-N 1 0 405.498 3.818 20 10 HHCDRO CC(C)c1nnc(CNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)s1 ZINC000435814081 981042144 /nfs/dbraw/zinc/04/21/44/981042144.db2.gz PTEULHHIUFMOKP-UHFFFAOYSA-N 1 0 411.575 3.699 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@]2(C)CCO[C@@H]2C2CC2)C1 ZINC000436004156 981147177 /nfs/dbraw/zinc/14/71/77/981147177.db2.gz JJLWAHXWNGNLMC-RPBOFIJWSA-N 1 0 409.574 3.729 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cnn(C)c2C(F)(F)F)C1 ZINC000436006940 981149443 /nfs/dbraw/zinc/14/94/43/981149443.db2.gz OOXPRDQAOZWTPG-UHFFFAOYSA-N 1 0 419.451 3.799 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(NC(N)=O)cc2)C1 ZINC000443916376 986117627 /nfs/dbraw/zinc/11/76/27/986117627.db2.gz YPAYLOGFZOZKQZ-UHFFFAOYSA-N 1 0 405.502 3.537 20 10 HHCDRO Cc1cccc2nc(CNC(=O)Cn3c4ccccc4c4c3CC[N@@H+](C(C)C)C4)cn21 ZINC000444248379 986442306 /nfs/dbraw/zinc/44/23/06/986442306.db2.gz RNVAPHXGNMNEOC-UHFFFAOYSA-N 1 0 415.541 3.680 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)Nc3cccc(C[N@@H+]4CC[C@@H](O)C4)c3)ccc21 ZINC000552518175 1012535895 /nfs/dbraw/zinc/53/58/95/1012535895.db2.gz VWOOTTLSJQZPMS-JOCHJYFZSA-N 1 0 421.541 3.723 20 10 HHCDRO COc1ccc(N2CCOC[C@@]3(CCC[N@@H+]([C@@H]4Cc5ccc(OC)cc5C4)C3)C2)cc1 ZINC001168269537 1071885324 /nfs/dbraw/zinc/88/53/24/1071885324.db2.gz VNRRRYSUNAGXIJ-ZEQKJWHPSA-N 1 0 422.569 3.790 20 10 HHCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3cnc(C4CCC4)s3)CC2)cc1 ZINC000760656304 1072528638 /nfs/dbraw/zinc/52/86/38/1072528638.db2.gz LXJGNJWAWILLLG-UHFFFAOYSA-N 1 0 400.592 3.721 20 10 HHCDRO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000760950965 1074707470 /nfs/dbraw/zinc/70/74/70/1074707470.db2.gz NSQYHVWEMUWJRL-UHFFFAOYSA-N 1 0 413.905 3.606 20 10 HHCDRO COC(=O)CC1([NH2+]CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCOCC1 ZINC000761189685 1075578539 /nfs/dbraw/zinc/57/85/39/1075578539.db2.gz XBHSFSOYSKTERJ-UHFFFAOYSA-N 1 0 410.474 3.742 20 10 HHCDRO COc1cc(Br)c(CN(C)c2ccc(OCC[NH+](C)C)cc2)cc1O ZINC000761221499 1075651458 /nfs/dbraw/zinc/65/14/58/1075651458.db2.gz OSQHGQZXIKMDJM-UHFFFAOYSA-N 1 0 409.324 3.740 20 10 HHCDRO Cc1ccc(CN(C(=O)C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)C2CC2)cc1 ZINC000303450308 971748766 /nfs/dbraw/zinc/74/87/66/971748766.db2.gz IFOZVNWXVALLRP-HSZRJFAPSA-N 1 0 408.542 3.873 20 10 HHCDRO Cc1ccc(C[N@@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C(C)C)s1 ZINC000065162371 967397328 /nfs/dbraw/zinc/39/73/28/967397328.db2.gz HWUCWAFEIQHHOU-UHFFFAOYSA-N 1 0 419.566 3.559 20 10 HHCDRO O=C(C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)N1CCC(Cc2ccccc2)CC1 ZINC000096970961 969068447 /nfs/dbraw/zinc/06/84/47/969068447.db2.gz HWIPRXRMSFLDAI-DEOSSOPVSA-N 1 0 422.569 3.855 20 10 HHCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](Cc2ccccc2)CC2CCOCC2)cc1 ZINC000097570277 969163645 /nfs/dbraw/zinc/16/36/45/969163645.db2.gz IOSOFIXRKQMKLQ-UHFFFAOYSA-N 1 0 409.574 3.640 20 10 HHCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000109899379 969590287 /nfs/dbraw/zinc/59/02/87/969590287.db2.gz NMMHBTULLFYNAI-UHFFFAOYSA-N 1 0 408.590 3.945 20 10 HHCDRO CCC[N@H+](CC(=O)Nc1ccccc1I)Cc1ccccc1O ZINC000110082499 969621015 /nfs/dbraw/zinc/62/10/15/969621015.db2.gz KSDPBCFKIKLMPS-UHFFFAOYSA-N 1 0 424.282 3.848 20 10 HHCDRO Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+](Cc2ccccc2O)C2CCCC2)c(C)c1 ZINC000112601647 969817900 /nfs/dbraw/zinc/81/79/00/969817900.db2.gz KSGLIYDYVUQDBL-UHFFFAOYSA-N 1 0 423.557 3.817 20 10 HHCDRO CN(C)c1ccc(CNC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000116548122 969903503 /nfs/dbraw/zinc/90/35/03/969903503.db2.gz GVGAGVSOBWQDJF-NRFANRHFSA-N 1 0 423.454 3.963 20 10 HHCDRO C[C@@H](c1ccccc1)[N@H+](CC(=O)NC(=O)NCc1ccco1)Cc1ccccc1O ZINC000216482739 970075335 /nfs/dbraw/zinc/07/53/35/970075335.db2.gz BJOPWLAHEBKVGL-KRWDZBQOSA-N 1 0 407.470 3.574 20 10 HHCDRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000236721481 970163394 /nfs/dbraw/zinc/16/33/94/970163394.db2.gz WZEFKMREYWYHJZ-UHFFFAOYSA-N 1 0 415.603 3.795 20 10 HHCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3ccc(SC)c(OC)c3)CC2)cc1 ZINC000237272431 970252490 /nfs/dbraw/zinc/25/24/90/970252490.db2.gz LJEWQUJCMGVNAI-UHFFFAOYSA-N 1 0 415.603 3.728 20 10 HHCDRO COc1ccc([C@H]([NH2+]Cc2cc(C)ccc2O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237357182 970269680 /nfs/dbraw/zinc/26/96/80/970269680.db2.gz WQMVBEPDVPMPNQ-QHCPKHFHSA-N 1 0 411.523 3.992 20 10 HHCDRO COc1cc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc2c1OCCO2 ZINC000237427680 970283958 /nfs/dbraw/zinc/28/39/58/970283958.db2.gz OZIYHJSHZVWRNG-INIZCTEOSA-N 1 0 420.456 3.826 20 10 HHCDRO Cc1nn(-c2ccccc2)cc1CCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000237896915 970390688 /nfs/dbraw/zinc/39/06/88/970390688.db2.gz VELFUYRTWXYGBH-UHFFFAOYSA-N 1 0 408.521 3.879 20 10 HHCDRO COc1ccc(N2CCC[N@H+](C[C@H](O)CO[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000250590549 970536650 /nfs/dbraw/zinc/53/66/50/970536650.db2.gz WZQRWECBTLQWEA-DHLKQENFSA-N 1 0 410.558 3.662 20 10 HHCDRO Cc1nc(C2(NC(=O)Cn3c4ccccc4c4c3CC[N@@H+](C(C)C)C4)CCCC2)no1 ZINC000435567535 980944765 /nfs/dbraw/zinc/94/47/65/980944765.db2.gz QLVZUSZMYICKBB-UHFFFAOYSA-N 1 0 421.545 3.685 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCSc3ccncc32)C1 ZINC000435812024 981040902 /nfs/dbraw/zinc/04/09/02/981040902.db2.gz VOADKTIKQRFJRA-UHFFFAOYSA-N 1 0 406.555 3.942 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000435813235 981041916 /nfs/dbraw/zinc/04/19/16/981041916.db2.gz FPPZVEPHYUVJEL-MRXNPFEDSA-N 1 0 423.561 3.966 20 10 HHCDRO CC(C)c1noc(CCCNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)n1 ZINC000444130888 986323680 /nfs/dbraw/zinc/32/36/80/986323680.db2.gz RHMFXQDESVJVHR-UHFFFAOYSA-N 1 0 423.561 3.663 20 10 HHCDRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000541066209 1011705292 /nfs/dbraw/zinc/70/52/92/1011705292.db2.gz BKXIPTGMKMNQBW-UHFFFAOYSA-N 1 0 412.534 3.904 20 10 HHCDRO COC(=O)c1cn([C@H]2CC[N@H+](Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3O)C2)nn1 ZINC000760543074 1072566698 /nfs/dbraw/zinc/56/66/98/1072566698.db2.gz XFYMZGPPNTWCQR-KRWDZBQOSA-N 1 0 414.550 3.812 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCC[C@@H]2c2cc[nH]n2)C1 ZINC000571308498 1072600463 /nfs/dbraw/zinc/60/04/63/1072600463.db2.gz KPNITBUVLGJKTM-HSZRJFAPSA-N 1 0 405.546 3.885 20 10 HHCDRO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000760580651 1072712876 /nfs/dbraw/zinc/71/28/76/1072712876.db2.gz SCLXNDXRLYOAAE-VQIMIIECSA-N 1 0 423.891 3.596 20 10 HHCDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000761152364 1075540060 /nfs/dbraw/zinc/54/00/60/1075540060.db2.gz ZACBLRXFQWXCDF-GASCZTMLSA-N 1 0 407.942 3.566 20 10 HHCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1O ZINC000761198015 1075579906 /nfs/dbraw/zinc/57/99/06/1075579906.db2.gz MZNRWZIYBAEBRC-GASCZTMLSA-N 1 0 418.921 3.593 20 10 HHCDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)CC1 ZINC000302999356 971445504 /nfs/dbraw/zinc/44/55/04/971445504.db2.gz ZAULRDDENUFCJN-FQEVSTJZSA-N 1 0 410.606 3.973 20 10 HHCDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)CC1 ZINC000302999359 971445830 /nfs/dbraw/zinc/44/58/30/971445830.db2.gz ZAULRDDENUFCJN-HXUWFJFHSA-N 1 0 410.606 3.973 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC3(c4ccccc4)CCC3)cc2F)CC1 ZINC000303273708 971591859 /nfs/dbraw/zinc/59/18/59/971591859.db2.gz GUTWHYLCGPCFMH-UHFFFAOYSA-N 1 0 410.537 3.846 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCOc3cc(C)ccc3C)cc2F)CC1 ZINC000303291132 971603986 /nfs/dbraw/zinc/60/39/86/971603986.db2.gz KYWOOLPYQCAEEL-UHFFFAOYSA-N 1 0 413.537 3.670 20 10 HHCDRO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000303325388 971631597 /nfs/dbraw/zinc/63/15/97/971631597.db2.gz BPACFHUENJGBQT-LAUBAEHRSA-N 1 0 400.494 3.732 20 10 HHCDRO Cn1cc(C[NH2+]Cc2ccc3c(c2)CCCN3C)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000058477103 965747694 /nfs/dbraw/zinc/74/76/94/965747694.db2.gz MSCNVSZVHGHDBQ-UHFFFAOYSA-N 1 0 418.541 3.921 20 10 HHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C2CCN(S(=O)(=O)CC)CC2)cc1 ZINC000030667986 965760908 /nfs/dbraw/zinc/76/09/08/965760908.db2.gz UNLCUMPQCFFNGY-UHFFFAOYSA-N 1 0 415.603 3.617 20 10 HHCDRO Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000111110509 969779180 /nfs/dbraw/zinc/77/91/80/969779180.db2.gz IDYQEMAQFHKOJL-UHFFFAOYSA-N 1 0 417.553 3.981 20 10 HHCDRO C[C@H](NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000139989357 970057430 /nfs/dbraw/zinc/05/74/30/970057430.db2.gz ZXNPQQBRUUALQU-PMACEKPBSA-N 1 0 402.583 3.538 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cnc(-c4ccco4)s3)cc2F)CC1 ZINC000216968116 970082409 /nfs/dbraw/zinc/08/24/09/970082409.db2.gz SACOEPSYCGGSOO-UHFFFAOYSA-N 1 0 414.506 3.614 20 10 HHCDRO CCOc1cccc(C[NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1O ZINC000236904397 970188243 /nfs/dbraw/zinc/18/82/43/970188243.db2.gz BVXHRVIDGVRADB-IBGZPJMESA-N 1 0 424.463 3.973 20 10 HHCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000236966945 970195969 /nfs/dbraw/zinc/19/59/69/970195969.db2.gz WFFMRSDNJRYDAW-UHFFFAOYSA-N 1 0 401.576 3.607 20 10 HHCDRO CN(C)C(=O)CN1CCC([NH2+]Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1 ZINC000237152957 970232535 /nfs/dbraw/zinc/23/25/35/970232535.db2.gz SYQZDGQUEXVUER-UHFFFAOYSA-N 1 0 403.611 3.629 20 10 HHCDRO Fc1cc(C[NH2+]CCCc2nc(-c3ccncc3)cs2)ccc1N1CCOCC1 ZINC000237846844 970379621 /nfs/dbraw/zinc/37/96/21/970379621.db2.gz LSXVIZRUPJHABC-UHFFFAOYSA-N 1 0 412.534 3.903 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(N(C)C(N)=O)c2)C1 ZINC000427977627 975372602 /nfs/dbraw/zinc/37/26/02/975372602.db2.gz ZAHJLNZGKPXQGT-UHFFFAOYSA-N 1 0 419.529 3.561 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc3c(c2)CCC(=O)N3)C1 ZINC000435624969 980966204 /nfs/dbraw/zinc/96/62/04/980966204.db2.gz ZABGHZXTCBHOEK-UHFFFAOYSA-N 1 0 416.525 3.931 20 10 HHCDRO CC(=O)Nc1ccc(CNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)cc1 ZINC000435627273 980966622 /nfs/dbraw/zinc/96/66/22/980966622.db2.gz LTLUPBJRUZZEOB-UHFFFAOYSA-N 1 0 418.541 3.683 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc([S@](C)=O)cc2)C1 ZINC000435816596 981043284 /nfs/dbraw/zinc/04/32/84/981043284.db2.gz HXEPPHHWKGEOEX-LJAQVGFWSA-N 1 0 409.555 3.784 20 10 HHCDRO Cc1cc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)nn1[C@H](C)C1CC1 ZINC000436021377 981161356 /nfs/dbraw/zinc/16/13/56/981161356.db2.gz INMNDYINBYNRTJ-GOSISDBHSA-N 1 0 419.573 4.522 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC([C@H]3CCCO3)CC2)C1 ZINC000444279245 986468495 /nfs/dbraw/zinc/46/84/95/986468495.db2.gz FGOBBUSGRNXFRF-XMMPIXPASA-N 1 0 409.574 3.825 20 10 HHCDRO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)Cc2cccc(O)c2)C1 ZINC000444334555 986512251 /nfs/dbraw/zinc/51/22/51/986512251.db2.gz HQRDRPZHHGGBDB-GOSISDBHSA-N 1 0 405.542 3.861 20 10 HHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000471830035 990008802 /nfs/dbraw/zinc/00/88/02/990008802.db2.gz BPKFNVNDGIKMMC-NRFANRHFSA-N 1 0 404.558 3.851 20 10 HHCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000472225541 993255576 /nfs/dbraw/zinc/25/55/76/993255576.db2.gz ZCSOPMXDQJOQEB-UHFFFAOYSA-N 1 0 419.573 3.730 20 10 HHCDRO CC(C)c1ncc(CN(C)C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)cn1 ZINC000508301383 1002807370 /nfs/dbraw/zinc/80/73/70/1002807370.db2.gz QVCYEMJVIIRGCC-UHFFFAOYSA-N 1 0 419.573 3.980 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2Cc2nc(-c3ccc(C(N)=O)cc3)no2)C1 ZINC000519782033 1009004736 /nfs/dbraw/zinc/00/47/36/1009004736.db2.gz OSDVGBHOPWHVAB-UHFFFAOYSA-N 1 0 415.497 3.605 20 10 HHCDRO CC[C@@H](OC1CCCCC1)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000760521441 1072503251 /nfs/dbraw/zinc/50/32/51/1072503251.db2.gz VHAURTYRKAAWDK-JOCHJYFZSA-N 1 0 405.558 3.712 20 10 HHCDRO CC[NH+](CC)Cc1ccc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1 ZINC000760973223 1074756181 /nfs/dbraw/zinc/75/61/81/1074756181.db2.gz WEGKVJKSHCTEGP-UHFFFAOYSA-N 1 0 415.921 3.852 20 10 HHCDRO CC[NH+](CC)[C@@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1ccsc1 ZINC000761006684 1075153996 /nfs/dbraw/zinc/15/39/96/1075153996.db2.gz WQZNRNXWNNKTOE-KRWDZBQOSA-N 1 0 421.950 3.954 20 10 HHCDRO CCOC(=O)c1c(NC(=O)CC[N@@H+]2C[C@H](O)C[C@@H]2C)sc(C)c1-c1ccccc1 ZINC000761105529 1075429939 /nfs/dbraw/zinc/42/99/39/1075429939.db2.gz OEDGLFNAFHGREM-WMLDXEAASA-N 1 0 416.543 3.684 20 10 HHCDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000761149235 1075535299 /nfs/dbraw/zinc/53/52/99/1075535299.db2.gz FIBVNINQGDJEOZ-BEFAXECRSA-N 1 0 413.905 3.645 20 10 HHCDRO COc1cc(Cl)cc(C[NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)c1O ZINC000761198173 1075581742 /nfs/dbraw/zinc/58/17/42/1075581742.db2.gz NUAPFAPWPPCJLW-UHFFFAOYSA-N 1 0 402.922 3.768 20 10 HHCDRO Cc1ccc([C@@H](CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)[NH+]2CCCC2)o1 ZINC000761208830 1075602732 /nfs/dbraw/zinc/60/27/32/1075602732.db2.gz NSFCEVNEWUAVBG-QGZVFWFLSA-N 1 0 417.893 3.548 20 10 HHCDRO COc1ccc(CN(C)c2ccc(OCC[NH+](C)C)cc2)c(Br)c1O ZINC000761219758 1075641940 /nfs/dbraw/zinc/64/19/40/1075641940.db2.gz CCKADKUBCASEKN-UHFFFAOYSA-N 1 0 409.324 3.740 20 10 HHCDRO COc1ccc([C@@H](C)C[NH+]2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000761220051 1075645938 /nfs/dbraw/zinc/64/59/38/1075645938.db2.gz SQXCPMJREJBJMI-KRWDZBQOSA-N 1 0 400.519 3.647 20 10 HHCDRO Brc1cncc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000301932937 971122289 /nfs/dbraw/zinc/12/22/89/971122289.db2.gz PQZCHZDKWBDRPC-UHFFFAOYSA-N 1 0 401.352 3.988 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3cccc(C(F)(F)F)c3)cc2F)CC1 ZINC000303291668 971603965 /nfs/dbraw/zinc/60/39/65/971603965.db2.gz LBQFIQRQSMOXFV-UHFFFAOYSA-N 1 0 423.454 3.845 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3sccc3OC(F)F)cc2F)CC1 ZINC000303301408 971611858 /nfs/dbraw/zinc/61/18/58/971611858.db2.gz MVZFLFLLQDHFHO-UHFFFAOYSA-N 1 0 413.465 3.561 20 10 HHCDRO CCN(C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1)[C@@H](C)c1cccnc1 ZINC000303678775 971956636 /nfs/dbraw/zinc/95/66/36/971956636.db2.gz JONVFPVGKIDZSX-SFHVURJKSA-N 1 0 413.541 3.655 20 10 HHCDRO CC[NH+]1CCC(NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)CC1 ZINC000011647640 962152195 /nfs/dbraw/zinc/15/21/95/962152195.db2.gz UGJAEVVKLOACFQ-UHFFFAOYSA-N 1 0 424.570 3.884 20 10 HHCDRO Fc1cc(C[NH2+]Cc2ccccc2OCc2cccnc2)ccc1N1CCOCC1 ZINC000048748782 964051675 /nfs/dbraw/zinc/05/16/75/964051675.db2.gz HQQNFWVILAPSID-UHFFFAOYSA-N 1 0 407.489 3.926 20 10 HHCDRO CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000096971040 969068626 /nfs/dbraw/zinc/06/86/26/969068626.db2.gz PPBULQUPLJESNK-QGZVFWFLSA-N 1 0 420.912 3.824 20 10 HHCDRO COc1ccc([C@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)N2CCOCC2)cc1 ZINC000104864308 969208670 /nfs/dbraw/zinc/20/86/70/969208670.db2.gz OWJPZVHBHWCFOK-VWLOTQADSA-N 1 0 409.574 3.849 20 10 HHCDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000108011236 969351452 /nfs/dbraw/zinc/35/14/52/969351452.db2.gz GYLGZPRCLXUCKW-WOJBJXKFSA-N 1 0 418.651 3.797 20 10 HHCDRO CN(C)c1ccc(CNC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000116204224 969880480 /nfs/dbraw/zinc/88/04/80/969880480.db2.gz OYGWERZGBOSGEG-NRFANRHFSA-N 1 0 405.464 3.823 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3c(Cl)cccc3Cl)CC2)cc1 ZINC000218399592 970085555 /nfs/dbraw/zinc/08/55/55/970085555.db2.gz HDVSDSRYYXWVIG-UHFFFAOYSA-N 1 0 422.356 3.944 20 10 HHCDRO COc1ccc(N2CCC[N@@H+]([C@@H](C(=O)N3CCCCC3)c3ccccc3)CC2)cc1 ZINC000226810863 970112163 /nfs/dbraw/zinc/11/21/63/970112163.db2.gz PRNVGGMYKLSLPL-XMMPIXPASA-N 1 0 407.558 3.961 20 10 HHCDRO CC(C)(C)c1cc(C[NH2+]CC2CCN(S(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000236778444 970171625 /nfs/dbraw/zinc/17/16/25/970171625.db2.gz GCAQHXVFSHPROK-UHFFFAOYSA-N 1 0 410.624 3.748 20 10 HHCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1F ZINC000236928083 970189823 /nfs/dbraw/zinc/18/98/23/970189823.db2.gz CUDKSIWYLKNOCO-UHFFFAOYSA-N 1 0 421.582 3.991 20 10 HHCDRO CN(C)c1ccc(C[NH2+]Cc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)cc1 ZINC000237174514 970235802 /nfs/dbraw/zinc/23/58/02/970235802.db2.gz BVQYFKZPGVIZIH-UHFFFAOYSA-N 1 0 419.548 3.903 20 10 HHCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000237388656 970275917 /nfs/dbraw/zinc/27/59/17/970275917.db2.gz MFDVJEGDVBDEDT-GOSISDBHSA-N 1 0 401.576 3.778 20 10 HHCDRO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)cc1 ZINC000237549025 970311411 /nfs/dbraw/zinc/31/14/11/970311411.db2.gz ACFAJMSRMRUYLM-OALUTQOASA-N 1 0 403.567 3.821 20 10 HHCDRO CN1CCCc2cc(CNC(=O)NC[C@@H]3CCC[N@H+](Cc4cccs4)C3)ccc21 ZINC000148965090 970377267 /nfs/dbraw/zinc/37/72/67/970377267.db2.gz CBRGLFGKXBAIFV-IBGZPJMESA-N 1 0 412.603 3.842 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1 ZINC000435618580 980964190 /nfs/dbraw/zinc/96/41/90/980964190.db2.gz ZJYFVVFGVYULSY-UHFFFAOYSA-N 1 0 424.932 3.799 20 10 HHCDRO COC(=O)c1sccc1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435674326 980982708 /nfs/dbraw/zinc/98/27/08/980982708.db2.gz YEZYLJLDRXDTPY-UHFFFAOYSA-N 1 0 411.527 3.895 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000435813234 981041700 /nfs/dbraw/zinc/04/17/00/981041700.db2.gz FPPZVEPHYUVJEL-INIZCTEOSA-N 1 0 423.561 3.966 20 10 HHCDRO CCOC(=O)c1cc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)cn1C ZINC000435818264 981044396 /nfs/dbraw/zinc/04/43/96/981044396.db2.gz OKMOGASHYFVWQB-UHFFFAOYSA-N 1 0 422.529 3.562 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](C3CCOCC3)C2)C1 ZINC000435916841 981091414 /nfs/dbraw/zinc/09/14/14/981091414.db2.gz KDMZQABIBRKHTE-FQEVSTJZSA-N 1 0 409.574 3.683 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@]2(C)CCO[C@H]2C2CC2)C1 ZINC000436004155 981147110 /nfs/dbraw/zinc/14/71/10/981147110.db2.gz JJLWAHXWNGNLMC-LOSJGSFVSA-N 1 0 409.574 3.729 20 10 HHCDRO Cc1cc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)nn1[C@@H](C)C1CC1 ZINC000436021378 981161457 /nfs/dbraw/zinc/16/14/57/981161457.db2.gz INMNDYINBYNRTJ-SFHVURJKSA-N 1 0 419.573 4.522 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCn2cnc3ccccc32)C1 ZINC000444095819 986294181 /nfs/dbraw/zinc/29/41/81/986294181.db2.gz HNTWOSDDKPWJOU-UHFFFAOYSA-N 1 0 415.541 3.574 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)C1 ZINC000444273967 986465847 /nfs/dbraw/zinc/46/58/47/986465847.db2.gz VSMLAJAWSZYGPQ-CYFREDJKSA-N 1 0 419.573 3.714 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3C[N@H+](C)C[C@H]3c3ccccc3)ccc21 ZINC000497403436 1001341198 /nfs/dbraw/zinc/34/11/98/1001341198.db2.gz HDJIYAAXFGCXHY-GOTSBHOMSA-N 1 0 405.542 3.732 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCC[C@H]2OC(F)F)C1 ZINC000501299986 1004339573 /nfs/dbraw/zinc/33/95/73/1004339573.db2.gz IVIWMDZZYRMRDU-YLJYHZDGSA-N 1 0 405.489 3.684 20 10 HHCDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](c2ccccc2)N2CCOCC2)ccc1N1CCCCC1 ZINC000913170418 1072343561 /nfs/dbraw/zinc/34/35/61/1072343561.db2.gz ZRYRHJCCJSFRDS-XMMPIXPASA-N 1 0 424.545 3.748 20 10 HHCDRO C[NH+]1CCC(N2C(=O)/C(=C/c3cc(F)ccc3Br)SC2=S)CC1 ZINC000761180195 1075565725 /nfs/dbraw/zinc/56/57/25/1075565725.db2.gz JCBVMJJKQWINGX-ZROIWOOFSA-N 1 0 415.353 3.884 20 10 HHCDRO COc1cc(Cl)cc(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)c1O ZINC000761195257 1075584205 /nfs/dbraw/zinc/58/42/05/1075584205.db2.gz LMZPKEKRHLGLIF-UHFFFAOYSA-N 1 0 400.866 3.879 20 10 HHCDRO COc1cc(N2CC[NH+](Cc3c[nH]nc3-c3cccc(C)c3)CC2)cc(OC)c1OC ZINC000761219991 1075641563 /nfs/dbraw/zinc/64/15/63/1075641563.db2.gz RCJBZSNOAOMJNE-UHFFFAOYSA-N 1 0 422.529 3.733 20 10 HHCDRO OCc1cc2ccccc2nc1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000301942822 971127218 /nfs/dbraw/zinc/12/72/18/971127218.db2.gz XSNVFVCCFCFDJC-UHFFFAOYSA-N 1 0 402.542 3.871 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H](c4ccccc4)C3)cc2F)CC1 ZINC000303322119 971628970 /nfs/dbraw/zinc/62/89/70/971628970.db2.gz RNKUUJNHGTVDQB-NRFANRHFSA-N 1 0 410.537 3.667 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(SC)ccc3C)cc2F)CC1 ZINC000303332001 971636291 /nfs/dbraw/zinc/63/62/91/971636291.db2.gz ULFAEUOZLPJUBO-UHFFFAOYSA-N 1 0 401.551 3.928 20 10 HHCDRO Cc1cc(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c(C)n1-c1cccc(C)c1 ZINC000303332953 971637000 /nfs/dbraw/zinc/63/70/00/971637000.db2.gz UBNSLSWPOKMAAC-QHCPKHFHSA-N 1 0 408.590 3.645 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C[C@H](C)c3cccc(F)c3)CC2)cc1 ZINC000303602313 971892265 /nfs/dbraw/zinc/89/22/65/971892265.db2.gz AOPNTJXMQQRXHM-IBGZPJMESA-N 1 0 413.537 3.656 20 10 HHCDRO CN1CCCc2cc(CNC(=O)NCC3CC[NH+](Cc4cccs4)CC3)ccc21 ZINC000061020920 966352880 /nfs/dbraw/zinc/35/28/80/966352880.db2.gz UMNHWJRUCVDHKK-UHFFFAOYSA-N 1 0 412.603 3.842 20 10 HHCDRO COc1ccc(N2CCC[N@H+](CC(=O)NCCc3ccc(C(C)C)cc3)CC2)cc1 ZINC000108092881 969356807 /nfs/dbraw/zinc/35/68/07/969356807.db2.gz HXBMIQJVDOFHAX-UHFFFAOYSA-N 1 0 409.574 3.690 20 10 HHCDRO CC[NH+](CC)CCN(C(=O)/C=C/c1cnn(C)c1)c1cccc(Br)c1 ZINC000108698495 969411966 /nfs/dbraw/zinc/41/19/66/969411966.db2.gz BPHKPJBPIFAOCD-MDZDMXLPSA-N 1 0 405.340 3.571 20 10 HHCDRO Cc1cnn(-c2ccc(C(=O)Nc3cccc(N4CC[NH+](CC5CC5)CC4)c3)cc2)c1 ZINC000108898481 969432348 /nfs/dbraw/zinc/43/23/48/969432348.db2.gz KTRXTEQSEHRPNH-UHFFFAOYSA-N 1 0 415.541 3.965 20 10 HHCDRO Cc1cc(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c(C)n1-c1ccccc1C ZINC000109529457 969528899 /nfs/dbraw/zinc/52/88/99/969528899.db2.gz UXZUSYTXEZJGKX-UHFFFAOYSA-N 1 0 409.574 3.977 20 10 HHCDRO COc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)cc2c1OCO2 ZINC000237252536 970249324 /nfs/dbraw/zinc/24/93/24/970249324.db2.gz NSYZJPAAFZYXBU-UHFFFAOYSA-N 1 0 424.419 3.569 20 10 HHCDRO COc1cccc(C[NH2+]CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1O ZINC000237371805 970273077 /nfs/dbraw/zinc/27/30/77/970273077.db2.gz GHOAHHGFMQLAJQ-UHFFFAOYSA-N 1 0 423.479 3.722 20 10 HHCDRO COc1ccc(C[NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)cc1C ZINC000237392678 970276421 /nfs/dbraw/zinc/27/64/21/970276421.db2.gz IQLUTEPDIVMSLB-UHFFFAOYSA-N 1 0 408.589 3.572 20 10 HHCDRO FC(F)(F)c1ccc(CN2CC[C@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000237719151 970346994 /nfs/dbraw/zinc/34/69/94/970346994.db2.gz SIACIWRWAOJNNK-NRFANRHFSA-N 1 0 419.491 3.906 20 10 HHCDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000237828510 970376292 /nfs/dbraw/zinc/37/62/92/970376292.db2.gz HZAAOYYAGWACEE-UHFFFAOYSA-N 1 0 417.435 3.617 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCC[C@@H]2c2ccnn2C)C1 ZINC000410292946 973825393 /nfs/dbraw/zinc/82/53/93/973825393.db2.gz JDDBEJNWZWHCLX-XMMPIXPASA-N 1 0 419.573 3.895 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(C)nn3C3CC[NH+](C)CC3)ccc21 ZINC000430496113 977599688 /nfs/dbraw/zinc/59/96/88/977599688.db2.gz NBIIDQPALBBUDK-UHFFFAOYSA-N 1 0 423.561 3.928 20 10 HHCDRO Cc1noc2ncc(NC(=O)Cn3c4ccccc4c4c3CC[N@@H+](C(C)C)C4)cc12 ZINC000435805931 981038512 /nfs/dbraw/zinc/03/85/12/981038512.db2.gz ZBYBBVHWSFFUGA-UHFFFAOYSA-N 1 0 403.486 3.891 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cnn(CC(F)(F)F)c2)C1 ZINC000435861173 981064125 /nfs/dbraw/zinc/06/41/25/981064125.db2.gz IEJSGFQSNQSAAH-UHFFFAOYSA-N 1 0 419.451 3.805 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCC(=O)Nc2ccccc2)C1 ZINC000435871074 981070183 /nfs/dbraw/zinc/07/01/83/981070183.db2.gz QMJGVTCKVPQQFT-UHFFFAOYSA-N 1 0 418.541 3.553 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H]([C@@H]3CCOC3)C2)C1 ZINC000435906717 981086576 /nfs/dbraw/zinc/08/65/76/981086576.db2.gz HRXRCRFYBVFBRB-WOJBJXKFSA-N 1 0 409.574 3.683 20 10 HHCDRO CC[NH+]1CCN(c2ccccc2NC(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000471118260 989223167 /nfs/dbraw/zinc/22/31/67/989223167.db2.gz CCMAFVIVJOWMEP-UHFFFAOYSA-N 1 0 405.546 3.950 20 10 HHCDRO COc1ccc([C@@H](CNC(=O)NCc2c(C)c3ccccc3n2C)[NH+](C)C)cc1OC ZINC000471496527 989694851 /nfs/dbraw/zinc/69/48/51/989694851.db2.gz PURQJSDQNPXJOE-OAQYLSRUSA-N 1 0 424.545 3.606 20 10 HHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000471608761 989813231 /nfs/dbraw/zinc/81/32/31/989813231.db2.gz FUPDHGLJNAFVTM-UHFFFAOYSA-N 1 0 404.558 3.993 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)ccc21 ZINC000484672160 997011259 /nfs/dbraw/zinc/01/12/59/997011259.db2.gz XEXJGXDGSBRQRO-UHFFFAOYSA-N 1 0 420.557 3.694 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccc3c(c2)CCO3)C1 ZINC000516236964 1006966960 /nfs/dbraw/zinc/96/69/60/1006966960.db2.gz SNDKQERIAYDXFX-UHFFFAOYSA-N 1 0 403.526 3.659 20 10 HHCDRO CC(C)(C)c1cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c(O)c(C(C)(C)C)c1 ZINC000729678903 1071797731 /nfs/dbraw/zinc/79/77/31/1071797731.db2.gz WCEAYCSKEWLTDE-UHFFFAOYSA-N 1 0 418.603 3.967 20 10 HHCDRO CO[C@@](C)(C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccccc1F ZINC000760454574 1072361804 /nfs/dbraw/zinc/36/18/04/1072361804.db2.gz LHVYIBBBFADPQB-HTAPYJJXSA-N 1 0 420.912 3.827 20 10 HHCDRO CCCc1c(NCc2ccc(N3CC[NH+](C)CC3)cc2)cnn1-c1cc(C)ccn1 ZINC000760651806 1072476600 /nfs/dbraw/zinc/47/66/00/1072476600.db2.gz DYVKNDOXGLGRRI-UHFFFAOYSA-N 1 0 404.562 3.892 20 10 HHCDRO CC(C)(C)OC(=O)N1CCC(C[NH2+]Cc2ccc(N3CCSCC3)cc2)CC1 ZINC000760659314 1072537940 /nfs/dbraw/zinc/53/79/40/1072537940.db2.gz XUXXSQCBVFWFTF-UHFFFAOYSA-N 1 0 405.608 3.977 20 10 HHCDRO CC(C)(C)OC(=O)N1CCC(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CC1 ZINC000760661015 1072547848 /nfs/dbraw/zinc/54/78/48/1072547848.db2.gz ANFOYGJXLONQCD-UHFFFAOYSA-N 1 0 417.594 3.632 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2Cc2nc(-c3cnc4cnccn43)no2)C1 ZINC000571413496 1072615531 /nfs/dbraw/zinc/61/55/31/1072615531.db2.gz MPTRAFIRNHXOIV-UHFFFAOYSA-N 1 0 413.485 3.549 20 10 HHCDRO CC[C@@H](CC(F)(F)F)NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000760720067 1073376423 /nfs/dbraw/zinc/37/64/23/1073376423.db2.gz SAPSZKLXOAZHKB-SFHVURJKSA-N 1 0 412.500 3.749 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2Cc2nc(-c3ccc(N(C)C)nc3)no2)C1 ZINC000567961903 1074085074 /nfs/dbraw/zinc/08/50/74/1074085074.db2.gz PGRUPMWBQIYBTB-UHFFFAOYSA-N 1 0 416.529 3.967 20 10 HHCDRO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000761030796 1075209744 /nfs/dbraw/zinc/20/97/44/1075209744.db2.gz OLFDEQIGPPNPOZ-LJQANCHMSA-N 1 0 413.905 3.647 20 10 HHCDRO COc1cc(Cl)cc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1O ZINC000761183470 1075567554 /nfs/dbraw/zinc/56/75/54/1075567554.db2.gz LLIBTIHJGVRDLU-UHFFFAOYSA-N 1 0 418.877 3.634 20 10 HHCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c1O ZINC000761192648 1075576860 /nfs/dbraw/zinc/57/68/60/1075576860.db2.gz WLYPHPZUBLROQP-LBPRGKRZSA-N 1 0 410.301 3.953 20 10 HHCDRO COc1cc(Cl)cc(C[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1O ZINC000761192480 1075576928 /nfs/dbraw/zinc/57/69/28/1075576928.db2.gz NYAXAQFYHWJPIL-UHFFFAOYSA-N 1 0 407.873 3.979 20 10 HHCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)c1O ZINC000761198852 1075581433 /nfs/dbraw/zinc/58/14/33/1075581433.db2.gz WACRJHJGKUZJNP-SFHVURJKSA-N 1 0 411.329 3.871 20 10 HHCDRO COc1cc(Cl)cc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1O ZINC000761216400 1075632975 /nfs/dbraw/zinc/63/29/75/1075632975.db2.gz QKWABEIELWJUJL-RBUKOAKNSA-N 1 0 411.329 3.869 20 10 HHCDRO COc1cc(Cl)cc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c1O ZINC000761216402 1075632998 /nfs/dbraw/zinc/63/29/98/1075632998.db2.gz QKWABEIELWJUJL-RTBURBONSA-N 1 0 411.329 3.869 20 10 HHCDRO COc1cc(N2CC[NH+](Cc3cc(C)c(OC)c(C)c3)CC2)cc(OC)c1OC ZINC000761218890 1075636703 /nfs/dbraw/zinc/63/67/03/1075636703.db2.gz LFXDEZCOWYRETF-UHFFFAOYSA-N 1 0 400.519 3.660 20 10 HHCDRO CC(C)(C)n1ncc2c1ncnc2NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000301937906 971125426 /nfs/dbraw/zinc/12/54/26/971125426.db2.gz UDEQJKYMBMZPCY-UHFFFAOYSA-N 1 0 419.577 3.725 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2F)CC1 ZINC000303270194 971589566 /nfs/dbraw/zinc/58/95/66/971589566.db2.gz FUBLJKACVAXGBB-UHFFFAOYSA-N 1 0 409.427 3.916 20 10 HHCDRO CCN(C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1)[C@H](C)c1cccnc1 ZINC000303678773 971956928 /nfs/dbraw/zinc/95/69/28/971956928.db2.gz JONVFPVGKIDZSX-GOSISDBHSA-N 1 0 413.541 3.655 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C[C@@H]3CCOc4ccccc43)cc2F)CC1 ZINC000303684283 971960721 /nfs/dbraw/zinc/96/07/21/971960721.db2.gz NLBIYRVHHFFQHL-IBGZPJMESA-N 1 0 411.521 3.540 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNC(=S)Nc3cc(C)ccc3C)CC2)cc1 ZINC000007027538 960982661 /nfs/dbraw/zinc/98/26/61/960982661.db2.gz XNSNANUMAXKLAL-UHFFFAOYSA-N 1 0 412.603 3.811 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cccc4ccccc43)CC2)cc1 ZINC000011853448 962202532 /nfs/dbraw/zinc/20/25/32/962202532.db2.gz NINSBBKJTCMGMM-UHFFFAOYSA-N 1 0 403.526 3.791 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000011853413 962202632 /nfs/dbraw/zinc/20/26/32/962202632.db2.gz XMJSPUZQLIGTEA-UHFFFAOYSA-N 1 0 421.463 3.656 20 10 HHCDRO COc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1Br ZINC000015571949 962796968 /nfs/dbraw/zinc/79/69/68/962796968.db2.gz UFUWERGODXAFBZ-UHFFFAOYSA-N 1 0 405.336 3.926 20 10 HHCDRO Cc1cc(CN2CC[NH+](Cc3c(O)ccc4cc(Br)ccc43)CC2)on1 ZINC000022243979 963616589 /nfs/dbraw/zinc/61/65/89/963616589.db2.gz UEXLZBCSOPIEMG-UHFFFAOYSA-N 1 0 416.319 3.922 20 10 HHCDRO CN(C(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)[C@H]1CCCc2ccccc21 ZINC000096971106 969068282 /nfs/dbraw/zinc/06/82/82/969068282.db2.gz RVTNKPZVKHSVBK-GMAHTHKFSA-N 1 0 408.542 3.909 20 10 HHCDRO CN(C)c1ccc(C[N@H+](C)Cn2ccc(=O)c3cccc(Br)c32)cc1 ZINC000110441417 969668786 /nfs/dbraw/zinc/66/87/86/969668786.db2.gz JKHOAEYBYIHIAR-UHFFFAOYSA-N 1 0 400.320 3.920 20 10 HHCDRO COc1ccc(N2CCC(NC(=O)NCCCC[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)cc1 ZINC000110464725 969672900 /nfs/dbraw/zinc/67/29/00/969672900.db2.gz YMMHJLXRLAMHIE-PMACEKPBSA-N 1 0 416.610 3.721 20 10 HHCDRO CCC[N@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)Cc1ccccc1O ZINC000110738516 969715661 /nfs/dbraw/zinc/71/56/61/969715661.db2.gz ATSICGCWUSUHQT-NRFANRHFSA-N 1 0 412.530 3.985 20 10 HHCDRO C[C@H](NC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000139991569 970057706 /nfs/dbraw/zinc/05/77/06/970057706.db2.gz XCAIGWAMJYMMII-NJYVYQBISA-N 1 0 416.610 3.642 20 10 HHCDRO CCc1cc2c(C[NH2+][C@H](C)c3ccc(N4CCOCC4)cc3)cc(=O)oc2cc1O ZINC000140203416 970067627 /nfs/dbraw/zinc/06/76/27/970067627.db2.gz UBAYMMPYVPYEHR-MRXNPFEDSA-N 1 0 408.498 3.748 20 10 HHCDRO CN(C(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)[C@@H]1CCCc2ccccc21 ZINC000216473174 970075301 /nfs/dbraw/zinc/07/53/01/970075301.db2.gz RVTNKPZVKHSVBK-FYYLOGMGSA-N 1 0 408.542 3.909 20 10 HHCDRO COC(=O)COc1c(C)cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cc1C ZINC000237188373 970238018 /nfs/dbraw/zinc/23/80/18/970238018.db2.gz RBFADONAOSBLCO-LJQANCHMSA-N 1 0 412.530 3.543 20 10 HHCDRO COc1cc(-c2noc(CCCCC[NH2+]Cc3ccc4c(c3)CCO4)n2)ccc1O ZINC000237470563 970294550 /nfs/dbraw/zinc/29/45/50/970294550.db2.gz RSKZXLSNIFFNDV-UHFFFAOYSA-N 1 0 409.486 3.888 20 10 HHCDRO O=C1CCCN1C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cccc(C(F)(F)F)c1 ZINC000238138652 970447826 /nfs/dbraw/zinc/44/78/26/970447826.db2.gz ARZXCHYNCFNDJQ-MRXNPFEDSA-N 1 0 422.403 3.593 20 10 HHCDRO COC(=O)c1ccc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)s1 ZINC000435613043 980962642 /nfs/dbraw/zinc/96/26/42/980962642.db2.gz IPWXWAWNSPIATL-UHFFFAOYSA-N 1 0 411.527 3.895 20 10 HHCDRO COC[C@@H](NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)c1ccccc1 ZINC000435719215 981000857 /nfs/dbraw/zinc/00/08/57/981000857.db2.gz JVKSTHAAEPHGFX-JOCHJYFZSA-N 1 0 405.542 3.912 20 10 HHCDRO COC[C@@H](NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)c1ccc(C)o1 ZINC000435809463 981040236 /nfs/dbraw/zinc/04/02/36/981040236.db2.gz MQEMUFQNWOAGEI-HXUWFJFHSA-N 1 0 409.530 3.813 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cnccc2-n2cccn2)C1 ZINC000435873307 981071599 /nfs/dbraw/zinc/07/15/99/981071599.db2.gz CKENKJYJUULGFJ-UHFFFAOYSA-N 1 0 414.513 3.627 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)C1 ZINC000473416229 994268674 /nfs/dbraw/zinc/26/86/74/994268674.db2.gz XWORFUVRAYVUMI-KRWDZBQOSA-N 1 0 421.545 3.664 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](c3cccc(OC)c3)[NH+](C)C)ccc21 ZINC000484933394 997309674 /nfs/dbraw/zinc/30/96/74/997309674.db2.gz JKILVRMLJYGYTL-DEOSSOPVSA-N 1 0 423.557 3.946 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)N(CC[NH+](C)C)Cc3cccc(O)c3)ccc21 ZINC000494785769 1000655210 /nfs/dbraw/zinc/65/52/10/1000655210.db2.gz BQILEDCNAHEUNE-UHFFFAOYSA-N 1 0 423.557 3.814 20 10 HHCDRO O=C(Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C2=S=CC=C2)o1 ZINC000544009141 1009610325 /nfs/dbraw/zinc/61/03/25/1009610325.db2.gz GOZZKXFDDBIQFW-SFHVURJKSA-N 1 0 418.522 3.801 20 10 HHCDRO CC(C)[C@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)[NH+]1CCC(C)CC1 ZINC000761003885 1075150268 /nfs/dbraw/zinc/15/02/68/1075150268.db2.gz JUXUEVBLVVJLHS-SFHVURJKSA-N 1 0 407.942 3.566 20 10 HHCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1O ZINC000761198154 1075581722 /nfs/dbraw/zinc/58/17/22/1075581722.db2.gz MZNRWZIYBAEBRC-HUUCEWRRSA-N 1 0 418.921 3.593 20 10 HHCDRO c1cc(N2CC[NH+](CC3CC3)CC2)ccc1CNc1cc(N2CCCCC2)ncn1 ZINC000301937595 971124846 /nfs/dbraw/zinc/12/48/46/971124846.db2.gz TWXJHQQPWHJEGU-UHFFFAOYSA-N 1 0 406.578 3.611 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNC(=O)Cc3ccc(CC(C)C)cc3)CC2)cc1 ZINC000302853946 971355169 /nfs/dbraw/zinc/35/51/69/971355169.db2.gz CFHKBXFJWABPFX-UHFFFAOYSA-N 1 0 423.601 3.765 20 10 HHCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000302897315 971378636 /nfs/dbraw/zinc/37/86/36/971378636.db2.gz MEXOKFOEFFDTQS-XMMPIXPASA-N 1 0 422.573 3.502 20 10 HHCDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000303034068 971468806 /nfs/dbraw/zinc/46/88/06/971468806.db2.gz UQMQZIYKDOQXMI-UYAOXDASSA-N 1 0 403.567 3.593 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCc3cccc(Cl)c3)cc2F)CC1 ZINC000303318651 971625684 /nfs/dbraw/zinc/62/56/84/971625684.db2.gz QSSPBRIFHHXKMZ-UHFFFAOYSA-N 1 0 418.944 3.663 20 10 HHCDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)[C@@H](C)C1 ZINC000303726563 971979808 /nfs/dbraw/zinc/97/98/08/971979808.db2.gz SXJRNLCYEPRVRY-UUOWRZLLSA-N 1 0 422.573 3.833 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc4c(c3)CCCC4)CC2)cc1 ZINC000024088976 963938744 /nfs/dbraw/zinc/93/87/44/963938744.db2.gz ZDZDOCMPUGQTNM-UHFFFAOYSA-N 1 0 407.558 3.516 20 10 HHCDRO CCN(CC)c1ccc(C[NH2+]C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000030653363 965756036 /nfs/dbraw/zinc/75/60/36/965756036.db2.gz FLWZDAVUSGDUFQ-UHFFFAOYSA-N 1 0 415.603 3.784 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNc3ccc([N+](=O)[O-])c4cccnc34)CC2)cc1 ZINC000037162668 966473387 /nfs/dbraw/zinc/47/33/87/966473387.db2.gz RDDAWJUWWDPBQR-UHFFFAOYSA-N 1 0 421.501 3.776 20 10 HHCDRO CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000064644594 967258941 /nfs/dbraw/zinc/25/89/41/967258941.db2.gz XQPOGZYSCGXEMZ-IBGZPJMESA-N 1 0 400.592 3.868 20 10 HHCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](Cc1cccc(Cl)c1)C(C)C)cc2=O ZINC000071956800 968909070 /nfs/dbraw/zinc/90/90/70/968909070.db2.gz KDEVUBRCSXTIQA-UHFFFAOYSA-N 1 0 402.882 3.676 20 10 HHCDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000108011229 969351530 /nfs/dbraw/zinc/35/15/30/969351530.db2.gz GYLGZPRCLXUCKW-BGYRXZFFSA-N 1 0 418.651 3.797 20 10 HHCDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000108810112 969421652 /nfs/dbraw/zinc/42/16/52/969421652.db2.gz AOTYZQWUZGQZEW-REWPJTCUSA-N 1 0 422.573 3.500 20 10 HHCDRO CCC[N@H+](CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC)Cc1ccccc1O ZINC000111087340 969774617 /nfs/dbraw/zinc/77/46/17/969774617.db2.gz UQPAEYKKPNOFJL-OAQYLSRUSA-N 1 0 412.530 3.985 20 10 HHCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(CCc3ccc(O)cc3)CC2)cc1 ZINC000115570304 969841889 /nfs/dbraw/zinc/84/18/89/969841889.db2.gz QNUYXVJDEGEEHK-UHFFFAOYSA-N 1 0 409.574 3.761 20 10 HHCDRO C[C@H](NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000139991274 970057507 /nfs/dbraw/zinc/05/75/07/970057507.db2.gz XCAIGWAMJYMMII-HBMCJLEFSA-N 1 0 416.610 3.642 20 10 HHCDRO CCN(CC)c1ccc(C[NH2+]C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000236958434 970194903 /nfs/dbraw/zinc/19/49/03/970194903.db2.gz WAECOMRWQUJMMI-UHFFFAOYSA-N 1 0 415.603 3.617 20 10 HHCDRO CCc1noc(-c2ccc(CC[NH2+]Cc3ccc(N4CCOCC4)c(F)c3)cc2)n1 ZINC000237136861 970229314 /nfs/dbraw/zinc/22/93/14/970229314.db2.gz BJGHBVKDOCWUJG-UHFFFAOYSA-N 1 0 410.493 3.607 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNCc3csc(-c4ccccn4)n3)CC2)cc1 ZINC000237275130 970253540 /nfs/dbraw/zinc/25/35/40/970253540.db2.gz UMOQUHBFEPIIHM-UHFFFAOYSA-N 1 0 423.586 3.516 20 10 HHCDRO COCc1nc2n(n1)C[C@@H]([NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)CC2 ZINC000237279405 970254456 /nfs/dbraw/zinc/25/44/56/970254456.db2.gz SNXBOIMXERWQCS-KRWDZBQOSA-N 1 0 400.567 3.830 20 10 HHCDRO COc1ccc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1[N+](=O)[O-] ZINC000237369244 970272124 /nfs/dbraw/zinc/27/21/24/970272124.db2.gz SMOGPGXHRSEBQX-HNNXBMFYSA-N 1 0 407.417 3.963 20 10 HHCDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000237829888 970376258 /nfs/dbraw/zinc/37/62/58/970376258.db2.gz CKDUSRDVRIFSKL-UHFFFAOYSA-N 1 0 408.420 3.603 20 10 HHCDRO Cc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)c(C)n1-c1cccc(C)c1 ZINC000195584425 970529110 /nfs/dbraw/zinc/52/91/10/970529110.db2.gz CJVFEWIPSGETAN-UHFFFAOYSA-N 1 0 403.530 3.802 20 10 HHCDRO COc1ccc(N2CCC[N@H+](CCC(=O)N[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000255048699 970583765 /nfs/dbraw/zinc/58/37/65/970583765.db2.gz RKFVAVZUFHIMMO-DEOSSOPVSA-N 1 0 407.558 3.791 20 10 HHCDRO COC(=O)c1ccccc1N(C)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435664956 980978468 /nfs/dbraw/zinc/97/84/68/980978468.db2.gz WBLCDVZDAUQDBP-UHFFFAOYSA-N 1 0 419.525 3.857 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(CC(F)(F)F)[C@H]2CCOC2)C1 ZINC000435811159 981040922 /nfs/dbraw/zinc/04/09/22/981040922.db2.gz VRLBRGXJDRGPLS-INIZCTEOSA-N 1 0 423.479 3.588 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2COc3ccc(F)cc32)C1 ZINC000436003834 981146453 /nfs/dbraw/zinc/14/64/53/981146453.db2.gz IPQUWVVQHWNRJZ-FQEVSTJZSA-N 1 0 407.489 3.797 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(NC(N)=O)c2)C1 ZINC000443905829 986104558 /nfs/dbraw/zinc/10/45/58/986104558.db2.gz XTECUUYXTNIOLO-UHFFFAOYSA-N 1 0 405.502 3.537 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC(c3c[nH]cn3)CC2)C1 ZINC000444275752 986467255 /nfs/dbraw/zinc/46/72/55/986467255.db2.gz DWTRYDSRORRHED-UHFFFAOYSA-N 1 0 405.546 3.537 20 10 HHCDRO COc1cc(C[NH2+]Cc2c(C)c3ccccc3n2C)ccc1OCC(=O)N1CCCC1 ZINC000475194392 995988676 /nfs/dbraw/zinc/98/86/76/995988676.db2.gz VMKDRPONLKANFX-UHFFFAOYSA-N 1 0 421.541 3.786 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(F)c(NC(N)=O)c2)C1 ZINC000478509703 999001701 /nfs/dbraw/zinc/00/17/01/999001701.db2.gz QVOVTTMIGYIHPO-UHFFFAOYSA-N 1 0 423.492 3.676 20 10 HHCDRO Cc1cncn1C1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CC1 ZINC000505659739 1000960422 /nfs/dbraw/zinc/96/04/22/1000960422.db2.gz QKZTWIGUEPDQPL-UHFFFAOYSA-N 1 0 419.573 3.776 20 10 HHCDRO CCOc1ccc(N2CC[NH+](CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC001168331514 1072510862 /nfs/dbraw/zinc/51/08/62/1072510862.db2.gz JFZRUIQITNXPHW-UHFFFAOYSA-N 1 0 403.567 3.854 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](C)Oc3ccccc3Cl)cc2F)CC1 ZINC000730192575 1074136792 /nfs/dbraw/zinc/13/67/92/1074136792.db2.gz GZPGEXDRCYFGPL-MRXNPFEDSA-N 1 0 419.928 3.705 20 10 HHCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000760869945 1074493701 /nfs/dbraw/zinc/49/37/01/1074493701.db2.gz YGGSPZMVXCKYGJ-MRXNPFEDSA-N 1 0 419.319 3.898 20 10 HHCDRO CC[NH+](CC)Cc1cccc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1 ZINC000760997890 1075121157 /nfs/dbraw/zinc/12/11/57/1075121157.db2.gz CWJNVGIURAOWRH-UHFFFAOYSA-N 1 0 415.921 3.852 20 10 HHCDRO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1cccc(C[NH+]2CCCC2)c1 ZINC000761001750 1075129718 /nfs/dbraw/zinc/12/97/18/1075129718.db2.gz ZISPVFGSZDFBFS-UHFFFAOYSA-N 1 0 413.905 3.606 20 10 HHCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1O ZINC000761205619 1075595994 /nfs/dbraw/zinc/59/59/94/1075595994.db2.gz HEPKBULSCGOIDU-OAHLLOKOSA-N 1 0 414.811 3.968 20 10 HHCDRO COc1cc(N2CC[NH+](Cc3ccc4c(c3)CC(C)(C)O4)CC2)cc(OC)c1OC ZINC000761220769 1075646981 /nfs/dbraw/zinc/64/69/81/1075646981.db2.gz XOKCKKQICTUEMU-UHFFFAOYSA-N 1 0 412.530 3.748 20 10 HHCDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000303034066 971468658 /nfs/dbraw/zinc/46/86/58/971468658.db2.gz UQMQZIYKDOQXMI-QUCCMNQESA-N 1 0 403.567 3.593 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NC3(c4ccccc4)CCC3)CC2)cc1 ZINC000303107975 971507710 /nfs/dbraw/zinc/50/77/10/971507710.db2.gz ARQMIVDMJCGHHN-UHFFFAOYSA-N 1 0 422.573 3.586 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(-c4ccco4)nc3C)cc2F)CC1 ZINC000303320375 971627311 /nfs/dbraw/zinc/62/73/11/971627311.db2.gz REKODVMHACNZEZ-UHFFFAOYSA-N 1 0 422.504 3.861 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCc3ccccc3Cl)cc2F)CC1 ZINC000303350397 971649548 /nfs/dbraw/zinc/64/95/48/971649548.db2.gz YERQECMEFVEZDM-UHFFFAOYSA-N 1 0 418.944 3.663 20 10 HHCDRO COc1ccc(-n2c(C)cc(C(=O)Nc3cc(C(N)=O)ccc3C[NH+](C)C)c2C)cc1 ZINC000303872435 972414088 /nfs/dbraw/zinc/41/40/88/972414088.db2.gz VDQUZEDAFOXBHN-UHFFFAOYSA-N 1 0 420.513 3.516 20 10 HHCDRO Cc1cc(O)c(C[NH+]2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)cc1C ZINC000016360008 963022674 /nfs/dbraw/zinc/02/26/74/963022674.db2.gz FRKJFTWVWPUARV-UHFFFAOYSA-N 1 0 424.932 3.531 20 10 HHCDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000051131965 964469160 /nfs/dbraw/zinc/46/91/60/964469160.db2.gz XYUSDZXAPLPABR-WIOPSUGQSA-N 1 0 409.574 3.811 20 10 HHCDRO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000065698424 968596810 /nfs/dbraw/zinc/59/68/10/968596810.db2.gz CJHYAMXYNFQFID-HXUWFJFHSA-N 1 0 404.599 3.594 20 10 HHCDRO COc1ccc(N2CCC[N@H+](CC(=O)N(C)[C@H](C)c3ccc(F)c(F)c3)CC2)cc1 ZINC000097494673 969147645 /nfs/dbraw/zinc/14/76/45/969147645.db2.gz FFXGUFLOARKOOU-QGZVFWFLSA-N 1 0 417.500 3.705 20 10 HHCDRO CC[N@H+](C)[C@@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1ccccc1 ZINC000110740301 969716287 /nfs/dbraw/zinc/71/62/87/969716287.db2.gz CYYAQQMSFLDAGZ-IEGUWTFLSA-N 1 0 413.537 3.749 20 10 HHCDRO Cc1cc(C(=O)CN2CCC([NH2+]C(C)C)CC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000111056682 969768652 /nfs/dbraw/zinc/76/86/52/969768652.db2.gz KUKFAAWSCFSRKC-UHFFFAOYSA-N 1 0 411.546 3.510 20 10 HHCDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000227372841 970117726 /nfs/dbraw/zinc/11/77/26/970117726.db2.gz AOTYZQWUZGQZEW-NFBKMPQASA-N 1 0 422.573 3.500 20 10 HHCDRO Cc1cc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1-n1cncn1 ZINC000237767688 970361943 /nfs/dbraw/zinc/36/19/43/970361943.db2.gz GRXDZXROHJEMKF-SFHVURJKSA-N 1 0 413.472 3.936 20 10 HHCDRO COc1cccc(CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)c1OC ZINC000435633056 980968686 /nfs/dbraw/zinc/96/86/86/980968686.db2.gz AMWUJYLIYOTNCS-UHFFFAOYSA-N 1 0 421.541 3.741 20 10 HHCDRO COCc1ccccc1CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435637857 980970451 /nfs/dbraw/zinc/97/04/51/980970451.db2.gz QBBFAAPQRNSENG-UHFFFAOYSA-N 1 0 405.542 3.871 20 10 HHCDRO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)CCc2cccn2C)C1 ZINC000435807624 981039358 /nfs/dbraw/zinc/03/93/58/981039358.db2.gz HMSQTCUMTPLELF-LJQANCHMSA-N 1 0 406.574 3.884 20 10 HHCDRO Cc1ccc([C@@H]2COCCN2C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)o1 ZINC000435862671 981064642 /nfs/dbraw/zinc/06/46/42/981064642.db2.gz PGHRRUQYJHTWHU-QHCPKHFHSA-N 1 0 421.541 3.909 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccc3c(c2)COC3)C1 ZINC000435909499 981088008 /nfs/dbraw/zinc/08/80/08/981088008.db2.gz SVOKFIRFCLSDEB-UHFFFAOYSA-N 1 0 403.526 3.754 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@]3(CCCOC3)C2)C1 ZINC000444240766 986432773 /nfs/dbraw/zinc/43/27/73/986432773.db2.gz DNCSPMBLBGOITA-VWLOTQADSA-N 1 0 409.574 3.827 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccc3c(n2)CCCC3)C1 ZINC000444285460 986474298 /nfs/dbraw/zinc/47/42/98/986474298.db2.gz ISSPJEDCGLSMGV-UHFFFAOYSA-N 1 0 416.569 3.998 20 10 HHCDRO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)CC(=O)c2ccco2)C1 ZINC000444300714 986486288 /nfs/dbraw/zinc/48/62/88/986486288.db2.gz ANKBGAOLWLWYPG-QGZVFWFLSA-N 1 0 407.514 3.779 20 10 HHCDRO Cc1ccnc([C@@H](NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C2CC2)n1 ZINC000444326653 986506354 /nfs/dbraw/zinc/50/63/54/986506354.db2.gz PHSVCZGIUXYDLW-DEOSSOPVSA-N 1 0 417.557 3.774 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccccc2-c2nc[nH]n2)C1 ZINC000444335400 986512926 /nfs/dbraw/zinc/51/29/26/986512926.db2.gz GULAQAYXWFDWTQ-UHFFFAOYSA-N 1 0 414.513 3.832 20 10 HHCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000472222614 993252092 /nfs/dbraw/zinc/25/20/92/993252092.db2.gz RCCNMCSJGYKOSD-HDICACEKSA-N 1 0 412.578 3.518 20 10 HHCDRO COc1ccc(C[N@@H+]2CCCN(C(=O)NCc3c(C)c4ccccc4n3C)CC2)cc1 ZINC000472231802 993260918 /nfs/dbraw/zinc/26/09/18/993260918.db2.gz KPQKKAUFPLQHLI-UHFFFAOYSA-N 1 0 420.557 3.913 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)NC3CC[NH+](CCOC(C)C)CC3)ccc21 ZINC000474870900 995766133 /nfs/dbraw/zinc/76/61/33/995766133.db2.gz DMVCHTOMXITWAA-UHFFFAOYSA-N 1 0 415.578 3.524 20 10 HHCDRO Cc1c2ccccc2n(C)c1CNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000509411033 1003841356 /nfs/dbraw/zinc/84/13/56/1003841356.db2.gz NRAXUROOPVFTAN-UHFFFAOYSA-N 1 0 415.541 3.842 20 10 HHCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000513683338 1005080970 /nfs/dbraw/zinc/08/09/70/1005080970.db2.gz JKLMUSVYBWZAMB-LJQANCHMSA-N 1 0 415.484 3.635 20 10 HHCDRO COc1ccc(-c2noc(Cn3c4ccccc4c4c3CC[N@H+](C(C)C)C4)n2)cn1 ZINC000517779985 1007962412 /nfs/dbraw/zinc/96/24/12/1007962412.db2.gz LRNICWUGOJOADM-UHFFFAOYSA-N 1 0 403.486 3.910 20 10 HHCDRO Cc1cccc(CCCNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)n1 ZINC000552601425 1012601398 /nfs/dbraw/zinc/60/13/98/1012601398.db2.gz UYJPNBIPHBYPJF-UHFFFAOYSA-N 1 0 404.558 3.860 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@H](C)c3ccc(F)cc3)cc2F)CC1 ZINC000730121944 1072572392 /nfs/dbraw/zinc/57/23/92/1072572392.db2.gz FKYXBLGDQSRGRL-KRWDZBQOSA-N 1 0 416.516 3.710 20 10 HHCDRO COc1cc(Br)cc(C[NH2+]CCOc2ccc(C(F)(F)F)cn2)c1O ZINC000760700277 1073134466 /nfs/dbraw/zinc/13/44/66/1073134466.db2.gz GNQJZVKZODWOOP-UHFFFAOYSA-N 1 0 421.213 3.746 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc4cccc(OC)c4o3)cc2F)CC1 ZINC000730192580 1074136937 /nfs/dbraw/zinc/13/69/37/1074136937.db2.gz HKXYAZWXLANXDJ-UHFFFAOYSA-N 1 0 411.477 3.652 20 10 HHCDRO Cc1cc(C(=O)CN2CCC([NH+]3CCN(C(C)C)CC3)CC2)c(C)n1-c1ccccc1 ZINC000761120204 1075491554 /nfs/dbraw/zinc/49/15/54/1075491554.db2.gz AYQGSJJCVBKCFS-UHFFFAOYSA-N 1 0 422.617 3.767 20 10 HHCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c1O ZINC000761216761 1075633039 /nfs/dbraw/zinc/63/30/39/1075633039.db2.gz RADHASFTTYMWJC-INIZCTEOSA-N 1 0 402.857 3.556 20 10 HHCDRO Cc1cc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)nc(-c2cccnc2)n1 ZINC000301943910 971127788 /nfs/dbraw/zinc/12/77/88/971127788.db2.gz YPHWDIJEFWFPCU-UHFFFAOYSA-N 1 0 414.557 3.991 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H]3Cc3ccccc3)cc2F)CC1 ZINC000303339801 971641733 /nfs/dbraw/zinc/64/17/33/971641733.db2.gz VVIMFXJHYDWPBR-QFIPXVFZSA-N 1 0 424.564 3.884 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccccc3C(F)(F)F)cc2F)CC1 ZINC000303344457 971645791 /nfs/dbraw/zinc/64/57/91/971645791.db2.gz WVKCUZHMLPVENN-UHFFFAOYSA-N 1 0 409.427 3.916 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCCOc3ccccc3C)cc2F)CC1 ZINC000303357602 971656088 /nfs/dbraw/zinc/65/60/88/971656088.db2.gz ZTZBLJPFORHVMP-UHFFFAOYSA-N 1 0 413.537 3.751 20 10 HHCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cn1ncc2c1cccc2Br ZINC000303531465 971831960 /nfs/dbraw/zinc/83/19/60/971831960.db2.gz WTEZTLAOXBYLNQ-UHFFFAOYSA-N 1 0 415.335 3.725 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNC(=O)Nc3ccc(C)cc3Cl)CC2)cc1 ZINC000006785740 960942938 /nfs/dbraw/zinc/94/29/38/960942938.db2.gz UJCCPRVPNQNZFC-UHFFFAOYSA-N 1 0 416.953 3.991 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc4[nH]c(C)c(C)c4c3)CC2)cc1 ZINC000024088466 963938773 /nfs/dbraw/zinc/93/87/73/963938773.db2.gz UVZKIRZUGQEYGI-UHFFFAOYSA-N 1 0 420.557 3.735 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H](SC)[C@H]([NH+]4CCCC4)C3)ccc21 ZINC000542769331 1013672572 /nfs/dbraw/zinc/67/25/72/1013672572.db2.gz RFHBXMMYBYGNGP-FGZHOGPDSA-N 1 0 415.603 3.556 20 10 HHCDRO COc1ccc(N2CCC[N@H+](CC(=O)N[C@@H](C)c3ccc(Cl)cc3)CC2)cc1 ZINC000097476963 969143654 /nfs/dbraw/zinc/14/36/54/969143654.db2.gz BGEAMOLGHYVUSC-KRWDZBQOSA-N 1 0 401.938 3.738 20 10 HHCDRO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000141322690 970109421 /nfs/dbraw/zinc/10/94/21/970109421.db2.gz SKNKCWOFLAJMLK-IBGZPJMESA-N 1 0 410.562 3.535 20 10 HHCDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000227372832 970117697 /nfs/dbraw/zinc/11/76/97/970117697.db2.gz AOTYZQWUZGQZEW-NZQKXSOJSA-N 1 0 422.573 3.500 20 10 HHCDRO CCOc1c(OC)cc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)cc1OC ZINC000237049073 970214239 /nfs/dbraw/zinc/21/42/39/970214239.db2.gz VNCPLTOOOXHFLE-UHFFFAOYSA-N 1 0 400.519 3.870 20 10 HHCDRO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)cc1 ZINC000237551908 970312329 /nfs/dbraw/zinc/31/23/29/970312329.db2.gz ACFAJMSRMRUYLM-RBUKOAKNSA-N 1 0 403.567 3.821 20 10 HHCDRO Cc1noc(C2CCN(C(=O)Cn3c4ccccc4c4c3CC[N@@H+](C(C)C)C4)CC2)n1 ZINC000435502487 980906488 /nfs/dbraw/zinc/90/64/88/980906488.db2.gz VINZHQQNZXVUQE-UHFFFAOYSA-N 1 0 421.545 3.505 20 10 HHCDRO CNC(=O)c1ccc(C)c(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)c1 ZINC000435607747 980959636 /nfs/dbraw/zinc/95/96/36/980959636.db2.gz OQPOMABHLRENSV-UHFFFAOYSA-N 1 0 418.541 3.715 20 10 HHCDRO COc1ccc(OC)c(CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)c1 ZINC000435652986 980975352 /nfs/dbraw/zinc/97/53/52/980975352.db2.gz DWFMGOOCDPLDMC-UHFFFAOYSA-N 1 0 421.541 3.741 20 10 HHCDRO Cc1noc(C)c1C[C@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435876412 981073607 /nfs/dbraw/zinc/07/36/07/981073607.db2.gz YHMTZUJRPOCZDS-INIZCTEOSA-N 1 0 408.546 3.760 20 10 HHCDRO CC[C@H](C)n1nc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)cc1C ZINC000436024831 981163606 /nfs/dbraw/zinc/16/36/06/981163606.db2.gz UPUKHFCICZAHTG-KRWDZBQOSA-N 1 0 407.562 4.522 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(Cc2ccncc2)C2CC2)C1 ZINC000444021200 986213544 /nfs/dbraw/zinc/21/35/44/986213544.db2.gz LJLYYKWUHTYPBO-UHFFFAOYSA-N 1 0 402.542 3.994 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)C1 ZINC000444273968 986466275 /nfs/dbraw/zinc/46/62/75/986466275.db2.gz VSMLAJAWSZYGPQ-DVECYGJZSA-N 1 0 419.573 3.714 20 10 HHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000471866229 990038285 /nfs/dbraw/zinc/03/82/85/990038285.db2.gz RFNDLSVJGHLIFV-UHFFFAOYSA-N 1 0 420.557 3.961 20 10 HHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000472190579 993229937 /nfs/dbraw/zinc/22/99/37/993229937.db2.gz NJQWZBIVKZDPNL-NRFANRHFSA-N 1 0 420.557 3.577 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cc([C@@H]3CCCOC3)[nH]n2)C1 ZINC000473416230 994268731 /nfs/dbraw/zinc/26/87/31/994268731.db2.gz XWORFUVRAYVUMI-QGZVFWFLSA-N 1 0 421.545 3.664 20 10 HHCDRO COc1ccc(N2CC[NH+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000912760158 1072278675 /nfs/dbraw/zinc/27/86/75/1072278675.db2.gz INXHEZJCJMGQOS-INIZCTEOSA-N 1 0 411.329 3.564 20 10 HHCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)c2c1 ZINC000760430422 1072349986 /nfs/dbraw/zinc/34/99/86/1072349986.db2.gz ZXQJDYKRMURNBN-BTYIYWSLSA-N 1 0 416.518 3.668 20 10 HHCDRO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1ccccc1C[NH+]1CCCC1 ZINC000760973766 1074756226 /nfs/dbraw/zinc/75/62/26/1074756226.db2.gz YNCABKRRBZBYMB-UHFFFAOYSA-N 1 0 413.905 3.606 20 10 HHCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccccc2S(=O)(=O)N2CCCCC2)c1O ZINC000761197673 1075580827 /nfs/dbraw/zinc/58/08/27/1075580827.db2.gz BDEJWLAQTHHGCN-UHFFFAOYSA-N 1 0 424.950 3.519 20 10 HHCDRO CCOc1ccc(C(=O)N2CCC([NH2+]Cc3cc(Cl)cc(OC)c3O)CC2)cc1 ZINC000761197630 1075580882 /nfs/dbraw/zinc/58/08/82/1075580882.db2.gz AMPHJCUXNFVQAS-UHFFFAOYSA-N 1 0 418.921 3.847 20 10 HHCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)c1O ZINC000761214215 1075628208 /nfs/dbraw/zinc/62/82/08/1075628208.db2.gz AGGQYNQLHDDCJF-MAUKXSAKSA-N 1 0 413.276 3.908 20 10 HHCDRO COc1cc(N2CC[NH+]([C@H](C)CCc3cccc(F)c3)CC2)cc(OC)c1OC ZINC000761218753 1075636668 /nfs/dbraw/zinc/63/66/68/1075636668.db2.gz HDTQDAPMYFDYCY-QGZVFWFLSA-N 1 0 402.510 3.995 20 10 HHCDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CC[C@H](n3cc(C(=O)OC)nn3)C2)cc1 ZINC000761225700 1075664458 /nfs/dbraw/zinc/66/44/58/1075664458.db2.gz HCWFXCUQTDJLKL-QFIPXVFZSA-N 1 0 419.529 3.538 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNc3cc(OC)c([N+](=O)[O-])cc3F)cc2F)CC1 ZINC000301937581 971124892 /nfs/dbraw/zinc/12/48/92/971124892.db2.gz TVDDPLSHWFPXBX-UHFFFAOYSA-N 1 0 406.433 3.636 20 10 HHCDRO CCOc1ccccc1CCC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000303288633 971600959 /nfs/dbraw/zinc/60/09/59/971600959.db2.gz KMLCVSVZZQLKIZ-UHFFFAOYSA-N 1 0 413.537 3.615 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc4ccc(F)cc4nc3C)cc2F)CC1 ZINC000303346702 971646461 /nfs/dbraw/zinc/64/64/61/971646461.db2.gz XFVUQLVCDCSYGW-UHFFFAOYSA-N 1 0 424.495 3.893 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNc3ncnc4sc(C)c(C)c43)CC2)cc1 ZINC000007366825 961144639 /nfs/dbraw/zinc/14/46/39/961144639.db2.gz OPQRIVUPQKFSSE-UHFFFAOYSA-N 1 0 411.575 3.941 20 10 HHCDRO C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000010056336 961735041 /nfs/dbraw/zinc/73/50/41/961735041.db2.gz QXWOQVIKQLGEFA-QFIPXVFZSA-N 1 0 420.601 3.846 20 10 HHCDRO COc1ccc(N2CC[NH+](C[C@H](O)CO[C@@H](C)c3ccc(Cl)cc3)CC2)cc1 ZINC000054771881 965638580 /nfs/dbraw/zinc/63/85/80/965638580.db2.gz DLMVIEZYDUVOBC-UWJYYQICSA-N 1 0 404.938 3.609 20 10 HHCDRO C[C@@H](NC(=O)NCC1([NH+](C)C)CCCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000065698204 968596798 /nfs/dbraw/zinc/59/67/98/968596798.db2.gz RZCGCULTYWOFPN-LJQANCHMSA-N 1 0 402.583 3.538 20 10 HHCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000110150654 969629999 /nfs/dbraw/zinc/62/99/99/969629999.db2.gz BOSOEGATSNIECT-UHFFFAOYSA-N 1 0 409.574 3.977 20 10 HHCDRO Cc1cc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000195676291 969949482 /nfs/dbraw/zinc/94/94/82/969949482.db2.gz KOZWYLYXHUCPIP-UHFFFAOYSA-N 1 0 414.981 3.601 20 10 HHCDRO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000216472662 970075492 /nfs/dbraw/zinc/07/54/92/970075492.db2.gz GLGCDIHAZVCXRG-MRXNPFEDSA-N 1 0 408.951 3.747 20 10 HHCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1F ZINC000236966987 970196028 /nfs/dbraw/zinc/19/60/28/970196028.db2.gz WNBKAWWWWKOACO-UHFFFAOYSA-N 1 0 419.566 3.746 20 10 HHCDRO COc1cccc(C[NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1O ZINC000237411307 970280122 /nfs/dbraw/zinc/28/01/22/970280122.db2.gz JAIKQILLSUMKNE-KRWDZBQOSA-N 1 0 408.420 3.873 20 10 HHCDRO COc1ccc(-c2ccc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)o2)c([N+](=O)[O-])c1 ZINC000237420098 970282625 /nfs/dbraw/zinc/28/26/25/970282625.db2.gz UPZZAFKAQBSMSV-UHFFFAOYSA-N 1 0 423.469 3.990 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ncoc3-c3ccc(C)cc3)cc2F)CC1 ZINC000304046676 972580233 /nfs/dbraw/zinc/58/02/33/972580233.db2.gz OLRHROWTQMQZDK-UHFFFAOYSA-N 1 0 422.504 3.861 20 10 HHCDRO COC[C@H](NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)c1ccccc1 ZINC000435719216 981000776 /nfs/dbraw/zinc/00/07/76/981000776.db2.gz JVKSTHAAEPHGFX-QFIPXVFZSA-N 1 0 405.542 3.912 20 10 HHCDRO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435803956 981037933 /nfs/dbraw/zinc/03/79/33/981037933.db2.gz LYBWZDKPFWGRSF-KRWDZBQOSA-N 1 0 421.589 3.506 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)ccc21 ZINC000481906001 994778133 /nfs/dbraw/zinc/77/81/33/994778133.db2.gz HFADEZCQCSOOGZ-QFIPXVFZSA-N 1 0 405.542 3.909 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)ccc21 ZINC000497403438 1001341373 /nfs/dbraw/zinc/34/13/73/1001341373.db2.gz HDJIYAAXFGCXHY-PKTZIBPZSA-N 1 0 405.542 3.732 20 10 HHCDRO Cc1ccccc1[C@H](CO)NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000514837982 1006165790 /nfs/dbraw/zinc/16/57/90/1006165790.db2.gz UPPKBEVEAWEJJX-QFIPXVFZSA-N 1 0 405.542 3.566 20 10 HHCDRO CCCCn1ncc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1CC ZINC000760454882 1072361391 /nfs/dbraw/zinc/36/13/91/1072361391.db2.gz MQJGQMWIKPVKRY-GOSISDBHSA-N 1 0 418.969 3.999 20 10 HHCDRO CO[C@](C)(C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccccc1F ZINC000760454580 1072361733 /nfs/dbraw/zinc/36/17/33/1072361733.db2.gz LHVYIBBBFADPQB-VGSWGCGISA-N 1 0 420.912 3.827 20 10 HHCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c(C)s1 ZINC000760658238 1072527751 /nfs/dbraw/zinc/52/77/51/1072527751.db2.gz UFJODLCMVLHSRS-UHFFFAOYSA-N 1 0 411.550 3.910 20 10 HHCDRO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3O)C2)nn1 ZINC000760543077 1072566617 /nfs/dbraw/zinc/56/66/17/1072566617.db2.gz XFYMZGPPNTWCQR-QGZVFWFLSA-N 1 0 414.550 3.812 20 10 HHCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(OCc2ccccc2)c1 ZINC000760704910 1073232237 /nfs/dbraw/zinc/23/22/37/1073232237.db2.gz XCHPNHGMQHCKEC-SANMLTNESA-N 1 0 418.537 3.925 20 10 HHCDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(OCc2ccccc2)c1 ZINC000760704907 1073232335 /nfs/dbraw/zinc/23/23/35/1073232335.db2.gz XCHPNHGMQHCKEC-AREMUKBSSA-N 1 0 418.537 3.925 20 10 HHCDRO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000760942341 1074703420 /nfs/dbraw/zinc/70/34/20/1074703420.db2.gz FFECWLLCGFFXPB-INIZCTEOSA-N 1 0 419.934 3.708 20 10 HHCDRO CC(C)[N@H+](C)Cc1ccccc1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761004146 1075150210 /nfs/dbraw/zinc/15/02/10/1075150210.db2.gz LMHFWXFMGKKQNG-UHFFFAOYSA-N 1 0 415.921 3.850 20 10 HHCDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000761149248 1075535295 /nfs/dbraw/zinc/53/52/95/1075535295.db2.gz FIBVNINQGDJEOZ-KXBFYZLASA-N 1 0 413.905 3.645 20 10 HHCDRO COc1cc(Cl)cc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)c1O ZINC000761197994 1075579974 /nfs/dbraw/zinc/57/99/74/1075579974.db2.gz KDPKSPHHMMKMLS-UHFFFAOYSA-N 1 0 413.699 3.935 20 10 HHCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)c1O ZINC000761197772 1075580895 /nfs/dbraw/zinc/58/08/95/1075580895.db2.gz CUWDFUIKCBTDSS-SFHVURJKSA-N 1 0 411.329 3.871 20 10 HHCDRO COc1cc(Cl)cc(C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)c1O ZINC000761196215 1075585055 /nfs/dbraw/zinc/58/50/55/1075585055.db2.gz YOKILQLNNZOVHL-UHFFFAOYSA-N 1 0 400.906 3.856 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCCOc3ccccc3F)cc2F)CC1 ZINC000303342935 971644307 /nfs/dbraw/zinc/64/43/07/971644307.db2.gz WNWXAYKIQCYWEY-UHFFFAOYSA-N 1 0 417.500 3.582 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C[C@@H](C)c3cccc(F)c3)CC2)cc1 ZINC000303602315 971892469 /nfs/dbraw/zinc/89/24/69/971892469.db2.gz AOPNTJXMQQRXHM-LJQANCHMSA-N 1 0 413.537 3.656 20 10 HHCDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)[C@H](C)C1 ZINC000303726558 971979730 /nfs/dbraw/zinc/97/97/30/971979730.db2.gz SXJRNLCYEPRVRY-KOSHJBKYSA-N 1 0 422.573 3.833 20 10 HHCDRO COc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)cc(OC)c1 ZINC000048745167 964050246 /nfs/dbraw/zinc/05/02/46/964050246.db2.gz BTDOUWHENOTJFM-UHFFFAOYSA-N 1 0 410.436 3.849 20 10 HHCDRO COc1cccc([C@H](CNC(=O)NCc2ccc(N(C)C)c(F)c2)[NH+]2CCCC2)c1 ZINC000195741014 969993968 /nfs/dbraw/zinc/99/39/68/969993968.db2.gz QGXKMYJSCVBCCY-QFIPXVFZSA-N 1 0 414.525 3.537 20 10 HHCDRO CCOc1cccc(C[NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1O ZINC000236900586 970186878 /nfs/dbraw/zinc/18/68/78/970186878.db2.gz BVXHRVIDGVRADB-LJQANCHMSA-N 1 0 424.463 3.973 20 10 HHCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1F ZINC000236935980 970191171 /nfs/dbraw/zinc/19/11/71/970191171.db2.gz IRDDSIDVWDTVRP-MRXNPFEDSA-N 1 0 407.555 3.773 20 10 HHCDRO COCCOc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 ZINC000237210979 970242330 /nfs/dbraw/zinc/24/23/30/970242330.db2.gz BFEKZRMKGKTUQO-UHFFFAOYSA-N 1 0 424.463 3.857 20 10 HHCDRO COCc1nc2n(n1)C[C@H]([NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)CC2 ZINC000237278788 970254228 /nfs/dbraw/zinc/25/42/28/970254228.db2.gz SNXBOIMXERWQCS-QGZVFWFLSA-N 1 0 400.567 3.830 20 10 HHCDRO CN(C)c1ccc(CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1F ZINC000145361709 970258960 /nfs/dbraw/zinc/25/89/60/970258960.db2.gz CHWXMQQFSLSNQU-UHFFFAOYSA-N 1 0 404.555 3.665 20 10 HHCDRO Cc1nn(C)c2ncc(C[NH2+][C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc12 ZINC000237901429 970391741 /nfs/dbraw/zinc/39/17/41/970391741.db2.gz CHLMTYOCPVZFCT-MRXNPFEDSA-N 1 0 401.461 3.637 20 10 HHCDRO Cc1nn(C)c2ncc(C[NH2+][C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc12 ZINC000237903846 970391754 /nfs/dbraw/zinc/39/17/54/970391754.db2.gz CHLMTYOCPVZFCT-INIZCTEOSA-N 1 0 401.461 3.637 20 10 HHCDRO Oc1cc2c(cc1C[NH2+]Cc1cn(-c3ccccc3)nc1-c1ccncc1)OCO2 ZINC000238135283 970446575 /nfs/dbraw/zinc/44/65/75/970446575.db2.gz VDAJHTSLGMFOEG-UHFFFAOYSA-N 1 0 400.438 3.658 20 10 HHCDRO COCCN(Cc1ccco1)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435627944 980966505 /nfs/dbraw/zinc/96/65/05/980966505.db2.gz OOMCXDLOISXBDV-UHFFFAOYSA-N 1 0 409.530 3.676 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCn3c4ccccc4nc32)C1 ZINC000435632815 980968077 /nfs/dbraw/zinc/96/80/77/980968077.db2.gz SMZUKJDKVPBYGR-UHFFFAOYSA-N 1 0 413.525 3.804 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000435905923 981085673 /nfs/dbraw/zinc/08/56/73/981085673.db2.gz DAXTYQLNPGSODM-UKDVSSAZSA-N 1 0 421.585 3.872 20 10 HHCDRO COC(=O)c1cccc(F)c1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000436010848 981152945 /nfs/dbraw/zinc/15/29/45/981152945.db2.gz ZAWKSNGMIYQKNO-UHFFFAOYSA-N 1 0 423.488 3.972 20 10 HHCDRO CC[C@@H](C)n1nc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)cc1C ZINC000436024832 981163672 /nfs/dbraw/zinc/16/36/72/981163672.db2.gz UPUKHFCICZAHTG-QGZVFWFLSA-N 1 0 407.562 4.522 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCSCC(F)(F)F)C1 ZINC000436037162 981172880 /nfs/dbraw/zinc/17/28/80/981172880.db2.gz INSSQDYYOBHSOT-UHFFFAOYSA-N 1 0 413.509 3.820 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC(=O)Nc3c(F)cccc32)C1 ZINC000436047271 981178341 /nfs/dbraw/zinc/17/83/41/981178341.db2.gz DQCYGOUEIWQYMM-UHFFFAOYSA-N 1 0 420.488 3.532 20 10 HHCDRO CCC[NH+]1CCC(CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CC1 ZINC000444142203 986329287 /nfs/dbraw/zinc/32/92/87/986329287.db2.gz KHMRCSGEICUHGS-UHFFFAOYSA-N 1 0 410.606 3.646 20 10 HHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000472035761 990207635 /nfs/dbraw/zinc/20/76/35/990207635.db2.gz UXFAGQCLORWMOF-SFHVURJKSA-N 1 0 405.546 3.907 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)NCc3cccc(OCC[NH+](C)C)c3)ccc21 ZINC000486472889 998785192 /nfs/dbraw/zinc/78/51/92/998785192.db2.gz MHUGYIAAUSVLED-UHFFFAOYSA-N 1 0 423.557 3.775 20 10 HHCDRO Cc1nnc([C@@H]2CCCCN2C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)[nH]1 ZINC000513939459 1005196153 /nfs/dbraw/zinc/19/61/53/1005196153.db2.gz FNPHFNBDKDWDNT-QFIPXVFZSA-N 1 0 420.561 3.588 20 10 HHCDRO C[NH+](C)Cc1cc(-c2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)ccc1F ZINC000545030089 1010567581 /nfs/dbraw/zinc/56/75/81/1010567581.db2.gz OKLAIXYFYLVDAJ-UHFFFAOYSA-N 1 0 422.485 3.820 20 10 HHCDRO CC[C@@H](NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C(=O)OC(C)(C)C ZINC001127020246 1072023269 /nfs/dbraw/zinc/02/32/69/1072023269.db2.gz XGBQVXIWUPGNFI-LJQANCHMSA-N 1 0 413.562 3.644 20 10 HHCDRO COc1cc(/C=C/c2nc(-c3ncccc3/C=C/[NH+]3CCCC3)no2)cc(O)c1O ZINC001212152322 1073116140 /nfs/dbraw/zinc/11/61/40/1073116140.db2.gz KUCHNNOEXAQAGC-ZYUHXDNHSA-N 1 0 406.442 3.788 20 10 HHCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3cc(F)ccc3Br)SC2=S)CC1 ZINC000761180191 1075565729 /nfs/dbraw/zinc/56/57/29/1075565729.db2.gz JCBVMJJKQWINGX-NTEUORMPSA-N 1 0 415.353 3.884 20 10 HHCDRO COc1ccccc1NC(=O)C1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000761192379 1075577350 /nfs/dbraw/zinc/57/73/50/1075577350.db2.gz MJINNLOBQQVZMR-UHFFFAOYSA-N 1 0 404.894 3.914 20 10 HHCDRO COc1cc(Cl)cc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1O ZINC000761191850 1075579314 /nfs/dbraw/zinc/57/93/14/1075579314.db2.gz CTWRAODQHUOFAF-UHFFFAOYSA-N 1 0 410.301 3.953 20 10 HHCDRO COc1cc(Cl)cc(C[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)c1O ZINC000761198479 1075581732 /nfs/dbraw/zinc/58/17/32/1075581732.db2.gz QARNHSUNCBCABN-UHFFFAOYSA-N 1 0 400.862 3.867 20 10 HHCDRO COc1cc(Cl)cc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)c1O ZINC000761196218 1075585083 /nfs/dbraw/zinc/58/50/83/1075585083.db2.gz YSQPVRHAUVNJFF-UHFFFAOYSA-N 1 0 408.951 3.687 20 10 HHCDRO COc1cc(Br)cc(C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)c1O ZINC000761226011 1075663716 /nfs/dbraw/zinc/66/37/16/1075663716.db2.gz MDLDEXHWHBXKEW-GOSISDBHSA-N 1 0 406.320 3.936 20 10 HHCDRO COc1ccc2[nH]cc(C3CC[NH+](CC(=O)NCc4ccc(N(C)C)cc4)CC3)c2c1 ZINC000302991594 971440155 /nfs/dbraw/zinc/44/01/55/971440155.db2.gz JNKOTTCPPZYRFB-UHFFFAOYSA-N 1 0 420.557 3.738 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3nc(Cl)ccc3Cl)cc2F)CC1 ZINC000303277865 971594054 /nfs/dbraw/zinc/59/40/54/971594054.db2.gz HUGZJUNSALCRAU-UHFFFAOYSA-N 1 0 411.308 3.599 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](C)Oc3cccc(Cl)c3)cc2F)CC1 ZINC000303302267 971613035 /nfs/dbraw/zinc/61/30/35/971613035.db2.gz NAYXEPZMFKMHCG-INIZCTEOSA-N 1 0 419.928 3.705 20 10 HHCDRO Cc1cc(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c(C)n1-c1cccc(C(C)C)c1 ZINC000303583571 971875814 /nfs/dbraw/zinc/87/58/14/971875814.db2.gz RUYUCVDZCZJTPA-IBGZPJMESA-N 1 0 410.606 3.831 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000011853422 962202459 /nfs/dbraw/zinc/20/24/59/962202459.db2.gz VPTVPDSLIJHWHR-UHFFFAOYSA-N 1 0 422.356 3.944 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1 ZINC000024088736 963938685 /nfs/dbraw/zinc/93/86/85/963938685.db2.gz NPJZZUHOUQTRIV-UHFFFAOYSA-N 1 0 422.356 3.944 20 10 HHCDRO Cc1cc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000110443376 969668891 /nfs/dbraw/zinc/66/88/91/969668891.db2.gz KTTVONKQNITQPB-OAQYLSRUSA-N 1 0 424.589 3.535 20 10 HHCDRO C[N@H+](CCCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CCCCC1 ZINC000195642161 969928351 /nfs/dbraw/zinc/92/83/51/969928351.db2.gz JWWLXFZROZKNBP-OAQYLSRUSA-N 1 0 403.567 3.737 20 10 HHCDRO C[C@H](NC(=O)NCC1([NH+](C)C)CCCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000139940603 970054309 /nfs/dbraw/zinc/05/43/09/970054309.db2.gz RZCGCULTYWOFPN-IBGZPJMESA-N 1 0 402.583 3.538 20 10 HHCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1 ZINC000237074117 970218301 /nfs/dbraw/zinc/21/83/01/970218301.db2.gz KBKSLUQLNGUTDU-HXUWFJFHSA-N 1 0 424.463 3.973 20 10 HHCDRO COc1cc(C[NH2+]Cc2ccc(N(C)C)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237319391 970261963 /nfs/dbraw/zinc/26/19/63/970261963.db2.gz JGFQYARHCXROOS-UHFFFAOYSA-N 1 0 413.396 3.900 20 10 HHCDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000237540414 970309393 /nfs/dbraw/zinc/30/93/93/970309393.db2.gz MFDVJEGDVBDEDT-SFHVURJKSA-N 1 0 401.576 3.778 20 10 HHCDRO Cc1cc(O)c(C[NH2+]Cc2cccnc2Oc2cccc(S(C)(=O)=O)c2)cc1C ZINC000237862007 970384777 /nfs/dbraw/zinc/38/47/77/970384777.db2.gz NEJHZEIWHMVULR-UHFFFAOYSA-N 1 0 412.511 3.890 20 10 HHCDRO O=C1CCCN1C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cccc(C(F)(F)F)c1 ZINC000238136390 970448138 /nfs/dbraw/zinc/44/81/38/970448138.db2.gz ARZXCHYNCFNDJQ-INIZCTEOSA-N 1 0 422.403 3.593 20 10 HHCDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000248134254 970513019 /nfs/dbraw/zinc/51/30/19/970513019.db2.gz REUCIVINWJCBMZ-UHFFFAOYSA-N 1 0 408.590 3.833 20 10 HHCDRO Cc1ccc(C)n1-c1ccc(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)cc1 ZINC000303961136 972545673 /nfs/dbraw/zinc/54/56/73/972545673.db2.gz NLBQJKVZQTXFFS-UHFFFAOYSA-N 1 0 408.590 3.774 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C1 ZINC000435663715 980977997 /nfs/dbraw/zinc/97/79/97/980977997.db2.gz OZWFEPYZDSDUQB-UHFFFAOYSA-N 1 0 418.541 3.748 20 10 HHCDRO COC[C@H](NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)c1ccc(C)o1 ZINC000435809461 981040156 /nfs/dbraw/zinc/04/01/56/981040156.db2.gz MQEMUFQNWOAGEI-FQEVSTJZSA-N 1 0 409.530 3.813 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc3c(c2)ncn3C)C1 ZINC000435822153 981045957 /nfs/dbraw/zinc/04/59/57/981045957.db2.gz MUWZAYMYCNDUDZ-UHFFFAOYSA-N 1 0 401.514 3.933 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCSc3ncccc32)C1 ZINC000435824918 981047592 /nfs/dbraw/zinc/04/75/92/981047592.db2.gz GOXDTKVOKHOHRP-UHFFFAOYSA-N 1 0 406.555 3.942 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc([S@](C)=O)c2)C1 ZINC000435876239 981072895 /nfs/dbraw/zinc/07/28/95/981072895.db2.gz HOEZPTAWTJHURP-LJAQVGFWSA-N 1 0 409.555 3.784 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@]2(C)CCO[C@H]2C2CC2)C1 ZINC000436004153 981146945 /nfs/dbraw/zinc/14/69/45/981146945.db2.gz JJLWAHXWNGNLMC-DQEYMECFSA-N 1 0 409.574 3.729 20 10 HHCDRO Cc1ccnc([C@H](NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C2CC2)n1 ZINC000444326659 986506313 /nfs/dbraw/zinc/50/63/13/986506313.db2.gz PHSVCZGIUXYDLW-XMMPIXPASA-N 1 0 417.557 3.774 20 10 HHCDRO COCC[N@H+](C)CCCC1CCN(C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000472227684 993257623 /nfs/dbraw/zinc/25/76/23/993257623.db2.gz ZXGUETAXNIQAPZ-UHFFFAOYSA-N 1 0 414.594 3.767 20 10 HHCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000472783478 993723154 /nfs/dbraw/zinc/72/31/54/993723154.db2.gz GDDUAJMSAZWDAN-UHFFFAOYSA-N 1 0 418.541 3.728 20 10 HHCDRO Cc1cc(-c2nc(-c3ccc(C[NH+](C)C)cc3)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000536205077 1011350398 /nfs/dbraw/zinc/35/03/98/1011350398.db2.gz PPRJZHDEMOBHIF-UHFFFAOYSA-N 1 0 418.522 3.990 20 10 HHCDRO COC(=O)c1coc(-c2noc(Cn3c4ccccc4c4c3CC[N@H+](C(C)C)C4)n2)c1 ZINC000904952869 1071951025 /nfs/dbraw/zinc/95/10/25/1071951025.db2.gz WRNVLFDGPKRQMP-UHFFFAOYSA-N 1 0 420.469 3.886 20 10 HHCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)c1 ZINC000913144437 1072340889 /nfs/dbraw/zinc/34/08/89/1072340889.db2.gz SAJGQRKWJHNLRM-UHFFFAOYSA-N 1 0 400.494 3.883 20 10 HHCDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)ccc1N1CCCCC1 ZINC000913170417 1072343661 /nfs/dbraw/zinc/34/36/61/1072343661.db2.gz ZRYRHJCCJSFRDS-DEOSSOPVSA-N 1 0 424.545 3.748 20 10 HHCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3cc(F)cc4cccnc43)CC2)cc1 ZINC000760659595 1072532750 /nfs/dbraw/zinc/53/27/50/1072532750.db2.gz XPZRFGSNOUYJDO-UHFFFAOYSA-N 1 0 408.521 3.684 20 10 HHCDRO c1cncc(COc2ccc(N3CCN(C4CC[NH+](CC5CC5)CC4)CC3)cc2)c1 ZINC001168396429 1073445652 /nfs/dbraw/zinc/44/56/52/1073445652.db2.gz FYCSUKKUEZXNJL-UHFFFAOYSA-N 1 0 406.574 3.657 20 10 HHCDRO CC(C)[C@@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)[NH+]1CCC(C)CC1 ZINC000761003884 1075150235 /nfs/dbraw/zinc/15/02/35/1075150235.db2.gz JUXUEVBLVVJLHS-GOSISDBHSA-N 1 0 407.942 3.566 20 10 HHCDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000761152365 1075540107 /nfs/dbraw/zinc/54/01/07/1075540107.db2.gz ZACBLRXFQWXCDF-GJZGRUSLSA-N 1 0 407.942 3.566 20 10 HHCDRO COc1cc(Cl)cc(C[NH2+]CC(=O)Nc2ccc(Br)cc2C)c1O ZINC000761198747 1075581494 /nfs/dbraw/zinc/58/14/94/1075581494.db2.gz SZQIMEQEWQTVEX-UHFFFAOYSA-N 1 0 413.699 3.853 20 10 HHCDRO CCCOc1cccc(C[NH+]2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c1 ZINC000761219343 1075643808 /nfs/dbraw/zinc/64/38/08/1075643808.db2.gz NVKMSRJJBSEWRC-UHFFFAOYSA-N 1 0 400.519 3.823 20 10 HHCDRO Cc1ccc(OCCC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c(C)c1 ZINC001127181278 1075674947 /nfs/dbraw/zinc/67/49/47/1075674947.db2.gz FFHNJXDCYNGLDA-UHFFFAOYSA-N 1 0 421.585 3.921 20 10 HHCDRO CCNC(=O)CN1CCCN(C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)CC1 ZINC000303034368 971468584 /nfs/dbraw/zinc/46/85/84/971468584.db2.gz RONIDTONJVPAEL-UHFFFAOYSA-N 1 0 424.589 3.502 20 10 HHCDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)CC1 ZINC000303632714 971913097 /nfs/dbraw/zinc/91/30/97/971913097.db2.gz UGSBFHZMURIZCU-FQEVSTJZSA-N 1 0 410.606 3.973 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C[C@H](C)c3cccc(F)c3)cc2F)CC1 ZINC000303738950 971993294 /nfs/dbraw/zinc/99/32/94/971993294.db2.gz XSRXLRSZUDEYLB-KRWDZBQOSA-N 1 0 401.501 3.917 20 10 HHCDRO COCCC[N@H+](C)CCNC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000303919599 972494175 /nfs/dbraw/zinc/49/41/75/972494175.db2.gz NYGPBTDAHRYNDW-UHFFFAOYSA-N 1 0 422.367 3.555 20 10 HHCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c(C)c1 ZINC000139821610 970048670 /nfs/dbraw/zinc/04/86/70/970048670.db2.gz QXIJMXHHDYJCLP-UHFFFAOYSA-N 1 0 405.521 3.849 20 10 HHCDRO CC(C)(C)c1cc(C[NH2+]C2CCN(CCS(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000236778179 970171636 /nfs/dbraw/zinc/17/16/36/970171636.db2.gz HVZAPYSZWTWEOD-UHFFFAOYSA-N 1 0 424.651 3.586 20 10 HHCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccccc2S(=O)(=O)NC(C)(C)C)cc1 ZINC000236929366 970190282 /nfs/dbraw/zinc/19/02/82/970190282.db2.gz QVHAHAWUMQUQLA-UHFFFAOYSA-N 1 0 403.592 3.899 20 10 HHCDRO CCOc1cccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)c1O ZINC000236962289 970195960 /nfs/dbraw/zinc/19/59/60/970195960.db2.gz SEHSSZGZVBPLBA-MRXNPFEDSA-N 1 0 406.548 3.672 20 10 HHCDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000237025769 970208680 /nfs/dbraw/zinc/20/86/80/970208680.db2.gz RDCUNIJUWGNPJP-UHFFFAOYSA-N 1 0 415.603 3.997 20 10 HHCDRO CCS(=O)(=O)N1CCC([NH2+]Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1 ZINC000237030064 970210716 /nfs/dbraw/zinc/21/07/16/970210716.db2.gz MEHWSXCTJMFKNO-UHFFFAOYSA-N 1 0 410.624 3.891 20 10 HHCDRO CN(C)c1ccc(C[NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1 ZINC000237125310 970227279 /nfs/dbraw/zinc/22/72/79/970227279.db2.gz FXMSNYOBUYLWQA-NRFANRHFSA-N 1 0 407.480 3.935 20 10 HHCDRO COc1ccc([C@@H]([NH2+]Cc2cc(C)ccc2O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237265945 970250832 /nfs/dbraw/zinc/25/08/32/970250832.db2.gz WQMVBEPDVPMPNQ-HSZRJFAPSA-N 1 0 411.523 3.992 20 10 HHCDRO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2ccccc2O)c2ccc(F)c(F)c2)c1 ZINC000237470314 970294801 /nfs/dbraw/zinc/29/48/01/970294801.db2.gz HFGODQOVGASQFA-OAQYLSRUSA-N 1 0 403.450 3.953 20 10 HHCDRO Cc1cccn2c(C[NH2+]Cc3ccc(N4CCOCC4)cc3C(F)(F)F)cnc12 ZINC000237845532 970379512 /nfs/dbraw/zinc/37/95/12/970379512.db2.gz DZUVMFGFYQGFQQ-UHFFFAOYSA-N 1 0 404.436 3.788 20 10 HHCDRO CCN(CC)c1ccc(CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000195564041 970515429 /nfs/dbraw/zinc/51/54/29/970515429.db2.gz BNBXIDGOWREJPX-UHFFFAOYSA-N 1 0 404.624 3.694 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCOc3ccc(F)cc3C2)C1 ZINC000428469144 975769763 /nfs/dbraw/zinc/76/97/63/975769763.db2.gz SDODTAYGISGJOJ-UHFFFAOYSA-N 1 0 421.516 3.968 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)CC(=O)Nc2ccccc2)C1 ZINC000435522612 980918101 /nfs/dbraw/zinc/91/81/01/980918101.db2.gz OJDHWTKASSUINB-UHFFFAOYSA-N 1 0 418.541 3.505 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2nnc(C(F)F)s2)C1 ZINC000435527079 980921091 /nfs/dbraw/zinc/92/10/91/980921091.db2.gz QBUHGBFEJFCRHW-UHFFFAOYSA-N 1 0 405.474 3.836 20 10 HHCDRO CC(=O)Nc1cccc(CNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)c1 ZINC000435551820 980937371 /nfs/dbraw/zinc/93/73/71/980937371.db2.gz OHYMGKLZLLQCEU-UHFFFAOYSA-N 1 0 418.541 3.683 20 10 HHCDRO COC(=O)c1ccc(F)c(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)c1 ZINC000435639082 980970970 /nfs/dbraw/zinc/97/09/70/980970970.db2.gz VFFMWIYHORBFEJ-UHFFFAOYSA-N 1 0 423.488 3.972 20 10 HHCDRO Cc1noc(C)c1C[C@@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435876424 981073478 /nfs/dbraw/zinc/07/34/78/981073478.db2.gz YHMTZUJRPOCZDS-MRXNPFEDSA-N 1 0 408.546 3.760 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cn(C)nc2C(F)(F)F)C1 ZINC000435911971 981089039 /nfs/dbraw/zinc/08/90/39/981089039.db2.gz RLNBSVXDYCCXEY-UHFFFAOYSA-N 1 0 419.451 3.799 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@]2(C)CCO[C@@H]2C2CC2)C1 ZINC000436004154 981146958 /nfs/dbraw/zinc/14/69/58/981146958.db2.gz JJLWAHXWNGNLMC-JWQCQUIFSA-N 1 0 409.574 3.729 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC3(CCOCC3)[C@@H]2C)C1 ZINC000436022124 981161580 /nfs/dbraw/zinc/16/15/80/981161580.db2.gz AOCALEDZHLRBFJ-IBGZPJMESA-N 1 0 409.574 3.825 20 10 HHCDRO COCC[C@@H](NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)c1ccco1 ZINC000436036980 981172762 /nfs/dbraw/zinc/17/27/62/981172762.db2.gz JGXMLRIEFHVSCZ-HXUWFJFHSA-N 1 0 409.530 3.895 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)C1 ZINC000461306129 983004734 /nfs/dbraw/zinc/00/47/34/983004734.db2.gz PLMIOZKGTFGWQE-ZCYQVOJMSA-N 1 0 421.585 3.968 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(Cc2cccnc2)C2CC2)C1 ZINC000443911659 986110747 /nfs/dbraw/zinc/11/07/47/986110747.db2.gz YPYIAKBVNQKEPU-UHFFFAOYSA-N 1 0 402.542 3.994 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCCC[C@H]2c2ncon2)C1 ZINC000444369312 986546604 /nfs/dbraw/zinc/54/66/04/986546604.db2.gz QYKUSKIOKKSKAP-QFIPXVFZSA-N 1 0 421.545 3.935 20 10 HHCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000472228016 993257387 /nfs/dbraw/zinc/25/73/87/993257387.db2.gz CCFSWVYQKUXLIY-UHFFFAOYSA-N 1 0 412.578 3.521 20 10 HHCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)ccc1F ZINC000729677965 1071794300 /nfs/dbraw/zinc/79/43/00/1071794300.db2.gz KNQKCZYNTZFVLX-UHFFFAOYSA-N 1 0 409.484 3.680 20 10 HHCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)c2c1 ZINC000760430430 1072349867 /nfs/dbraw/zinc/34/98/67/1072349867.db2.gz ZXQJDYKRMURNBN-VFNWGFHPSA-N 1 0 416.518 3.668 20 10 HHCDRO CO[C@](C)(C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccccc1F ZINC000760454576 1072361844 /nfs/dbraw/zinc/36/18/44/1072361844.db2.gz LHVYIBBBFADPQB-JTSKRJEESA-N 1 0 420.912 3.827 20 10 HHCDRO CO[C@@](C)(C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccccc1F ZINC000760454578 1072361879 /nfs/dbraw/zinc/36/18/79/1072361879.db2.gz LHVYIBBBFADPQB-VGOFRKELSA-N 1 0 420.912 3.827 20 10 HHCDRO NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000760580643 1072712404 /nfs/dbraw/zinc/71/24/04/1072712404.db2.gz SCLXNDXRLYOAAE-LPHOPBHVSA-N 1 0 423.891 3.596 20 10 HHCDRO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000760928278 1074694488 /nfs/dbraw/zinc/69/44/88/1074694488.db2.gz MFZCKBSDYQCYGU-QGZVFWFLSA-N 1 0 417.893 3.630 20 10 HHCDRO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000761030794 1075209789 /nfs/dbraw/zinc/20/97/89/1075209789.db2.gz OLFDEQIGPPNPOZ-IBGZPJMESA-N 1 0 413.905 3.647 20 10 HHCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1O ZINC000761198152 1075581751 /nfs/dbraw/zinc/58/17/51/1075581751.db2.gz MZNRWZIYBAEBRC-GJZGRUSLSA-N 1 0 418.921 3.593 20 10 HHCDRO CC(C)(C)c1ncc(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)s1 ZINC001127182193 1075704054 /nfs/dbraw/zinc/70/40/54/1075704054.db2.gz SUQSPXBLUOCJGL-UHFFFAOYSA-N 1 0 412.603 3.903 20 10 HHCDRO COc1cc([N+](=O)[O-])c(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1OC ZINC000301911535 971111553 /nfs/dbraw/zinc/11/15/53/971111553.db2.gz GPGUCPPGGLUXEZ-UHFFFAOYSA-N 1 0 405.882 3.978 20 10 HHCDRO CC(C)(C)c1nnc2ccc(NCc3ccc(N4CC[NH+](CC5CC5)CC4)cc3)nn21 ZINC000302413006 971235552 /nfs/dbraw/zinc/23/55/52/971235552.db2.gz IOVDNPKIFMOHDC-UHFFFAOYSA-N 1 0 419.577 3.566 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)COc3cccc(C(C)C)c3)cc2F)CC1 ZINC000303293463 971605288 /nfs/dbraw/zinc/60/52/88/971605288.db2.gz LJZIHJYVSVQBIW-UHFFFAOYSA-N 1 0 413.537 3.786 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cccnc3SC(F)F)cc2F)CC1 ZINC000303350393 971649632 /nfs/dbraw/zinc/64/96/32/971649632.db2.gz YEQBTDOAAKHLFM-UHFFFAOYSA-N 1 0 424.492 3.607 20 10 HHCDRO Cc1ccc(CN(C(=O)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C2CC2)cc1 ZINC000303450310 971748374 /nfs/dbraw/zinc/74/83/74/971748374.db2.gz IFOZVNWXVALLRP-QHCPKHFHSA-N 1 0 408.542 3.873 20 10 HHCDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)[C@@H](C)C1 ZINC000303726560 971979762 /nfs/dbraw/zinc/97/97/62/971979762.db2.gz SXJRNLCYEPRVRY-MHECFPHRSA-N 1 0 422.573 3.833 20 10 HHCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CO[C@@H](C)c3ccc(Cl)cc3)CC2)cc1 ZINC000054771879 965638137 /nfs/dbraw/zinc/63/81/37/965638137.db2.gz DLMVIEZYDUVOBC-LAUBAEHRSA-N 1 0 404.938 3.609 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H]([NH+]4CCCC4)[C@@H](SC)C3)ccc21 ZINC000542769339 1013672631 /nfs/dbraw/zinc/67/26/31/1013672631.db2.gz RFHBXMMYBYGNGP-YADHBBJMSA-N 1 0 415.603 3.556 20 10 HHCDRO CCc1cc2c(C[N@@H+]3CCCN(c4ccc(OC)cc4)CC3)cc(=O)oc2cc1O ZINC000097494620 969147409 /nfs/dbraw/zinc/14/74/09/969147409.db2.gz CCLRNEZVUIWRTH-UHFFFAOYSA-N 1 0 408.498 3.782 20 10 HHCDRO COc1ccc(N2CCC(NC(=O)NC3CC[NH+](CC4CCCC4)CC3)CC2)cc1 ZINC000110466417 969673026 /nfs/dbraw/zinc/67/30/26/969673026.db2.gz QZTAEERQKVTLOF-UHFFFAOYSA-N 1 0 414.594 3.618 20 10 HHCDRO COc1ccc(CCC2CC[NH+](CC(=O)NCc3ccc(N(C)C)cc3)CC2)cc1 ZINC000115370928 969837729 /nfs/dbraw/zinc/83/77/29/969837729.db2.gz NROWEJGKCZFVJK-UHFFFAOYSA-N 1 0 409.574 3.722 20 10 HHCDRO CCc1ccc(C[NH2+]Cc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 ZINC000139818756 970047792 /nfs/dbraw/zinc/04/77/92/970047792.db2.gz WSVGCOJAQAUONE-UHFFFAOYSA-N 1 0 405.521 3.795 20 10 HHCDRO C[C@H](c1ccccc1)[N@H+](CC(=O)Nc1ccccc1C(N)=O)Cc1ccccc1O ZINC000216479833 970075529 /nfs/dbraw/zinc/07/55/29/970075529.db2.gz AVEPRVPSLVRTIT-QGZVFWFLSA-N 1 0 403.482 3.693 20 10 HHCDRO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000216472609 970075738 /nfs/dbraw/zinc/07/57/38/970075738.db2.gz GLGCDIHAZVCXRG-INIZCTEOSA-N 1 0 408.951 3.747 20 10 HHCDRO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)cc1 ZINC000237434464 970285715 /nfs/dbraw/zinc/28/57/15/970285715.db2.gz ACFAJMSRMRUYLM-RTBURBONSA-N 1 0 403.567 3.821 20 10 HHCDRO COc1ccc(C[NH2+]Cc2cccnc2Oc2cccc(S(C)(=O)=O)c2)cc1C ZINC000237448631 970291011 /nfs/dbraw/zinc/29/10/11/970291011.db2.gz JSFJTXKGPJFLRW-UHFFFAOYSA-N 1 0 412.511 3.884 20 10 HHCDRO FC(F)(F)c1ccc([C@H](C[NH2+]Cc2ccc3c(c2)CCO3)N2CCOCC2)cc1 ZINC000237728083 970348525 /nfs/dbraw/zinc/34/85/25/970348525.db2.gz ZTYSMCYURUTBBN-FQEVSTJZSA-N 1 0 406.448 3.803 20 10 HHCDRO CN(C)c1ccc(CN(C)C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000149028099 970380219 /nfs/dbraw/zinc/38/02/19/970380219.db2.gz XQPOGZYSCGXEMZ-LJQANCHMSA-N 1 0 400.592 3.868 20 10 HHCDRO Cc1ccn(C2CCN(C(=O)Cn3c4ccccc4c4c3CC[N@@H+](C(C)C)C4)CC2)n1 ZINC000434025316 979766880 /nfs/dbraw/zinc/76/68/80/979766880.db2.gz MNTBVWCDMMOHNT-UHFFFAOYSA-N 1 0 419.573 3.776 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(Cc2ccccn2)C2CC2)C1 ZINC000435634458 980968629 /nfs/dbraw/zinc/96/86/29/980968629.db2.gz BYJQCYZBKHOYHU-UHFFFAOYSA-N 1 0 402.542 3.994 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC(=O)Nc3ccccc32)C1 ZINC000435861957 981064575 /nfs/dbraw/zinc/06/45/75/981064575.db2.gz LLDDCIFJJBJUFY-UHFFFAOYSA-N 1 0 416.525 3.783 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCc2ccc3c(c2)CCO3)C1 ZINC000435865719 981065973 /nfs/dbraw/zinc/06/59/73/981065973.db2.gz CSRZFFFYQSAFOU-UHFFFAOYSA-N 1 0 417.553 3.702 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC(c3cn[nH]c3)CC2)C1 ZINC000444252568 986447659 /nfs/dbraw/zinc/44/76/59/986447659.db2.gz XJKJQGSGXYHMLO-UHFFFAOYSA-N 1 0 405.546 3.537 20 10 HHCDRO COc1cnccc1[C@@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000444281388 986470827 /nfs/dbraw/zinc/47/08/27/986470827.db2.gz LZGPFACEEAUZIF-QGZVFWFLSA-N 1 0 406.530 3.689 20 10 HHCDRO Fc1ccc(C2([NH2+]Cc3ccc(N4CCOCC4)c(F)c3)CCOCC2)c(F)c1 ZINC000760458255 1072365021 /nfs/dbraw/zinc/36/50/21/1072365021.db2.gz NMGJAXZTJSYUAR-UHFFFAOYSA-N 1 0 406.448 3.736 20 10 HHCDRO Cc1cc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C)n1-c1ccccn1 ZINC000760564384 1072594079 /nfs/dbraw/zinc/59/40/79/1072594079.db2.gz ZQZZHPGZXJRYCI-QFIPXVFZSA-N 1 0 418.541 3.510 20 10 HHCDRO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000760575846 1072630674 /nfs/dbraw/zinc/63/06/74/1072630674.db2.gz JUGBVUSVSOXVCP-LJQANCHMSA-N 1 0 423.891 3.596 20 10 HHCDRO COc1cc(Cl)cc(C[NH+]2CCC(n3cc(Br)cn3)CC2)c1O ZINC000761197373 1075580924 /nfs/dbraw/zinc/58/09/24/1075580924.db2.gz CXTIDCMCDNYUCC-UHFFFAOYSA-N 1 0 400.704 3.850 20 10 HHCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000302897313 971378880 /nfs/dbraw/zinc/37/88/80/971378880.db2.gz MEXOKFOEFFDTQS-DEOSSOPVSA-N 1 0 422.573 3.502 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccccc3Br)cc2F)CC1 ZINC000303323611 971629858 /nfs/dbraw/zinc/62/98/58/971629858.db2.gz RWHTXKQJKOPSAY-UHFFFAOYSA-N 1 0 420.326 3.660 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(C)(C)c3ccccc3F)cc2F)CC1 ZINC000303345167 971645857 /nfs/dbraw/zinc/64/58/57/971645857.db2.gz WXJMUVTTXWESFD-UHFFFAOYSA-N 1 0 401.501 3.701 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC34CC5CC(CC(C5)C3)C4)cc2F)CC1 ZINC000303347489 971647149 /nfs/dbraw/zinc/64/71/49/971647149.db2.gz XNPDLLHXUMLHCT-UHFFFAOYSA-N 1 0 414.569 3.736 20 10 HHCDRO O=C(C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)N1CCC(Cc2ccccc2)CC1 ZINC000096970962 969068675 /nfs/dbraw/zinc/06/86/75/969068675.db2.gz HWIPRXRMSFLDAI-XMMPIXPASA-N 1 0 422.569 3.855 20 10 HHCDRO COc1ccc([C@@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)N2CCOCC2)cc1 ZINC000104864306 969208661 /nfs/dbraw/zinc/20/86/61/969208661.db2.gz OWJPZVHBHWCFOK-RUZDIDTESA-N 1 0 409.574 3.849 20 10 HHCDRO COc1ccc(N2CCC[N@H+](C[C@H](O)CO[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000108105250 969357759 /nfs/dbraw/zinc/35/77/59/969357759.db2.gz WZQRWECBTLQWEA-WIOPSUGQSA-N 1 0 410.558 3.662 20 10 HHCDRO COc1ccc(CC2CC[NH+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)cc1 ZINC000116475251 969898265 /nfs/dbraw/zinc/89/82/65/969898265.db2.gz IDGHFGJFHVMVGQ-UHFFFAOYSA-N 1 0 409.574 3.674 20 10 HHCDRO C[N@H+](CCCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CCCCC1 ZINC000195642159 969928334 /nfs/dbraw/zinc/92/83/34/969928334.db2.gz JWWLXFZROZKNBP-NRFANRHFSA-N 1 0 403.567 3.737 20 10 HHCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1OCc1cccnc1 ZINC000139987223 970058022 /nfs/dbraw/zinc/05/80/22/970058022.db2.gz OITAQYVWESPFTG-UHFFFAOYSA-N 1 0 419.525 3.796 20 10 HHCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1 ZINC000236928040 970190181 /nfs/dbraw/zinc/19/01/81/970190181.db2.gz VINJIPUMRBWIKE-UHFFFAOYSA-N 1 0 403.592 3.852 20 10 HHCDRO CCOc1ccc(O)c(C[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)c1 ZINC000237083070 970219344 /nfs/dbraw/zinc/21/93/44/970219344.db2.gz VASZGEBBZULIRA-UHFFFAOYSA-N 1 0 406.486 3.797 20 10 HHCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1C#N ZINC000237472315 970294539 /nfs/dbraw/zinc/29/45/39/970294539.db2.gz LMXFDEDCUMRABQ-UHFFFAOYSA-N 1 0 405.420 3.712 20 10 HHCDRO Oc1cc2c(cc1C[NH2+]CC1(c3cccc(C(F)(F)F)c3)CCOCC1)OCO2 ZINC000238124705 970444852 /nfs/dbraw/zinc/44/48/52/970444852.db2.gz SQZXWZMWWQYDDH-UHFFFAOYSA-N 1 0 409.404 3.978 20 10 HHCDRO Oc1cc2c(cc1C[NH2+]C1CCN(Cc3cccc(C(F)(F)F)c3)CC1)OCO2 ZINC000238123612 970444868 /nfs/dbraw/zinc/44/48/68/970444868.db2.gz VXCBYTCFXZKWBY-UHFFFAOYSA-N 1 0 408.420 3.894 20 10 HHCDRO CCc1nn(C)cc1-c1noc(Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)n1 ZINC000426623277 974568815 /nfs/dbraw/zinc/56/88/15/974568815.db2.gz MHFHXQVPBJDERW-UHFFFAOYSA-N 1 0 404.518 3.802 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCC3(CCOCC3)C2)C1 ZINC000428197299 975523321 /nfs/dbraw/zinc/52/33/21/975523321.db2.gz VRQKRCIRWSGZFG-UHFFFAOYSA-N 1 0 409.574 3.827 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(Cl)c(C(N)=O)c2)C1 ZINC000435627356 980966572 /nfs/dbraw/zinc/96/65/72/980966572.db2.gz QXJPBECWBGPFIX-UHFFFAOYSA-N 1 0 424.932 3.799 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccnc2-n2cccn2)C1 ZINC000435634136 980968695 /nfs/dbraw/zinc/96/86/95/980968695.db2.gz FMCMJBHYMRWOJM-UHFFFAOYSA-N 1 0 414.513 3.627 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2ccc3c(c2)OCO3)C1 ZINC000435662718 980977682 /nfs/dbraw/zinc/97/76/82/980977682.db2.gz FCANPOSTXREHNW-UHFFFAOYSA-N 1 0 419.525 3.795 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCC[C@@H]2c2ncon2)C1 ZINC000435873410 981071380 /nfs/dbraw/zinc/07/13/80/981071380.db2.gz VMGXVJXJFIEPOH-OAQYLSRUSA-N 1 0 407.518 3.545 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@]3(CCCOC3)C2)C1 ZINC000444240761 986432842 /nfs/dbraw/zinc/43/28/42/986432842.db2.gz DNCSPMBLBGOITA-RUZDIDTESA-N 1 0 409.574 3.827 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCc3c2cccc3O)C1 ZINC000444263835 986461117 /nfs/dbraw/zinc/46/11/17/986461117.db2.gz OFLPQGCPSVQGBS-NRFANRHFSA-N 1 0 403.526 3.917 20 10 HHCDRO COCCc1cc(O)ccc1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000444601049 986787744 /nfs/dbraw/zinc/78/77/44/986787744.db2.gz YKLYZDMQVGRFIF-UHFFFAOYSA-N 1 0 421.541 3.941 20 10 HHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000471830036 990008674 /nfs/dbraw/zinc/00/86/74/990008674.db2.gz BPKFNVNDGIKMMC-OAQYLSRUSA-N 1 0 404.558 3.851 20 10 HHCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000472222625 993251999 /nfs/dbraw/zinc/25/19/99/993251999.db2.gz RCCNMCSJGYKOSD-ROUUACIJSA-N 1 0 412.578 3.518 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)NCc3ccccc3OCC[NH+](C)C)ccc21 ZINC000486039400 998487342 /nfs/dbraw/zinc/48/73/42/998487342.db2.gz BWSHPNFPKDPDSF-UHFFFAOYSA-N 1 0 423.557 3.775 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](Cc3ccccc3)C[NH+](C)C)ccc21 ZINC000486986910 999027642 /nfs/dbraw/zinc/02/76/42/999027642.db2.gz UKCYDNNYZQVVEO-QFIPXVFZSA-N 1 0 407.558 3.807 20 10 HHCDRO CC(C)N1C[C@H](c2noc(Cn3c4ccccc4c4c3CC[N@H+](C(C)C)C4)n2)CC1=O ZINC000551183932 1010425151 /nfs/dbraw/zinc/42/51/51/1010425151.db2.gz RIMHMRPNHBESFN-QGZVFWFLSA-N 1 0 421.545 3.563 20 10 HHCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3[C@@H](C)OC(C)(C)N3C(=O)[C@H](C)[NH3+])n2)cc1 ZINC001211966407 1071786228 /nfs/dbraw/zinc/78/62/28/1071786228.db2.gz VQVSQXQPHFMZIL-FCEWJHQRSA-N 1 0 423.517 3.516 20 10 HHCDRO FC(F)Oc1ccc(N2CCC([NH2+]Cc3nccn3CC(F)(F)F)CC2)cc1 ZINC000729679686 1071801142 /nfs/dbraw/zinc/80/11/42/1071801142.db2.gz OMZMJEIKFPQKCM-UHFFFAOYSA-N 1 0 404.383 3.805 20 10 HHCDRO CCN(CC)c1ccc(C[NH2+]CC2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000729684998 1071809116 /nfs/dbraw/zinc/80/91/16/1071809116.db2.gz ZZUZVNQKGZCEPL-UHFFFAOYSA-N 1 0 415.603 3.723 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](C)SCc3ccccc3)cc2F)CC1 ZINC000730192463 1074135836 /nfs/dbraw/zinc/13/58/36/1074135836.db2.gz AKNHFGOSGYHBHK-GOSISDBHSA-N 1 0 415.578 3.906 20 10 HHCDRO Cc1cc(CC(=O)NCC2(O)CC[NH+](C(C)C)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000760893455 1074538393 /nfs/dbraw/zinc/53/83/93/1074538393.db2.gz ICLXRNWESXURMS-UHFFFAOYSA-N 1 0 417.981 3.642 20 10 HHCDRO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000760943170 1074703823 /nfs/dbraw/zinc/70/38/23/1074703823.db2.gz LLKSQJGYSXPARS-IBGZPJMESA-N 1 0 413.905 3.647 20 10 HHCDRO CC[NH+](CC)[C@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1ccsc1 ZINC000761006689 1075153968 /nfs/dbraw/zinc/15/39/68/1075153968.db2.gz WQZNRNXWNNKTOE-QGZVFWFLSA-N 1 0 421.950 3.954 20 10 HHCDRO Cc1ccc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(N4CCOCC4)c(F)c3)C2=O)cc1 ZINC000766197546 1075509817 /nfs/dbraw/zinc/50/98/17/1075509817.db2.gz FIKYFGOMYXGYFQ-XMSQKQJNSA-N 1 0 411.521 3.817 20 10 HHCDRO COc1cc(Cl)cc(C[N@H+](C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)c1O ZINC000761192568 1075577064 /nfs/dbraw/zinc/57/70/64/1075577064.db2.gz SALWFNRGNRSYRP-HNNXBMFYSA-N 1 0 419.827 3.945 20 10 HHCDRO CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000761222744 1075657309 /nfs/dbraw/zinc/65/73/09/1075657309.db2.gz VELRJCNYERINPR-UHFFFAOYSA-N 1 0 409.490 3.572 20 10 HHCDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000303402216 971683839 /nfs/dbraw/zinc/68/38/39/971683839.db2.gz RWBPNWQOOOBAAM-AWEZNQCLSA-N 1 0 400.700 3.680 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000011853399 962201877 /nfs/dbraw/zinc/20/18/77/962201877.db2.gz HOISUORTLQIYNC-UHFFFAOYSA-N 1 0 421.463 3.656 20 10 HHCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CO[C@H](C)c3ccc(Cl)cc3)CC2)cc1 ZINC000054771880 965638289 /nfs/dbraw/zinc/63/82/89/965638289.db2.gz DLMVIEZYDUVOBC-DYESRHJHSA-N 1 0 404.938 3.609 20 10 HHCDRO COC(=O)COc1c(C)cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cc1C ZINC000063916568 966997150 /nfs/dbraw/zinc/99/71/50/966997150.db2.gz RBFADONAOSBLCO-IBGZPJMESA-N 1 0 412.530 3.543 20 10 HHCDRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000047293611 968127242 /nfs/dbraw/zinc/12/72/42/968127242.db2.gz QASZPOOWVDYPRF-UHFFFAOYSA-N 1 0 413.537 3.559 20 10 HHCDRO COc1ccc(N2CCC(NC(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000072082564 968979718 /nfs/dbraw/zinc/97/97/18/968979718.db2.gz VDRPXCHFCNPUBT-UHFFFAOYSA-N 1 0 422.573 3.628 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(-n4c(C)ccc4C)cc3)cn2)CC1 ZINC000108050248 969354260 /nfs/dbraw/zinc/35/42/60/969354260.db2.gz JXXRHPWJSWNDGT-UHFFFAOYSA-N 1 0 417.557 3.561 20 10 HHCDRO CCOc1ccc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1[N+](=O)[O-] ZINC000115773713 969853441 /nfs/dbraw/zinc/85/34/41/969853441.db2.gz VLONAXRRFUIXPP-UHFFFAOYSA-N 1 0 424.501 3.778 20 10 HHCDRO C[C@@H](c1ccccc1)[N@H+](CC(=O)Nc1ccccc1C(N)=O)Cc1ccccc1O ZINC000216479795 970075627 /nfs/dbraw/zinc/07/56/27/970075627.db2.gz AVEPRVPSLVRTIT-KRWDZBQOSA-N 1 0 403.482 3.693 20 10 HHCDRO CCN(CC)c1ccc(C[NH2+]C2CCN(C(=O)Cc3ccccc3OC)CC2)cc1 ZINC000236957821 970195169 /nfs/dbraw/zinc/19/51/69/970195169.db2.gz SPYRUTDZOJGHJQ-UHFFFAOYSA-N 1 0 409.574 3.865 20 10 HHCDRO COc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1[N+](=O)[O-] ZINC000237325578 970262877 /nfs/dbraw/zinc/26/28/77/970262877.db2.gz SMOGPGXHRSEBQX-OAHLLOKOSA-N 1 0 407.417 3.963 20 10 HHCDRO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)cc1 ZINC000237431535 970284569 /nfs/dbraw/zinc/28/45/69/970284569.db2.gz ACFAJMSRMRUYLM-MOPGFXCFSA-N 1 0 403.567 3.821 20 10 HHCDRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000238101671 970439712 /nfs/dbraw/zinc/43/97/12/970439712.db2.gz AYXBNFJJXRYDPC-UHFFFAOYSA-N 1 0 422.573 3.950 20 10 HHCDRO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)CCc2cccn2C)C1 ZINC000435807622 981039210 /nfs/dbraw/zinc/03/92/10/981039210.db2.gz HMSQTCUMTPLELF-IBGZPJMESA-N 1 0 406.574 3.884 20 10 HHCDRO CC(=O)NCc1ccc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)cc1 ZINC000435857139 981062535 /nfs/dbraw/zinc/06/25/35/981062535.db2.gz QXPHYQGMSLILTK-UHFFFAOYSA-N 1 0 418.541 3.683 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2nc3ccc(Cl)cn3n2)C1 ZINC000435915018 981090401 /nfs/dbraw/zinc/09/04/01/981090401.db2.gz PBZHFZLEIYMDIE-UHFFFAOYSA-N 1 0 422.920 3.743 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(OC3COC3)cc2)C1 ZINC000436020327 981160634 /nfs/dbraw/zinc/16/06/34/981160634.db2.gz ZDAVLGIRXGITMA-UHFFFAOYSA-N 1 0 419.525 3.824 20 10 HHCDRO Cc1nn(C)c(C)c1CCCNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000436034614 981170863 /nfs/dbraw/zinc/17/08/63/981170863.db2.gz SPQNCJJWRXLGTK-UHFFFAOYSA-N 1 0 421.589 3.507 20 10 HHCDRO COCC[C@H](NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)c1ccco1 ZINC000436036977 981172733 /nfs/dbraw/zinc/17/27/33/981172733.db2.gz JGXMLRIEFHVSCZ-FQEVSTJZSA-N 1 0 409.530 3.895 20 10 HHCDRO CSc1cc(CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)ccn1 ZINC000436038234 981173406 /nfs/dbraw/zinc/17/34/06/981173406.db2.gz BEPDZCIHFSJSLO-UHFFFAOYSA-N 1 0 408.571 3.841 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000436042379 981175733 /nfs/dbraw/zinc/17/57/33/981175733.db2.gz XKYHFTFBECWNDD-LJQANCHMSA-N 1 0 410.606 3.597 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC3(CCC3)[C@H]2[C@@H]2CCCO2)C1 ZINC000461306128 983004914 /nfs/dbraw/zinc/00/49/14/983004914.db2.gz PLMIOZKGTFGWQE-UKILVPOCSA-N 1 0 421.585 3.968 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2COc3ccccc3C2)C1 ZINC000443942961 986151409 /nfs/dbraw/zinc/15/14/09/986151409.db2.gz YVEFAAOTOOAKBE-LJQANCHMSA-N 1 0 403.526 3.528 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)C1 ZINC000444273970 986465967 /nfs/dbraw/zinc/46/59/67/986465967.db2.gz VSMLAJAWSZYGPQ-YADARESESA-N 1 0 419.573 3.714 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H](OCC3CC3)C2)C1 ZINC000444280748 986469493 /nfs/dbraw/zinc/46/94/93/986469493.db2.gz KIGOCMRRJOMDCA-HXUWFJFHSA-N 1 0 409.574 3.825 20 10 HHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000471817569 989998758 /nfs/dbraw/zinc/99/87/58/989998758.db2.gz UYQVWJROOGBRTP-UHFFFAOYSA-N 1 0 408.546 3.817 20 10 HHCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000472228648 993258719 /nfs/dbraw/zinc/25/87/19/993258719.db2.gz HFTYIINHRJOYQO-CVDCTZTESA-N 1 0 405.546 3.716 20 10 HHCDRO CCn1c(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)nc2cccnc21 ZINC000477356451 998044462 /nfs/dbraw/zinc/04/44/62/998044462.db2.gz ARBSJJPSMYEBPL-UHFFFAOYSA-N 1 0 416.529 3.811 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCOc3cccc(F)c3C2)C1 ZINC000513115595 1004814821 /nfs/dbraw/zinc/81/48/21/1004814821.db2.gz SJWKDRYCLLDEBO-UHFFFAOYSA-N 1 0 421.516 3.968 20 10 HHCDRO CC[C@H](CC(F)(F)F)NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000760720065 1073376412 /nfs/dbraw/zinc/37/64/12/1073376412.db2.gz SAPSZKLXOAZHKB-GOSISDBHSA-N 1 0 412.500 3.749 20 10 HHCDRO CC[NH+](CC)[C@@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1ccccc1 ZINC000760945296 1074704287 /nfs/dbraw/zinc/70/42/87/1074704287.db2.gz WHFBWFTXIUYVKX-IBGZPJMESA-N 1 0 415.921 3.893 20 10 HHCDRO CCOC(=O)c1c(NC(=O)CC[N@@H+]2C[C@@H](O)C[C@H]2C)sc(C)c1-c1ccccc1 ZINC000761105526 1075429911 /nfs/dbraw/zinc/42/99/11/1075429911.db2.gz OEDGLFNAFHGREM-PBHICJAKSA-N 1 0 416.543 3.684 20 10 HHCDRO COc1cc(Cl)cc(C[N@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)c1O ZINC000761192562 1075576567 /nfs/dbraw/zinc/57/65/67/1075576567.db2.gz RWMFFTLXXBGELM-AWEZNQCLSA-N 1 0 419.827 3.945 20 10 HHCDRO COc1cc(Cl)cc(C[N@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)c1O ZINC000761192563 1075576940 /nfs/dbraw/zinc/57/69/40/1075576940.db2.gz RWMFFTLXXBGELM-CQSZACIVSA-N 1 0 419.827 3.945 20 10 HHCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)c1O ZINC000761197765 1075580935 /nfs/dbraw/zinc/58/09/35/1075580935.db2.gz CUWDFUIKCBTDSS-GOSISDBHSA-N 1 0 411.329 3.871 20 10 HHCDRO COc1ccc([C@H](C)C[NH+]2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000761220054 1075645919 /nfs/dbraw/zinc/64/59/19/1075645919.db2.gz SQXCPMJREJBJMI-QGZVFWFLSA-N 1 0 400.519 3.647 20 10 HHCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ncc(Cl)cc1Cl ZINC001127181692 1075690529 /nfs/dbraw/zinc/69/05/29/1075690529.db2.gz MTNHGOXNWHNHFD-UHFFFAOYSA-N 1 0 419.356 3.850 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNc3cc(OC)cc(F)c3[N+](=O)[O-])cc2F)CC1 ZINC000301437000 970927491 /nfs/dbraw/zinc/92/74/91/970927491.db2.gz KFYRUCHWGGTVBS-UHFFFAOYSA-N 1 0 406.433 3.636 20 10 HHCDRO O=[N+]([O-])c1cnc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c(Cl)c1 ZINC000301917275 971114435 /nfs/dbraw/zinc/11/44/35/971114435.db2.gz HILKCDKQYOWTIX-UHFFFAOYSA-N 1 0 401.898 3.787 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNc3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1 ZINC000302639332 971268520 /nfs/dbraw/zinc/26/85/20/971268520.db2.gz XOZRAZSAEFBFIG-UHFFFAOYSA-N 1 0 421.501 3.776 20 10 HHCDRO CCc1ccc([C@H](CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)[NH+](C)C)cc1 ZINC000302905017 971383796 /nfs/dbraw/zinc/38/37/96/971383796.db2.gz YRVFRLIDPPRQGC-DEOSSOPVSA-N 1 0 424.589 3.530 20 10 HHCDRO COc1cc[nH+]c(N2CCN(C(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)c1 ZINC000303176032 971543668 /nfs/dbraw/zinc/54/36/68/971543668.db2.gz CFBABVRKPAHHPC-UHFFFAOYSA-N 1 0 408.477 3.599 20 10 HHCDRO CCN(CC)c1ccc(CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1F ZINC000303285937 971599065 /nfs/dbraw/zinc/59/90/65/971599065.db2.gz ACMROCALTGTUGQ-UHFFFAOYSA-N 1 0 413.541 3.531 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)[C@H]3CCc4ccccc4C3)cc2F)CC1 ZINC000303584266 971876266 /nfs/dbraw/zinc/87/62/66/971876266.db2.gz PYVVZMPGCKRBDG-QFIPXVFZSA-N 1 0 424.564 3.667 20 10 HHCDRO CCC[N@H+](Cc1c(O)ccc2cc(Br)ccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000014264453 962455233 /nfs/dbraw/zinc/45/52/33/962455233.db2.gz AQRABDYXTNHJRS-OAHLLOKOSA-N 1 0 412.349 3.707 20 10 HHCDRO CCOc1ccc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1OC ZINC000056479099 966353834 /nfs/dbraw/zinc/35/38/34/966353834.db2.gz FOFDYMPMKDKRFF-UHFFFAOYSA-N 1 0 409.530 3.878 20 10 HHCDRO CN(C)c1ccc(CN(C)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000064251361 967105466 /nfs/dbraw/zinc/10/54/66/967105466.db2.gz ADAYUMOVIGTTMG-UHFFFAOYSA-N 1 0 400.592 3.868 20 10 HHCDRO CN1CCCc2cc(CNC(=O)NC[C@H]3CCC[N@H+](Cc4cccs4)C3)ccc21 ZINC000064644419 967258159 /nfs/dbraw/zinc/25/81/59/967258159.db2.gz CBRGLFGKXBAIFV-LJQANCHMSA-N 1 0 412.603 3.842 20 10 HHCDRO COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3CC[NH+](C4CCCC4)CC3)c2C)cc1 ZINC000097205588 969101616 /nfs/dbraw/zinc/10/16/16/969101616.db2.gz LOYZSFZQQSGIMN-UHFFFAOYSA-N 1 0 423.557 3.624 20 10 HHCDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000108813545 969421819 /nfs/dbraw/zinc/42/18/19/969421819.db2.gz KNCVRNNDKXHYQA-SBHAEUEKSA-N 1 0 417.594 3.839 20 10 HHCDRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000236687447 970155709 /nfs/dbraw/zinc/15/57/09/970155709.db2.gz SMJLDWPFPNQRHX-UHFFFAOYSA-N 1 0 415.603 3.996 20 10 HHCDRO CC(C)(C)OC(=O)NC1CCC([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000236783438 970171558 /nfs/dbraw/zinc/17/15/58/970171558.db2.gz XWVRFMOFNATZNH-UHFFFAOYSA-N 1 0 407.530 3.588 20 10 HHCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)c1 ZINC000236846446 970179560 /nfs/dbraw/zinc/17/95/60/970179560.db2.gz FBXJUJOWTXWELN-INIZCTEOSA-N 1 0 406.548 3.672 20 10 HHCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H]2CCc3nc(COC)nn3C2)cc1 ZINC000236972983 970196880 /nfs/dbraw/zinc/19/68/80/970196880.db2.gz HXZYSNWJYZXRTG-OAQYLSRUSA-N 1 0 405.546 3.556 20 10 HHCDRO COc1cc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc2c1OCO2 ZINC000237365130 970270413 /nfs/dbraw/zinc/27/04/13/970270413.db2.gz NYHLMCLLEQULJV-OAHLLOKOSA-N 1 0 406.429 3.784 20 10 HHCDRO Cc1ccc(O)c(C[NH2+]Cc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)c1 ZINC000237764005 970359515 /nfs/dbraw/zinc/35/95/15/970359515.db2.gz DHKHBPKOYMCNRN-UHFFFAOYSA-N 1 0 414.502 3.608 20 10 HHCDRO Cn1cc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237776695 970365270 /nfs/dbraw/zinc/36/52/70/970365270.db2.gz JDGVWCRPNXOJAE-UHFFFAOYSA-N 1 0 423.542 3.838 20 10 HHCDRO CN(C(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)[C@H]1CCCc2ccccc21 ZINC000255067362 970584005 /nfs/dbraw/zinc/58/40/05/970584005.db2.gz RVTNKPZVKHSVBK-GGAORHGYSA-N 1 0 408.542 3.909 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCCC23CCOCC3)C1 ZINC000409808932 973282391 /nfs/dbraw/zinc/28/23/91/973282391.db2.gz VODUPDRZNMBSMJ-QHCPKHFHSA-N 1 0 409.574 3.873 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc([S@@](C)=O)cc2)C1 ZINC000435816595 981043217 /nfs/dbraw/zinc/04/32/17/981043217.db2.gz HXEPPHHWKGEOEX-GDLZYMKVSA-N 1 0 409.555 3.784 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)C1 ZINC000435906716 981086727 /nfs/dbraw/zinc/08/67/27/981086727.db2.gz HRXRCRFYBVFBRB-VQTJNVASSA-N 1 0 409.574 3.683 20 10 HHCDRO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)Cc2ccc(O)cc2)C1 ZINC000444340204 986518742 /nfs/dbraw/zinc/51/87/42/986518742.db2.gz QCXQWRIDJDIVRO-SFHVURJKSA-N 1 0 405.542 3.861 20 10 HHCDRO COc1ccc(N2CCOC[C@]3(CCC[N@@H+]([C@@H]4Cc5ccc(OC)cc5C4)C3)C2)cc1 ZINC001168269533 1071884627 /nfs/dbraw/zinc/88/46/27/1071884627.db2.gz VNRRRYSUNAGXIJ-BVAGGSTKSA-N 1 0 422.569 3.790 20 10 HHCDRO c1cncc(COc2ccc(N3CC[NH+](Cc4cccc5nonc54)CC3)cc2)c1 ZINC001203144694 1072066969 /nfs/dbraw/zinc/06/69/69/1072066969.db2.gz QAOBDIRVCCGFRA-UHFFFAOYSA-N 1 0 401.470 3.519 20 10 HHCDRO CCOc1ccc(N2CC[NH+](CCC(=O)Nc3cc(Cl)ccc3OC)CC2)cc1 ZINC001168331249 1072510830 /nfs/dbraw/zinc/51/08/30/1072510830.db2.gz ASNWPQCWMUQPEI-UHFFFAOYSA-N 1 0 417.937 3.898 20 10 HHCDRO Cc1cc(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)c(C)n1-c1cccc(Cl)c1 ZINC000760897878 1074614375 /nfs/dbraw/zinc/61/43/75/1074614375.db2.gz ZXZFXIVUNFBKFS-UHFFFAOYSA-N 1 0 403.954 3.713 20 10 HHCDRO Cc1ccc([C@H](CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)[NH+]2CCCC2)o1 ZINC000761208829 1075602748 /nfs/dbraw/zinc/60/27/48/1075602748.db2.gz NSFCEVNEWUAVBG-KRWDZBQOSA-N 1 0 417.893 3.548 20 10 HHCDRO COc1cc(N2CC[NH+]([C@@H](C)CCc3cccc(F)c3)CC2)cc(OC)c1OC ZINC000761218752 1075636723 /nfs/dbraw/zinc/63/67/23/1075636723.db2.gz HDTQDAPMYFDYCY-KRWDZBQOSA-N 1 0 402.510 3.995 20 10 HHCDRO COc1cc(N2CC[NH+](Cc3ccc(OCC(F)F)cc3)CC2)cc(OC)c1OC ZINC000761218452 1075638500 /nfs/dbraw/zinc/63/85/00/1075638500.db2.gz DKWQRFWXDNDBLE-UHFFFAOYSA-N 1 0 422.472 3.679 20 10 HHCDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CC[C@@H](n3cc(C(=O)OC)nn3)C2)cc1 ZINC000761225696 1075664510 /nfs/dbraw/zinc/66/45/10/1075664510.db2.gz HCWFXCUQTDJLKL-JOCHJYFZSA-N 1 0 419.529 3.538 20 10 HHCDRO Brc1ccc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)nc1 ZINC000301912212 971112776 /nfs/dbraw/zinc/11/27/76/971112776.db2.gz CYRHVEKDUHGPRA-UHFFFAOYSA-N 1 0 401.352 3.988 20 10 HHCDRO O=[N+]([O-])c1cc(Cl)cnc1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000301918609 971115409 /nfs/dbraw/zinc/11/54/09/971115409.db2.gz IEAZIIDJKVBUIX-UHFFFAOYSA-N 1 0 401.898 3.787 20 10 HHCDRO CC[NH+]1CCN(CCCNC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CC1 ZINC000303066544 971486498 /nfs/dbraw/zinc/48/64/98/971486498.db2.gz YWWFRIWRFCKLSZ-UHFFFAOYSA-N 1 0 402.970 3.505 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CSc3cc(C)ccc3C)cc2F)CC1 ZINC000303312400 971621262 /nfs/dbraw/zinc/62/12/62/971621262.db2.gz PKLNNEDMEYUWBC-UHFFFAOYSA-N 1 0 415.578 3.993 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000011853396 962202341 /nfs/dbraw/zinc/20/23/41/962202341.db2.gz SIOYDFKBDSPQNY-UHFFFAOYSA-N 1 0 411.590 3.540 20 10 HHCDRO O=S(=O)(NC1CC[NH+](Cc2c(O)ccc3ccccc32)CC1)c1cccs1 ZINC000027534860 964914789 /nfs/dbraw/zinc/91/47/89/964914789.db2.gz KFMLATRYGNLMDE-UHFFFAOYSA-N 1 0 402.541 3.550 20 10 HHCDRO COC(=O)COc1c(C)cc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1C ZINC000063915227 966996941 /nfs/dbraw/zinc/99/69/41/966996941.db2.gz WRVLWJAEWZXVRZ-UHFFFAOYSA-N 1 0 414.571 3.698 20 10 HHCDRO CCC[N@H+](CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)Cc1ccccc1O ZINC000111087343 969774736 /nfs/dbraw/zinc/77/47/36/969774736.db2.gz UQPAEYKKPNOFJL-NRFANRHFSA-N 1 0 412.530 3.985 20 10 HHCDRO CCn1cc(C(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)c2ccccc21 ZINC000115527778 969841292 /nfs/dbraw/zinc/84/12/92/969841292.db2.gz RNRBHLOPOCASJA-UHFFFAOYSA-N 1 0 420.557 3.612 20 10 HHCDRO CCOC(=O)C1CCN(C(=O)C[N@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)CC1 ZINC000216476935 970075558 /nfs/dbraw/zinc/07/55/58/970075558.db2.gz QLUOIIJYIMKTJF-IBGZPJMESA-N 1 0 424.541 3.757 20 10 HHCDRO CCS(=O)(=O)c1ccc(N2CCC([NH2+]Cc3cc(C)c(C)cc3O)CC2)cc1 ZINC000237087306 970220576 /nfs/dbraw/zinc/22/05/76/970220576.db2.gz VKCFVPGKGPYFLZ-UHFFFAOYSA-N 1 0 402.560 3.561 20 10 HHCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3ccccc3OC(F)F)CC2)cc1 ZINC000237272982 970252507 /nfs/dbraw/zinc/25/25/07/970252507.db2.gz JSYNNDBDMNPIAD-UHFFFAOYSA-N 1 0 405.489 3.599 20 10 HHCDRO COc1ccc(N2CCC([NH2+]Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000237573002 970315952 /nfs/dbraw/zinc/31/59/52/970315952.db2.gz AEVDDJTYZSWBEM-UHFFFAOYSA-N 1 0 421.501 3.763 20 10 HHCDRO Cc1ccc(CNC(=O)c2cccc(C[NH2+]Cc3cc4c(cc3O)OCO4)c2)cc1 ZINC000237876377 970387103 /nfs/dbraw/zinc/38/71/03/970387103.db2.gz WORJIAQVVBKVIO-UHFFFAOYSA-N 1 0 404.466 3.649 20 10 HHCDRO COc1ccc(N2CCC[N@H+](C[C@@H](O)CO[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000250590551 970537318 /nfs/dbraw/zinc/53/73/18/970537318.db2.gz WZQRWECBTLQWEA-RDGATRHJSA-N 1 0 410.558 3.662 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC2(C(F)(F)F)CCOCC2)C1 ZINC000435809983 981040509 /nfs/dbraw/zinc/04/05/09/981040509.db2.gz RGCUDCVAKFXTRG-UHFFFAOYSA-N 1 0 423.479 3.636 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(CC(F)(F)F)[C@@H]2CCOC2)C1 ZINC000435811162 981040860 /nfs/dbraw/zinc/04/08/60/981040860.db2.gz VRLBRGXJDRGPLS-MRXNPFEDSA-N 1 0 423.479 3.588 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCC[C@H]2c2ncon2)C1 ZINC000435873409 981071405 /nfs/dbraw/zinc/07/14/05/981071405.db2.gz VMGXVJXJFIEPOH-NRFANRHFSA-N 1 0 407.518 3.545 20 10 HHCDRO Cc1noc(C)c1[C@H](C)CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435909734 981087801 /nfs/dbraw/zinc/08/78/01/981087801.db2.gz URDIQWHQHYWXEJ-MRXNPFEDSA-N 1 0 408.546 3.933 20 10 HHCDRO CCc1nn(C)c(CC)c1CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435920163 981093000 /nfs/dbraw/zinc/09/30/00/981093000.db2.gz GSMNCMDNKJJSJY-UHFFFAOYSA-N 1 0 421.589 3.583 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC3(CCOCC3)[C@H]2C)C1 ZINC000436022127 981161470 /nfs/dbraw/zinc/16/14/70/981161470.db2.gz AOCALEDZHLRBFJ-LJQANCHMSA-N 1 0 409.574 3.825 20 10 HHCDRO CNC(=O)Nc1cccc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)c1 ZINC000443907552 986105681 /nfs/dbraw/zinc/10/56/81/986105681.db2.gz JLKQJTWATQSLNN-UHFFFAOYSA-N 1 0 419.529 3.798 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)C1 ZINC000444273969 986466012 /nfs/dbraw/zinc/46/60/12/986466012.db2.gz VSMLAJAWSZYGPQ-NTKDMRAZSA-N 1 0 419.573 3.714 20 10 HHCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000472035760 990207238 /nfs/dbraw/zinc/20/72/38/990207238.db2.gz UXFAGQCLORWMOF-GOSISDBHSA-N 1 0 405.546 3.907 20 10 HHCDRO CCOC(=O)[C@@H](NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C(C)(C)C ZINC001126781136 1072382963 /nfs/dbraw/zinc/38/29/63/1072382963.db2.gz OQYBTYHKAKDXNA-JOCHJYFZSA-N 1 0 413.562 3.502 20 10 HHCDRO COc1ccc(-n2c(C)cc(CN(C)C(=S)NCC3CC[NH+](C)CC3)c2C)cc1 ZINC000760491872 1072396861 /nfs/dbraw/zinc/39/68/61/1072396861.db2.gz QHUWEHXGOGOKOB-UHFFFAOYSA-N 1 0 414.619 3.751 20 10 HHCDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000761050968 1075276066 /nfs/dbraw/zinc/27/60/66/1075276066.db2.gz LTVMIPXEZQGCLY-IYBDPMFKSA-N 1 0 407.942 3.568 20 10 HHCDRO COc1cc(Cl)cc(C[N@H+](C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)c1O ZINC000761192569 1075576957 /nfs/dbraw/zinc/57/69/57/1075576957.db2.gz SALWFNRGNRSYRP-OAHLLOKOSA-N 1 0 419.827 3.945 20 10 HHCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1O ZINC000761201522 1075586318 /nfs/dbraw/zinc/58/63/18/1075586318.db2.gz AZOCKXOYQQJWNJ-UHFFFAOYSA-N 1 0 424.950 3.519 20 10 HHCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)c1O ZINC000761214218 1075628198 /nfs/dbraw/zinc/62/81/98/1075628198.db2.gz AGGQYNQLHDDCJF-QAPCUYQASA-N 1 0 413.276 3.908 20 10 HHCDRO COc1cc(Br)cc(CN(C)c2ccc(OCC[NH+](C)C)cc2)c1O ZINC000761224327 1075667500 /nfs/dbraw/zinc/66/75/00/1075667500.db2.gz WQZWYCJYOGIOOF-UHFFFAOYSA-N 1 0 409.324 3.740 20 10 HHCDRO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000302831625 971339385 /nfs/dbraw/zinc/33/93/85/971339385.db2.gz CCSOMHVHWAJDIO-NRFANRHFSA-N 1 0 400.494 3.561 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNc3ccc4cc([N+](=O)[O-])ccc4n3)CC2)cc1 ZINC000302995937 971443160 /nfs/dbraw/zinc/44/31/60/971443160.db2.gz YKCSHOQMDUVTEQ-UHFFFAOYSA-N 1 0 421.501 3.776 20 10 HHCDRO CC1CCN(c2cccc(NC(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)c2)CC1 ZINC000303775157 972020762 /nfs/dbraw/zinc/02/07/62/972020762.db2.gz FYYQVJHYWUADIT-UHFFFAOYSA-N 1 0 406.574 3.923 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000011853406 962202197 /nfs/dbraw/zinc/20/21/97/962202197.db2.gz FOHKGLRODPTJRQ-UHFFFAOYSA-N 1 0 421.463 3.656 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(CSC)cc3)CC2)cc1 ZINC000024088646 963938654 /nfs/dbraw/zinc/93/86/54/963938654.db2.gz KIUYWWANYRAHCQ-UHFFFAOYSA-N 1 0 413.587 3.500 20 10 HHCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3c[nH]nc3-c3ccc(C)cc3)CC2)cc1 ZINC000029655056 965447669 /nfs/dbraw/zinc/44/76/69/965447669.db2.gz YAAUPBSRMGJSFM-UHFFFAOYSA-N 1 0 419.573 3.696 20 10 HHCDRO COc1ccc(N2CCN(C(=O)C[NH2+]C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000030289784 965655573 /nfs/dbraw/zinc/65/55/73/965655573.db2.gz ZCFXARZYNNLSEH-UHFFFAOYSA-N 1 0 415.537 3.723 20 10 HHCDRO Cc1cc(C(=O)CSc2nc(N)cc(N)[nH+]2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000046560637 967859358 /nfs/dbraw/zinc/85/93/58/967859358.db2.gz YIHVEXBFGVLZIW-UHFFFAOYSA-N 1 0 419.457 3.625 20 10 HHCDRO Cc1cc(C(=O)CN2CC[NH+](C3CCCC3)CC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000105900523 969272826 /nfs/dbraw/zinc/27/28/26/969272826.db2.gz QFHAJTVUSJHBRJ-UHFFFAOYSA-N 1 0 423.557 3.608 20 10 HHCDRO COc1ccc(N2CCC(NC(=O)NC[C@@H](C(C)C)[NH+]3CCCCCC3)CC2)cc1 ZINC000110419674 969665262 /nfs/dbraw/zinc/66/52/62/969665262.db2.gz FEZVGVAHKFDKEA-QHCPKHFHSA-N 1 0 416.610 3.864 20 10 HHCDRO COc1ccc(N2CCC(NC(=O)N3CCC[N@H+](Cc4ccccc4)CC3)CC2)cc1 ZINC000110423159 969665734 /nfs/dbraw/zinc/66/57/34/969665734.db2.gz VUBFNWNMGNHAKG-UHFFFAOYSA-N 1 0 422.573 3.582 20 10 HHCDRO COc1ccc(N2CCC(NC(=O)NCCCC[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)cc1 ZINC000110464728 969672913 /nfs/dbraw/zinc/67/29/13/969672913.db2.gz YMMHJLXRLAMHIE-WOJBJXKFSA-N 1 0 416.610 3.721 20 10 HHCDRO COc1cccc(C[NH2+]Cc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)c1O ZINC000237499610 970302313 /nfs/dbraw/zinc/30/23/13/970302313.db2.gz DPKBYCVURDQSPC-UHFFFAOYSA-N 1 0 422.504 3.551 20 10 HHCDRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000237579389 970315870 /nfs/dbraw/zinc/31/58/70/970315870.db2.gz BTKZZFNHLVOMDE-HXUWFJFHSA-N 1 0 422.573 3.630 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc3c(c2)NC(=O)CC3)C1 ZINC000435829379 981049527 /nfs/dbraw/zinc/04/95/27/981049527.db2.gz XKHRTBRBXVCHRG-UHFFFAOYSA-N 1 0 416.525 3.931 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cnn(CC(F)F)c2)C1 ZINC000435863400 981065033 /nfs/dbraw/zinc/06/50/33/981065033.db2.gz WNMQBVCUSZZPLG-UHFFFAOYSA-N 1 0 401.461 3.508 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)C(=O)Nc2ccccc2)C1 ZINC000435880661 981075012 /nfs/dbraw/zinc/07/50/12/981075012.db2.gz QBZOIQULFMERDW-SFHVURJKSA-N 1 0 418.541 3.551 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000435905921 981085925 /nfs/dbraw/zinc/08/59/25/981085925.db2.gz DAXTYQLNPGSODM-OWAUWMPXSA-N 1 0 421.585 3.872 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H]([C@H]3CCOC3)C2)C1 ZINC000435906715 981086673 /nfs/dbraw/zinc/08/66/73/981086673.db2.gz HRXRCRFYBVFBRB-UXHICEINSA-N 1 0 409.574 3.683 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC([C@@H]3CCCO3)CC2)C1 ZINC000444279242 986468546 /nfs/dbraw/zinc/46/85/46/986468546.db2.gz FGOBBUSGRNXFRF-DEOSSOPVSA-N 1 0 409.574 3.825 20 10 HHCDRO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)Cc2cccc(O)c2)C1 ZINC000444334556 986512385 /nfs/dbraw/zinc/51/23/85/986512385.db2.gz HQRDRPZHHGGBDB-SFHVURJKSA-N 1 0 405.542 3.861 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCCC[C@@H]2c2ncon2)C1 ZINC000444369310 986546251 /nfs/dbraw/zinc/54/62/51/986546251.db2.gz QYKUSKIOKKSKAP-JOCHJYFZSA-N 1 0 421.545 3.935 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCOCc3ccccc32)C1 ZINC000470636293 988650192 /nfs/dbraw/zinc/65/01/92/988650192.db2.gz WNGCBLFJQUCZGP-UHFFFAOYSA-N 1 0 403.526 3.971 20 10 HHCDRO COc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000912760159 1072278839 /nfs/dbraw/zinc/27/88/39/1072278839.db2.gz INXHEZJCJMGQOS-MRXNPFEDSA-N 1 0 411.329 3.564 20 10 HHCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)c1O ZINC000913064451 1072321930 /nfs/dbraw/zinc/32/19/30/1072321930.db2.gz VSWXEBPHBKCUQU-UHFFFAOYSA-N 1 0 418.493 3.680 20 10 HHCDRO C[C@H]1C[C@H](C)C[NH+](CCCCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000761050946 1075275675 /nfs/dbraw/zinc/27/56/75/1075275675.db2.gz LTVMIPXEZQGCLY-HOTGVXAUSA-N 1 0 407.942 3.568 20 10 HHCDRO COc1cc(Cl)cc(C[N@@H+]2CCc3cc(OC)c(OC)c(OC)c3CC2)c1O ZINC000761206261 1075593842 /nfs/dbraw/zinc/59/38/42/1075593842.db2.gz UYHYHOHLSKFLGL-UHFFFAOYSA-N 1 0 407.894 3.681 20 10 HHCDRO COc1cc(Br)cc(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c1O ZINC000761226012 1075663761 /nfs/dbraw/zinc/66/37/61/1075663761.db2.gz MDLDEXHWHBXKEW-SFHVURJKSA-N 1 0 406.320 3.936 20 10 HHCDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000303034062 971468782 /nfs/dbraw/zinc/46/87/82/971468782.db2.gz UQMQZIYKDOQXMI-AZUAARDMSA-N 1 0 403.567 3.593 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(Br)cc3)cc2F)CC1 ZINC000303302149 971612855 /nfs/dbraw/zinc/61/28/55/971612855.db2.gz MYNOSZOBCQAPNO-UHFFFAOYSA-N 1 0 420.326 3.660 20 10 HHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C[C@@H](C)c3cccc(F)c3)cc2F)CC1 ZINC000303738953 971993248 /nfs/dbraw/zinc/99/32/48/971993248.db2.gz XSRXLRSZUDEYLB-QGZVFWFLSA-N 1 0 401.501 3.917 20 10 HHCDRO COc1ccc(N2CC[NH+](CCCNC(=S)Nc3ccc(C)c(F)c3)CC2)cc1 ZINC000018946306 963340080 /nfs/dbraw/zinc/34/00/80/963340080.db2.gz MHXPOMZVGXXCSK-UHFFFAOYSA-N 1 0 416.566 3.641 20 10 HHCDRO COc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)ccc1OCc1ccncc1 ZINC000048714699 964036890 /nfs/dbraw/zinc/03/68/90/964036890.db2.gz VOZGNLIUKRJCHH-UHFFFAOYSA-N 1 0 419.525 3.796 20 10 HHCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1OC ZINC000048745145 964050573 /nfs/dbraw/zinc/05/05/73/964050573.db2.gz BLZIVPZNHAQWIZ-UHFFFAOYSA-N 1 0 410.436 3.849 20 10 HHCDRO COc1ccc(C(=O)N2CC[NH+](Cc3c(O)ccc4ccc(OC)cc43)CC2)cc1 ZINC000025475483 964283482 /nfs/dbraw/zinc/28/34/82/964283482.db2.gz TYAVBYJUHARMCK-UHFFFAOYSA-N 1 0 406.482 3.521 20 10 HHCDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000051131966 964468956 /nfs/dbraw/zinc/46/89/56/964468956.db2.gz XYUSDZXAPLPABR-RCZVLFRGSA-N 1 0 409.574 3.811 20 10 HHCDRO CN(C)c1ccc(CNC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000116548126 969903422 /nfs/dbraw/zinc/90/34/22/969903422.db2.gz GVGAGVSOBWQDJF-OAQYLSRUSA-N 1 0 423.454 3.963 20 10 HHCDRO COc1cccc([C@@H](CNC(=O)NCc2ccc3c(c2)CCCN3C)[NH+]2CCCC2)c1 ZINC000195741025 969994140 /nfs/dbraw/zinc/99/41/40/969994140.db2.gz UARBLJZBOZWVHL-XMMPIXPASA-N 1 0 422.573 3.714 20 10 HHCDRO CCOc1cccc(C[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)c1O ZINC000236918928 970189010 /nfs/dbraw/zinc/18/90/10/970189010.db2.gz AGUGYBWTLVBEEL-UHFFFAOYSA-N 1 0 406.486 3.797 20 10 HHCDRO CCOc1cccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)c1O ZINC000236956513 970194876 /nfs/dbraw/zinc/19/48/76/970194876.db2.gz SEHSSZGZVBPLBA-INIZCTEOSA-N 1 0 406.548 3.672 20 10 HHCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3ccc(OC(F)F)cc3)CC2)cc1 ZINC000237272020 970252580 /nfs/dbraw/zinc/25/25/80/970252580.db2.gz UQPVZXIKPZCIPH-UHFFFAOYSA-N 1 0 405.489 3.599 20 10 HHCDRO FC(F)(F)c1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000237718381 970346559 /nfs/dbraw/zinc/34/65/59/970346559.db2.gz SIACIWRWAOJNNK-OAQYLSRUSA-N 1 0 419.491 3.906 20 10 HHCDRO O=S(=O)(c1ccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)cc1)N1CCCC1 ZINC000238028573 970421085 /nfs/dbraw/zinc/42/10/85/970421085.db2.gz XRIKONHTBIULLW-UHFFFAOYSA-N 1 0 413.587 3.751 20 10 HHCDRO COC(=O)c1ccsc1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435543655 980932350 /nfs/dbraw/zinc/93/23/50/980932350.db2.gz MRQPORQTELHGBC-UHFFFAOYSA-N 1 0 411.527 3.895 20 10 HHCDRO Cc1ccc([C@H]2COCCN2C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)o1 ZINC000435862670 981064434 /nfs/dbraw/zinc/06/44/34/981064434.db2.gz PGHRRUQYJHTWHU-HSZRJFAPSA-N 1 0 421.541 3.909 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)C(=O)Nc2ccccc2)C1 ZINC000435880658 981075140 /nfs/dbraw/zinc/07/51/40/981075140.db2.gz QBZOIQULFMERDW-GOSISDBHSA-N 1 0 418.541 3.551 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H]([C@H]3CCOC3)C2)C1 ZINC000435906714 981086209 /nfs/dbraw/zinc/08/62/09/981086209.db2.gz HRXRCRFYBVFBRB-PMACEKPBSA-N 1 0 409.574 3.683 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC000443176999 985428025 /nfs/dbraw/zinc/42/80/25/985428025.db2.gz XQQUFEYRZGTLPU-UHFFFAOYSA-N 1 0 417.513 3.639 20 10 HHCDRO Cc1ccn2cc(CNC(=O)Cn3c4ccccc4c4c3CC[N@@H+](C(C)C)C4)nc2c1 ZINC000444021070 986213727 /nfs/dbraw/zinc/21/37/27/986213727.db2.gz MIMBLUPJVMPWJE-UHFFFAOYSA-N 1 0 415.541 3.680 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2cccc(N(C)C)c2)C1 ZINC000444138410 986327685 /nfs/dbraw/zinc/32/76/85/986327685.db2.gz ISUNXXZHKMQWOM-UHFFFAOYSA-N 1 0 404.558 3.790 20 10 HHCDRO COC1CC[NH+](C2(CNC(=O)NCc3c(C)c4ccccc4n3C)CCCC2)CC1 ZINC000471870009 990042368 /nfs/dbraw/zinc/04/23/68/990042368.db2.gz IVDVEJKWFRLRFS-UHFFFAOYSA-N 1 0 412.578 3.710 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)NC3CC[NH+](Cc4cccnc4)CC3)ccc21 ZINC000473906669 994868805 /nfs/dbraw/zinc/86/88/05/994868805.db2.gz USQSBPIVSNBLCA-UHFFFAOYSA-N 1 0 420.557 3.694 20 10 HHCDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)ccc21 ZINC000484917570 997292756 /nfs/dbraw/zinc/29/27/56/997292756.db2.gz OUQQGXXNFOEUMW-QFIPXVFZSA-N 1 0 407.558 3.807 20 10 HHCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2nncn2-c2ccccc2)C1 ZINC000512041404 1003975605 /nfs/dbraw/zinc/97/56/05/1003975605.db2.gz LWHYSHHSEYHDKI-UHFFFAOYSA-N 1 0 414.513 3.627 20 10 HHCDRO CC(C)N1C[C@@H](c2noc(Cn3c4ccccc4c4c3CC[N@H+](C(C)C)C4)n2)CC1=O ZINC000551183924 1010424955 /nfs/dbraw/zinc/42/49/55/1010424955.db2.gz RIMHMRPNHBESFN-KRWDZBQOSA-N 1 0 421.545 3.563 20 10 HHCDRO Cc1onc(-c2cccnc2)c1C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000552366668 1012376745 /nfs/dbraw/zinc/37/67/45/1012376745.db2.gz SQMCFOITTVQAEB-UHFFFAOYSA-N 1 0 406.486 3.796 20 10 HHCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000913144100 1072340874 /nfs/dbraw/zinc/34/08/74/1072340874.db2.gz WVOGNAYHHUBKDA-UHFFFAOYSA-N 1 0 400.494 3.883 20 10 HHCDRO COCCN(Cc1ccc(C)o1)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC001126981417 1074172175 /nfs/dbraw/zinc/17/21/75/1074172175.db2.gz IOGCGSWMTFFJBA-UHFFFAOYSA-N 1 0 423.557 3.984 20 10 HHCDRO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000760928275 1074694507 /nfs/dbraw/zinc/69/45/07/1074694507.db2.gz MFZCKBSDYQCYGU-KRWDZBQOSA-N 1 0 417.893 3.630 20 10 HHCDRO CC[NH+](CC)[C@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1ccccc1 ZINC000760945297 1074704217 /nfs/dbraw/zinc/70/42/17/1074704217.db2.gz WHFBWFTXIUYVKX-LJQANCHMSA-N 1 0 415.921 3.893 20 10 HHCDRO CCc1ccc([C@H](CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)[NH+](C)C)cc1 ZINC000760948359 1074705888 /nfs/dbraw/zinc/70/58/88/1074705888.db2.gz HJXJLMIUXZGCNJ-IBGZPJMESA-N 1 0 415.921 3.675 20 10 HHCDRO COc1cc(N2CC[NH+](Cc3cc(C)c4ncccc4c3)CC2)cc(OC)c1OC ZINC000761219473 1075642315 /nfs/dbraw/zinc/64/23/15/1075642315.db2.gz QQPXFOORLIWULG-UHFFFAOYSA-N 1 0 407.514 3.891 20 10 HHCDRO