smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CCO[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001164402170 718862832 /nfs/dbraw/zinc/86/28/32/718862832.db2.gz IZWKROVKMMZULU-YGRLFVJLSA-N 1 0 403.260 3.296 20 0 HGADRO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CCO[C@@H]2C[NH2+]CC[C@H]2C1 ZINC001164402164 718862856 /nfs/dbraw/zinc/86/28/56/718862856.db2.gz IZWKROVKMMZULU-IINYFYTJSA-N 1 0 403.260 3.296 20 0 HGADRO COc1ccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164407882 718865768 /nfs/dbraw/zinc/86/57/68/718865768.db2.gz KLDFTHFMQSTABO-RDTXWAMCSA-N 1 0 424.879 3.165 20 0 HGADRO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164423775 718916174 /nfs/dbraw/zinc/91/61/74/718916174.db2.gz IYMBEXJYVARMOU-CQSZACIVSA-N 1 0 416.683 3.172 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C)nc4ccc(F)cc43)CC2)CC1 ZINC001164613887 719023781 /nfs/dbraw/zinc/02/37/81/719023781.db2.gz IWJBJPPUFRDBSD-UHFFFAOYSA-N 1 0 400.498 3.321 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(C)nc(Cl)n3)CC2)CC1 ZINC001164614314 719024495 /nfs/dbraw/zinc/02/44/95/719024495.db2.gz REDGBGGMJITHAZ-UHFFFAOYSA-N 1 0 416.900 3.227 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3cnc(OCc4ccccc4)cn3)CC2)CC1 ZINC001164618414 719030305 /nfs/dbraw/zinc/03/03/05/719030305.db2.gz WMFIYJMMKJFDCS-UHFFFAOYSA-N 1 0 424.545 3.300 20 0 HGADRO CCOC(=O)c1c[nH]c2ncnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c12 ZINC001164624926 719065982 /nfs/dbraw/zinc/06/59/82/719065982.db2.gz MACWEWALEXCXHD-HKUYNNGSSA-N 1 0 405.502 3.235 20 0 HGADRO Clc1ncc(N2CCOCC2)c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164624963 719080016 /nfs/dbraw/zinc/08/00/16/719080016.db2.gz MHQMUFYRGKQFFI-ICSRJNTNSA-N 1 0 413.953 3.067 20 0 HGADRO CC(C)N(C)Cc1nn(C(F)(F)c2cc(Cl)nc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164682345 719606106 /nfs/dbraw/zinc/60/61/06/719606106.db2.gz CNRQICHCOLHSIZ-UHFFFAOYSA-N 1 0 405.280 3.063 20 0 HGADRO Cc1cc(OCc2ccccc2)nc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164679528 719646879 /nfs/dbraw/zinc/64/68/79/719646879.db2.gz FKMKKNNLCWECOP-UHFFFAOYSA-N 1 0 406.534 3.036 20 0 HGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(F)ccn3)CC2)c2ccccc21 ZINC001164682975 719656778 /nfs/dbraw/zinc/65/67/78/719656778.db2.gz UFVOVKPMNOQILT-SFHVURJKSA-N 1 0 410.537 3.314 20 0 HGADRO CCc1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncn1 ZINC001164683471 719678136 /nfs/dbraw/zinc/67/81/36/719678136.db2.gz RXWRYRXZCOSRPO-IBGZPJMESA-N 1 0 421.589 3.132 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(Cl)nc3cc(OC)ccc31)CC2 ZINC001164684434 719717830 /nfs/dbraw/zinc/71/78/30/719717830.db2.gz HCTZLHQWILDMCC-UHFFFAOYSA-N 1 0 402.926 3.078 20 0 HGADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(C(N)=O)cc(Cl)n2)CC3)cs1 ZINC001164691196 719804231 /nfs/dbraw/zinc/80/42/31/719804231.db2.gz FLQWQUVWKQJIEY-UHFFFAOYSA-N 1 0 405.955 3.234 20 0 HGADRO COC(=O)c1cc(OC)cnc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164691921 719806544 /nfs/dbraw/zinc/80/65/44/719806544.db2.gz AOXWGXCDFQFIFV-UHFFFAOYSA-N 1 0 416.547 3.277 20 0 HGADRO CCOC(=O)c1cc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)ncn1 ZINC001164691949 719806844 /nfs/dbraw/zinc/80/68/44/719806844.db2.gz BEPCGPSNVVJOKL-UHFFFAOYSA-N 1 0 401.536 3.053 20 0 HGADRO CCOC(=O)c1ncnc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c1C ZINC001164693063 719809577 /nfs/dbraw/zinc/80/95/77/719809577.db2.gz PLIDOVLMOIQJMX-UHFFFAOYSA-N 1 0 415.563 3.362 20 0 HGADRO CON(C)C(=O)c1cccnc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164691564 719812043 /nfs/dbraw/zinc/81/20/43/719812043.db2.gz HJUUNTNNZRGJQD-UHFFFAOYSA-N 1 0 415.563 3.115 20 0 HGADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)c1 ZINC001164815748 720067904 /nfs/dbraw/zinc/06/79/04/720067904.db2.gz ZJNIZJNLZDQCRP-UWJYYQICSA-N 1 0 407.942 3.096 20 0 HGADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3nnc(Cn4cccc4)n3CC2)nc1 ZINC001164710055 720091186 /nfs/dbraw/zinc/09/11/86/720091186.db2.gz GJROHYWMPONBTD-FQEVSTJZSA-N 1 0 405.550 3.133 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1COC3(C)C)C2 ZINC001164814864 720095476 /nfs/dbraw/zinc/09/54/76/720095476.db2.gz XMSSMMOYBUVHNX-YCRPNKLZSA-N 1 0 406.958 3.080 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)Oc1ccc(Cl)nc1)C2 ZINC001164813197 720095838 /nfs/dbraw/zinc/09/58/38/720095838.db2.gz TUJYGKMTBDLDID-YJBOKZPZSA-N 1 0 401.885 3.344 20 0 HGADRO CCOC(=O)c1ccnc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c1 ZINC001164710035 720097469 /nfs/dbraw/zinc/09/74/69/720097469.db2.gz FZMMDJXRMDCWJA-OAQYLSRUSA-N 1 0 424.545 3.161 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3ccc(OC)cc3nc1Cl)C2 ZINC001164810668 720102035 /nfs/dbraw/zinc/10/20/35/720102035.db2.gz KOLFTNVDDGFFGJ-AOMKIAJQSA-N 1 0 416.953 3.477 20 0 HGADRO CCOC(=O)c1cccc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164716382 720110282 /nfs/dbraw/zinc/11/02/82/720110282.db2.gz KPTQAONKYYZHNL-FQEVSTJZSA-N 1 0 424.545 3.161 20 0 HGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3nc(C)n(C)c3n1)CC2 ZINC001164716106 720118091 /nfs/dbraw/zinc/11/80/91/720118091.db2.gz IYLRZKACRTXLRH-HXUWFJFHSA-N 1 0 420.561 3.179 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3sc(C)nc31)C2 ZINC001164813128 720124422 /nfs/dbraw/zinc/12/44/22/720124422.db2.gz PPJBPLAGXSPWEI-KUHUBIRLSA-N 1 0 407.971 3.233 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3cccc(OC)c31)C2 ZINC001164814374 720124543 /nfs/dbraw/zinc/12/45/43/720124543.db2.gz SDIDVPXIZIUKQK-KSFYIVLOSA-N 1 0 416.953 3.477 20 0 HGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cc(C)[nH]c31)CC2 ZINC001164719113 720124607 /nfs/dbraw/zinc/12/46/07/720124607.db2.gz WHIJLEZBYKDYSS-LJQANCHMSA-N 1 0 406.534 3.169 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccccc3OC)nn1)C2 ZINC001164819875 720170238 /nfs/dbraw/zinc/17/02/38/720170238.db2.gz YVGURGOQVWAGRI-DVECYGJZSA-N 1 0 408.546 3.337 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(-c3ccc(OC)cc3)ncn1)C2 ZINC001164817861 720175662 /nfs/dbraw/zinc/17/56/62/720175662.db2.gz QNHPFGMKNFGVBP-YKSBVNFPSA-N 1 0 408.546 3.337 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)Oc1ccnc(Cl)c1)C2 ZINC001164812741 720196537 /nfs/dbraw/zinc/19/65/37/720196537.db2.gz MBMBCMQRBAEAFR-CRAIPNDOSA-N 1 0 401.885 3.344 20 0 HGADRO COc1ccc2c(ccnc2N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1 ZINC001164814678 720215580 /nfs/dbraw/zinc/21/55/80/720215580.db2.gz WGMUDQTZCDKPOT-UHFFFAOYSA-N 1 0 407.518 3.051 20 0 HGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc3ccc(Cl)cc3n1)CCC2 ZINC001164814094 720226868 /nfs/dbraw/zinc/22/68/68/720226868.db2.gz SWLUMBPGEHLWHQ-UHFFFAOYSA-N 1 0 412.925 3.090 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cccc(Cl)n2)CC1 ZINC001164819624 720289610 /nfs/dbraw/zinc/28/96/10/720289610.db2.gz FIQDCDVMLUMOQK-CVEARBPZSA-N 1 0 412.912 3.191 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cnc3cccc(Cl)c3n2)CC1 ZINC001164822603 720304688 /nfs/dbraw/zinc/30/46/88/720304688.db2.gz NLJOXALTVGJTBL-RBUKOAKNSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2csc3ncnc(Cl)c23)CC1 ZINC001164823777 720311336 /nfs/dbraw/zinc/31/13/36/720311336.db2.gz PQXDJSNCNZLEKH-GJZGRUSLSA-N 1 0 419.982 3.256 20 0 HGADRO CSc1cc(Cl)ncc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821664 720311696 /nfs/dbraw/zinc/31/16/96/720311696.db2.gz LVTUENFEXOKCEW-JKSUJKDBSA-N 1 0 408.999 3.368 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc3ccc(Cl)nc3cn2)CC1 ZINC001164832915 720321659 /nfs/dbraw/zinc/32/16/59/720321659.db2.gz UXMYUBXEJFIVFW-RBUKOAKNSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cccc(OC(C)(C)C)n2)CC1 ZINC001164830238 720323883 /nfs/dbraw/zinc/32/38/83/720323883.db2.gz PGEAZULPZFSCFU-MOPGFXCFSA-N 1 0 400.567 3.170 20 0 HGADRO CCOC(=O)c1c(C)cc(Cl)nc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725921 720363873 /nfs/dbraw/zinc/36/38/73/720363873.db2.gz OEPBAFHQYGLFHE-DLBZAZTESA-N 1 0 400.910 3.468 20 0 HGADRO c1cncc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3c2ccc(-c3ccc4c(c3)OCCO4)nn2)c1 ZINC001164734738 720442885 /nfs/dbraw/zinc/44/28/85/720442885.db2.gz TZXBXDOVVJNCPI-LEWJYISDSA-N 1 0 415.497 3.163 20 0 HGADRO C[NH+](C)Cc1ccnc(N2CCOC[C@@]3(C[C@H](CNc4cccc(F)c4)CO3)C2)c1 ZINC001164729504 720496333 /nfs/dbraw/zinc/49/63/33/720496333.db2.gz RHXSYLSFJMGCFX-AUSIDOKSSA-N 1 0 414.525 3.006 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)ncn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838477 720505866 /nfs/dbraw/zinc/50/58/66/720505866.db2.gz RMAXFOWPEOCFRD-HRCADAONSA-N 1 0 410.900 3.249 20 0 HGADRO COC(=O)c1cnc(Cl)cc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164841234 720508436 /nfs/dbraw/zinc/50/84/36/720508436.db2.gz XYKDAGJROIFUHO-SOLBZPMBSA-N 1 0 417.941 3.096 20 0 HGADRO COC(=O)c1cc(Cl)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164833285 720512333 /nfs/dbraw/zinc/51/23/33/720512333.db2.gz CSFDUCMGNNPBAD-SZVBFZGTSA-N 1 0 417.941 3.096 20 0 HGADRO COC(=O)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncc1Cl ZINC001164839034 720513038 /nfs/dbraw/zinc/51/30/38/720513038.db2.gz RZWUJGGVJDFNQB-JTDSTZFVSA-N 1 0 417.941 3.096 20 0 HGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cnc(Cl)cn3)CC[C@@H]21 ZINC001164832979 720514053 /nfs/dbraw/zinc/51/40/53/720514053.db2.gz CEWQGSAJTCUYOG-PMPSAXMXSA-N 1 0 410.900 3.249 20 0 HGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3nccc(Cl)n3)CC[C@@H]21 ZINC001164840025 720515439 /nfs/dbraw/zinc/51/54/39/720515439.db2.gz VUMIWFLJVKDCFP-PMPSAXMXSA-N 1 0 410.900 3.249 20 0 HGADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncnc3c2ccn3Cc2ccc(F)cc2)C1 ZINC001164726108 720517154 /nfs/dbraw/zinc/51/71/54/720517154.db2.gz ARJIMFJRNNMSKZ-GOSISDBHSA-N 1 0 419.508 3.013 20 0 HGADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc3ccccc3nc2N2CCCCC2)C1 ZINC001164731859 720522839 /nfs/dbraw/zinc/52/28/39/720522839.db2.gz BCEBYAREKNCAOG-SFHVURJKSA-N 1 0 405.550 3.015 20 0 HGADRO COC(=O)c1ccc(-c2ccc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)nc2C)cc1 ZINC001164734220 720522869 /nfs/dbraw/zinc/52/28/69/720522869.db2.gz OFCRHRBYJKHGNM-SFHVURJKSA-N 1 0 419.529 3.238 20 0 HGADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2cc(-c3ccco3)nnc2Cl)C1 ZINC001164734576 720525805 /nfs/dbraw/zinc/52/58/05/720525805.db2.gz QTISXFHQYKYUEZ-ZDUSSCGKSA-N 1 0 422.867 3.329 20 0 HGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4cnccc43)CC[C@@H]21 ZINC001164834911 720527870 /nfs/dbraw/zinc/52/78/70/720527870.db2.gz IFEAFYPKEXZQMK-BXWFABGCSA-N 1 0 411.941 3.253 20 0 HGADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cc(F)ccc2-c2ccc(Cl)nn2)C1 ZINC001164735654 720527937 /nfs/dbraw/zinc/52/79/37/720527937.db2.gz ZTVBDKSRRIGUQF-CQSZACIVSA-N 1 0 400.889 3.331 20 0 HGADRO CCOc1nc(Cl)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164836569 720527951 /nfs/dbraw/zinc/52/79/51/720527951.db2.gz NGFAEHJFVORBAU-IXDOHACOSA-N 1 0 404.946 3.103 20 0 HGADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cncc(OCc3cccc(Cl)c3)n2)C1 ZINC001164733678 720532264 /nfs/dbraw/zinc/53/22/64/720532264.db2.gz FDBDTTYUIDBFFX-QGZVFWFLSA-N 1 0 412.925 3.104 20 0 HGADRO COc1cc2c(cc1F)cc(Cl)nc2N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001164733993 720535699 /nfs/dbraw/zinc/53/56/99/720535699.db2.gz FPKGERIAKKMRHA-CYBMUJFWSA-N 1 0 403.889 3.430 20 0 HGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN([C@@H](F)Oc3cccc(Cl)n3)CC[C@@H]21 ZINC001164836383 720545492 /nfs/dbraw/zinc/54/54/92/720545492.db2.gz JTEQUSWTQGTXOQ-NHAYFPRASA-N 1 0 407.921 3.437 20 0 HGADRO CCOC(=O)/C=C/c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1 ZINC001164838554 720568737 /nfs/dbraw/zinc/56/87/37/720568737.db2.gz OLFNMUDEAJOVRW-XZYYFQSUSA-N 1 0 423.561 3.232 20 0 HGADRO CCOC(=O)c1c(C)ccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164839820 720577947 /nfs/dbraw/zinc/57/79/47/720577947.db2.gz OVUQBVVYQPAMRT-HSALFYBXSA-N 1 0 411.550 3.141 20 0 HGADRO COc1cccc(-c2ccc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nn2)c1 ZINC001164736992 720582672 /nfs/dbraw/zinc/58/26/72/720582672.db2.gz XPNRBPHHCJHULH-UHFFFAOYSA-N 1 0 404.518 3.007 20 0 HGADRO Fc1cccc(F)c1-c1ccc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nn1 ZINC001164736923 720586103 /nfs/dbraw/zinc/58/61/03/720586103.db2.gz VXJPBTONZWDRKK-UHFFFAOYSA-N 1 0 410.472 3.277 20 0 HGADRO Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(-c2ccccn2)n1 ZINC001164840082 720598457 /nfs/dbraw/zinc/59/84/57/720598457.db2.gz OYIPLXHYBHHWRZ-JAXLGGSGSA-N 1 0 417.561 3.421 20 0 HGADRO Cc1noc(-c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc2)n1 ZINC001164838380 720613422 /nfs/dbraw/zinc/61/34/22/720613422.db2.gz KVRSXOOETXUVJT-VAMGGRTRSA-N 1 0 407.522 3.014 20 0 HGADRO Cc1nc(-c2ccncc2)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164838158 720620886 /nfs/dbraw/zinc/62/08/86/720620886.db2.gz KCSMWCVSPKIPAN-QNWVGRARSA-N 1 0 417.561 3.421 20 0 HGADRO CCOC(=O)Cc1cccnc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164841852 720670158 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1 0 402.926 3.399 20 0 HGADRO Cc1cc2nc(Cl)c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2cc1C ZINC001164742340 720726040 /nfs/dbraw/zinc/72/60/40/720726040.db2.gz OEMRUNCMTDEAAR-JKSUJKDBSA-N 1 0 410.909 3.032 20 0 HGADRO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164837939 720738523 /nfs/dbraw/zinc/73/85/23/720738523.db2.gz PCANKVYLCPQEAS-UHFFFAOYSA-N 1 0 414.913 3.213 20 0 HGADRO Cc1nc2sc3c(c2c(N2CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C2)n1)CCCC3 ZINC001164738493 720756564 /nfs/dbraw/zinc/75/65/64/720756564.db2.gz FVDMPTPZSDMJMA-CVEARBPZSA-N 1 0 422.558 3.010 20 0 HGADRO c1ccc(COC[C@@H]2CC[C@@H]3[C@@H](CCN3c3ccc(C[NH+]4CCCC4)cn3)O2)nc1 ZINC001164848928 720777112 /nfs/dbraw/zinc/77/71/12/720777112.db2.gz RAHWSRUNZKGRSI-YTFSRNRJSA-N 1 0 408.546 3.416 20 0 HGADRO Clc1cc(C2CCCCC2)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164752831 720802172 /nfs/dbraw/zinc/80/21/72/720802172.db2.gz ZZZIKJIITDDGBR-SJORKVTESA-N 1 0 414.941 3.310 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CN(Cc4ccncc4)C(=O)[C@@H]3C2)nc1 ZINC001164853577 720813934 /nfs/dbraw/zinc/81/39/34/720813934.db2.gz QOOGRTLWHGJLDY-YPAWHYETSA-N 1 0 405.546 3.118 20 0 HGADRO Cc1sc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1C ZINC001164751993 720814990 /nfs/dbraw/zinc/81/49/90/720814990.db2.gz YJAMETKSJGTDHW-CEXWTWQISA-N 1 0 423.590 3.279 20 0 HGADRO COc1ccc2c(ccnc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164745611 720818743 /nfs/dbraw/zinc/81/87/43/720818743.db2.gz XFAYDYCHIPTMFT-SXWKCWPCSA-N 1 0 418.545 3.214 20 0 HGADRO Cc1nc2ccc(F)cc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164739603 720819822 /nfs/dbraw/zinc/81/98/22/720819822.db2.gz HZAKBKIRGKBFIF-LQBOVUBWSA-N 1 0 421.524 3.048 20 0 HGADRO Cc1nc2cc(F)ccc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164737656 720820308 /nfs/dbraw/zinc/82/03/08/720820308.db2.gz BHBAKFSPIQKXCJ-SFGWALBWSA-N 1 0 421.524 3.048 20 0 HGADRO Cc1nc(Cl)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1C ZINC001164748796 720832159 /nfs/dbraw/zinc/83/21/59/720832159.db2.gz UYCDLQYMXYPZML-CEXWTWQISA-N 1 0 400.958 3.323 20 0 HGADRO Clc1ccnc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ccc12 ZINC001164742981 720834663 /nfs/dbraw/zinc/83/46/63/720834663.db2.gz HQQTUOALANNEQS-SQGPQFPESA-N 1 0 423.952 3.254 20 0 HGADRO CC(C)COc1cccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164748918 720841735 /nfs/dbraw/zinc/84/17/35/720841735.db2.gz VCZCTHRGDJUCDR-PCCBWWKXSA-N 1 0 410.566 3.087 20 0 HGADRO Fc1ccc2cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncc2c1 ZINC001164749564 720850178 /nfs/dbraw/zinc/85/01/78/720850178.db2.gz WELZPMATJQDJFZ-BAGYTPMASA-N 1 0 406.509 3.345 20 0 HGADRO Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C(C)(C)C)n1 ZINC001164744582 720850743 /nfs/dbraw/zinc/85/07/43/720850743.db2.gz KSJJDSIOIPMSOR-XUVXKRRUSA-N 1 0 409.582 3.053 20 0 HGADRO 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ZINC001164866042 721064336 /nfs/dbraw/zinc/06/43/36/721064336.db2.gz BXOAOACGAZETRB-HUUCEWRRSA-N 1 0 401.923 3.219 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)nc5ccc(F)cc54)C[C@@H]3C2)cn1 ZINC001164771191 721084311 /nfs/dbraw/zinc/08/43/11/721084311.db2.gz ROEOECVOWDPORR-GJZGRUSLSA-N 1 0 400.889 3.114 20 0 HGADRO COc1ccc2nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)cc(C)c2c1 ZINC001164867657 721088440 /nfs/dbraw/zinc/08/84/40/721088440.db2.gz ZGMBZBGDLXGTNT-TZIWHRDSSA-N 1 0 404.514 3.427 20 0 HGADRO COc1cc2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2cc1OC ZINC001164865443 721107041 /nfs/dbraw/zinc/10/70/41/721107041.db2.gz LIWYZEOUILINET-UXHICEINSA-N 1 0 420.513 3.127 20 0 HGADRO COc1cc2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2cc1OC ZINC001164865444 721107096 /nfs/dbraw/zinc/10/70/96/721107096.db2.gz LIWYZEOUILINET-VQTJNVASSA-N 1 0 420.513 3.127 20 0 HGADRO COc1ccc2c(C)cc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2c1 ZINC001164867703 721109118 /nfs/dbraw/zinc/10/91/18/721109118.db2.gz ZSJCAQOPPZVOOX-CTNGQTDRSA-N 1 0 404.514 3.427 20 0 HGADRO c1ccc2c(c1)CCc1cnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc1-2 ZINC001164879493 721126347 /nfs/dbraw/zinc/12/63/47/721126347.db2.gz SVBKQWLEVXOFGW-FGZHOGPDSA-N 1 0 413.525 3.117 20 0 HGADRO Fc1cc2ncnc(Cl)c2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164879570 721127681 /nfs/dbraw/zinc/12/76/81/721127681.db2.gz UAVVYXYQOFXPSG-IAGOWNOFSA-N 1 0 413.884 3.297 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(F)cc5ncnc(Cl)c54)C[C@H]3C2)cn1 ZINC001164772349 721180253 /nfs/dbraw/zinc/18/02/53/721180253.db2.gz SQBGDNAVBMXQDL-LSDHHAIUSA-N 1 0 400.889 3.114 20 0 HGADRO FC(F)(Oc1ccnc(Cl)c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164879584 721181958 /nfs/dbraw/zinc/18/19/58/721181958.db2.gz UDIGHNNDKNNTOB-DOTOQJQBSA-N 1 0 410.852 3.034 20 0 HGADRO COc1cc2ccnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2cc1F ZINC001164877583 721184280 /nfs/dbraw/zinc/18/42/80/721184280.db2.gz OUCKOVXRWJXJDC-RBUKOAKNSA-N 1 0 408.477 3.257 20 0 HGADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164774441 721195250 /nfs/dbraw/zinc/19/52/50/721195250.db2.gz ZEUQAYBXZCTTAR-IRXDYDNUSA-N 1 0 402.974 3.428 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(-c5c(F)cccc5F)nn4)C[C@@H]3C2)cn1 ZINC001164771884 721215876 /nfs/dbraw/zinc/21/58/76/721215876.db2.gz RRZFJMUFEABVPG-IRXDYDNUSA-N 1 0 410.472 3.114 20 0 HGADRO Cc1c(Cl)nc(C2CCC2)nc1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164767140 721238509 /nfs/dbraw/zinc/23/85/09/721238509.db2.gz VXDQUJOXNAIMLH-QZTJIDSGSA-N 1 0 400.958 3.398 20 0 HGADRO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164774985 721302291 /nfs/dbraw/zinc/30/22/91/721302291.db2.gz LRHWVIXREBBJRG-UHFFFAOYSA-N 1 0 400.857 3.294 20 0 HGADRO CCN1CC[C@@]2(CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@H]2C)C1=O ZINC001164777293 721317961 /nfs/dbraw/zinc/31/79/61/721317961.db2.gz JNQWZOGNMFFMMW-CLOONOSVSA-N 1 0 404.558 3.335 20 0 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ZINC001164784386 721450306 /nfs/dbraw/zinc/45/03/06/721450306.db2.gz FCKRXFDQXRDIIV-INIZCTEOSA-N 1 0 412.937 3.003 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3c(n1)CCCC3)CC2 ZINC001164789536 721470604 /nfs/dbraw/zinc/47/06/04/721470604.db2.gz NWTHHKSPNYAQQU-OAQYLSRUSA-N 1 0 414.594 3.089 20 0 HGADRO CCCc1nccnc1N1CCC2(C[C@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164786569 721473276 /nfs/dbraw/zinc/47/32/76/721473276.db2.gz BPZRRHNGCOPBBK-HXUWFJFHSA-N 1 0 402.583 3.163 20 0 HGADRO C[N@H+](Cc1ccc(N2CCCC[C@]23CC(=O)N(Cc2cccnc2)C3)nc1)C1CC1 ZINC001164897014 721475740 /nfs/dbraw/zinc/47/57/40/721475740.db2.gz ZLLUETDLSAUSTR-XMMPIXPASA-N 1 0 405.546 3.232 20 0 HGADRO CCOC(=O)c1cnc(Cl)cc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900773 721509440 /nfs/dbraw/zinc/50/94/40/721509440.db2.gz UPMJXLAHOJDIBS-WBVHZDCISA-N 1 0 419.884 3.393 20 0 HGADRO COC(=O)c1cnc(Cl)cc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900260 721510834 /nfs/dbraw/zinc/51/08/34/721510834.db2.gz 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CCOC(=O)c1cnc(C)nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165025089 721807222 /nfs/dbraw/zinc/80/72/22/721807222.db2.gz NNIAAZKOOBOTMR-IOMROCGXSA-N 1 0 409.534 3.094 20 0 HGADRO C[N@H+](Cc1ccc(N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)nc1)C1CC1 ZINC001164916705 721811131 /nfs/dbraw/zinc/81/11/31/721811131.db2.gz ITXWOPNJKNJTLN-SFGWALBWSA-N 1 0 414.575 3.333 20 0 HGADRO c1csc(COC[C@@H]2CC[C@H]3[C@@H]2OCCN3c2ncccc2C[NH+]2CCCC2)n1 ZINC001164919454 721811564 /nfs/dbraw/zinc/81/15/64/721811564.db2.gz XYCDJGKOWHXZOY-IRFCIJBXSA-N 1 0 414.575 3.335 20 0 HGADRO CCOC(=O)Cc1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1 ZINC001165026234 721812766 /nfs/dbraw/zinc/81/27/66/721812766.db2.gz POVUMDWPJYGLKG-BVSLBCMMSA-N 1 0 408.546 3.319 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(C(=O)NC4CC4)cn3)C[C@@H]21 ZINC001165027402 721814311 /nfs/dbraw/zinc/81/43/11/721814311.db2.gz URGGWCZXMYSATC-BVYCBKJFSA-N 1 0 405.546 3.106 20 0 HGADRO 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ZINC001164985716 722105624 /nfs/dbraw/zinc/10/56/24/722105624.db2.gz WGTJXLIJJFZDAL-SJORKVTESA-N 1 0 423.895 3.106 20 0 HGADRO FC(F)(Oc1cccnc1Cl)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164986650 722107023 /nfs/dbraw/zinc/10/70/23/722107023.db2.gz ZYSVZHBNYWUGSX-SJLPKXTDSA-N 1 0 424.879 3.282 20 0 HGADRO Clc1ccc2c(c1)ncnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982132 722109915 /nfs/dbraw/zinc/10/99/15/722109915.db2.gz WCEXXTCXCGMNLJ-DYESRHJHSA-N 1 0 409.921 3.406 20 0 HGADRO Clc1ccc2c(c1)ncnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982140 722110285 /nfs/dbraw/zinc/11/02/85/722110285.db2.gz WCEXXTCXCGMNLJ-UTKZUKDTSA-N 1 0 409.921 3.406 20 0 HGADRO Clc1ccnc2cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncc12 ZINC001164971857 722113823 /nfs/dbraw/zinc/11/38/23/722113823.db2.gz CRRZQASFVTUBEB-UWJYYQICSA-N 1 0 409.921 3.406 20 0 HGADRO CCc1c(Cl)nnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1CC ZINC001164980413 722119647 /nfs/dbraw/zinc/11/96/47/722119647.db2.gz RDBQBYGFHZKXFF-XLIONFOSSA-N 1 0 415.969 3.377 20 0 HGADRO COc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc2ccccc21 ZINC001164984645 722132399 /nfs/dbraw/zinc/13/23/99/722132399.db2.gz YEWRKXCHLXULCP-WMZHIEFXSA-N 1 0 404.514 3.366 20 0 HGADRO COc1ccc2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164974133 722133938 /nfs/dbraw/zinc/13/39/38/722133938.db2.gz CJLGOQXLUZOFCS-REWPJTCUSA-N 1 0 404.514 3.366 20 0 HGADRO Cc1nc(C2CC2)nc(Cl)c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973137 722144511 /nfs/dbraw/zinc/14/45/11/722144511.db2.gz BAPRDOZEDRUVFW-RBUKOAKNSA-N 1 0 413.953 3.438 20 0 HGADRO Cc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(-c2ccco2)n1 ZINC001164983861 722147422 /nfs/dbraw/zinc/14/74/22/722147422.db2.gz VWQMEYOWTNZJAR-CTNGQTDRSA-N 1 0 405.502 3.167 20 0 HGADRO Cc1cc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2cc1C ZINC001164972658 722152509 /nfs/dbraw/zinc/15/25/09/722152509.db2.gz IVMMVXOCEGGQHZ-OFNKIYASSA-N 1 0 403.530 3.369 20 0 HGADRO Fc1ccc(-c2cncc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164971144 722153967 /nfs/dbraw/zinc/15/39/67/722153967.db2.gz AUDYYFGZWJBRDS-REWPJTCUSA-N 1 0 419.504 3.405 20 0 HGADRO CSc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(SC)n1 ZINC001164974787 722156014 /nfs/dbraw/zinc/15/60/14/722156014.db2.gz QLGJLMONQXNIRI-IAGOWNOFSA-N 1 0 417.604 3.043 20 0 HGADRO COC(=O)Cc1c(Cl)ncnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164993996 722197204 /nfs/dbraw/zinc/19/72/04/722197204.db2.gz KKPZFWNJHGMIDU-OAQYLSRUSA-N 1 0 418.900 3.230 20 0 HGADRO CON(C)C(=O)c1cc(C)cnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164993773 722205724 /nfs/dbraw/zinc/20/57/24/722205724.db2.gz BEMMRNIKXOIOOX-HSZRJFAPSA-N 1 0 412.509 3.407 20 0 HGADRO COC(=O)CSc1cncc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993730 722209694 /nfs/dbraw/zinc/20/96/94/722209694.db2.gz AFZWXQYORQQWEA-NRFANRHFSA-N 1 0 416.522 3.126 20 0 HGADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2cc(N4CCSCC4)ncn2)C3)c1 ZINC001164997847 722210999 /nfs/dbraw/zinc/21/09/99/722210999.db2.gz SLCSSIDFCUSMER-JOCHJYFZSA-N 1 0 413.566 3.414 20 0 HGADRO CC(C)CN1c2ccccc2[C@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)CC[C@H]21 ZINC001165003693 722245429 /nfs/dbraw/zinc/24/54/29/722245429.db2.gz LMKVGHMWEPVXSN-IFMALSPDSA-N 1 0 406.578 3.067 20 0 HGADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)nc3cccc(F)c31)CCC2 ZINC001164999957 722252715 /nfs/dbraw/zinc/25/27/15/722252715.db2.gz JZXRDNBWKLLUPX-UHFFFAOYSA-N 1 0 418.904 3.107 20 0 HGADRO Cc1nc2cc(Cl)ccc2c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165001628 722253657 /nfs/dbraw/zinc/25/36/57/722253657.db2.gz DJCYERQFTUTHRX-UHFFFAOYSA-N 1 0 414.941 3.277 20 0 HGADRO C[NH+](C)CCOCc1ncn2c1CN(c1nnc(Cl)c3ccc(F)cc31)CCC2 ZINC001165003853 722257490 /nfs/dbraw/zinc/25/74/90/722257490.db2.gz JRLBRGMQOGFDBB-UHFFFAOYSA-N 1 0 418.904 3.107 20 0 HGADRO Cc1c(Cl)nc(CC(C)C)nc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165004830 722257671 /nfs/dbraw/zinc/25/76/71/722257671.db2.gz VOJONWKCRULSPJ-UHFFFAOYSA-N 1 0 420.989 3.322 20 0 HGADRO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165004391 722258235 /nfs/dbraw/zinc/25/82/35/722258235.db2.gz QUIVMGOCVGXFAS-MRXNPFEDSA-N 1 0 411.554 3.156 20 0 HGADRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccccc1I ZINC000734845546 1126106846 /nfs/dbraw/zinc/10/68/46/1126106846.db2.gz SGUXAQYVKCAWAI-HNNXBMFYSA-N 1 0 406.267 3.466 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)cc1OC ZINC001183684717 1126153395 /nfs/dbraw/zinc/15/33/95/1126153395.db2.gz HGMUEZGKSIROSP-HSZRJFAPSA-N 1 0 401.503 3.432 20 0 HGADRO CCn1c(Br)c(Br)nc1C[NH2+][C@@H](CO)Cc1ccccc1 ZINC001202074561 1126157126 /nfs/dbraw/zinc/15/71/26/1126157126.db2.gz PNPHKZHRFYUJLT-GFCCVEGCSA-N 1 0 417.145 3.121 20 0 HGADRO OC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(F)cc1I ZINC001202233198 1126157197 /nfs/dbraw/zinc/15/71/97/1126157197.db2.gz ISGURMXYEUBDHL-HNNXBMFYSA-N 1 0 403.210 3.263 20 0 HGADRO COCCN(C)c1ccc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)cn1 ZINC001203282674 1126158025 /nfs/dbraw/zinc/15/80/25/1126158025.db2.gz ISDVSLQGUVWJJO-FQEVSTJZSA-N 1 0 422.367 3.010 20 0 HGADRO CCc1oc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)cc1C(=O)OC ZINC001206855661 1126159628 /nfs/dbraw/zinc/15/96/28/1126159628.db2.gz JGNNQWNQQACUFV-IBGZPJMESA-N 1 0 410.308 3.474 20 0 HGADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC001308034268 1126162279 /nfs/dbraw/zinc/16/22/79/1126162279.db2.gz DDGCGJWRIOIMEE-LJQANCHMSA-N 1 0 408.292 3.270 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc3c(cc2Cl)OCCO3)cc1OC ZINC001460867987 1126192813 /nfs/dbraw/zinc/19/28/13/1126192813.db2.gz LDIPDVJJZYSJJW-OAQYLSRUSA-N 1 0 407.894 3.212 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cnc(N(C)C)c3ccccc23)cc1OC ZINC001460873059 1126193517 /nfs/dbraw/zinc/19/35/17/1126193517.db2.gz WNXOPCHPOPHQJF-XMMPIXPASA-N 1 0 409.530 3.401 20 0 HGADRO Cc1c(O)ccc2c(C[NH2+][C@@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)cc(=O)oc12 ZINC001460697514 1126191856 /nfs/dbraw/zinc/19/18/56/1126191856.db2.gz RXKGCRAYSLBRMQ-OXJNMPFZSA-N 1 0 407.388 3.431 20 0 HGADRO COc1nsc(C[NH2+][C@@](C)(CO)Cc2ccc(OC)cc2)c1Br ZINC001461737144 1126196830 /nfs/dbraw/zinc/19/68/30/1126196830.db2.gz ULZDRCWBTLCRSU-MRXNPFEDSA-N 1 0 401.326 3.006 20 0 HGADRO COc1ccc(OC)c(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC001461630147 1126195462 /nfs/dbraw/zinc/19/54/62/1126195462.db2.gz HYPIUJOGRABVMO-FQEVSTJZSA-N 1 0 406.320 3.476 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(Cl)c(OC)c(OC)c2)cc1OC ZINC001461735054 1126196667 /nfs/dbraw/zinc/19/66/67/1126196667.db2.gz KECFZGJLLIFFDM-NRFANRHFSA-N 1 0 409.910 3.458 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nccc(C)c2Br)cc1OC ZINC001474257728 1126204073 /nfs/dbraw/zinc/20/40/73/1126204073.db2.gz MKMGVPLFLUNUJR-IBGZPJMESA-N 1 0 409.324 3.253 20 0 HGADRO CC(C)(C)OC(=O)N1CCc2c(C[NH2+][C@@H](CO)Cc3ccc(O)cc3)cccc2C1 ZINC001474438904 1126204406 /nfs/dbraw/zinc/20/44/06/1126204406.db2.gz LVCOZJRXINMZEA-HXUWFJFHSA-N 1 0 412.530 3.379 20 0 HGADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC001560548703 1126212751 /nfs/dbraw/zinc/21/27/51/1126212751.db2.gz YGJLCQLZVIYSSN-LJQANCHMSA-N 1 0 401.308 3.113 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(Br)c(O)c(OC)c2)cc1 ZINC001560580132 1126213443 /nfs/dbraw/zinc/21/34/43/1126213443.db2.gz LJQRUOPVRJYPKE-IBGZPJMESA-N 1 0 410.308 3.255 20 0 HGADRO Brc1cc(C[NH2+]CCN2CCOCC2)ccc1OCc1ccccc1 ZINC000020477788 558374504 /nfs/dbraw/zinc/37/45/04/558374504.db2.gz VRNFAZYHOIOPKP-UHFFFAOYSA-N 1 0 405.336 3.450 20 0 HGADRO COc1c(Br)cc(C[NH2+]CCCN2CCOCC2)cc1Br ZINC000020967615 568460852 /nfs/dbraw/zinc/46/08/52/568460852.db2.gz JVSKKDLIBPHLSM-UHFFFAOYSA-N 1 0 422.161 3.032 20 0 HGADRO O=C1CN(C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)CC2(CC[NH2+]CC2)N1 ZINC001164393761 718810060 /nfs/dbraw/zinc/81/00/60/718810060.db2.gz WCQXLUWRCUTCDF-UHFFFAOYSA-N 1 0 412.912 3.386 20 0 HGADRO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CCO[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001164407049 718861697 /nfs/dbraw/zinc/86/16/97/718861697.db2.gz VXCFURQLZDYSJV-YGRLFVJLSA-N 1 0 403.260 3.296 20 0 HGADRO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CCO[C@H]2C[NH2+]CC[C@H]2C1 ZINC001164406500 718862227 /nfs/dbraw/zinc/86/22/27/718862227.db2.gz UTWXEJRUYSJRJQ-HZMBPMFUSA-N 1 0 403.260 3.296 20 0 HGADRO F[C@]1(N2CC[C@@H]3[NH2+]CC[C@H]32)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164410993 718874893 /nfs/dbraw/zinc/87/48/93/718874893.db2.gz KVLWKYNTHOASHN-YRNRMSPPSA-N 1 0 422.335 3.358 20 0 HGADRO [NH3+][C@]12C[C@H]1CCN(c1nc(CN3CCOCC3)nc3scc(-c4ccccc4)c31)C2 ZINC001164420697 718896294 /nfs/dbraw/zinc/89/62/94/718896294.db2.gz NEVSTTQRMIIECP-HXOBKFHXSA-N 1 0 421.570 3.118 20 0 HGADRO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1C[C@@H]2[NH2+]Cc3ccccc3[C@@H]2C1 ZINC001164430421 718947827 /nfs/dbraw/zinc/94/78/27/718947827.db2.gz UUCJQVDUKNOXNC-HOTGVXAUSA-N 1 0 408.836 3.448 20 0 HGADRO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001164427908 718948114 /nfs/dbraw/zinc/94/81/14/718948114.db2.gz HARHIRXFZRAXPG-QWHCGFSZSA-N 1 0 407.877 3.446 20 0 HGADRO Cc1nc2c(n1-c1nc(CN3CCCCC3)nc3sc(C)c(C)c31)CC[NH2+]CC2 ZINC001164430724 718949503 /nfs/dbraw/zinc/94/95/03/718949503.db2.gz XCUWMYUQKLGQNJ-UHFFFAOYSA-N 1 0 410.591 3.476 20 0 HGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccnc(Cl)c1)C2 ZINC001164615600 719006958 /nfs/dbraw/zinc/00/69/58/719006958.db2.gz JCMBFCCMNAEJCK-HNAYVOBHSA-N 1 0 413.896 3.429 20 0 HGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)c(-c2cccnc2)c1 ZINC001164617212 719019112 /nfs/dbraw/zinc/01/91/12/719019112.db2.gz NAQUXSIDZBOMPA-XOKHGSTOSA-N 1 0 422.863 3.072 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4c3CSCC4)CC2)CC1 ZINC001164614211 719022823 /nfs/dbraw/zinc/02/28/23/719022823.db2.gz PSIQYZONBWFAFB-UHFFFAOYSA-N 1 0 424.998 3.163 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4nc(SC)sc43)CC2)CC1 ZINC001164618024 719029241 /nfs/dbraw/zinc/02/92/41/719029241.db2.gz UNBHJRWJDCGQKV-UHFFFAOYSA-N 1 0 421.592 3.052 20 0 HGADRO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)n1 ZINC001164618297 719044555 /nfs/dbraw/zinc/04/45/55/719044555.db2.gz ALGMYJUDZWRNBP-BEFAXECRSA-N 1 0 407.896 3.324 20 0 HGADRO CN(C)c1cc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc(Cl)n1 ZINC001164628725 719048954 /nfs/dbraw/zinc/04/89/54/719048954.db2.gz ZMUSTPVTYOOQDG-BEFAXECRSA-N 1 0 407.896 3.324 20 0 HGADRO CCOC(=O)c1cnc(SC)nc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164620927 719054142 /nfs/dbraw/zinc/05/41/42/719054142.db2.gz HJFBVDNSOQFLMN-MJGOQNOKSA-N 1 0 412.559 3.476 20 0 HGADRO COc1ccc2nc(C(F)(F)N3C[C@H](CF)[C@@H](C4([NH3+])CC4)C3)nc(Cl)c2c1 ZINC001164620668 719123664 /nfs/dbraw/zinc/12/36/64/719123664.db2.gz JHYMXSKCVRQYTP-GWCFXTLKSA-N 1 0 400.832 3.350 20 0 HGADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(-c4cccnc4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC000301684046 719434179 /nfs/dbraw/zinc/43/41/79/719434179.db2.gz WIDIEGFCNZTWRM-IAGOWNOFSA-N 1 0 407.543 3.151 20 0 HGADRO CC(C)N(C)Cc1nn(-c2nccnc2C2SCCCS2)c2c1CC[NH2+]C2 ZINC001164683922 719614134 /nfs/dbraw/zinc/61/41/34/719614134.db2.gz LMLNUQCLJMOAHL-UHFFFAOYSA-N 1 0 404.609 3.017 20 0 HGADRO Cc1cc(C)nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164684590 719656437 /nfs/dbraw/zinc/65/64/37/719656437.db2.gz YEVSVJGLILRQOK-FQEVSTJZSA-N 1 0 421.589 3.187 20 0 HGADRO COc1cccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680021 719660834 /nfs/dbraw/zinc/66/08/34/719660834.db2.gz CLHQGWQKADRLLD-LJQANCHMSA-N 1 0 422.573 3.184 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1ccc(Cl)c(Cl)n1)CC2 ZINC001164687328 719717180 /nfs/dbraw/zinc/71/71/80/719717180.db2.gz WDUMNTBUKQNHTB-UHFFFAOYSA-N 1 0 407.292 3.114 20 0 HGADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)ccc2C(N)=O)CC3)cs1 ZINC001164692899 719809180 /nfs/dbraw/zinc/80/91/80/719809180.db2.gz NNMQKTDORAWKLF-UHFFFAOYSA-N 1 0 405.955 3.234 20 0 HGADRO COc1cnc(SC)nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164696111 719887465 /nfs/dbraw/zinc/88/74/65/719887465.db2.gz XMPPJAYLMCPSSY-UHFFFAOYSA-N 1 0 406.577 3.140 20 0 HGADRO CCOC(=O)c1cnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(C)c1 ZINC001164695704 719889812 /nfs/dbraw/zinc/88/98/12/719889812.db2.gz RSLBVHNWFPFKPT-UHFFFAOYSA-N 1 0 415.559 3.500 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C(=O)OC(C)(C)C)ccn1)C2 ZINC001164811291 720081848 /nfs/dbraw/zinc/08/18/48/720081848.db2.gz NSLSEFQSRJTTHA-WMZHIEFXSA-N 1 0 401.551 3.222 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)Oc1cccnc1Cl)C2 ZINC001164807381 720090303 /nfs/dbraw/zinc/09/03/03/720090303.db2.gz FHPIEFBFZQBZJG-CRAIPNDOSA-N 1 0 401.885 3.344 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)Oc1ccc(Cl)nc1)C2 ZINC001164813192 720094964 /nfs/dbraw/zinc/09/49/64/720094964.db2.gz TUJYGKMTBDLDID-CRAIPNDOSA-N 1 0 401.885 3.344 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1COC3(C)C)C2 ZINC001164814863 720095728 /nfs/dbraw/zinc/09/57/28/720095728.db2.gz XMSSMMOYBUVHNX-VFNWGFHPSA-N 1 0 406.958 3.080 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc(-c3ccccc3)n1)C2 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Cc1cc(Cl)nc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164900056 721512395 /nfs/dbraw/zinc/51/23/95/721512395.db2.gz NQCNVSLLAOMYIB-GOEBONIOSA-N 1 0 412.843 3.464 20 0 HGADRO COc1cc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2cc1OC ZINC001164900993 721520061 /nfs/dbraw/zinc/52/00/61/721520061.db2.gz VLUKZVTXLUJMKL-WMZOPIPTSA-N 1 0 424.476 3.128 20 0 HGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(=O)OC(C)(C)C)ccn2)[C@@H]2CCCO[C@@H]12 ZINC001164807757 721534483 /nfs/dbraw/zinc/53/44/83/721534483.db2.gz RCPTUJDRURRIGY-KCZVDYSFSA-N 1 0 424.545 3.300 20 0 HGADRO COc1cc2ncnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2c(OC)c1 ZINC001164903454 721538558 /nfs/dbraw/zinc/53/85/58/721538558.db2.gz CRPOTYRRGPBHER-QFBILLFUSA-N 1 0 424.476 3.128 20 0 HGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2CCCC3)[C@@H]2CCCO[C@H]12 ZINC001164799880 721538577 /nfs/dbraw/zinc/53/85/77/721538577.db2.gz BOXOOSUBTLDUDZ-AQNXPRMDSA-N 1 0 413.953 3.272 20 0 HGADRO Cc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc(-c2ccncc2)n1 ZINC001164903176 721551742 /nfs/dbraw/zinc/55/17/42/721551742.db2.gz BHXZKYHBLIYUKN-FPOVZHCZSA-N 1 0 405.477 3.328 20 0 HGADRO CC1CCN(c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)CC1 ZINC001164911655 721555498 /nfs/dbraw/zinc/55/54/98/721555498.db2.gz ZKJCFWBXWLRIKU-CTNGQTDRSA-N 1 0 411.525 3.194 20 0 HGADRO C[C@@H]1CCCN(c2cc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)ncn2)C1 ZINC001164910849 721559860 /nfs/dbraw/zinc/55/98/60/721559860.db2.gz XLHRHYQOFLERPI-YFVAEKQCSA-N 1 0 411.525 3.194 20 0 HGADRO C[C@@H]1CCCN(c2cc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)ncn2)C1 ZINC001164910829 721559921 /nfs/dbraw/zinc/55/99/21/721559921.db2.gz XLHRHYQOFLERPI-LMNJBCLMSA-N 1 0 411.525 3.194 20 0 HGADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cncc(N5CCCCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164903543 721560404 /nfs/dbraw/zinc/56/04/04/721560404.db2.gz CCYWJVDAFZZQBQ-TZIWHRDSSA-N 1 0 411.525 3.338 20 0 HGADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)CC[N@@H+]3C2)c1 ZINC001164910445 721562536 /nfs/dbraw/zinc/56/25/36/721562536.db2.gz WZIMIDPETLMIQL-AZUAARDMSA-N 1 0 421.476 3.490 20 0 HGADRO CCOC(=O)c1cccnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906184 721585399 /nfs/dbraw/zinc/58/53/99/721585399.db2.gz LXROPWUNEIZORS-OAQYLSRUSA-N 1 0 416.472 3.391 20 0 HGADRO CCOC(=O)c1cccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908234 721697609 /nfs/dbraw/zinc/69/76/09/721697609.db2.gz YDMRXFQYQDSNLC-NRFANRHFSA-N 1 0 416.472 3.391 20 0 HGADRO CC(=O)Nc1cccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164904814 721703968 /nfs/dbraw/zinc/70/39/68/721703968.db2.gz DFLVCVLEQVXRBA-FQEVSTJZSA-N 1 0 401.461 3.173 20 0 HGADRO COC(=O)c1cnc(Cl)nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165021352 721801168 /nfs/dbraw/zinc/80/11/68/721801168.db2.gz GKZKFUJGXLZJGX-JCGIZDLHSA-N 1 0 415.925 3.049 20 0 HGADRO COC(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165028554 721801266 /nfs/dbraw/zinc/80/12/66/721801266.db2.gz ZGXJLTWEKZPDDF-QILLFSRXSA-N 1 0 415.925 3.049 20 0 HGADRO COC(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165028559 721801331 /nfs/dbraw/zinc/80/13/31/721801331.db2.gz ZGXJLTWEKZPDDF-ZVZYQTTQSA-N 1 0 415.925 3.049 20 0 HGADRO COC(=O)c1cnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1OC ZINC001165023946 721803469 /nfs/dbraw/zinc/80/34/69/721803469.db2.gz KJSZWJQYTCNXMD-DBVUQKKJSA-N 1 0 410.518 3.009 20 0 HGADRO Cn1c(=O)ccc2ccc(N3C[C@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc21 ZINC001165021621 721813231 /nfs/dbraw/zinc/81/32/31/721813231.db2.gz FHKIIPGWRASELY-HMXCVIKNSA-N 1 0 403.530 3.065 20 0 HGADRO CCCNC(=O)c1cccnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165023270 721823477 /nfs/dbraw/zinc/82/34/77/721823477.db2.gz IMXAZXIJSKTLAU-YUXAGFNASA-N 1 0 407.562 3.353 20 0 HGADRO COC(=O)c1nc(Cl)cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165030221 721827461 /nfs/dbraw/zinc/82/74/61/721827461.db2.gz ZBGWZNQREUUBBB-UAGQMJEPSA-N 1 0 415.925 3.049 20 0 HGADRO COCCOC(=O)c1ccnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165027763 721829641 /nfs/dbraw/zinc/82/96/41/721829641.db2.gz TZULBGIICKBEJT-BVSLBCMMSA-N 1 0 424.545 3.017 20 0 HGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(Cl)nc(N(C)C)n2)CC1 ZINC001165017392 721837599 /nfs/dbraw/zinc/83/75/99/721837599.db2.gz LFZLUTZNABUWQE-UHFFFAOYSA-N 1 0 419.957 3.314 20 0 HGADRO CCOC(=O)c1ccnc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c1 ZINC001165022441 721838406 /nfs/dbraw/zinc/83/84/06/721838406.db2.gz SOTCIAOBBBXZSS-UHFFFAOYSA-N 1 0 413.518 3.376 20 0 HGADRO COc1cc(OC)nc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c1 ZINC001165020499 721840860 /nfs/dbraw/zinc/84/08/60/721840860.db2.gz JUUJRJQYFOBJCY-UHFFFAOYSA-N 1 0 401.507 3.217 20 0 HGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cncc(OC(C)C)n2)CC1 ZINC001165021236 721843907 /nfs/dbraw/zinc/84/39/07/721843907.db2.gz IWXIEAYUHUEOOV-UHFFFAOYSA-N 1 0 400.523 3.382 20 0 HGADRO COc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)cc1 ZINC001164929641 721888736 /nfs/dbraw/zinc/88/87/36/721888736.db2.gz BXDWRBCPILXAAR-QZTJIDSGSA-N 1 0 417.941 3.146 20 0 HGADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)nc5c4COC5)CC3)C2)cc1 ZINC001164941052 721923596 /nfs/dbraw/zinc/92/35/96/721923596.db2.gz ZVQXZQCHYFGINY-UHFFFAOYSA-N 1 0 414.937 3.340 20 0 HGADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)nc(Cl)n4)CC3)C2)cc1 ZINC001164941029 721924041 /nfs/dbraw/zinc/92/40/41/721924041.db2.gz ZAFOKVVSUWEMPX-UHFFFAOYSA-N 1 0 408.333 3.358 20 0 HGADRO CCOC(=O)c1ncnc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1C ZINC001164939343 721927385 /nfs/dbraw/zinc/92/73/85/721927385.db2.gz JHGFRZVJVZPRRR-UHFFFAOYSA-N 1 0 424.545 3.142 20 0 HGADRO COCc1cc(N2CC[NH+](CCOc3ccccc3)CC2)nc(-c2ccccc2)n1 ZINC001165041930 721953001 /nfs/dbraw/zinc/95/30/01/721953001.db2.gz CHUJUHVJTIZJEK-UHFFFAOYSA-N 1 0 404.514 3.491 20 0 HGADRO COc1cc2nc(C)nc(N3CC[NH+](CCOc4ccccc4)CC3)c2cc1OC ZINC001165045444 721956304 /nfs/dbraw/zinc/95/63/04/721956304.db2.gz UTPWQDCVPBATJJ-UHFFFAOYSA-N 1 0 408.502 3.156 20 0 HGADRO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCCC[C@H]3CC[NH+]3CCCC3)nn2)C1 ZINC001165047393 721975700 /nfs/dbraw/zinc/97/57/00/721975700.db2.gz GBCHIFBQYLWTJB-UXHICEINSA-N 1 0 415.582 3.101 20 0 HGADRO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCCC[C@H]2CC[NH+]2CCCC2)nc1 ZINC001165048710 721976111 /nfs/dbraw/zinc/97/61/11/721976111.db2.gz KRHWMINKMROAGV-OALUTQOASA-N 1 0 408.612 3.393 20 0 HGADRO CCOC(=O)c1cnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c(OC)c1 ZINC001164955505 722019427 /nfs/dbraw/zinc/01/94/27/722019427.db2.gz JSFQZKGBWZPFIJ-UHFFFAOYSA-N 1 0 410.518 3.154 20 0 HGADRO Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(c2cc(C[NH+](C)C)ccn2)C3)n1 ZINC001164962725 722027326 /nfs/dbraw/zinc/02/73/26/722027326.db2.gz ROBZAFYRYYSJSJ-VWNXMTODSA-N 1 0 410.562 3.439 20 0 HGADRO COc1ccc2ncnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2c1 ZINC001164958936 722054089 /nfs/dbraw/zinc/05/40/89/722054089.db2.gz HWKCHROKUCYRKQ-UHFFFAOYSA-N 1 0 419.529 3.152 20 0 HGADRO Clc1nc2cccnc2nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963251 722055511 /nfs/dbraw/zinc/05/55/11/722055511.db2.gz JURGPJVGEFOXFK-UHFFFAOYSA-N 1 0 424.936 3.192 20 0 HGADRO COc1cc(Cl)cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164963859 722055937 /nfs/dbraw/zinc/05/59/37/722055937.db2.gz OOQCLJAULYWRAT-UHFFFAOYSA-N 1 0 402.926 3.258 20 0 HGADRO c1cncc(-c2nccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n2)c1 ZINC001164963146 722057089 /nfs/dbraw/zinc/05/70/89/722057089.db2.gz HPCFWBZYPLPKND-UHFFFAOYSA-N 1 0 416.529 3.053 20 0 HGADRO O=C1NCc2ccccc2CC12CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164967389 722078484 /nfs/dbraw/zinc/07/84/84/722078484.db2.gz DBJKYGLEIPSGKS-UHFFFAOYSA-N 1 0 420.557 3.015 20 0 HGADRO CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](C(C)(C)c3ccnc(Cl)c3)CC[C@@H]21 ZINC001164970767 722081401 /nfs/dbraw/zinc/08/14/01/722081401.db2.gz RLUQSBMMLFKMLP-NEWSRXKRSA-N 1 0 401.942 3.178 20 0 HGADRO c1ccc(OCc2noc3c2CN(c2cccc(OCC[NH+]4CCCC4)n2)CC3)nc1 ZINC001164969372 722083086 /nfs/dbraw/zinc/08/30/86/722083086.db2.gz NUBYSBARXHQSKY-UHFFFAOYSA-N 1 0 421.501 3.081 20 0 HGADRO FC(F)(c1cccc(Cl)n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983409 722100679 /nfs/dbraw/zinc/10/06/79/722100679.db2.gz PYVPYQKCSVHCAO-SJORKVTESA-N 1 0 408.880 3.402 20 0 HGADRO Cc1cc(Cl)nc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164977247 722101709 /nfs/dbraw/zinc/10/17/09/722101709.db2.gz FKEPTOAWBBMNOF-DLBZAZTESA-N 1 0 423.895 3.106 20 0 HGADRO c1ccc(Oc2cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncn2)cc1 ZINC001164979355 722105720 /nfs/dbraw/zinc/10/57/20/722105720.db2.gz ICNDKDLLEBSEER-UNMCSNQZSA-N 1 0 417.513 3.391 20 0 HGADRO COc1ccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ccc2c1 ZINC001164971936 722109637 /nfs/dbraw/zinc/10/96/37/722109637.db2.gz DUHCXFKFPVORPT-OFNKIYASSA-N 1 0 404.514 3.366 20 0 HGADRO Clc1ccc2ncc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2c1 ZINC001164981083 722112725 /nfs/dbraw/zinc/11/27/25/722112725.db2.gz SKLVFPHLHRQPSB-LAUBAEHRSA-N 1 0 409.921 3.406 20 0 HGADRO Clc1ccc2c(cnnc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164981167 722121344 /nfs/dbraw/zinc/12/13/44/722121344.db2.gz TZMGALLBHGFTCJ-UWJYYQICSA-N 1 0 409.921 3.406 20 0 HGADRO Clc1ccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncc2c1 ZINC001164978158 722122745 /nfs/dbraw/zinc/12/27/45/722122745.db2.gz NQRBQGKZUNNZGO-DYESRHJHSA-N 1 0 409.921 3.406 20 0 HGADRO CCOc1ccc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981168 722124870 /nfs/dbraw/zinc/12/48/70/722124870.db2.gz UADDAZHNWPJOSI-HKUYNNGSSA-N 1 0 402.926 3.256 20 0 HGADRO CCCN(CCC)c1cncc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983833 722131181 /nfs/dbraw/zinc/13/11/81/722131181.db2.gz VNEPVHRWHPIXTC-VXKWHMMOSA-N 1 0 424.593 3.225 20 0 HGADRO c1ccc(-c2cnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cn2)cc1 ZINC001164978020 722140560 /nfs/dbraw/zinc/14/05/60/722140560.db2.gz JDTVVWJOZZOWFH-GMAHTHKFSA-N 1 0 401.514 3.266 20 0 HGADRO c1ccc(-c2cnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cn2)cc1 ZINC001164978022 722140911 /nfs/dbraw/zinc/14/09/11/722140911.db2.gz JDTVVWJOZZOWFH-JTHBVZDNSA-N 1 0 401.514 3.266 20 0 HGADRO Fc1ccc(-c2cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncn2)cc1 ZINC001164984625 722144481 /nfs/dbraw/zinc/14/44/81/722144481.db2.gz XXBFVXASIFJYAM-OFNKIYASSA-N 1 0 419.504 3.405 20 0 HGADRO CSc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(SC)n1 ZINC001164974786 722156308 /nfs/dbraw/zinc/15/63/08/722156308.db2.gz QLGJLMONQXNIRI-DLBZAZTESA-N 1 0 417.604 3.043 20 0 HGADRO COC(=O)Cc1c(Cl)ncnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164993995 722197326 /nfs/dbraw/zinc/19/73/26/722197326.db2.gz KKPZFWNJHGMIDU-NRFANRHFSA-N 1 0 418.900 3.230 20 0 HGADRO COCCOC(=O)c1ccnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164995726 722212194 /nfs/dbraw/zinc/21/21/94/722212194.db2.gz KEWDMBXLAMHOGZ-QHCPKHFHSA-N 1 0 413.493 3.269 20 0 HGADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)nc3ccc(F)cc31)CCC2 ZINC001165000266 722250935 /nfs/dbraw/zinc/25/09/35/722250935.db2.gz NNORGOBVWBXOJN-UHFFFAOYSA-N 1 0 418.904 3.107 20 0 HGADRO Cc1cc(Cl)nc(C(F)(F)N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1 ZINC001165002897 722254384 /nfs/dbraw/zinc/25/43/84/722254384.db2.gz WPHNRUXAQWHUAG-UHFFFAOYSA-N 1 0 413.900 3.273 20 0 HGADRO CC[C@H](C)c1nc2[nH]ccc2c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165004388 722258218 /nfs/dbraw/zinc/25/82/18/722258218.db2.gz QUIVMGOCVGXFAS-INIZCTEOSA-N 1 0 411.554 3.156 20 0 HGADRO Nc1c(Br)cc(Br)cc1C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000482499128 1126094922 /nfs/dbraw/zinc/09/49/22/1126094922.db2.gz CUJQBHPIJFKWPU-CQSZACIVSA-N 1 0 414.141 3.487 20 0 HGADRO COC(=O)c1ccc(-c2nc(C[NH2+][C@](C)(CO)Cc3ccccc3OC)co2)cc1 ZINC001197303267 1126154061 /nfs/dbraw/zinc/15/40/61/1126154061.db2.gz CBBVLILSHQWIEW-QHCPKHFHSA-N 1 0 410.470 3.220 20 0 HGADRO COC(=O)COc1ccc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)cc1 ZINC001308887224 1126168557 /nfs/dbraw/zinc/16/85/57/1126168557.db2.gz UQGFSNIRRXRNIN-FQEVSTJZSA-N 1 0 422.319 3.084 20 0 HGADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC001308885425 1126168631 /nfs/dbraw/zinc/16/86/31/1126168631.db2.gz CVWZQJKZBSJQJJ-FQEVSTJZSA-N 1 0 404.873 3.152 20 0 HGADRO COc1cc2c(cc1C[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1)OCO2 ZINC001474227524 1126203620 /nfs/dbraw/zinc/20/36/20/1126203620.db2.gz YGMQOLVIQOVGAE-LJQANCHMSA-N 1 0 408.292 3.270 20 0 HGADRO OC[C@]1([NH2+]Cc2ccc(-n3cncn3)cc2)CCc2cc(Br)ccc2C1 ZINC001560531914 1126211585 /nfs/dbraw/zinc/21/15/85/1126211585.db2.gz BRBTVWYENXRFGC-FQEVSTJZSA-N 1 0 413.319 3.039 20 0 HGADRO COC(=O)c1cccc2c(C[NH2+][C@@](C)(CO)Cc3ccc(OC)c(OC)c3)ccnc12 ZINC001560998065 1126214514 /nfs/dbraw/zinc/21/45/14/1126214514.db2.gz MGQCYQMGCNZGRJ-XMMPIXPASA-N 1 0 424.497 3.122 20 0 HGADRO CCCOc1c(Cl)cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1OC ZINC000020931537 558424137 /nfs/dbraw/zinc/42/41/37/558424137.db2.gz FWUBJWCTIVMFBC-UHFFFAOYSA-N 1 0 412.939 3.117 20 0 HGADRO CCS(=O)(=O)c1cc(C(F)(F)N2CCC3(CCCC[NH2+]3)CC2)cnc1Cl ZINC001164386663 718803958 /nfs/dbraw/zinc/80/39/58/718803958.db2.gz CHKUFTJUFMCHQR-UHFFFAOYSA-N 1 0 407.914 3.186 20 0 HGADRO FC(F)(F)[C@H]1N(C(F)(F)c2cc(Cl)nc(=S)[nH]2)CCC12CC[NH2+]CC2 ZINC001164387316 718814993 /nfs/dbraw/zinc/81/49/93/718814993.db2.gz FNMOHNLDMUHYIU-JTQLQIEISA-N 1 0 402.820 3.474 20 0 HGADRO FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1CC[C@H]2[NH2+]CCO[C@@H]2C1 ZINC001164389368 718825479 /nfs/dbraw/zinc/82/54/79/718825479.db2.gz HZNDTRQILVSFPR-QZTJIDSGSA-N 1 0 409.864 3.426 20 0 HGADRO Fc1ccc(-c2cc(C(F)(F)N3CCO[C@H]4C[NH2+]CC[C@H]4C3)c(Cl)nn2)cc1 ZINC001164407932 718865937 /nfs/dbraw/zinc/86/59/37/718865937.db2.gz LBADOJGBFHUTCF-GUYCJALGSA-N 1 0 412.843 3.296 20 0 HGADRO COc1nc(Cl)ncc1C(F)(F)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164413533 718880923 /nfs/dbraw/zinc/88/09/23/718880923.db2.gz JMCMATQCWYHHHZ-SNVBAGLBSA-N 1 0 400.779 3.337 20 0 HGADRO CCS(=O)(=O)c1cc(C(F)(F)N2CCCC[C@@H]2C2CC[NH2+]CC2)cnc1Cl ZINC001164422995 718893776 /nfs/dbraw/zinc/89/37/76/718893776.db2.gz ZOHDEJQVKXUXLA-OAHLLOKOSA-N 1 0 421.941 3.432 20 0 HGADRO CCOC(=O)[C@@]12CCO[C@@H]1CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164432023 718974476 /nfs/dbraw/zinc/97/44/76/718974476.db2.gz DUCBTJSQKPIJRF-RCZVLFRGSA-N 1 0 421.541 3.188 20 0 HGADRO F[C@]1(N2CCC[C@H]3[NH2+]C[C@@H]32)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164447218 718997702 /nfs/dbraw/zinc/99/77/02/718997702.db2.gz BNANGIMMYXTVCK-GUXCAODWSA-N 1 0 422.335 3.358 20 0 HGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cccc(Cl)n1)C2 ZINC001164616693 719006646 /nfs/dbraw/zinc/00/66/46/719006646.db2.gz LHFCPIVTLGQUFG-KUHUBIRLSA-N 1 0 413.896 3.429 20 0 HGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN([C@H](F)Oc1ccnc(Cl)c1)C2 ZINC001164616646 719008276 /nfs/dbraw/zinc/00/82/76/719008276.db2.gz LFXOORQKEHBKNJ-BPAFIMBUSA-N 1 0 411.905 3.012 20 0 HGADRO CCOC(=O)c1cnc(Cl)cc1N1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001164617777 719021595 /nfs/dbraw/zinc/02/15/95/719021595.db2.gz PNOWADZXTXYVGM-UHFFFAOYSA-N 1 0 423.941 3.156 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(Cl)nc(C)n3)CC2)CC1 ZINC001164614724 719023229 /nfs/dbraw/zinc/02/32/29/719023229.db2.gz XJXQIUKBCIYTCU-UHFFFAOYSA-N 1 0 416.900 3.227 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4c3COC4(C)C)CC2)CC1 ZINC001164613940 719024110 /nfs/dbraw/zinc/02/41/10/719024110.db2.gz KJWRLSMDVTZGAF-UHFFFAOYSA-N 1 0 422.957 3.139 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4sc(C)nc43)CC2)CC1 ZINC001164617079 719028157 /nfs/dbraw/zinc/02/81/57/719028157.db2.gz KDROGPRNXRPJCP-UHFFFAOYSA-N 1 0 423.970 3.292 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(-c4cccs4)nn3)CC2)CC1 ZINC001164617852 719028501 /nfs/dbraw/zinc/02/85/01/719028501.db2.gz QAHLRLIIJHIECV-UHFFFAOYSA-N 1 0 400.548 3.449 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nccc(-c4cccc(OC)c4)n3)CC2)CC1 ZINC001164616426 719029422 /nfs/dbraw/zinc/02/94/22/719029422.db2.gz DUVIISHPYOSGAA-UHFFFAOYSA-N 1 0 424.545 3.396 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cnc(Cl)c(N)c3)CC2)CC1 ZINC001164617549 719030830 /nfs/dbraw/zinc/03/08/30/719030830.db2.gz OIBHSRBVBLPWKH-UHFFFAOYSA-N 1 0 416.900 3.106 20 0 HGADRO FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164626093 719048305 /nfs/dbraw/zinc/04/83/05/719048305.db2.gz QNXJIYSPLBRGSB-FZKQIMNGSA-N 1 0 404.852 3.086 20 0 HGADRO CCOC(=O)c1c[nH]c2ncnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c12 ZINC001164624929 719066582 /nfs/dbraw/zinc/06/65/82/719066582.db2.gz MACWEWALEXCXHD-PKOBYXMFSA-N 1 0 405.502 3.235 20 0 HGADRO CCOC(=O)Cc1nc(Cl)cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164626800 719073865 /nfs/dbraw/zinc/07/38/65/719073865.db2.gz PJHCZANCBITQRX-QZTJIDSGSA-N 1 0 414.937 3.336 20 0 HGADRO Clc1ncc(N2CCOCC2)c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164624970 719079966 /nfs/dbraw/zinc/07/99/66/719079966.db2.gz MHQMUFYRGKQFFI-UYAOXDASSA-N 1 0 413.953 3.067 20 0 HGADRO CCOC(=O)c1ncnc(Cl)c1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164625974 719092774 /nfs/dbraw/zinc/09/27/74/719092774.db2.gz HVOLGXXATQPDKE-DLBZAZTESA-N 1 0 400.910 3.408 20 0 HGADRO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164631691 719094679 /nfs/dbraw/zinc/09/46/79/719094679.db2.gz ZCRFENRSUBQYKN-QAPCUYQASA-N 1 0 420.891 3.480 20 0 HGADRO O=c1[nH]c2ccccc2n1C1CCN(c2cccc(OCC[NH+]3CCCC3)n2)CC1 ZINC001164623742 719128471 /nfs/dbraw/zinc/12/84/71/719128471.db2.gz RRUKINQAVFTTOS-UHFFFAOYSA-N 1 0 407.518 3.453 20 0 HGADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc(-c4ccc(-c5ccccc5)cc4)n3)C[C@H]21 ZINC001164669314 719394610 /nfs/dbraw/zinc/39/46/10/719394610.db2.gz URFGRJWHWVRFHQ-RTBURBONSA-N 1 0 407.905 3.378 20 0 HGADRO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC001164669215 719413181 /nfs/dbraw/zinc/41/31/81/719413181.db2.gz LIODOHVHCRMKBU-ROUUACIJSA-N 1 0 419.884 3.237 20 0 HGADRO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC001164669216 719413632 /nfs/dbraw/zinc/41/36/32/719413632.db2.gz LIODOHVHCRMKBU-ZWKOTPCHSA-N 1 0 419.884 3.237 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C(=O)N3CCCC3)C[C@H]3OCC[C@H]32)nc1 ZINC001164679415 719544741 /nfs/dbraw/zinc/54/47/41/719544741.db2.gz ZXSOFUJDVQGBFG-GXRSIYKFSA-N 1 0 412.578 3.235 20 0 HGADRO CC(C)N(C)Cc1nn(-c2ncnc3c(-c4ccccc4)nsc32)c2c1CC[NH2+]C2 ZINC001164680599 719640655 /nfs/dbraw/zinc/64/06/55/719640655.db2.gz XRXCGSURGDGKSP-UHFFFAOYSA-N 1 0 419.558 3.425 20 0 HGADRO CC(C)N(C)Cc1nn(-c2nccc(SCc3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164680536 719647764 /nfs/dbraw/zinc/64/77/64/719647764.db2.gz VAFDWGRGUKBFHY-UHFFFAOYSA-N 1 0 408.575 3.441 20 0 HGADRO CC(C)N(C)Cc1nn(-c2nc(-c3ccccn3)nc3sccc32)c2c1CC[NH2+]C2 ZINC001164680619 719647993 /nfs/dbraw/zinc/64/79/93/719647993.db2.gz YSMMRLJIERAEJI-UHFFFAOYSA-N 1 0 419.558 3.425 20 0 HGADRO COc1cccnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164683071 719660377 /nfs/dbraw/zinc/66/03/77/719660377.db2.gz UOPQKFFKHFPPFO-LJQANCHMSA-N 1 0 422.573 3.184 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)cc1Cl)CC2 ZINC001164683906 719703621 /nfs/dbraw/zinc/70/36/21/719703621.db2.gz LWYYVBGSHQQVAT-UHFFFAOYSA-N 1 0 407.292 3.114 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1ccc(SC)c(Cl)n1)CC2 ZINC001164686029 719726466 /nfs/dbraw/zinc/72/64/66/719726466.db2.gz ONDHUIBGEBVYRK-UHFFFAOYSA-N 1 0 418.941 3.183 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1c(C)nc(-c3ccccc3)nc1Cl)CC2 ZINC001164690133 719744584 /nfs/dbraw/zinc/74/45/84/719744584.db2.gz UEVMVBXTZLNFEJ-UHFFFAOYSA-N 1 0 413.953 3.286 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C(F)F)nc3ccc(Cl)cc31)CC2 ZINC001164689387 719751492 /nfs/dbraw/zinc/75/14/92/719751492.db2.gz DOWBXYJLXPGKQJ-UHFFFAOYSA-N 1 0 423.895 3.402 20 0 HGADRO CCOC(=O)c1cc(C)cnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164696163 719892724 /nfs/dbraw/zinc/89/27/24/719892724.db2.gz ABBXWRPNCSQRQS-UHFFFAOYSA-N 1 0 415.559 3.500 20 0 HGADRO c1csc(C[N@@H+]2CCOC3(CCN(c4cncc(N5CCCCC5)n4)CC3)C2)c1 ZINC001164699145 719895918 /nfs/dbraw/zinc/89/59/18/719895918.db2.gz XRLFWEKVWURXBR-UHFFFAOYSA-N 1 0 413.591 3.400 20 0 HGADRO CCO[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)[C@@H]2CCCO[C@H]12 ZINC001164714233 720067582 /nfs/dbraw/zinc/06/75/82/720067582.db2.gz PYAWQKCENZUFMM-KURKYZTESA-N 1 0 413.896 3.429 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3[nH]cc(Cl)c31)C2 ZINC001164812709 720070036 /nfs/dbraw/zinc/07/00/36/720070036.db2.gz RHNNGVGZWAEJQS-BFUOFWGJSA-N 1 0 410.349 3.449 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc(C)cc(Cl)n1)C2 ZINC001164808465 720074704 /nfs/dbraw/zinc/07/47/04/720074704.db2.gz HNKACJFYGKLUHU-CRAIPNDOSA-N 1 0 400.901 3.168 20 0 HGADRO COCc1nn(-c2nc(CN(C)C)nc3scc(-c4ccccc4)c32)c2c1C[NH2+]C2 ZINC001164710161 720078551 /nfs/dbraw/zinc/07/85/51/720078551.db2.gz IGLOKVBGDRFFJD-UHFFFAOYSA-N 1 0 420.542 3.355 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)Oc1cccnc1Cl)C2 ZINC001164807388 720090590 /nfs/dbraw/zinc/09/05/90/720090590.db2.gz FHPIEFBFZQBZJG-QAPCUYQASA-N 1 0 401.885 3.344 20 0 HGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc(OC)n1)CC2 ZINC001164710002 720096898 /nfs/dbraw/zinc/09/68/98/720096898.db2.gz DYUGFBAKEBSAHT-QGZVFWFLSA-N 1 0 417.941 3.041 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3ccc(OC)cc3nc1Cl)C2 ZINC001164810678 720102339 /nfs/dbraw/zinc/10/23/39/720102339.db2.gz KOLFTNVDDGFFGJ-ZHRRBRCNSA-N 1 0 416.953 3.477 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc3ccc(C(=O)OC)cc31)C2 ZINC001164811071 720104129 /nfs/dbraw/zinc/10/41/29/720104129.db2.gz LEJHWRGKKUDIDM-RDPSFJRHSA-N 1 0 409.530 3.206 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc(OC)nc1Cl)C2 ZINC001164811739 720111694 /nfs/dbraw/zinc/11/16/94/720111694.db2.gz NBJURTGXLJSHMH-KXBFYZLASA-N 1 0 415.912 3.473 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)cc1N)C2 ZINC001164811563 720121160 /nfs/dbraw/zinc/12/11/60/720121160.db2.gz MLZBNHPZGAMDTQ-KSSFIOAISA-N 1 0 400.901 3.047 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc(OC)c(Cl)n1)C2 ZINC001164813325 720127317 /nfs/dbraw/zinc/12/73/17/720127317.db2.gz QGGKXGJLJAQRHW-BEFAXECRSA-N 1 0 415.912 3.473 20 0 HGADRO CCOC(=O)c1c(C)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)nc1C ZINC001164816162 720132023 /nfs/dbraw/zinc/13/20/23/720132023.db2.gz XZPFRTWTTYDDDO-CVDCTZTESA-N 1 0 401.551 3.060 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(C(F)F)n1)CC2 ZINC001164712172 720135267 /nfs/dbraw/zinc/13/52/67/720135267.db2.gz KQQULTYRGQFVTE-KRWDZBQOSA-N 1 0 403.477 3.317 20 0 HGADRO CCSc1cncc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164710497 720147441 /nfs/dbraw/zinc/14/74/41/720147441.db2.gz BZSIKJKTKVEQGO-IBGZPJMESA-N 1 0 413.591 3.491 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc(-c3ccc(N(C)C)cc3)n1)C2 ZINC001164817538 720150708 /nfs/dbraw/zinc/15/07/08/720150708.db2.gz PUNQOEFSRGUIJY-OFVILXPXSA-N 1 0 421.589 3.394 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc3ccc(C(=O)OC)cc3cn1)C2 ZINC001164814394 720158767 /nfs/dbraw/zinc/15/87/67/720158767.db2.gz GBUDRJJXJCXYIR-URXFXBBRSA-N 1 0 409.530 3.206 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc3ccc(C(=O)OC)cc3cn1)C2 ZINC001164814397 720159015 /nfs/dbraw/zinc/15/90/15/720159015.db2.gz GBUDRJJXJCXYIR-ZJSXRUAMSA-N 1 0 409.530 3.206 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccccc3OC)nn1)C2 ZINC001164819880 720170939 /nfs/dbraw/zinc/17/09/39/720170939.db2.gz YVGURGOQVWAGRI-YADARESESA-N 1 0 408.546 3.337 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccn3)nc(C)c1C)C2 ZINC001164818682 720183205 /nfs/dbraw/zinc/18/32/05/720183205.db2.gz TZHDHGWBLMUKQO-RDPSFJRHSA-N 1 0 407.562 3.340 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(-c3nc(C(C)C)no3)ccn1)C2 ZINC001164820246 720185958 /nfs/dbraw/zinc/18/59/58/720185958.db2.gz ZVRWIEUFNGPLRZ-WMZHIEFXSA-N 1 0 411.550 3.440 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3cccnc3)nc3c1CCC3)C2 ZINC001164816579 720186067 /nfs/dbraw/zinc/18/60/67/720186067.db2.gz LOGUCLZTIJRCFX-CPJSRVTESA-N 1 0 419.573 3.212 20 0 HGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cnc3cc(Cl)ccc3n1)CCC2 ZINC001164812609 720218659 /nfs/dbraw/zinc/21/86/59/720218659.db2.gz HIGHJUDEOVUXNQ-UHFFFAOYSA-N 1 0 412.925 3.090 20 0 HGADRO CCc1cc2c(ncnc2N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)s1 ZINC001164814059 720221570 /nfs/dbraw/zinc/22/15/70/720221570.db2.gz RWNZNVTVCUTCMV-UHFFFAOYSA-N 1 0 412.563 3.061 20 0 HGADRO Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(C[N@@H+](C)C3CC3)cn2)cs1 ZINC001164816033 720259912 /nfs/dbraw/zinc/25/99/12/720259912.db2.gz FOTVAYGUBNJJJB-PMACEKPBSA-N 1 0 411.575 3.211 20 0 HGADRO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncccc2C[NH+]2CCCC2)cs1 ZINC001164818353 720260455 /nfs/dbraw/zinc/26/04/55/720260455.db2.gz YSOSXXJTPXLVPU-WOJBJXKFSA-N 1 0 411.575 3.212 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(-c3ccccc3)nn2)CC1 ZINC001164823821 720301730 /nfs/dbraw/zinc/30/17/30/720301730.db2.gz PZTUEJFNVOYIRM-VXKWHMMOSA-N 1 0 405.546 3.055 20 0 HGADRO COc1cccc2ccc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc21 ZINC001164818636 720305079 /nfs/dbraw/zinc/30/50/79/720305079.db2.gz AXCPHLBXSNKUIK-PMACEKPBSA-N 1 0 408.546 3.155 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc3ccccc3nc2Cl)CC1 ZINC001164821349 720311141 /nfs/dbraw/zinc/31/11/41/720311141.db2.gz KBHGCYWYWMYLDG-RTBURBONSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncc3c(Cl)cccc3n2)CC1 ZINC001164832982 720322136 /nfs/dbraw/zinc/32/21/36/720322136.db2.gz VERMHNTYIOJYAW-PMACEKPBSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc3c(Cl)ccnc3cn2)CC1 ZINC001164826214 720325842 /nfs/dbraw/zinc/32/58/42/720325842.db2.gz FTEAITHGMIESOD-VQTJNVASSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(-c3ccccc3)ncn2)CC1 ZINC001164822198 720335963 /nfs/dbraw/zinc/33/59/63/720335963.db2.gz CDPTWRJPOLBGES-FCHUYYIVSA-N 1 0 405.546 3.055 20 0 HGADRO Cc1c(Cl)nc(C(C)C)nc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164829529 720350807 /nfs/dbraw/zinc/35/08/07/720350807.db2.gz SKDYIHOCDUOSCM-QZTJIDSGSA-N 1 0 420.001 3.473 20 0 HGADRO Cc1nc(CO[C@@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)[C@H]3CCCO[C@H]23)cs1 ZINC001164821837 720391197 /nfs/dbraw/zinc/39/11/97/720391197.db2.gz JGWHCHIKRQDGIA-VWPQPMDRSA-N 1 0 414.575 3.395 20 0 HGADRO CC1CCN(C(=O)c2cccnc2N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)CC1 ZINC001164727975 720436289 /nfs/dbraw/zinc/43/62/89/720436289.db2.gz FMJQJMMKQJMUAA-YADHBBJMSA-N 1 0 405.546 3.202 20 0 HGADRO C[NH+](C)Cc1ccnc(N2CCOC[C@@]3(C[C@@H](CNc4cccc(F)c4)CO3)C2)c1 ZINC001164729508 720496940 /nfs/dbraw/zinc/49/69/40/720496940.db2.gz RHXSYLSFJMGCFX-WMZHIEFXSA-N 1 0 414.525 3.006 20 0 HGADRO COC(=O)c1ccc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164841117 720507786 /nfs/dbraw/zinc/50/77/86/720507786.db2.gz XOEWGPSJTKEDDM-LZLYRXPVSA-N 1 0 417.941 3.096 20 0 HGADRO COC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164835787 720513416 /nfs/dbraw/zinc/51/34/16/720513416.db2.gz LJTVLUJZNAWZQI-FGTMMUONSA-N 1 0 417.941 3.096 20 0 HGADRO COC(=O)c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncc1Cl ZINC001164839035 720513585 /nfs/dbraw/zinc/51/35/85/720513585.db2.gz RZWUJGGVJDFNQB-TXPKVOOTSA-N 1 0 417.941 3.096 20 0 HGADRO COC(=O)c1c(Cl)ccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164840072 720513664 /nfs/dbraw/zinc/51/36/64/720513664.db2.gz WHBXIDSVFSPAQO-SOLBZPMBSA-N 1 0 417.941 3.096 20 0 HGADRO CCOC(=O)c1cc(C)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164834873 720519552 /nfs/dbraw/zinc/51/95/52/720519552.db2.gz HTSJFHCWLMRSAS-SFHLNBCPSA-N 1 0 411.550 3.141 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4cccnc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840061 720521617 /nfs/dbraw/zinc/52/16/17/720521617.db2.gz WFIIDIQKALAFKX-XYJFISCASA-N 1 0 411.941 3.253 20 0 HGADRO COc1cccc2cnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc21 ZINC001164833645 720550835 /nfs/dbraw/zinc/55/08/35/720550835.db2.gz BBPCGFDVXOCHKL-VAMGGRTRSA-N 1 0 406.534 3.213 20 0 HGADRO COc1cccc2cnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc21 ZINC001164833644 720551271 /nfs/dbraw/zinc/55/12/71/720551271.db2.gz BBPCGFDVXOCHKL-SLFFLAALSA-N 1 0 406.534 3.213 20 0 HGADRO FC(F)(c1nc(Cl)cc(Cl)n1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164733395 720552715 /nfs/dbraw/zinc/55/27/15/720552715.db2.gz MNXDNOXBOZOAPS-UHFFFAOYSA-N 1 0 417.291 3.183 20 0 HGADRO Clc1cc(-c2ccncc2)c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nn1 ZINC001164733745 720553979 /nfs/dbraw/zinc/55/39/79/720553979.db2.gz RDXGWEOMMXVPMQ-UHFFFAOYSA-N 1 0 409.925 3.047 20 0 HGADRO COc1cccc(Oc2cncc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)n2)c1 ZINC001164730882 720573374 /nfs/dbraw/zinc/57/33/74/720573374.db2.gz ZWPILRXOTXFOTN-UHFFFAOYSA-N 1 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Cc1cc2nc(Cl)c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc2cc1C ZINC001164742337 720726023 /nfs/dbraw/zinc/72/60/23/720726023.db2.gz OEMRUNCMTDEAAR-HZPDHXFCSA-N 1 0 410.909 3.032 20 0 HGADRO COc1ccc2c(cc(Cl)nc2N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164744849 720732750 /nfs/dbraw/zinc/73/27/50/720732750.db2.gz SVWAWJILTFLRJF-WBVHZDCISA-N 1 0 411.893 3.029 20 0 HGADRO O=C1CCCC2(CCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC2)N1 ZINC001164838919 720734551 /nfs/dbraw/zinc/73/45/51/720734551.db2.gz ZIUHSONUODIVKB-UHFFFAOYSA-N 1 0 410.896 3.296 20 0 HGADRO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164745960 720800666 /nfs/dbraw/zinc/80/06/66/720800666.db2.gz KZVKQMIKWFTOPT-CWRNSKLLSA-N 1 0 402.930 3.084 20 0 HGADRO Clc1ccc2c(Cl)ncnc2c1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164747343 720805126 /nfs/dbraw/zinc/80/51/26/720805126.db2.gz NIPYRCHBTONIRS-OLZOCXBDSA-N 1 0 417.300 3.069 20 0 HGADRO COc1cc2cnc(Cl)cc2cc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164749825 720807689 /nfs/dbraw/zinc/80/76/89/720807689.db2.gz UPKWFEQHBRGWQG-IAGOWNOFSA-N 1 0 411.893 3.029 20 0 HGADRO Cc1sc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1C ZINC001164751999 720814998 /nfs/dbraw/zinc/81/49/98/720814998.db2.gz YJAMETKSJGTDHW-IPMKNSEASA-N 1 0 423.590 3.279 20 0 HGADRO Clc1ccc2cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncc2n1 ZINC001164741186 720831498 /nfs/dbraw/zinc/83/14/98/720831498.db2.gz MAJVJDJBWFDXLT-CMKODMSKSA-N 1 0 423.952 3.254 20 0 HGADRO CCOc1ccc(Cl)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745786 720833632 /nfs/dbraw/zinc/83/36/32/720833632.db2.gz NKLZGJAAECJGIM-FGTMMUONSA-N 1 0 416.957 3.105 20 0 HGADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3)CC[C@H]2C1 ZINC001164857749 720835281 /nfs/dbraw/zinc/83/52/81/720835281.db2.gz YPEMSKRMVZJCSV-JSGCOSHPSA-N 1 0 410.292 3.107 20 0 HGADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3ccc(Cl)nc3Cl)CC[C@@H]2C1 ZINC001164857160 720835374 /nfs/dbraw/zinc/83/53/74/720835374.db2.gz XXGNQZBMXKMBNP-OCCSQVGLSA-N 1 0 410.292 3.107 20 0 HGADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)cnc3Cl)CC[C@H]2C1 ZINC001164856527 720836953 /nfs/dbraw/zinc/83/69/53/720836953.db2.gz WSDOOMZNMKRDRA-WFASDCNBSA-N 1 0 410.292 3.107 20 0 HGADRO Fc1ccc2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1 ZINC001164745875 720849192 /nfs/dbraw/zinc/84/91/92/720849192.db2.gz OBNFQEKOZCUUIH-RCZSKKKRSA-N 1 0 406.509 3.345 20 0 HGADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c(Cl)cccc43)CC[C@H]2C1 ZINC001164851454 720850699 /nfs/dbraw/zinc/85/06/99/720850699.db2.gz HGHOSPPWIZKBOH-XJKSGUPXSA-N 1 0 411.333 3.110 20 0 HGADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c(Cl)cccc43)CC[C@H]2C1 ZINC001164851451 720851072 /nfs/dbraw/zinc/85/10/72/720851072.db2.gz HGHOSPPWIZKBOH-BBRMVZONSA-N 1 0 411.333 3.110 20 0 HGADRO COc1cccc2c1ccnc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739543 720851206 /nfs/dbraw/zinc/85/12/06/720851206.db2.gz BATQEWWUBFFDRG-NNMXDRDESA-N 1 0 418.545 3.214 20 0 HGADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(COC5CCC5)cn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164748668 720855306 /nfs/dbraw/zinc/85/53/06/720855306.db2.gz LMUDNEVVBMQBAH-FUPPJEDESA-N 1 0 422.577 3.122 20 0 HGADRO Cc1cc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2cc1C ZINC001164751116 720856117 /nfs/dbraw/zinc/85/61/17/720856117.db2.gz QCCOEQUCZKRYGY-MIZPHKNDSA-N 1 0 417.561 3.218 20 0 HGADRO CC(C)(c1ccnc(Cl)c1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164752853 720860944 /nfs/dbraw/zinc/86/09/44/720860944.db2.gz UTVZFICNOKFJQO-YSIASYRMSA-N 1 0 414.985 3.437 20 0 HGADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)cc4cc(OC)ccc43)CC[C@@H]2C1 ZINC001164851959 720865772 /nfs/dbraw/zinc/86/57/72/720865772.db2.gz BILLHZZNFIDPLS-BEFAXECRSA-N 1 0 405.926 3.070 20 0 HGADRO Cc1cc(C)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164748447 720869816 /nfs/dbraw/zinc/86/98/16/720869816.db2.gz DXOJWWPVYVEGNW-ISKFKSNPSA-N 1 0 407.562 3.244 20 0 HGADRO Clc1ncncc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754346 720876229 /nfs/dbraw/zinc/87/62/29/720876229.db2.gz RHXOTWCXDZWCQV-KNQAVFIVSA-N 1 0 413.953 3.280 20 0 HGADRO COCC[N@@H+]1CCO[C@H]2CN(c3c(C)nc(-c4ccccc4)nc3Cl)CC[C@H]2C1 ZINC001164859914 720879370 /nfs/dbraw/zinc/87/93/70/720879370.db2.gz NFASTLMSIBSHLU-OALUTQOASA-N 1 0 416.953 3.279 20 0 HGADRO Cc1cnc(C)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755352 720884032 /nfs/dbraw/zinc/88/40/32/720884032.db2.gz LFTOLMLZCCYTPM-LADGPHEKSA-N 1 0 407.562 3.244 20 0 HGADRO Cc1cnc(C)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755353 720884212 /nfs/dbraw/zinc/88/42/12/720884212.db2.gz LFTOLMLZCCYTPM-UPVQGACJSA-N 1 0 407.562 3.244 20 0 HGADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)CC[C@H]2C1 ZINC001164860512 720891039 /nfs/dbraw/zinc/89/10/39/720891039.db2.gz OTQGKABHDAHSMP-DOTOQJQBSA-N 1 0 415.912 3.029 20 0 HGADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)cc4cc(F)c(OC)cc43)CC[C@H]2C1 ZINC001164855960 720892899 /nfs/dbraw/zinc/89/28/99/720892899.db2.gz DSINOWCFLJBYTH-LIRRHRJNSA-N 1 0 423.916 3.209 20 0 HGADRO Cc1ccc2c(c1)nc(Cl)cc2N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001164751706 720956759 /nfs/dbraw/zinc/95/67/59/720956759.db2.gz SEMKRVWSOHMJQN-UHFFFAOYSA-N 1 0 413.909 3.039 20 0 HGADRO CCOC(=O)c1cc2cccnc2nc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164862468 720960056 /nfs/dbraw/zinc/96/00/56/720960056.db2.gz VSMCUZMHQDRCEI-INIZCTEOSA-N 1 0 422.533 3.424 20 0 HGADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)COc1ccc(Cl)nn1)[C@H]2C ZINC001164861953 721000808 /nfs/dbraw/zinc/00/08/08/721000808.db2.gz RQZLQMYQUILNDK-ZDUSSCGKSA-N 1 0 414.888 3.215 20 0 HGADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1nc3[nH]cnc3c(Cl)n1)[C@H]2C ZINC001164858147 721005239 /nfs/dbraw/zinc/00/52/39/721005239.db2.gz IFELZUGVVRVDLT-NSHDSACASA-N 1 0 424.887 3.121 20 0 HGADRO c1ccc(CO[C@H]2CO[C@@]3(C2)CCCN(c2ccc(C[NH+]4CCCC4)cn2)C3)nc1 ZINC001164771053 721030582 /nfs/dbraw/zinc/03/05/82/721030582.db2.gz ZIYLKQRKCUFMAH-ISKFKSNPSA-N 1 0 408.546 3.417 20 0 HGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H]2CCN3C(=O)c2cnn(C)c2)nc1 ZINC001164761549 721039000 /nfs/dbraw/zinc/03/90/00/721039000.db2.gz GJZKBBLMMLMUNZ-BHIFYINESA-N 1 0 422.577 3.246 20 0 HGADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncc(Cl)nc4C(N)=O)CC3)CC2)cc1 ZINC001164759868 721044579 /nfs/dbraw/zinc/04/45/79/721044579.db2.gz RGIMCMDGFDQBAB-UHFFFAOYSA-N 1 0 413.953 3.420 20 0 HGADRO c1ccc(Oc2cc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)ncn2)cc1 ZINC001164868031 721061529 /nfs/dbraw/zinc/06/15/29/721061529.db2.gz MHLZAHIMDDBYOI-CTNGQTDRSA-N 1 0 403.486 3.144 20 0 HGADRO Fc1ccc(-c2ccnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164864382 721081962 /nfs/dbraw/zinc/08/19/62/721081962.db2.gz FRKQEFAOIWQTQP-NHCUHLMSSA-N 1 0 405.477 3.157 20 0 HGADRO Fc1ccc(Cl)nc1C(F)(F)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864055 721084581 /nfs/dbraw/zinc/08/45/81/721084581.db2.gz DSUHZOQAMQHPLQ-GJZGRUSLSA-N 1 0 412.843 3.294 20 0 HGADRO c1cn(C2CCCC2)c2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164866336 721098171 /nfs/dbraw/zinc/09/81/71/721098171.db2.gz SGPIRBJAQUSIMN-RTWAWAEBSA-N 1 0 418.545 3.421 20 0 HGADRO Cc1cc(Cl)nc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164865464 721103209 /nfs/dbraw/zinc/10/32/09/721103209.db2.gz LNCIFLSDHBVEQT-IRXDYDNUSA-N 1 0 408.880 3.463 20 0 HGADRO FC(F)(COc1cccc(Cl)n1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164864889 721108299 /nfs/dbraw/zinc/10/82/99/721108299.db2.gz HFCUWDMNAFKGLL-IAGOWNOFSA-N 1 0 424.879 3.077 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)nc5cccc(F)c54)C[C@@H]3C2)cn1 ZINC001164773926 721108504 /nfs/dbraw/zinc/10/85/04/721108504.db2.gz ZHLBBWOWMBDRJD-CABCVRRESA-N 1 0 400.889 3.114 20 0 HGADRO Cc1cccc(-c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)c1 ZINC001164878967 721146905 /nfs/dbraw/zinc/14/69/05/721146905.db2.gz RDGAAKFPKNMLNH-FGZHOGPDSA-N 1 0 401.514 3.327 20 0 HGADRO COc1cccc(-c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)c1 ZINC001164874452 721146913 /nfs/dbraw/zinc/14/69/13/721146913.db2.gz KAVLYCLGXKQUAQ-IRLDBZIGSA-N 1 0 417.513 3.027 20 0 HGADRO COc1ccccc1-c1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164872508 721147504 /nfs/dbraw/zinc/14/75/04/721147504.db2.gz HJVWIQARMKVMHK-PMACEKPBSA-N 1 0 417.513 3.027 20 0 HGADRO COc1ccccc1-c1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)ncn1 ZINC001164879424 721154992 /nfs/dbraw/zinc/15/49/92/721154992.db2.gz SDHBCSLWXJAUEF-PMACEKPBSA-N 1 0 417.513 3.027 20 0 HGADRO Cc1nc2c3ccccc3oc2c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164771381 721162330 /nfs/dbraw/zinc/16/23/30/721162330.db2.gz SLQNHJRHBIMIBU-ZWKOTPCHSA-N 1 0 402.502 3.376 20 0 HGADRO CC(C)c1noc(-c2ccnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2)n1 ZINC001164871081 721167010 /nfs/dbraw/zinc/16/70/10/721167010.db2.gz DINJZMUNUCNYPM-PMACEKPBSA-N 1 0 420.517 3.130 20 0 HGADRO CC(C)c1noc(-c2ccnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2)n1 ZINC001164871083 721167562 /nfs/dbraw/zinc/16/75/62/721167562.db2.gz DINJZMUNUCNYPM-VQTJNVASSA-N 1 0 420.517 3.130 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nccc(Oc5cccc(F)c5)n4)C[C@@H]3C2)cn1 ZINC001164762621 721179904 /nfs/dbraw/zinc/17/99/04/721179904.db2.gz DBEKQAOSKQAYJM-MSOLQXFVSA-N 1 0 408.481 3.100 20 0 HGADRO Clc1cc(-c2ccncc2)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164880734 721182323 /nfs/dbraw/zinc/18/23/23/721182323.db2.gz XJLHLSBQYMOXNE-MOPGFXCFSA-N 1 0 422.920 3.067 20 0 HGADRO Cc1ccc(C)c(-c2ccc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nn2)c1 ZINC001164772867 721212125 /nfs/dbraw/zinc/21/21/25/721212125.db2.gz VQDPRUIITUKMMP-NHCUHLMSSA-N 1 0 402.546 3.452 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(C(F)F)nc5ccc(F)cc54)C[C@@H]3C2)cn1 ZINC001164766735 721230360 /nfs/dbraw/zinc/23/03/60/721230360.db2.gz VIGIBSHMTZSSDW-CABCVRRESA-N 1 0 416.451 3.398 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccnc(CSc5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164769863 721238361 /nfs/dbraw/zinc/23/83/61/721238361.db2.gz ZWFPFABCCCHRLV-WOJBJXKFSA-N 1 0 420.586 3.461 20 0 HGADRO Clc1nc2c(ncn2Cc2ccccc2)c(N2CC3(C2)CC[N@H+](CC2CC2)C3)n1 ZINC001164773020 721283947 /nfs/dbraw/zinc/28/39/47/721283947.db2.gz LUBBAAKHKKAJBH-UHFFFAOYSA-N 1 0 408.937 3.450 20 0 HGADRO CCOc1ccc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164780082 721344912 /nfs/dbraw/zinc/34/49/12/721344912.db2.gz ZKNJYIIKXDYITF-JOCHJYFZSA-N 1 0 400.523 3.204 20 0 HGADRO COc1cccc2ccc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nc21 ZINC001164893619 721395088 /nfs/dbraw/zinc/39/50/88/721395088.db2.gz WEKQOOQWPCDCCW-YKSBVNFPSA-N 1 0 410.562 3.009 20 0 HGADRO COc1cccc2ccc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nc21 ZINC001164893616 721395791 /nfs/dbraw/zinc/39/57/91/721395791.db2.gz WEKQOOQWPCDCCW-GBXCKJPGSA-N 1 0 410.562 3.009 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cnc5c(Cl)cccc5n4)C3)O2)CC1 ZINC001164886685 721402331 /nfs/dbraw/zinc/40/23/31/721402331.db2.gz KSQQEAONQICCAO-JTSKRJEESA-N 1 0 415.969 3.049 20 0 HGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cnc5ccc(Cl)cc5n4)C3)O2)CC1 ZINC001164885640 721405934 /nfs/dbraw/zinc/40/59/34/721405934.db2.gz GWSPDCUGJQTDJB-GCJKJVERSA-N 1 0 415.969 3.049 20 0 HGADRO Cc1cccc(-c2ccc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nn2)c1 ZINC001164898783 721434858 /nfs/dbraw/zinc/43/48/58/721434858.db2.gz WZIZBDBIDAOJSB-WIOPSUGQSA-N 1 0 421.589 3.217 20 0 HGADRO COc1cccc2c1ccnc2N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164896207 721439418 /nfs/dbraw/zinc/43/94/18/721439418.db2.gz RBYHSBRQSHEKSW-DVECYGJZSA-N 1 0 410.562 3.009 20 0 HGADRO CC(C)c1c(Cl)ncnc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892235 721446772 /nfs/dbraw/zinc/44/67/72/721446772.db2.gz HTVLTDHPWLMPNE-UWJYYQICSA-N 1 0 407.990 3.019 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc(C)c1C)CC2 ZINC001164789388 721448390 /nfs/dbraw/zinc/44/83/90/721448390.db2.gz VGQUETLFUDHKBP-LJQANCHMSA-N 1 0 423.001 3.481 20 0 HGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3ccccc3n1)CC2 ZINC001164785950 721448409 /nfs/dbraw/zinc/44/84/09/721448409.db2.gz JZJRYVJGYUTCJY-NRFANRHFSA-N 1 0 410.562 3.364 20 0 HGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)nnc1C)CC2 ZINC001164790391 721454867 /nfs/dbraw/zinc/45/48/67/721454867.db2.gz YRUGDRBAJLBOEZ-SFHVURJKSA-N 1 0 408.974 3.172 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N)cc(Cl)n1)CC2 ZINC001164787659 721456131 /nfs/dbraw/zinc/45/61/31/721456131.db2.gz PCCSWXRTUXTGRW-GOSISDBHSA-N 1 0 408.974 3.051 20 0 HGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncncc1C(C)C)CC2 ZINC001164786806 721459382 /nfs/dbraw/zinc/45/93/82/721459382.db2.gz PLHAJSOUVURZDV-FQEVSTJZSA-N 1 0 402.583 3.334 20 0 HGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@H](C(=O)NCC4CC4)C[C@H]32)nc1 ZINC001164890844 721459476 /nfs/dbraw/zinc/45/94/76/721459476.db2.gz SSUGUAFZTLFYPH-CZYKHXBRSA-N 1 0 412.578 3.281 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)ccc1OC)CC2 ZINC001164786455 721461480 /nfs/dbraw/zinc/46/14/80/721461480.db2.gz OEXYIGXTHNCJFF-GOSISDBHSA-N 1 0 423.985 3.478 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cnc(Cl)cc1N)CC2 ZINC001164786911 721464811 /nfs/dbraw/zinc/46/48/11/721464811.db2.gz QMQFFWWSDQPBIZ-QGZVFWFLSA-N 1 0 408.974 3.051 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C3CCC3)ncn1)CC2 ZINC001164790073 721469990 /nfs/dbraw/zinc/46/99/90/721469990.db2.gz QQCDIHTWZKKDHP-OAQYLSRUSA-N 1 0 414.594 3.478 20 0 HGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C3CCC3)ncn1)CC2 ZINC001164790071 721470142 /nfs/dbraw/zinc/47/01/42/721470142.db2.gz QQCDIHTWZKKDHP-NRFANRHFSA-N 1 0 414.594 3.478 20 0 HGADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3nccn3C[C@@H](Cn3cccn3)C2)nc1 ZINC001164897683 721487788 /nfs/dbraw/zinc/48/77/88/721487788.db2.gz UACBSNVKUHXKBG-CTNGQTDRSA-N 1 0 405.550 3.358 20 0 HGADRO COC(=O)c1cc(Cl)nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164792185 721489892 /nfs/dbraw/zinc/48/98/92/721489892.db2.gz HWRMZKOJJRXQFF-UHFFFAOYSA-N 1 0 415.925 3.193 20 0 HGADRO CCOC(=O)c1cc(C)nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164792462 721492516 /nfs/dbraw/zinc/49/25/16/721492516.db2.gz PDPDAQWETWJPPF-UHFFFAOYSA-N 1 0 409.534 3.238 20 0 HGADRO CCOC(=O)c1ncnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1C ZINC001164792527 721496525 /nfs/dbraw/zinc/49/65/25/721496525.db2.gz QEJFBPIYRSEODA-UHFFFAOYSA-N 1 0 409.534 3.238 20 0 HGADRO COC(=O)c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1 ZINC001164900463 721508772 /nfs/dbraw/zinc/50/87/72/721508772.db2.gz RCQMGVOYLYJVAZ-NVXWUHKLSA-N 1 0 405.857 3.003 20 0 HGADRO COC(=O)c1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1Cl ZINC001164899595 721514286 /nfs/dbraw/zinc/51/42/86/721514286.db2.gz LGINNCUIZATLDO-GDBMZVCRSA-N 1 0 405.857 3.003 20 0 HGADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)nc5c4CSC5)CC[N@@H+]3C2)c1 ZINC001164901625 721524498 /nfs/dbraw/zinc/52/44/98/721524498.db2.gz XTMLLXBEJAVHFX-UKRRQHHQSA-N 1 0 406.914 3.358 20 0 HGADRO Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(Cl)n1 ZINC001164900059 721526420 /nfs/dbraw/zinc/52/64/20/721526420.db2.gz NQMQYYMTWWTZDC-GDBMZVCRSA-N 1 0 412.843 3.464 20 0 HGADRO COC(=O)/C=C/c1cc(C)cnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164906912 721547828 /nfs/dbraw/zinc/54/78/28/721547828.db2.gz LTMREJWRDKQNLU-VKEZQZQQSA-N 1 0 411.477 3.057 20 0 HGADRO CCOC(=O)c1cnc2cc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)[nH]cc1-2 ZINC001164908712 721550989 /nfs/dbraw/zinc/55/09/89/721550989.db2.gz QGZZADVWTBGHRX-FUHWJXTLSA-N 1 0 424.476 3.221 20 0 HGADRO COc1cc(OC)c2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1 ZINC001164905446 721565929 /nfs/dbraw/zinc/56/59/29/721565929.db2.gz HNCOROBYWJLBAJ-APWZRJJASA-N 1 0 424.476 3.128 20 0 HGADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc5c(nc4Cl)CCCC5)CC[N@@H+]3C2)c1 ZINC001164910234 721566242 /nfs/dbraw/zinc/56/62/42/721566242.db2.gz WBZZRNNGKPMKIH-DOTOQJQBSA-N 1 0 402.901 3.490 20 0 HGADRO CCCN(CCC)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)ncn1 ZINC001164802913 721566935 /nfs/dbraw/zinc/56/69/35/721566935.db2.gz ISLDEUIWUIXTSY-DPLHUUCSSA-N 1 0 424.593 3.366 20 0 HGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3c4c([nH]c32)CCC4)[C@H]2CCCO[C@H]12 ZINC001164808291 721589433 /nfs/dbraw/zinc/58/94/33/721589433.db2.gz QGQQQYQTYPONKM-XJUOHMSHSA-N 1 0 403.530 3.315 20 0 HGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(Cl)nnc2-c2ccccc2)CC1 ZINC001165010625 721737429 /nfs/dbraw/zinc/73/74/29/721737429.db2.gz HNYQOYQZMBWUKA-UHFFFAOYSA-N 1 0 413.953 3.320 20 0 HGADRO Cc1cc2nc(Cl)c(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)nc2cc1C ZINC001165009433 721741556 /nfs/dbraw/zinc/74/15/56/721741556.db2.gz DAFHEDPOEMMWBH-UHFFFAOYSA-N 1 0 415.969 3.423 20 0 HGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncccc2OCc2ccccc2)CC1 ZINC001165010477 721744516 /nfs/dbraw/zinc/74/45/16/721744516.db2.gz MSGGCEGVFFBYGM-UHFFFAOYSA-N 1 0 408.546 3.184 20 0 HGADRO CC[C@H](C)c1nc(Cl)c(C)c(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)n1 ZINC001165012299 721748816 /nfs/dbraw/zinc/74/88/16/721748816.db2.gz FVOPJJFDBOVIAR-HNNXBMFYSA-N 1 0 407.990 3.475 20 0 HGADRO CN(C)c1nc(Cl)cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165028840 721800008 /nfs/dbraw/zinc/80/00/08/721800008.db2.gz ZXANTJRALVYHCV-CGTJXYLNSA-N 1 0 400.958 3.328 20 0 HGADRO FC1(F)CCN(c2ccc(C[NH+]3CCCC3)cn2)C[C@]12CCN(c1cnccn1)C2 ZINC001164917772 721803001 /nfs/dbraw/zinc/80/30/01/721803001.db2.gz YHJDJUMHJAEQKR-NRFANRHFSA-N 1 0 414.504 3.210 20 0 HGADRO Cn1cnc2c1nc(Cl)nc2N1C[C@H]2[C@@H](C1)CCC[C@H]2[N@H+](C)Cc1ccccn1 ZINC001165018579 721808342 /nfs/dbraw/zinc/80/83/42/721808342.db2.gz BJVLVNUMQUAHTK-HYVNUMGLSA-N 1 0 411.941 3.149 20 0 HGADRO CCOC(=O)c1ncnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001165023610 721814940 /nfs/dbraw/zinc/81/49/40/721814940.db2.gz IJXVQSQFSBSZSE-YSIASYRMSA-N 1 0 409.534 3.094 20 0 HGADRO CON(C)C(=O)c1cc(C)cnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165023587 721819920 /nfs/dbraw/zinc/81/99/20/721819920.db2.gz ICNDTQNOARCCCW-BWAGFHJFSA-N 1 0 423.561 3.155 20 0 HGADRO COc1cnc2c(c1)ncnc2N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165025918 721820879 /nfs/dbraw/zinc/82/08/79/721820879.db2.gz OESPJYOWAFULLV-LDQXTDLNSA-N 1 0 404.518 3.165 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(C(N)=O)cc4ccccc43)C[C@H]21 ZINC001165030546 721825839 /nfs/dbraw/zinc/82/58/39/721825839.db2.gz ZSKMLURMGQOBJV-JMUQELJHSA-N 1 0 415.541 3.466 20 0 HGADRO COCCOC(=O)c1ccnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165027768 721829749 /nfs/dbraw/zinc/82/97/49/721829749.db2.gz TZULBGIICKBEJT-KSEOMHKRSA-N 1 0 424.545 3.017 20 0 HGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc3nc[nH]c32)CC1 ZINC001165019305 721838087 /nfs/dbraw/zinc/83/80/87/721838087.db2.gz CLGZILMWLAGASD-UHFFFAOYSA-N 1 0 416.913 3.124 20 0 HGADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1nc2ccsc2c(Cl)n1 ZINC001164931806 721854806 /nfs/dbraw/zinc/85/48/06/721854806.db2.gz WFRDSIXHXANPRH-STQMWFEESA-N 1 0 401.914 3.104 20 0 HGADRO Cc1sc2nc(CN3CCOCC3)nc(N3CC[NH+](C4CCCC4)CC3)c2c1C ZINC000045026673 721859863 /nfs/dbraw/zinc/85/98/63/721859863.db2.gz FSWMBDUFWAGULG-UHFFFAOYSA-N 1 0 415.607 3.205 20 0 HGADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1nc(Cl)c2cc(F)ccc2n1 ZINC001164931248 721861689 /nfs/dbraw/zinc/86/16/89/721861689.db2.gz UMPRLILEJGSBAB-JKSUJKDBSA-N 1 0 413.875 3.182 20 0 HGADRO C[NH+]1CCN(c2ccc(N3CCC(Oc4ccc(F)cc4Cl)CC3)nn2)CC1 ZINC001165033901 721879923 /nfs/dbraw/zinc/87/99/23/721879923.db2.gz XYUSWDGHHMCKCZ-UHFFFAOYSA-N 1 0 405.905 3.069 20 0 HGADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1cc(-c2ccco2)nnc1Cl ZINC001164930992 721881119 /nfs/dbraw/zinc/88/11/19/721881119.db2.gz DXWRYYARJCZCBH-CVEARBPZSA-N 1 0 411.884 3.150 20 0 HGADRO Cc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)cc1 ZINC001164933627 721888490 /nfs/dbraw/zinc/88/84/90/721888490.db2.gz NMCWHDFLNQKVGG-QZTJIDSGSA-N 1 0 401.942 3.445 20 0 HGADRO COc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)c1 ZINC001164932571 721888798 /nfs/dbraw/zinc/88/87/98/721888798.db2.gz JEXDYKRJIVQUIY-QZTJIDSGSA-N 1 0 417.941 3.146 20 0 HGADRO COc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164934415 721889043 /nfs/dbraw/zinc/88/90/43/721889043.db2.gz RLNUGAATSIFHJM-HZPDHXFCSA-N 1 0 417.941 3.146 20 0 HGADRO CCOC(=O)Cc1ccc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc1 ZINC001164940955 721926569 /nfs/dbraw/zinc/92/65/69/721926569.db2.gz XHCJSMSAYHUMHG-UHFFFAOYSA-N 1 0 423.557 3.367 20 0 HGADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)cc(N(C)C)n4)CC3)C2)cc1 ZINC001164940927 721927349 /nfs/dbraw/zinc/92/73/49/721927349.db2.gz WSTJMEOPCOLLBH-UHFFFAOYSA-N 1 0 415.969 3.376 20 0 HGADRO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2CCC(C[NH+](C)C)CC2)n1 ZINC001165045695 721947465 /nfs/dbraw/zinc/94/74/65/721947465.db2.gz VXBNRRRLHAIDRM-CSKARUKUSA-N 1 0 402.539 3.030 20 0 HGADRO CCC(CC)NS(=O)(=O)c1ccc(N2CCCC[C@H]2CC[NH+]2CCCC2)nc1 ZINC001165049140 721976131 /nfs/dbraw/zinc/97/61/31/721976131.db2.gz NUFQQAVZDYQEDA-IBGZPJMESA-N 1 0 408.612 3.393 20 0 HGADRO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCCC[C@@H]2CC[NH+]2CCCC2)nc1 ZINC001165048714 721976164 /nfs/dbraw/zinc/97/61/64/721976164.db2.gz KRHWMINKMROAGV-RBUKOAKNSA-N 1 0 408.612 3.393 20 0 HGADRO CC(C)CCNS(=O)(=O)c1ccc(N2CCCC[C@H]2CC[NH+]2CCCC2)nc1 ZINC001165048044 721976194 /nfs/dbraw/zinc/97/61/94/721976194.db2.gz ILTMIEATDAXRHN-IBGZPJMESA-N 1 0 408.612 3.251 20 0 HGADRO CC[NH+](CC)C1CCN(c2cc(N3CCN(c4ccccc4F)CC3)ncn2)CC1 ZINC001165054532 722006489 /nfs/dbraw/zinc/00/64/89/722006489.db2.gz PLARAHCHIIASAJ-UHFFFAOYSA-N 1 0 412.557 3.253 20 0 HGADRO COC(=O)c1c(Cl)ccnc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164954297 722013409 /nfs/dbraw/zinc/01/34/09/722013409.db2.gz JZAMSHUUNCKILK-UHFFFAOYSA-N 1 0 400.910 3.409 20 0 HGADRO Fc1ccc(Cn2ccc3c2ncnc3N2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC001165055343 722013438 /nfs/dbraw/zinc/01/34/38/722013438.db2.gz FOSIOSYEJSBAIE-UHFFFAOYSA-N 1 0 416.504 3.378 20 0 HGADRO O=C(OCc1ccccc1)c1ccc(N2CC[NH+](CCc3ccccn3)CC2)nc1 ZINC001165055254 722018060 /nfs/dbraw/zinc/01/80/60/722018060.db2.gz NWEFHVHUPUJRSF-UHFFFAOYSA-N 1 0 402.498 3.198 20 0 HGADRO FC(F)(c1ccc(Cl)nn1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164961948 722054184 /nfs/dbraw/zinc/05/41/84/722054184.db2.gz ZPZPEILMNUPLJF-UHFFFAOYSA-N 1 0 423.895 3.189 20 0 HGADRO COc1ccc2ncc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc2c1 ZINC001164963820 722056267 /nfs/dbraw/zinc/05/62/67/722056267.db2.gz MJFZQZGKPRVIQO-UHFFFAOYSA-N 1 0 419.529 3.152 20 0 HGADRO COc1cccc2cnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc21 ZINC001164962976 722056821 /nfs/dbraw/zinc/05/68/21/722056821.db2.gz GIYXGSGMXUDEHG-UHFFFAOYSA-N 1 0 419.529 3.152 20 0 HGADRO c1cc2c(nc(C3CC3)nc2N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)[nH]1 ZINC001164963693 722061691 /nfs/dbraw/zinc/06/16/91/722061691.db2.gz BZAFLVKZHYHAPD-UHFFFAOYSA-N 1 0 418.545 3.349 20 0 HGADRO CC(C)CNC(=O)c1nc2c(s1)CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164964646 722066419 /nfs/dbraw/zinc/06/64/19/722066419.db2.gz ABLWQYKVITZVBA-UHFFFAOYSA-N 1 0 413.591 3.125 20 0 HGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@]3(CCCN(C(C)=O)C3)C2)nc1 ZINC001164969089 722084178 /nfs/dbraw/zinc/08/41/78/722084178.db2.gz JVEZIXNXELHDBM-FYYLOGMGSA-N 1 0 400.567 3.236 20 0 HGADRO FC(F)(c1ccnc(Cl)c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164986541 722100765 /nfs/dbraw/zinc/10/07/65/722100765.db2.gz ZGZOVUHCEZCHKK-SJLPKXTDSA-N 1 0 408.880 3.402 20 0 HGADRO Cc1cc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(Cl)n1 ZINC001164974998 722109808 /nfs/dbraw/zinc/10/98/08/722109808.db2.gz JEDBUHGQVQZAGQ-IAGOWNOFSA-N 1 0 423.895 3.106 20 0 HGADRO Clc1ccc2cnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2c1 ZINC001164981008 722125906 /nfs/dbraw/zinc/12/59/06/722125906.db2.gz RXZJGVYTNBTKFP-GHTZIAJQSA-N 1 0 409.921 3.406 20 0 HGADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ncnc5sc6c(c54)CCC6)CC[C@@H]3C2)c1 ZINC001164980365 722139235 /nfs/dbraw/zinc/13/92/35/722139235.db2.gz NFSIRPJQQMFSEX-MJGOQNOKSA-N 1 0 421.570 3.302 20 0 HGADRO Cc1cc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)nn1 ZINC001164979700 722143398 /nfs/dbraw/zinc/14/33/98/722143398.db2.gz LTJUJBGYAWGQLX-SJLPKXTDSA-N 1 0 423.895 3.106 20 0 HGADRO c1ccc(Cc2nccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164985060 722147052 /nfs/dbraw/zinc/14/70/52/722147052.db2.gz ZATCDMUFLIUBBL-XZOQPEGZSA-N 1 0 415.541 3.190 20 0 HGADRO CCc1nc2sccc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164980954 722150552 /nfs/dbraw/zinc/15/05/52/722150552.db2.gz OFZWXTHKQZPEDM-HKUYNNGSSA-N 1 0 409.559 3.376 20 0 HGADRO CSc1ccc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164972558 722153961 /nfs/dbraw/zinc/15/39/61/722153961.db2.gz IKCCJTLQNCHQCS-GCJKJVERSA-N 1 0 421.570 3.474 20 0 HGADRO CC(=O)N1CC2(CCN(c3cccc(N4CC[NH+](C)CC4)n3)CC2)c2cc(C)ccc21 ZINC001164988861 722189680 /nfs/dbraw/zinc/18/96/80/722189680.db2.gz KYMIZWTVVHJZLB-UHFFFAOYSA-N 1 0 419.573 3.047 20 0 HGADRO CON(C)C(=O)c1cc(C)cnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164993775 722206017 /nfs/dbraw/zinc/20/60/17/722206017.db2.gz BEMMRNIKXOIOOX-QHCPKHFHSA-N 1 0 412.509 3.407 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3C[C@H](C(=O)NC(C)C)C[C@@H]32)nc1 ZINC001164997854 722216891 /nfs/dbraw/zinc/21/68/91/722216891.db2.gz SMXIPZSKMWHYGF-MXEMCNAFSA-N 1 0 400.567 3.137 20 0 HGADRO CSc1nc2sccc2c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001164999930 722251137 /nfs/dbraw/zinc/25/11/37/722251137.db2.gz JKMHNXNDZJQKSF-UHFFFAOYSA-N 1 0 418.592 3.098 20 0 HGADRO COc1cc(Br)c(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)F)cc1O ZINC000494598756 1126094937 /nfs/dbraw/zinc/09/49/37/1126094937.db2.gz FRDKPJUDQMNLDQ-PBHICJAKSA-N 1 0 416.262 3.490 20 0 HGADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cn2cc(Br)ccc2n1 ZINC001175705895 1126149138 /nfs/dbraw/zinc/14/91/38/1126149138.db2.gz AIBKPPUDGIBGSC-LJQANCHMSA-N 1 0 404.308 3.189 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nc(C)c(Br)s2)cc1OC ZINC001176598143 1126150380 /nfs/dbraw/zinc/15/03/80/1126150380.db2.gz JRDRNDKXFOWQQI-KRWDZBQOSA-N 1 0 415.353 3.315 20 0 HGADRO O=c1[nH]c(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)nc2ccccc12 ZINC001196104540 1126153530 /nfs/dbraw/zinc/15/35/30/1126153530.db2.gz NRAQJRTXYZMBJR-HXUWFJFHSA-N 1 0 414.303 3.108 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2sncc2Br)cc1OC ZINC001198229370 1126155559 /nfs/dbraw/zinc/15/55/59/1126155559.db2.gz LESBXXNYKKXXGA-MRXNPFEDSA-N 1 0 401.326 3.006 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2sncc2Br)cc1OC ZINC001198229367 1126155623 /nfs/dbraw/zinc/15/56/23/1126155623.db2.gz LESBXXNYKKXXGA-INIZCTEOSA-N 1 0 401.326 3.006 20 0 HGADRO O[C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC001204003006 1126159139 /nfs/dbraw/zinc/15/91/39/1126159139.db2.gz ZTFTZXJGLXWVCO-UYAOXDASSA-N 1 0 403.320 3.034 20 0 HGADRO Cc1noc2ncc(C[NH2+][C@]3(CO)CCc4cc(Br)ccc4C3)cc12 ZINC001308464408 1126165968 /nfs/dbraw/zinc/16/59/68/1126165968.db2.gz OCVIQGXEFDNUFM-LJQANCHMSA-N 1 0 402.292 3.303 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cccc(I)c2)cc1 ZINC001308513087 1126167580 /nfs/dbraw/zinc/16/75/80/1126167580.db2.gz NGYZBXNNBGEKGY-GOSISDBHSA-N 1 0 411.283 3.383 20 0 HGADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC001460699257 1126192158 /nfs/dbraw/zinc/19/21/58/1126192158.db2.gz VYYQETOBONBLOS-XMMPIXPASA-N 1 0 408.498 3.302 20 0 HGADRO O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1ccc(CN2CCOCC2)cc1)C(F)(F)F ZINC001473751355 1126198919 /nfs/dbraw/zinc/19/89/19/1126198919.db2.gz UCBGRZVZHYRQIV-LEWJYISDSA-N 1 0 408.464 3.143 20 0 HGADRO COC(=O)c1sccc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC001559996931 1126207162 /nfs/dbraw/zinc/20/71/62/1126207162.db2.gz JLNGXAOCWXUUTA-SFHVURJKSA-N 1 0 410.333 3.307 20 0 HGADRO COc1ccc(C[NH+]2CCC(OC)(c3nc(C4CCOCC4)no3)CC2)cc1OC ZINC000516320339 560585012 /nfs/dbraw/zinc/58/50/12/560585012.db2.gz MGGRWLCJQNNVTH-UHFFFAOYSA-N 1 0 417.506 3.119 20 0 HGADRO FC(F)(F)[C@@H]1N(C(F)(F)COc2ccc(Cl)nn2)CCC12CC[NH2+]CC2 ZINC001164388785 718814906 /nfs/dbraw/zinc/81/49/06/718814906.db2.gz QQQBMJXVDKVEMJ-GFCCVEGCSA-N 1 0 400.779 3.108 20 0 HGADRO FC(F)(c1nc2cc(Cl)c(Cl)cc2nc1Cl)N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164399352 718835198 /nfs/dbraw/zinc/83/51/98/718835198.db2.gz UFISFLQTNCTLGX-VIFPVBQESA-N 1 0 422.694 3.229 20 0 HGADRO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001164406506 718862075 /nfs/dbraw/zinc/86/20/75/718862075.db2.gz UTWXEJRUYSJRJQ-QMTHXVAHSA-N 1 0 403.260 3.296 20 0 HGADRO COc1ccccc1-c1cc(C(F)(F)N2CCO[C@H]3C[NH2+]CC[C@@H]3C2)c(Cl)nn1 ZINC001164408834 718865364 /nfs/dbraw/zinc/86/53/64/718865364.db2.gz NMEGIEBDINPBKQ-ACJLOTCBSA-N 1 0 424.879 3.165 20 0 HGADRO COc1ccccc1-c1cc(C(F)(F)N2CCO[C@@H]3C[NH2+]CC[C@H]3C2)c(Cl)nn1 ZINC001164408840 718865419 /nfs/dbraw/zinc/86/54/19/718865419.db2.gz NMEGIEBDINPBKQ-SCLBCKFNSA-N 1 0 424.879 3.165 20 0 HGADRO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1C[C@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164422684 718941094 /nfs/dbraw/zinc/94/10/94/718941094.db2.gz BEFJFGSLGVKKSK-HZPDHXFCSA-N 1 0 405.880 3.351 20 0 HGADRO c1sc2nc(CN3CCOCC3)nc(N3CCC[C@@H]4[NH2+]C[C@H]43)c2c1-c1ccccc1 ZINC001164449503 718999478 /nfs/dbraw/zinc/99/94/78/718999478.db2.gz OLUMWMSMDJGGKN-RBUKOAKNSA-N 1 0 421.570 3.131 20 0 HGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cccc(-c2ccc(Cl)nn2)c1 ZINC001164614860 719018381 /nfs/dbraw/zinc/01/83/81/719018381.db2.gz GRZSSPJCMPZLAT-COXVUDFISA-N 1 0 422.863 3.072 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nnc(Cl)c4c3CCCC4)CC2)CC1 ZINC001164614421 719025790 /nfs/dbraw/zinc/02/57/90/719025790.db2.gz SJJNUAKFHUPIJM-UHFFFAOYSA-N 1 0 406.958 3.253 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nccc(-c4ccccc4OC)n3)CC2)CC1 ZINC001164617985 719032805 /nfs/dbraw/zinc/03/28/05/719032805.db2.gz QIDDFAZQVWPMSE-UHFFFAOYSA-N 1 0 424.545 3.396 20 0 HGADRO FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164622692 719048187 /nfs/dbraw/zinc/04/81/87/719048187.db2.gz LDSJDNJHEFHJLK-UGSOOPFHSA-N 1 0 404.852 3.086 20 0 HGADRO NC(=O)c1ccc(C(F)(F)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1Cl ZINC001164626574 719056022 /nfs/dbraw/zinc/05/60/22/719056022.db2.gz SFZDTRFCUXHOAL-NVXWUHKLSA-N 1 0 420.891 3.480 20 0 HGADRO O=C1NCc2c1c(N1CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]31)nc(Cl)c2F ZINC001164628945 719083153 /nfs/dbraw/zinc/08/31/53/719083153.db2.gz VDGQHSCHZLZOMW-GDBMZVCRSA-N 1 0 400.885 3.218 20 0 HGADRO CCOC(=O)c1nc2ccn(C)c2c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164632399 719091727 /nfs/dbraw/zinc/09/17/27/719091727.db2.gz ZITVRGGHCKFFAV-ICSRJNTNSA-N 1 0 419.529 3.246 20 0 HGADRO O=c1ccccn1Cc1ccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC001164632558 719100302 /nfs/dbraw/zinc/10/03/02/719100302.db2.gz ZRSWAQPOPNBMRV-DHIUTWEWSA-N 1 0 400.526 3.392 20 0 HGADRO C[NH+](C)Cc1ccnc(N2CCc3c(c(COc4cccnc4)nn3CC3CC3)C2)c1 ZINC001164655131 719323423 /nfs/dbraw/zinc/32/34/23/719323423.db2.gz NVUZDZYSCHGNEG-UHFFFAOYSA-N 1 0 418.545 3.286 20 0 HGADRO CC(C)N(c1nc(Cl)ccc1CN1CCCC1)c1ncnc2c1CC[NH2+]CC2 ZINC001164661235 719344759 /nfs/dbraw/zinc/34/47/59/719344759.db2.gz JZFJDKZXDZYVMB-UHFFFAOYSA-N 1 0 400.958 3.356 20 0 HGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(F)ccn3)CC2)c2ccccc21 ZINC001164682970 719656176 /nfs/dbraw/zinc/65/61/76/719656176.db2.gz UFVOVKPMNOQILT-GOSISDBHSA-N 1 0 410.537 3.314 20 0 HGADRO CCc1cnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1 ZINC001164684328 719657161 /nfs/dbraw/zinc/65/71/61/719657161.db2.gz WUOWFPBBVXHAIO-HXUWFJFHSA-N 1 0 421.589 3.132 20 0 HGADRO CCc1nccnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681790 719666718 /nfs/dbraw/zinc/66/67/18/719666718.db2.gz NPMYBCATQFDGIF-IBGZPJMESA-N 1 0 421.589 3.132 20 0 HGADRO CCOC(=O)c1c(C)ncnc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164692750 719809295 /nfs/dbraw/zinc/80/92/95/719809295.db2.gz MCWLQMMDDVYMPW-UHFFFAOYSA-N 1 0 415.563 3.362 20 0 HGADRO COC(=O)c1c(C)cc(C)nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694586 719891794 /nfs/dbraw/zinc/89/17/94/719891794.db2.gz AHFHDOZUCKAEBK-UHFFFAOYSA-N 1 0 415.559 3.418 20 0 HGADRO c1csc(C[N@@H+]2CCOC3(CCN(c4ccc(-c5ccccn5)nn4)CC3)C2)c1 ZINC001164706848 719899292 /nfs/dbraw/zinc/89/92/92/719899292.db2.gz LFFMSFOYZQNOJT-UHFFFAOYSA-N 1 0 407.543 3.472 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3nnc(Cn4cccc4)n3CC2)nc1 ZINC001164710056 720091271 /nfs/dbraw/zinc/09/12/71/720091271.db2.gz GJROHYWMPONBTD-HXUWFJFHSA-N 1 0 405.550 3.133 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C)c(NC3CC3)n1)CC2 ZINC001164709624 720093299 /nfs/dbraw/zinc/09/32/99/720093299.db2.gz BNTLEVMGVWXEKG-NRFANRHFSA-N 1 0 422.577 3.262 20 0 HGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)ncc1OC)CC2 ZINC001164710347 720096619 /nfs/dbraw/zinc/09/66/19/720096619.db2.gz JDPMESVZFXZVRK-QGZVFWFLSA-N 1 0 417.941 3.041 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)cc1N)C2 ZINC001164811561 720122317 /nfs/dbraw/zinc/12/23/17/720122317.db2.gz MLZBNHPZGAMDTQ-KBXCAEBGSA-N 1 0 400.901 3.047 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc3ccc(OC)nc31)C2 ZINC001164814965 720122730 /nfs/dbraw/zinc/12/27/30/720122730.db2.gz UTUKHQPWVPPNDL-AOMKIAJQSA-N 1 0 416.953 3.477 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3cccc(OC)c31)C2 ZINC001164814376 720124885 /nfs/dbraw/zinc/12/48/85/720124885.db2.gz SDIDVPXIZIUKQK-OPAMFIHVSA-N 1 0 416.953 3.477 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cncc(Oc3cccc(OC)c3)n1)C2 ZINC001164813320 720146750 /nfs/dbraw/zinc/14/67/50/720146750.db2.gz QFDVVPCEEDQKBV-NTKDMRAZSA-N 1 0 424.545 3.462 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccccc3OC)nn1)C2 ZINC001164819878 720170286 /nfs/dbraw/zinc/17/02/86/720170286.db2.gz YVGURGOQVWAGRI-NTKDMRAZSA-N 1 0 408.546 3.337 20 0 HGADRO Cn1nnc2c1CCN(c1cc(-c3ccccc3)ccn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718806 720174206 /nfs/dbraw/zinc/17/42/06/720174206.db2.gz RTNGIRGWURNCOF-JOCHJYFZSA-N 1 0 418.545 3.093 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3c(cccc3C(=O)OC)n1)C2 ZINC001164812436 720186636 /nfs/dbraw/zinc/18/66/36/720186636.db2.gz AQKGTLXCATVIJE-UUOWRZLLSA-N 1 0 409.530 3.206 20 0 HGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nccc(-c3ccc(F)cc3)n1)CCC2 ZINC001164812903 720220334 /nfs/dbraw/zinc/22/03/34/720220334.db2.gz KDMPZOSNQJUVJP-UHFFFAOYSA-N 1 0 422.508 3.090 20 0 HGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3c(Cl)ccnc3n1)CCC2 ZINC001164813547 720226653 /nfs/dbraw/zinc/22/66/53/720226653.db2.gz OLVQFIVROSUGKL-UHFFFAOYSA-N 1 0 412.925 3.090 20 0 HGADRO Cc1ccc(-c2ccc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)nn2)cc1 ZINC001164812322 720234469 /nfs/dbraw/zinc/23/44/69/720234469.db2.gz FIYPQYUSVNZJOK-UHFFFAOYSA-N 1 0 418.545 3.259 20 0 HGADRO CSc1ccc2ncnc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c2c1 ZINC001164818071 720243632 /nfs/dbraw/zinc/24/36/32/720243632.db2.gz WYOQQMCHHZSNMT-UHFFFAOYSA-N 1 0 424.574 3.159 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc(Cl)nc2)CC1 ZINC001164820331 720284645 /nfs/dbraw/zinc/28/46/45/720284645.db2.gz VUJYPFTVYRKHSV-DLBZAZTESA-N 1 0 412.912 3.191 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nccc3c(Cl)ccnc32)CC1 ZINC001164819978 720300514 /nfs/dbraw/zinc/30/05/14/720300514.db2.gz FTOIEMBPKRHQRJ-RBUKOAKNSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nnc(Cl)c3ccsc32)CC1 ZINC001164822656 720304944 /nfs/dbraw/zinc/30/49/44/720304944.db2.gz NXJRRYDBQWAUFL-JKSUJKDBSA-N 1 0 419.982 3.256 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cnc3c(Cl)cccc3n2)CC1 ZINC001164823160 720310057 /nfs/dbraw/zinc/31/00/57/720310057.db2.gz PAVTWIGLZJYJGB-RTBURBONSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc3cc(Cl)cnc3n2)CC1 ZINC001164826566 720314088 /nfs/dbraw/zinc/31/40/88/720314088.db2.gz VQOKNFVPVFVXKN-RBUKOAKNSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(Cl)nc3ncccc23)CC1 ZINC001164821298 720314472 /nfs/dbraw/zinc/31/44/72/720314472.db2.gz JVBAJBVUVXENOV-ZWKOTPCHSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc3nccc(Cl)c3cn2)CC1 ZINC001164827901 720315891 /nfs/dbraw/zinc/31/58/91/720315891.db2.gz YLGVQDJPRYHVGS-VQTJNVASSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nncc3cc(Cl)ccc32)CC1 ZINC001164833902 720320863 /nfs/dbraw/zinc/32/08/63/720320863.db2.gz XVLZZCNNKMMLNR-VQTJNVASSA-N 1 0 413.953 3.195 20 0 HGADRO CCOc1ccc(Cl)nc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827265 720323510 /nfs/dbraw/zinc/32/35/10/720323510.db2.gz HIUPILZZPNWARB-SJORKVTESA-N 1 0 406.958 3.045 20 0 HGADRO CC(C)COc1cccc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164823773 720332280 /nfs/dbraw/zinc/33/22/80/720332280.db2.gz BDNWIDKHQBANIR-PMACEKPBSA-N 1 0 400.567 3.028 20 0 HGADRO CCOC(=O)c1nc2ccccc2c(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164726642 720340192 /nfs/dbraw/zinc/34/01/92/720340192.db2.gz QTIUWCQPZBUDMP-PMACEKPBSA-N 1 0 403.486 3.055 20 0 HGADRO Cc1nc(C2CC2)nc(Cl)c1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164825019 720342177 /nfs/dbraw/zinc/34/21/77/720342177.db2.gz IMVYMXYQYYECIO-MSOLQXFVSA-N 1 0 417.985 3.227 20 0 HGADRO CC1CCN(C(=O)c2cccnc2N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)CC1 ZINC001164727971 720435220 /nfs/dbraw/zinc/43/52/20/720435220.db2.gz FMJQJMMKQJMUAA-FGZHOGPDSA-N 1 0 405.546 3.202 20 0 HGADRO COc1ccc(-c2ccc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nn2)c(OC)c1 ZINC001164735366 720457536 /nfs/dbraw/zinc/45/75/36/720457536.db2.gz WQXFFJDUPXAMDD-FGZHOGPDSA-N 1 0 417.513 3.409 20 0 HGADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2ccc3cnc(Cl)nc3c2)C1 ZINC001164725944 720518836 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HGADRO COc1cc2ccnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2cc1F ZINC001164877584 721184331 /nfs/dbraw/zinc/18/43/31/721184331.db2.gz OUCKOVXRWJXJDC-RTBURBONSA-N 1 0 408.477 3.257 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5[nH]c6ccc(Cl)cc6c54)C[C@@H]3C2)cn1 ZINC001164765062 721185730 /nfs/dbraw/zinc/18/57/30/721185730.db2.gz HOKTZBCPNXGBLK-HOTGVXAUSA-N 1 0 421.936 3.456 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5[nH]c6ccc(Cl)cc6c54)C[C@H]3C2)cn1 ZINC001164765068 721185764 /nfs/dbraw/zinc/18/57/64/721185764.db2.gz HOKTZBCPNXGBLK-JKSUJKDBSA-N 1 0 421.936 3.456 20 0 HGADRO CC(C)n1ccc2c1nc(Cl)nc2N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164771438 721186335 /nfs/dbraw/zinc/18/63/35/721186335.db2.gz PVBLRPXTMJMCMD-DLBZAZTESA-N 1 0 413.957 3.357 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)nc5c(Cl)nccc54)C[C@@H]3C2)cn1 ZINC001164762038 721189742 /nfs/dbraw/zinc/18/97/42/721189742.db2.gz CCTAQZYGCRCHOB-KBPBESRZSA-N 1 0 418.332 3.023 20 0 HGADRO Cc1cc(OCc2ccccc2)nc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164767246 721230991 /nfs/dbraw/zinc/23/09/91/721230991.db2.gz WMDITDSAIXENFQ-FGZHOGPDSA-N 1 0 418.545 3.056 20 0 HGADRO Cc1c(Cl)nc(C2CCC2)nc1N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164767139 721237911 /nfs/dbraw/zinc/23/79/11/721237911.db2.gz VXDQUJOXNAIMLH-MSOLQXFVSA-N 1 0 400.958 3.398 20 0 HGADRO Cc1c(Cl)nc(C2CCC2)nc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164767145 721238772 /nfs/dbraw/zinc/23/87/72/721238772.db2.gz VXDQUJOXNAIMLH-ZWKOTPCHSA-N 1 0 400.958 3.398 20 0 HGADRO c1cncc(OC[C@@H]2CC[C@H]3[C@H](CCN3c3cccc(OCC[NH+]4CCCC4)n3)O2)c1 ZINC001164879278 721249888 /nfs/dbraw/zinc/24/98/88/721249888.db2.gz XQWXEPPRYVCSMY-FKBYEOEOSA-N 1 0 424.545 3.157 20 0 HGADRO COc1cc(Cl)ncc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164777836 721344442 /nfs/dbraw/zinc/34/44/42/721344442.db2.gz IPNCBWDQGMITRN-NRFANRHFSA-N 1 0 420.941 3.467 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(Cl)nc4)C3)O2)CC1 ZINC001164894121 721377792 /nfs/dbraw/zinc/37/77/92/721377792.db2.gz XTEGBPQQDUMJDL-PKOBYXMFSA-N 1 0 414.928 3.045 20 0 HGADRO COc1ccc2nc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c(C)cc2c1 ZINC001164887119 721380705 /nfs/dbraw/zinc/38/07/05/721380705.db2.gz HAKMCMFAEIVXEN-DHLKQENFSA-N 1 0 424.589 3.317 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncnc5c(Cl)cccc54)C3)O2)CC1 ZINC001164884398 721393736 /nfs/dbraw/zinc/39/37/36/721393736.db2.gz APMPCVIWERWSOK-HTAPYJJXSA-N 1 0 415.969 3.049 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncc5cc(Cl)ccc5n4)C3)O2)CC1 ZINC001164887204 721416741 /nfs/dbraw/zinc/41/67/41/721416741.db2.gz LJQWWMRZAJWMEC-UGKGYDQZSA-N 1 0 415.969 3.049 20 0 HGADRO COc1ccc2c(C)cc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nc2c1 ZINC001164884083 721421930 /nfs/dbraw/zinc/42/19/30/721421930.db2.gz DAPYKUWZXSYGOC-BWKNWUBXSA-N 1 0 424.589 3.317 20 0 HGADRO Cc1cccc(-c2ccc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nn2)c1 ZINC001164898779 721434914 /nfs/dbraw/zinc/43/49/14/721434914.db2.gz WZIZBDBIDAOJSB-DHLKQENFSA-N 1 0 421.589 3.217 20 0 HGADRO CC(C)c1c(Cl)ncnc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892230 721446191 /nfs/dbraw/zinc/44/61/91/721446191.db2.gz HTVLTDHPWLMPNE-LAUBAEHRSA-N 1 0 407.990 3.019 20 0 HGADRO Cc1c(Cl)nc(C(C)C)nc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164895447 721446720 /nfs/dbraw/zinc/44/67/20/721446720.db2.gz PDQNQWWFSUPLBI-XMSQKQJNSA-N 1 0 422.017 3.327 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(OC)cc(Cl)n1)CC2 ZINC001164785798 721458295 /nfs/dbraw/zinc/45/82/95/721458295.db2.gz NPOVVHRBPLODMG-GOSISDBHSA-N 1 0 423.985 3.478 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3cccnc3n1)CC2 ZINC001164784676 721458343 /nfs/dbraw/zinc/45/83/43/721458343.db2.gz JMDCGSUMTJWINJ-OAQYLSRUSA-N 1 0 410.562 3.364 20 0 HGADRO 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/nfs/dbraw/zinc/81/44/37/721814437.db2.gz URGGWCZXMYSATC-VLCRHTCISA-N 1 0 405.546 3.106 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(C(N)=O)cc4ccccc43)C[C@H]21 ZINC001165030548 721825793 /nfs/dbraw/zinc/82/57/93/721825793.db2.gz ZSKMLURMGQOBJV-QTGUNEKASA-N 1 0 415.541 3.466 20 0 HGADRO CCN(CC)c1cncc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)n1 ZINC001165020247 721842707 /nfs/dbraw/zinc/84/27/07/721842707.db2.gz AVSXPEFLYSRSJP-UHFFFAOYSA-N 1 0 413.566 3.441 20 0 HGADRO CN(C)C(=O)c1cc2cnc(N3CC[NH+](C4CCCC4)CC3)nc2n1C1CCCC1 ZINC001165027965 721856306 /nfs/dbraw/zinc/85/63/06/721856306.db2.gz DWLMBDPJNJCCMX-UHFFFAOYSA-N 1 0 410.566 3.313 20 0 HGADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(-c2ccccc2)nc(-c2ccccc2)n1 ZINC001164924079 721861436 /nfs/dbraw/zinc/86/14/36/721861436.db2.gz BSHYMQJXEVDRHB-YADHBBJMSA-N 1 0 414.557 3.420 20 0 HGADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nnc(Cc2ccccc2)c2ccccc21 ZINC001164929403 721877019 /nfs/dbraw/zinc/87/70/19/721877019.db2.gz 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424.879 3.282 20 0 HGADRO COc1ccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ccc2c1 ZINC001164971935 722109570 /nfs/dbraw/zinc/10/95/70/722109570.db2.gz DUHCXFKFPVORPT-NZQKXSOJSA-N 1 0 404.514 3.366 20 0 HGADRO Clc1ccnc2cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncc12 ZINC001164971856 722113470 /nfs/dbraw/zinc/11/34/70/722113470.db2.gz CRRZQASFVTUBEB-UTKZUKDTSA-N 1 0 409.921 3.406 20 0 HGADRO CCOc1cc(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164981526 722114674 /nfs/dbraw/zinc/11/46/74/722114674.db2.gz ULVPKFUMFIWVRM-IEBWSBKVSA-N 1 0 402.926 3.256 20 0 HGADRO Clc1ccc2c(cnnc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164981166 722121744 /nfs/dbraw/zinc/12/17/44/722121744.db2.gz TZMGALLBHGFTCJ-UTKZUKDTSA-N 1 0 409.921 3.406 20 0 HGADRO Clc1cccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncc12 ZINC001164975107 722123127 /nfs/dbraw/zinc/12/31/27/722123127.db2.gz JLCPAMYMXYSYAU-LAUBAEHRSA-N 1 0 409.921 3.406 20 0 HGADRO CCOc1ccc(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981170 722125135 /nfs/dbraw/zinc/12/51/35/722125135.db2.gz UADDAZHNWPJOSI-MJGOQNOKSA-N 1 0 402.926 3.256 20 0 HGADRO Cc1ccc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)o1 ZINC001164974402 722147833 /nfs/dbraw/zinc/14/78/33/722147833.db2.gz DRMFDXAFNSDCAI-UGKGYDQZSA-N 1 0 405.502 3.167 20 0 HGADRO Fc1ccccc1-c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164977039 722148181 /nfs/dbraw/zinc/14/81/81/722148181.db2.gz IAVBYYPFEVVSOE-AUSIDOKSSA-N 1 0 419.504 3.405 20 0 HGADRO CC(C)c1c(Cl)ncnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973350 722153271 /nfs/dbraw/zinc/15/32/71/722153271.db2.gz LXYYDISJJXIYRI-MSOLQXFVSA-N 1 0 401.942 3.376 20 0 HGADRO Fc1ccc(-c2cncc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164971139 722153956 /nfs/dbraw/zinc/15/39/56/722153956.db2.gz AUDYYFGZWJBRDS-NZQKXSOJSA-N 1 0 419.504 3.405 20 0 HGADRO CC(C)CN1c2ccccc2[C@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)CC[C@@H]21 ZINC001165003695 722245234 /nfs/dbraw/zinc/24/52/34/722245234.db2.gz LMKVGHMWEPVXSN-IRLDBZIGSA-N 1 0 406.578 3.067 20 0 HGADRO COc1ccc2nc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)cc(C)c2c1 ZINC001165002549 722253900 /nfs/dbraw/zinc/25/39/00/722253900.db2.gz PROZOUWUPCEKJX-UHFFFAOYSA-N 1 0 409.534 3.237 20 0 HGADRO CCc1ccc(-c2ccc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nn2)cc1 ZINC001165003764 722257011 /nfs/dbraw/zinc/25/70/11/722257011.db2.gz HAIIJQBVXHXZPH-UHFFFAOYSA-N 1 0 420.561 3.391 20 0 HGADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccccc1I ZINC001179277466 1126151611 /nfs/dbraw/zinc/15/16/11/1126151611.db2.gz HREULJDWHZPWGB-GOSISDBHSA-N 1 0 411.283 3.383 20 0 HGADRO COC(=O)c1ccc(-c2nc(C[NH2+][C@@](C)(CO)Cc3ccccc3OC)co2)cc1 ZINC001197303266 1126154169 /nfs/dbraw/zinc/15/41/69/1126154169.db2.gz CBBVLILSHQWIEW-HSZRJFAPSA-N 1 0 410.470 3.220 20 0 HGADRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC001205425610 1126159375 /nfs/dbraw/zinc/15/93/75/1126159375.db2.gz BEHYJSOIVIFEFP-SFHVURJKSA-N 1 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CCOC(=O)Cn1cc(C[NH2+][C@H](CO)Cc2ccc(C)cc2)c(-c2ccccc2)n1 ZINC001462095329 1126197421 /nfs/dbraw/zinc/19/74/21/1126197421.db2.gz KPOKTHRKFJRDMW-QFIPXVFZSA-N 1 0 407.514 3.115 20 0 HGADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2cn3ccccc3n2)s1 ZINC000556234242 370702870 /nfs/dbraw/zinc/70/28/70/370702870.db2.gz OJTMGSUMLSDIOZ-OAHLLOKOSA-N 1 0 406.577 3.320 20 0 HGADRO COC(=O)c1cc(C[N@@H+]2CCC[C@@H](c3nn(-c4ccccc4)cc3C(N)=O)C2)c[nH]1 ZINC000328602559 569416613 /nfs/dbraw/zinc/41/66/13/569416613.db2.gz CBRPZDKLZPJPDH-MRXNPFEDSA-N 1 0 407.474 3.250 20 0 HGADRO c1cnc(-c2noc([C@@]34CCC[C@@H]3C[N@@H+](Cc3ccc(N5CCCC5)nc3)C4)n2)cn1 ZINC000328604101 569417248 /nfs/dbraw/zinc/41/72/48/569417248.db2.gz INNKFEYNUNGNRB-WZONZLPQSA-N 1 0 417.517 3.076 20 0 HGADRO c1c(-c2ccccc2)c2c(ncnc2N2CCN3CC[NH2+]C[C@H]3C2)n1-c1ccccc1 ZINC001164402278 718839583 /nfs/dbraw/zinc/83/95/83/718839583.db2.gz FIMYMBHXVRRVSF-NRFANRHFSA-N 1 0 410.525 3.181 20 0 HGADRO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CCO[C@H]2C[NH2+]CC[C@H]2C1 ZINC001164407041 718861807 /nfs/dbraw/zinc/86/18/07/718861807.db2.gz VXCFURQLZDYSJV-HZMBPMFUSA-N 1 0 403.260 3.296 20 0 HGADRO Fc1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@H]4C3)c(Cl)nn2)c1 ZINC001164404977 718865388 /nfs/dbraw/zinc/86/53/88/718865388.db2.gz BYFRSWBOBZQWAZ-SUMWQHHRSA-N 1 0 412.843 3.296 20 0 HGADRO F[C@]1(N2CC[C@H]3[NH2+]CC[C@H]32)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164410992 718875016 /nfs/dbraw/zinc/87/50/16/718875016.db2.gz KVLWKYNTHOASHN-QINHECLXSA-N 1 0 422.335 3.358 20 0 HGADRO CN(C)c1cc(C(F)(F)N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc(Cl)n1 ZINC001164413314 718881687 /nfs/dbraw/zinc/88/16/87/718881687.db2.gz HNJSJIWUVHFCBE-LLVKDONJSA-N 1 0 413.822 3.394 20 0 HGADRO FC(F)(c1cccc2c(Cl)nccc21)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164415829 718885268 /nfs/dbraw/zinc/88/52/68/718885268.db2.gz NBPGTHPEOZVKQZ-UHFFFAOYSA-N 1 0 404.852 3.124 20 0 HGADRO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164416543 718885965 /nfs/dbraw/zinc/88/59/65/718885965.db2.gz YZKHOTNGSKPCLF-UHFFFAOYSA-N 1 0 420.851 3.230 20 0 HGADRO [NH3+][C@]12C[C@H]1CCN([C@@]1(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc31)C2 ZINC001164421737 718895518 /nfs/dbraw/zinc/89/55/18/718895518.db2.gz SBBJRWUHOZBYSG-UAOJZALGSA-N 1 0 422.335 3.345 20 0 HGADRO Cc1sc2nc(CN3CCOCC3)nc(N3CCCCC34CC[NH2+]CC4)c2c1C ZINC001164419841 718911118 /nfs/dbraw/zinc/91/11/18/718911118.db2.gz CQSYGOHLZREYCW-UHFFFAOYSA-N 1 0 415.607 3.253 20 0 HGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2ccccc2)nnc1Cl ZINC001164616508 719017250 /nfs/dbraw/zinc/01/72/50/719017250.db2.gz KWNJSIDAHLAONH-COXVUDFISA-N 1 0 422.863 3.072 20 0 HGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc(Cl)nc1C(F)(F)F ZINC001164620183 719019120 /nfs/dbraw/zinc/01/91/20/719019120.db2.gz YAMZJQUDAKMFRO-LSJOCFKGSA-N 1 0 413.774 3.029 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(-c4ccc(OC)cc4)nn3)CC2)CC1 ZINC001164618633 719031646 /nfs/dbraw/zinc/03/16/46/719031646.db2.gz WQUBLCVASCGZIO-UHFFFAOYSA-N 1 0 424.545 3.396 20 0 HGADRO CCOC(=O)Cc1c(Cl)ncnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164623601 719079931 /nfs/dbraw/zinc/07/99/31/719079931.db2.gz JWPLDNVHRDBNBA-IEBWSBKVSA-N 1 0 414.937 3.336 20 0 HGADRO O=c1ccccn1Cc1ccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC001164632566 719100806 /nfs/dbraw/zinc/10/08/06/719100806.db2.gz ZRSWAQPOPNBMRV-PKTZIBPZSA-N 1 0 400.526 3.392 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](N3CCCC3=O)[C@H]3OCCC[C@H]3C2)nc1 ZINC001164646022 719305722 /nfs/dbraw/zinc/30/57/22/719305722.db2.gz AVLUJUXDMCANRD-BLRYILKCSA-N 1 0 412.578 3.235 20 0 HGADRO c1cc(OCC[NH+]2CCCC2)nc(N2CCO[C@@H]3[C@@H](OCC4CCCC4)CC[C@@H]32)c1 ZINC001164663653 719343259 /nfs/dbraw/zinc/34/32/59/719343259.db2.gz ZRDSUYANEMKJKA-HFMPRLQTSA-N 1 0 415.578 3.499 20 0 HGADRO CCOc1cc2ncnc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c2cc1OCC ZINC001164681517 719623014 /nfs/dbraw/zinc/62/30/14/719623014.db2.gz GYHZPZZWGLMHIC-UHFFFAOYSA-N 1 0 424.549 3.099 20 0 HGADRO CC(C)N(C)Cc1nn(C(F)(F)c2cc3cc[nH]c3c(Cl)n2)c2c1CC[NH2+]C2 ZINC001164680145 719634335 /nfs/dbraw/zinc/63/43/35/719634335.db2.gz PZBGOGDUOSQMDS-UHFFFAOYSA-N 1 0 408.884 3.496 20 0 HGADRO Cc1ncnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1C ZINC001164680310 719665118 /nfs/dbraw/zinc/66/51/18/719665118.db2.gz FFTDKYXVTMNUBP-HXUWFJFHSA-N 1 0 421.589 3.187 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(Cl)nc(-c3ccc(F)cc3)n1)CC2 ZINC001164689850 719745165 /nfs/dbraw/zinc/74/51/65/719745165.db2.gz LZTGGKAKWJYOQL-UHFFFAOYSA-N 1 0 417.916 3.117 20 0 HGADRO CCOC(=O)c1nccc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164691265 719814700 /nfs/dbraw/zinc/81/47/00/719814700.db2.gz CFKLCLGJAYKEMM-UHFFFAOYSA-N 1 0 401.536 3.053 20 0 HGADRO O=C1COC2(CCN(c3ncccc3C[NH+]3CCCC3)CC2)CN1c1ccccc1 ZINC001164700365 719836957 /nfs/dbraw/zinc/83/69/57/719836957.db2.gz JQDJWNHSWCFCEL-UHFFFAOYSA-N 1 0 406.530 3.080 20 0 HGADRO CCOC(=O)c1cccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164695265 719890635 /nfs/dbraw/zinc/89/06/35/719890635.db2.gz KKVOBLPUWDFJNO-UHFFFAOYSA-N 1 0 401.532 3.191 20 0 HGADRO CC(C)COc1cncc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164705945 719898232 /nfs/dbraw/zinc/89/82/32/719898232.db2.gz GHAKHUFQNUBBJV-UHFFFAOYSA-N 1 0 402.564 3.444 20 0 HGADRO COCc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)nc(-c2ccccc2)n1 ZINC001164810392 720077288 /nfs/dbraw/zinc/07/72/88/720077288.db2.gz LMFCQEQRKIMCOL-SQJMNOBHSA-N 1 0 422.573 3.475 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nc(OC)c1)C2 ZINC001164811405 720079818 /nfs/dbraw/zinc/07/98/18/720079818.db2.gz OGKGWXLTVCNLSA-QFBILLFUSA-N 1 0 415.912 3.473 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nc(C)n1)C2 ZINC001164808533 720086255 /nfs/dbraw/zinc/08/62/55/720086255.db2.gz HWDMRYAKEDOSMB-YJBOKZPZSA-N 1 0 400.901 3.168 20 0 HGADRO CCOC(=O)c1ccnc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c1 ZINC001164710034 720098279 /nfs/dbraw/zinc/09/82/79/720098279.db2.gz 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COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(Cl)cc1N)CC2 ZINC001164710398 720137681 /nfs/dbraw/zinc/13/76/81/720137681.db2.gz AVIMJDZTBRGMBM-GOSISDBHSA-N 1 0 401.942 3.220 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc3c(n1)-c1ccccc1CC3)C2 ZINC001164817805 720150100 /nfs/dbraw/zinc/15/01/00/720150100.db2.gz QHJGXRLFOWFUPE-SQJMNOBHSA-N 1 0 404.558 3.427 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3c(n1)CCCC3)CC2 ZINC001164713880 720151349 /nfs/dbraw/zinc/15/13/49/720151349.db2.gz TXMPYVKADLXDOD-NRFANRHFSA-N 1 0 407.562 3.258 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(-c3ccccc3OC)ncn1)C2 ZINC001164812424 720175537 /nfs/dbraw/zinc/17/55/37/720175537.db2.gz ANSUWJVSZXZLEZ-YADARESESA-N 1 0 408.546 3.337 20 0 HGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nnc(Cl)c3ccsc31)CCC2 ZINC001164811445 720216523 /nfs/dbraw/zinc/21/65/23/720216523.db2.gz HZXUWJQYFPEYPN-UHFFFAOYSA-N 1 0 418.954 3.152 20 0 HGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc3nccc(Cl)c3cn1)CCC2 ZINC001164812959 720221008 /nfs/dbraw/zinc/22/10/08/720221008.db2.gz KXYKYDSXXMAICF-UHFFFAOYSA-N 1 0 412.925 3.090 20 0 HGADRO Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(C[NH+]3CCCC3)cn2)cs1 ZINC001164816278 720258322 /nfs/dbraw/zinc/25/83/22/720258322.db2.gz HIPKJRDRIYLJBM-UXHICEINSA-N 1 0 411.575 3.212 20 0 HGADRO Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncccc2C[NH+]2CCCC2)cs1 ZINC001164818350 720260641 /nfs/dbraw/zinc/26/06/41/720260641.db2.gz YSOSXXJTPXLVPU-VQTJNVASSA-N 1 0 411.575 3.212 20 0 HGADRO Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncccc2C[NH+]2CCCC2)cs1 ZINC001164818348 720260853 /nfs/dbraw/zinc/26/08/53/720260853.db2.gz YSOSXXJTPXLVPU-UXHICEINSA-N 1 0 411.575 3.212 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cccnc2Cl)CC1 ZINC001164818605 720289614 /nfs/dbraw/zinc/28/96/14/720289614.db2.gz ASPSYKXEDUDTBM-DLBZAZTESA-N 1 0 412.912 3.191 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nnc(Cl)c3ccsc32)CC1 ZINC001164822653 720305513 /nfs/dbraw/zinc/30/55/13/720305513.db2.gz NXJRRYDBQWAUFL-CVEARBPZSA-N 1 0 419.982 3.256 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3cc(Cl)ccc32)CC1 ZINC001164821628 720310334 /nfs/dbraw/zinc/31/03/34/720310334.db2.gz LMGJQBFSJVDFHM-WOJBJXKFSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cccc(OC(C)(C)C)n2)CC1 ZINC001164830247 720323691 /nfs/dbraw/zinc/32/36/91/720323691.db2.gz PGEAZULPZFSCFU-RTBURBONSA-N 1 0 400.567 3.170 20 0 HGADRO CCOC(=O)c1sc2ncnc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164728390 720330570 /nfs/dbraw/zinc/33/05/70/720330570.db2.gz VLLHWSNPOQLXGW-IAGOWNOFSA-N 1 0 423.542 3.425 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(-c3cccs3)ncn2)CC1 ZINC001164829364 720342645 /nfs/dbraw/zinc/34/26/45/720342645.db2.gz RODLYLUXZLOYTD-RBUKOAKNSA-N 1 0 411.575 3.117 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cncc(-c3ccc(F)cc3)n2)CC1 ZINC001164827989 720351354 /nfs/dbraw/zinc/35/13/54/720351354.db2.gz NQIOJHATVZPWRX-VXKWHMMOSA-N 1 0 423.536 3.194 20 0 HGADRO COc1cc2nc(C)nc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2cc1OC ZINC001164723747 720386470 /nfs/dbraw/zinc/38/64/70/720386470.db2.gz HDDFPGVWCFZPLG-VQTJNVASSA-N 1 0 405.502 3.204 20 0 HGADRO COC(=O)c1cc2c(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)[nH]c(Cl)cc-2n1 ZINC001164731737 720412229 /nfs/dbraw/zinc/41/22/29/720412229.db2.gz MDLFKLCVALUDAD-ZWKOTPCHSA-N 1 0 411.893 3.251 20 0 HGADRO C[NH+](C)Cc1ccnc(N2CCOC[C@]3(C[C@H](CNc4cccc(F)c4)CO3)C2)c1 ZINC001164729509 720496262 /nfs/dbraw/zinc/49/62/62/720496262.db2.gz RHXSYLSFJMGCFX-XXBNENTESA-N 1 0 414.525 3.006 20 0 HGADRO Cc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1NCC1CC1 ZINC001164836531 720504664 /nfs/dbraw/zinc/50/46/64/720504664.db2.gz MXTPSYUJSWEXIA-NJDAHSKKSA-N 1 0 409.582 3.181 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3ccnc(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839382 720505012 /nfs/dbraw/zinc/50/50/12/720505012.db2.gz TUHGOMUZRBWWQR-HRCADAONSA-N 1 0 410.900 3.249 20 0 HGADRO COC(=O)c1cnc(Cl)cc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164841231 720508516 /nfs/dbraw/zinc/50/85/16/720508516.db2.gz XYKDAGJROIFUHO-LZLYRXPVSA-N 1 0 417.941 3.096 20 0 HGADRO COC(=O)c1cc(Cl)cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164833284 720511701 /nfs/dbraw/zinc/51/17/01/720511701.db2.gz CSFDUCMGNNPBAD-KVSKMBFKSA-N 1 0 417.941 3.096 20 0 HGADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2ccc3nc(Cl)cnc3c2)C1 ZINC001164730053 720513048 /nfs/dbraw/zinc/51/30/48/720513048.db2.gz QOUWQVDZHAKDIY-ZDUSSCGKSA-N 1 0 406.868 3.223 20 0 HGADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2ccc3nc(Cl)cnc3c2)C1 ZINC001164730052 720513102 /nfs/dbraw/zinc/51/31/02/720513102.db2.gz QOUWQVDZHAKDIY-CYBMUJFWSA-N 1 0 406.868 3.223 20 0 HGADRO CSc1ccc(Oc2cc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)ncn2)cc1 ZINC001164735501 720521495 /nfs/dbraw/zinc/52/14/95/720521495.db2.gz YVELDYXGVWAMNQ-INIZCTEOSA-N 1 0 410.547 3.385 20 0 HGADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cc(F)ccc2Oc2ccc(Cl)nn2)C1 ZINC001164735184 720523944 /nfs/dbraw/zinc/52/39/44/720523944.db2.gz VVZINEVOJLGFRT-AWEZNQCLSA-N 1 0 416.888 3.456 20 0 HGADRO COc1ccc2cnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2c1 ZINC001164839431 720526455 /nfs/dbraw/zinc/52/64/55/720526455.db2.gz UGRJUSKBFMNTQS-NNMXDRDESA-N 1 0 406.534 3.213 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4cnccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834913 720527340 /nfs/dbraw/zinc/52/73/40/720527340.db2.gz IFEAFYPKEXZQMK-JTDSTZFVSA-N 1 0 411.941 3.253 20 0 HGADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cc(F)ccc2-c2ccc(Cl)nn2)C1 ZINC001164735653 720527896 /nfs/dbraw/zinc/52/78/96/720527896.db2.gz ZTVBDKSRRIGUQF-AWEZNQCLSA-N 1 0 400.889 3.331 20 0 HGADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(-c3ccccn3)nc3sccc32)C1 ZINC001164736059 720530176 /nfs/dbraw/zinc/53/01/76/720530176.db2.gz UWQXJRLBWDUZSM-HNNXBMFYSA-N 1 0 405.531 3.148 20 0 HGADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)Oc2cc(Cl)nc(Cl)c2)C1 ZINC001164733148 720533987 /nfs/dbraw/zinc/53/39/87/720533987.db2.gz BBZOMNAQHIUVQM-NSHDSACASA-N 1 0 406.264 3.208 20 0 HGADRO CN(C)c1cc(Cl)nc(C(F)(F)N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)n1 ZINC001164736252 720544050 /nfs/dbraw/zinc/54/40/50/720544050.db2.gz WWJZMLRHTDSXMX-ZDUSSCGKSA-N 1 0 417.932 3.257 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cnnc(Cl)c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841383 720545078 /nfs/dbraw/zinc/54/50/78/720545078.db2.gz URYVWIXXKKLUHC-HYVNUMGLSA-N 1 0 410.900 3.249 20 0 HGADRO CCOc1c(Cl)ncnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164840187 720554744 /nfs/dbraw/zinc/55/47/44/720554744.db2.gz SBQKXMAREOWGRX-BRWVUGGUSA-N 1 0 404.946 3.103 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(N)cc(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840182 720558891 /nfs/dbraw/zinc/55/88/91/720558891.db2.gz SBOQOKWMTHRRDP-HYVNUMGLSA-N 1 0 424.927 3.436 20 0 HGADRO FC(F)(COc1ccnc(Cl)c1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164729680 720564332 /nfs/dbraw/zinc/56/43/32/720564332.db2.gz SPMSOUWYCWVSSV-UHFFFAOYSA-N 1 0 411.884 3.057 20 0 HGADRO COc1ccc(C(F)(F)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc1Cl ZINC001164728136 720570761 /nfs/dbraw/zinc/57/07/61/720570761.db2.gz KEOHGRYCAMLYSM-UHFFFAOYSA-N 1 0 411.884 3.144 20 0 HGADRO COC(=O)/C=C\c1cc(C)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164842211 720580657 /nfs/dbraw/zinc/58/06/57/720580657.db2.gz UMDXKJOVRYTKOS-PJVMXSJMSA-N 1 0 423.561 3.151 20 0 HGADRO FC(F)(c1cc(C2CC2)nnc1Cl)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164737021 720584656 /nfs/dbraw/zinc/58/46/56/720584656.db2.gz YVDZORROSBINFY-UHFFFAOYSA-N 1 0 422.911 3.407 20 0 HGADRO Cc1noc(-c2ccnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2)n1 ZINC001164842900 720613854 /nfs/dbraw/zinc/61/38/54/720613854.db2.gz WGDBCWBMIFAXAN-SLFFLAALSA-N 1 0 407.522 3.014 20 0 HGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(-c4ccccn4)nn3)CC[C@@H]21 ZINC001164841664 720620725 /nfs/dbraw/zinc/62/07/25/720620725.db2.gz 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COc1ccccc1-c1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nn1 ZINC001164872514 721146707 /nfs/dbraw/zinc/14/67/07/721146707.db2.gz HJVWIQARMKVMHK-WOJBJXKFSA-N 1 0 417.513 3.027 20 0 HGADRO Fc1ccc2c(Cl)nnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164878976 721169904 /nfs/dbraw/zinc/16/99/04/721169904.db2.gz RDHUHKQGKVBLLR-DLBZAZTESA-N 1 0 413.884 3.297 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cccc(OCc5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164768702 721173221 /nfs/dbraw/zinc/17/32/21/721173221.db2.gz LOQYPSZFKIPFES-FGZHOGPDSA-N 1 0 403.530 3.352 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5[nH]c6ccc(Cl)cc6c54)C[C@@H]3C2)cn1 ZINC001164765056 721184985 /nfs/dbraw/zinc/18/49/85/721184985.db2.gz HOKTZBCPNXGBLK-CVEARBPZSA-N 1 0 421.936 3.456 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(NC(=O)OC(C)(C)C)cn4)C[C@H]3C2)cn1 ZINC001164764173 721188580 /nfs/dbraw/zinc/18/85/80/721188580.db2.gz GKIBLLILJOKEKK-ZWKOTPCHSA-N 1 0 412.538 3.120 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncccc4OCc4ccc(F)cc4)C[C@H]3C2)cn1 ZINC001164770880 721213621 /nfs/dbraw/zinc/21/36/21/721213621.db2.gz PALARRALXAMTLW-NHCUHLMSSA-N 1 0 421.520 3.492 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc5nc(Cl)cnc5cc4F)C[C@H]3C2)cn1 ZINC001164768508 721214177 /nfs/dbraw/zinc/21/41/77/721214177.db2.gz LFCDNGSEJVJQBN-HUUCEWRRSA-N 1 0 400.889 3.114 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(SCc5ccccc5)ncn4)C[C@@H]3C2)cn1 ZINC001164769141 721222696 /nfs/dbraw/zinc/22/26/96/721222696.db2.gz LTHOJZYGUHIPQB-SFTDATJTSA-N 1 0 420.586 3.461 20 0 HGADRO CCN1C(=O)[C@]2(CC[C@@H]3CN(c4ccc([C@@H]5CCCC[N@@H+]5CC)cn4)C[C@H]32)N=C1C ZINC001164876235 721234292 /nfs/dbraw/zinc/23/42/92/721234292.db2.gz YWUFKWXJEXYYMQ-IUBSTNSRSA-N 1 0 409.578 3.494 20 0 HGADRO Cc1c(Cl)nc(CC(C)C)nc1N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164763938 721235092 /nfs/dbraw/zinc/23/50/92/721235092.db2.gz OHBMFIUUECDXRR-MSOLQXFVSA-N 1 0 402.974 3.329 20 0 HGADRO Cc1cc(-c2ccccc2F)nnc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164761544 721236266 /nfs/dbraw/zinc/23/62/66/721236266.db2.gz JJLGDCZRBKMTHT-RBUKOAKNSA-N 1 0 406.509 3.283 20 0 HGADRO Cc1cc(-c2ccccc2F)nnc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164761543 721236507 /nfs/dbraw/zinc/23/65/07/721236507.db2.gz JJLGDCZRBKMTHT-OALUTQOASA-N 1 0 406.509 3.283 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4c(F)ccc5c(Cl)ncnc54)C[C@H]3C2)cn1 ZINC001164764886 721244019 /nfs/dbraw/zinc/24/40/19/721244019.db2.gz QIIOSFGVGYSOLM-LSDHHAIUSA-N 1 0 400.889 3.114 20 0 HGADRO CCN1CC[C@@]2(CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@@H]2C)C1=O ZINC001164777295 721317792 /nfs/dbraw/zinc/31/77/92/721317792.db2.gz JNQWZOGNMFFMMW-DFBJGRDBSA-N 1 0 404.558 3.335 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3OCC[C@]3(C(=O)NCC3CC3)C2)nc1 ZINC001164882876 721345617 /nfs/dbraw/zinc/34/56/17/721345617.db2.gz IGZNSKPHKUSBLF-LGVFNWMJSA-N 1 0 412.578 3.140 20 0 HGADRO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4[nH]c(C)c(C)c43)C2)C1 ZINC001164776196 721352409 /nfs/dbraw/zinc/35/24/09/721352409.db2.gz ALEZDMYMSAEIGZ-HSZRJFAPSA-N 1 0 424.549 3.299 20 0 HGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(Cl)nc4)C3)O2)CC1 ZINC001164894119 721377722 /nfs/dbraw/zinc/37/77/22/721377722.db2.gz XTEGBPQQDUMJDL-IEBWSBKVSA-N 1 0 414.928 3.045 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(Cl)nc4)C3)O2)CC1 ZINC001164894118 721378075 /nfs/dbraw/zinc/37/80/75/721378075.db2.gz XTEGBPQQDUMJDL-HKUYNNGSSA-N 1 0 414.928 3.045 20 0 HGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nccc5c(Cl)ccnc54)C3)O2)CC1 ZINC001164888482 721390689 /nfs/dbraw/zinc/39/06/89/721390689.db2.gz JJHSVDBEJZGZFS-VGSWGCGISA-N 1 0 415.969 3.049 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncnc5ccc(Cl)cc54)C3)O2)CC1 ZINC001164892258 721392711 /nfs/dbraw/zinc/39/27/11/721392711.db2.gz SMSKQCDKAVEKKO-AVRDEDQJSA-N 1 0 415.969 3.049 20 0 HGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncnc5ccc(Cl)cc54)C3)O2)CC1 ZINC001164892264 721392838 /nfs/dbraw/zinc/39/28/38/721392838.db2.gz SMSKQCDKAVEKKO-XMSQKQJNSA-N 1 0 415.969 3.049 20 0 HGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncnc5cc(Cl)ccc54)C3)O2)CC1 ZINC001164887675 721401186 /nfs/dbraw/zinc/40/11/86/721401186.db2.gz MDPMKZSLFIDZKW-GCJKJVERSA-N 1 0 415.969 3.049 20 0 HGADRO COc1ccc2nc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)ccc2c1 ZINC001164890963 721401189 /nfs/dbraw/zinc/40/11/89/721401189.db2.gz UUGYKAGAZRSWAH-URXFXBBRSA-N 1 0 410.562 3.009 20 0 HGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc5ccccc5nc4Cl)C3)O2)CC1 ZINC001164885696 721403172 /nfs/dbraw/zinc/40/31/72/721403172.db2.gz HAWCRWROMBMIKG-VGOFRKELSA-N 1 0 415.969 3.049 20 0 HGADRO CCc1cc2c(ncnc2N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)s1 ZINC001164883921 721409238 /nfs/dbraw/zinc/40/92/38/721409238.db2.gz CRDOKZNDEQMVCY-VGOFRKELSA-N 1 0 415.607 3.019 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncc5ccc(Cl)cc5n4)C3)O2)CC1 ZINC001164884549 721418921 /nfs/dbraw/zinc/41/89/21/721418921.db2.gz DUUYYIXZKGTTSW-SIKLNZKXSA-N 1 0 415.969 3.049 20 0 HGADRO COC(=O)c1cc2c(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)[nH]c(Cl)cc-2n1 ZINC001164785519 721419723 /nfs/dbraw/zinc/41/97/23/721419723.db2.gz MZIJHWVWELGWPW-TXEJJXNPSA-N 1 0 417.922 3.028 20 0 HGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc5c(Cl)ccnc5cn4)C3)O2)CC1 ZINC001164892998 721421210 /nfs/dbraw/zinc/42/12/10/721421210.db2.gz ZUXCSUANCPIBOW-VGOFRKELSA-N 1 0 415.969 3.049 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc5nccc(Cl)c5n4)C3)O2)CC1 ZINC001164894925 721429099 /nfs/dbraw/zinc/42/90/99/721429099.db2.gz NKVOIRPTHUHLRH-JTSKRJEESA-N 1 0 415.969 3.049 20 0 HGADRO Cc1c(Cl)cnc(Cl)c1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892238 721429115 /nfs/dbraw/zinc/42/91/15/721429115.db2.gz HUDWMBZRMNMKFN-JXFKEZNVSA-N 1 0 413.393 3.462 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)cc(Cl)n1)CC2 ZINC001164783277 721450023 /nfs/dbraw/zinc/45/00/23/721450023.db2.gz BDRMMOSWJXPZDU-GOSISDBHSA-N 1 0 408.974 3.172 20 0 HGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)nc3c1CCC3)CC2 ZINC001164788590 721463990 /nfs/dbraw/zinc/46/39/90/721463990.db2.gz ULOQPDNVGHDWDP-FQEVSTJZSA-N 1 0 414.594 3.008 20 0 HGADRO CCc1cc(CC)nc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1 ZINC001164788790 721473131 /nfs/dbraw/zinc/47/31/31/721473131.db2.gz KXGCPRHYXIKMHO-JOCHJYFZSA-N 1 0 416.610 3.335 20 0 HGADRO O=C1CCC2(CCN(c3ncccc3C[NH+]3CCCC3)CC2)N1Cc1ccncc1 ZINC001164901036 721507305 /nfs/dbraw/zinc/50/73/05/721507305.db2.gz WDNWQENSNBJVKY-UHFFFAOYSA-N 1 0 405.546 3.234 20 0 HGADRO Cc1cc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc2cc(Cl)ccc12 ZINC001164797113 721516148 /nfs/dbraw/zinc/51/61/48/721516148.db2.gz GTPJJBRXOZYOBO-UHFFFAOYSA-N 1 0 410.953 3.161 20 0 HGADRO Nc1cc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164907715 721536335 /nfs/dbraw/zinc/53/63/35/721536335.db2.gz OCKVSSSIUJDIAW-HIFRSBDPSA-N 1 0 412.843 3.343 20 0 HGADRO Nc1cc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164907713 721536703 /nfs/dbraw/zinc/53/67/03/721536703.db2.gz OCKVSSSIUJDIAW-DZGCQCFKSA-N 1 0 412.843 3.343 20 0 HGADRO CCOc1cc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC001164799057 721550587 /nfs/dbraw/zinc/55/05/87/721550587.db2.gz ALIUVTURERXYMV-LQWHRVPQSA-N 1 0 402.926 3.397 20 0 HGADRO Cc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc(-c2ccccn2)n1 ZINC001164906472 721552555 /nfs/dbraw/zinc/55/25/55/721552555.db2.gz JKGMXHZCICPKSG-ICSRJNTNSA-N 1 0 405.477 3.328 20 0 HGADRO Cc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(-c2ccccn2)n1 ZINC001164906474 721552925 /nfs/dbraw/zinc/55/29/25/721552925.db2.gz JKGMXHZCICPKSG-QUCCMNQESA-N 1 0 405.477 3.328 20 0 HGADRO CCOC(=O)c1c(C)cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1C ZINC001164805407 721562766 /nfs/dbraw/zinc/56/27/66/721562766.db2.gz NRVPBORBNQNGEZ-SXWKCWPCSA-N 1 0 424.545 3.138 20 0 HGADRO Cc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(-c2ccccn2)n1 ZINC001164809839 721576071 /nfs/dbraw/zinc/57/60/71/721576071.db2.gz XMGDGDJFAFACQW-GIWBLDEGSA-N 1 0 416.529 3.110 20 0 HGADRO Cc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(-c2ccco2)n1 ZINC001164810807 721583038 /nfs/dbraw/zinc/58/30/38/721583038.db2.gz WFPJQSUCLXTHOI-IPJJNNNSSA-N 1 0 405.502 3.308 20 0 HGADRO COC(=O)c1cccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906188 721584796 /nfs/dbraw/zinc/58/47/96/721584796.db2.gz LXSYBBQAXTUTBT-HXUWFJFHSA-N 1 0 402.445 3.001 20 0 HGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C3CC3)nc3[nH]ccc32)[C@H]2CCCO[C@H]12 ZINC001164805663 721588739 /nfs/dbraw/zinc/58/87/39/721588739.db2.gz LKDPEGSNEXMNGU-ZCNNSNEGSA-N 1 0 404.518 3.099 20 0 HGADRO COc1cc(C)c2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2c1 ZINC001164804099 721592149 /nfs/dbraw/zinc/59/21/49/721592149.db2.gz INMVVMJMZHGDBI-FUPPJEDESA-N 1 0 419.529 3.210 20 0 HGADRO CCOC(=O)c1cnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1C ZINC001165025471 721810272 /nfs/dbraw/zinc/81/02/72/721810272.db2.gz MWVDNYQTEMUXPH-IOMROCGXSA-N 1 0 409.534 3.094 20 0 HGADRO C[C@@H]1CC(=O)Nc2ncnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c21 ZINC001165026519 721813551 /nfs/dbraw/zinc/81/35/51/721813551.db2.gz QYQFXNDNSOYREK-KCITZHQASA-N 1 0 406.534 3.054 20 0 HGADRO CC(C)c1nc(N(C)C)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165024246 721816808 /nfs/dbraw/zinc/81/68/08/721816808.db2.gz KBUGMTBEPCBOIT-DFQSSKMNSA-N 1 0 409.582 3.193 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc4c3CNC4=O)C[C@H]21 ZINC001165028988 721817209 /nfs/dbraw/zinc/81/72/09/721817209.db2.gz YLDNPMWITLWBQA-GDIGMMSISA-N 1 0 411.937 3.110 20 0 HGADRO Cc1cn(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)cn1 ZINC001165027136 721818301 /nfs/dbraw/zinc/81/83/01/721818301.db2.gz SKJOLPHPLDKSLP-CEWLAPEOSA-N 1 0 403.534 3.103 20 0 HGADRO COC(=O)c1ccnc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c1C ZINC001165023491 721839543 /nfs/dbraw/zinc/83/95/43/721839543.db2.gz ZRBRRPGGTKVQEB-UHFFFAOYSA-N 1 0 413.518 3.295 20 0 HGADRO COC(=O)c1cnc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c(C)c1 ZINC001165021338 721839897 /nfs/dbraw/zinc/83/98/97/721839897.db2.gz LQMKZBZOOFZCSD-UHFFFAOYSA-N 1 0 413.518 3.295 20 0 HGADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(-c2ccccc2)nc(-c2ccccc2)n1 ZINC001164924075 721861291 /nfs/dbraw/zinc/86/12/91/721861291.db2.gz BSHYMQJXEVDRHB-FGZHOGPDSA-N 1 0 414.557 3.420 20 0 HGADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2[C@@H](F)Oc1cccc(-c2ccc(Cl)nn2)c1 ZINC001164935077 721883847 /nfs/dbraw/zinc/88/38/47/721883847.db2.gz VQOUEYJSAKYDIN-QKNQBKEWSA-N 1 0 419.932 3.139 20 0 HGADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1cc(-c2nc(-c3cccs3)no2)ccn1 ZINC001164934190 721884877 /nfs/dbraw/zinc/88/48/77/721884877.db2.gz QEOMQLWDJQDCBK-IAGOWNOFSA-N 1 0 410.547 3.075 20 0 HGADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1cnc(Cl)nc1Oc1cccc(F)c1 ZINC001164931850 721888233 /nfs/dbraw/zinc/88/82/33/721888233.db2.gz GGYIWJVSYKWUKJ-SJORKVTESA-N 1 0 405.905 3.276 20 0 HGADRO COc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001164934413 721889244 /nfs/dbraw/zinc/88/92/44/721889244.db2.gz RLNUGAATSIFHJM-CVEARBPZSA-N 1 0 417.941 3.146 20 0 HGADRO Cc1nc2ccc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)nc2n1C ZINC001164940493 721925883 /nfs/dbraw/zinc/92/58/83/721925883.db2.gz RSUBJORVNMBIQE-UHFFFAOYSA-N 1 0 405.546 3.457 20 0 HGADRO CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]12 ZINC001164942926 721967362 /nfs/dbraw/zinc/96/73/62/721967362.db2.gz DNBFGGPGASOILN-ZCYQVOJMSA-N 1 0 404.558 3.446 20 0 HGADRO CCOC(=O)c1cnc(N2CCCC[C@@H]2CC[NH+]2CCCC2)cc1C(=O)OCC ZINC001165051164 721979086 /nfs/dbraw/zinc/97/90/86/721979086.db2.gz ZSIZLXIDNQVUOB-QGZVFWFLSA-N 1 0 403.523 3.280 20 0 HGADRO COC(=O)CSc1cccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955231 722020583 /nfs/dbraw/zinc/02/05/83/722020583.db2.gz AZIOZPVOKDCZFU-UHFFFAOYSA-N 1 0 412.559 3.234 20 0 HGADRO Clc1cc(Cl)c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nn1 ZINC001164960525 722052649 /nfs/dbraw/zinc/05/26/49/722052649.db2.gz RHTAZFUSTZJXAV-UHFFFAOYSA-N 1 0 408.333 3.297 20 0 HGADRO Clc1cnc(Cl)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164960452 722052778 /nfs/dbraw/zinc/05/27/78/722052778.db2.gz NUCXVEJQPWRQSP-UHFFFAOYSA-N 1 0 408.333 3.297 20 0 HGADRO FC(F)(c1cnc(Cl)nc1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164958712 722053485 /nfs/dbraw/zinc/05/34/85/722053485.db2.gz FOYBEZBINSIDBF-UHFFFAOYSA-N 1 0 423.895 3.189 20 0 HGADRO Fc1cccc2ncnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c12 ZINC001164963838 722056545 /nfs/dbraw/zinc/05/65/45/722056545.db2.gz NIAFKNGPUQPOQF-UHFFFAOYSA-N 1 0 407.493 3.283 20 0 HGADRO Clc1nnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c2occc21 ZINC001164963316 722057664 /nfs/dbraw/zinc/05/76/64/722057664.db2.gz WPHRUCQKTFEHOP-UHFFFAOYSA-N 1 0 413.909 3.390 20 0 HGADRO CC(C)OC(=O)c1cccnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164966463 722061837 /nfs/dbraw/zinc/06/18/37/722061837.db2.gz UNJAJCUMLPSKNK-UHFFFAOYSA-N 1 0 424.545 3.161 20 0 HGADRO Cc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977251 722101626 /nfs/dbraw/zinc/10/16/26/722101626.db2.gz FKEPTOAWBBMNOF-SJORKVTESA-N 1 0 423.895 3.106 20 0 HGADRO Cc1nc(Cl)cc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164985294 722105557 /nfs/dbraw/zinc/10/55/57/722105557.db2.gz WGTJXLIJJFZDAL-DLBZAZTESA-N 1 0 423.895 3.106 20 0 HGADRO COc1ccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ccc2c1 ZINC001164971934 722109689 /nfs/dbraw/zinc/10/96/89/722109689.db2.gz DUHCXFKFPVORPT-NFBKMPQASA-N 1 0 404.514 3.366 20 0 HGADRO Clc1nc2ccccc2nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972576 722110853 /nfs/dbraw/zinc/11/08/53/722110853.db2.gz GBGDLZYDYDLCRI-XLIONFOSSA-N 1 0 409.921 3.406 20 0 HGADRO Clc1ncnc2scc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164974087 722110866 /nfs/dbraw/zinc/11/08/66/722110866.db2.gz ILJLCQFZKBKCNA-NVXWUHKLSA-N 1 0 415.950 3.467 20 0 HGADRO CCOc1cc(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164981523 722114523 /nfs/dbraw/zinc/11/45/23/722114523.db2.gz ULVPKFUMFIWVRM-HKUYNNGSSA-N 1 0 402.926 3.256 20 0 HGADRO CCc1c(Cl)nnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1CC ZINC001164980410 722119801 /nfs/dbraw/zinc/11/98/01/722119801.db2.gz RDBQBYGFHZKXFF-FXAWDEMLSA-N 1 0 415.969 3.377 20 0 HGADRO CCCN(CCC)c1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncn1 ZINC001164975196 722131301 /nfs/dbraw/zinc/13/13/01/722131301.db2.gz FNBQVZQZRGRNNN-VXKWHMMOSA-N 1 0 424.593 3.225 20 0 HGADRO CCCN(CCC)c1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncn1 ZINC001164975195 722131483 /nfs/dbraw/zinc/13/14/83/722131483.db2.gz FNBQVZQZRGRNNN-FGZHOGPDSA-N 1 0 424.593 3.225 20 0 HGADRO Fc1ccc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164976124 722145661 /nfs/dbraw/zinc/14/56/61/722145661.db2.gz HGYTXDWOHLMPFG-REWPJTCUSA-N 1 0 419.504 3.405 20 0 HGADRO COc1cccc2c1ccnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972815 722146441 /nfs/dbraw/zinc/14/64/41/722146441.db2.gz ARYLSBFNYSQPFK-CVDCTZTESA-N 1 0 404.514 3.366 20 0 HGADRO CCc1nc2sccc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164980957 722150452 /nfs/dbraw/zinc/15/04/52/722150452.db2.gz OFZWXTHKQZPEDM-MJGOQNOKSA-N 1 0 409.559 3.376 20 0 HGADRO Clc1nc2c(nc1N1CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C1)CCCC2 ZINC001164975280 722156754 /nfs/dbraw/zinc/15/67/54/722156754.db2.gz QUKISTNIOSXOIB-YLJYHZDGSA-N 1 0 413.953 3.131 20 0 HGADRO COC(OC)c1c(CO)ccnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164997253 722205634 /nfs/dbraw/zinc/20/56/34/722205634.db2.gz XQFQBZKFEBBYHV-QHCPKHFHSA-N 1 0 415.509 3.249 20 0 HGADRO COC(=O)c1cc2cnc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc2n1C ZINC001164997311 722207080 /nfs/dbraw/zinc/20/70/80/722207080.db2.gz ZBZWXFYZEIRPBM-HSZRJFAPSA-N 1 0 423.492 3.139 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3C[C@H](C(=O)NC(C)C)C[C@H]32)nc1 ZINC001164997856 722216751 /nfs/dbraw/zinc/21/67/51/722216751.db2.gz SMXIPZSKMWHYGF-XRXFAXGQSA-N 1 0 400.567 3.137 20 0 HGADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc(Br)cc2N2CCOCC2)cc1 ZINC000473996889 1126094723 /nfs/dbraw/zinc/09/47/23/1126094723.db2.gz RIVFUVMAJMVQAJ-HXUWFJFHSA-N 1 0 419.363 3.287 20 0 HGADRO Cc1cccc(C[C@H](CO)[NH2+]Cc2ccc(Br)cc2N2CCOCC2)c1 ZINC000473998914 1126094748 /nfs/dbraw/zinc/09/47/48/1126094748.db2.gz GDBOJPTYZQGPSV-HXUWFJFHSA-N 1 0 419.363 3.287 20 0 HGADRO OCC1([NH2+]Cc2cc3c(cc2Br)OCCCO3)Cc2ccccc2C1 ZINC000554351520 1126096962 /nfs/dbraw/zinc/09/69/62/1126096962.db2.gz JGLBLPNBXFTTIX-UHFFFAOYSA-N 1 0 404.304 3.230 20 0 HGADRO Cc1ccccc1-n1cc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)nn1 ZINC001179277264 1126151639 /nfs/dbraw/zinc/15/16/39/1126151639.db2.gz CRYYUPNDQULFSI-HXUWFJFHSA-N 1 0 415.335 3.422 20 0 HGADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cnc(-c3ccccc3F)s2)[C@@H](O)C1 ZINC001179402356 1126152315 /nfs/dbraw/zinc/15/23/15/1126152315.db2.gz SGXFILKTHZUUSJ-IRXDYDNUSA-N 1 0 407.511 3.409 20 0 HGADRO OC[C@]1([NH2+]Cc2nncn2-c2ccccc2)CCc2cc(Br)ccc2C1 ZINC001307927653 1126161987 /nfs/dbraw/zinc/16/19/87/1126161987.db2.gz FDWXXQCNLSTALS-FQEVSTJZSA-N 1 0 413.319 3.039 20 0 HGADRO COC(=O)c1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c(C)o1 ZINC001307929377 1126162085 /nfs/dbraw/zinc/16/20/85/1126162085.db2.gz UOKSORDWLMAVOH-IBGZPJMESA-N 1 0 408.292 3.147 20 0 HGADRO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC001308478747 1126166170 /nfs/dbraw/zinc/16/61/70/1126166170.db2.gz APCHJMBBMZMQDY-LJQANCHMSA-N 1 0 419.298 3.252 20 0 HGADRO COc1c(C)cnc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c1C ZINC001460425722 1126191383 /nfs/dbraw/zinc/19/13/83/1126191383.db2.gz YSQJGAQCLAIEED-FQEVSTJZSA-N 1 0 405.336 3.479 20 0 HGADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccc(I)cc1 ZINC001460693114 1126191721 /nfs/dbraw/zinc/19/17/21/1126191721.db2.gz CVTPKIRZSYJDMR-SFHVURJKSA-N 1 0 411.283 3.383 20 0 HGADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC001473751538 1126199089 /nfs/dbraw/zinc/19/90/89/1126199089.db2.gz PHWYXZPICFQZIM-NRFANRHFSA-N 1 0 400.910 3.227 20 0 HGADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cn(-c2ccc(F)cc2)nn1 ZINC001461672319 1126196007 /nfs/dbraw/zinc/19/60/07/1126196007.db2.gz OKVBDTGCDPJDRX-IBGZPJMESA-N 1 0 419.298 3.252 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccccc2I)cc1 ZINC001461733979 1126196744 /nfs/dbraw/zinc/19/67/44/1126196744.db2.gz BAXXLVRVFNRLLE-SFHVURJKSA-N 1 0 411.283 3.383 20 0 HGADRO FC(F)(c1nc2cc(Cl)c(Cl)cc2nc1Cl)N1CCOCC12C[NH2+]C2 ZINC001164407078 718860362 /nfs/dbraw/zinc/86/03/62/718860362.db2.gz WJNNCOJVCJYMKT-UHFFFAOYSA-N 1 0 409.651 3.314 20 0 HGADRO COc1cccc(-c2cc(C(F)(F)N3CCO[C@H]4C[NH2+]CC[C@@H]4C3)c(Cl)nn2)c1 ZINC001164410180 718865456 /nfs/dbraw/zinc/86/54/56/718865456.db2.gz YJAZOEBEGYAKSW-KDOFPFPSSA-N 1 0 424.879 3.165 20 0 HGADRO COc1ccc(-c2cc(C(F)(F)N3CCO[C@H]4C[NH2+]CC[C@H]4C3)c(Cl)nn2)cc1 ZINC001164407881 718865815 /nfs/dbraw/zinc/86/58/15/718865815.db2.gz KLDFTHFMQSTABO-KSSFIOAISA-N 1 0 424.879 3.165 20 0 HGADRO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCCCC12CC[NH2+]CC2 ZINC001164420183 718910001 /nfs/dbraw/zinc/91/00/01/718910001.db2.gz GZAXUTHTCGNTTF-UHFFFAOYSA-N 1 0 414.884 3.354 20 0 HGADRO O=C(Nc1cccnc1Cl)OCC(F)(F)N1C[C@@H]2[NH2+]Cc3ccccc3[C@@H]2C1 ZINC001164427120 718946413 /nfs/dbraw/zinc/94/64/13/718946413.db2.gz ATQCGLIVTQOXHP-HOCLYGCPSA-N 1 0 408.836 3.448 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccnc(Cc4ccccc4)n3)CC2)CC1 ZINC001164616390 719033505 /nfs/dbraw/zinc/03/35/05/719033505.db2.gz BCMKSXYXKDFGPT-UHFFFAOYSA-N 1 0 408.546 3.311 20 0 HGADRO CCOC(=O)Cc1nc(Cl)cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164626796 719073857 /nfs/dbraw/zinc/07/38/57/719073857.db2.gz PJHCZANCBITQRX-MSOLQXFVSA-N 1 0 414.937 3.336 20 0 HGADRO CCOC(=O)Cc1nc(Cl)cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164626802 719074050 /nfs/dbraw/zinc/07/40/50/719074050.db2.gz PJHCZANCBITQRX-ROUUACIJSA-N 1 0 414.937 3.336 20 0 HGADRO CCOC(=O)[C@@H]1CCc2nnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)cc2C1 ZINC001164629041 719112441 /nfs/dbraw/zinc/11/24/41/719112441.db2.gz QOBFQRVLXYLVEY-QTEQDKRBSA-N 1 0 420.557 3.245 20 0 HGADRO CCOC(=O)[C@@H]1CCc2nnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)cc2C1 ZINC001164629044 719113412 /nfs/dbraw/zinc/11/34/12/719113412.db2.gz QOBFQRVLXYLVEY-ZRCGQRJVSA-N 1 0 420.557 3.245 20 0 HGADRO Cc1sc2nc(CN3CCCC3)nc(N3C[C@@H](CF)[C@H](C4([NH3+])CC4)C3)c2c1C ZINC001164625822 719122258 /nfs/dbraw/zinc/12/22/58/719122258.db2.gz YZYVTIBUGVWPJQ-HZPDHXFCSA-N 1 0 403.571 3.417 20 0 HGADRO CSc1nc(Cl)cc(C(F)(F)n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164683934 719605164 /nfs/dbraw/zinc/60/51/64/719605164.db2.gz LPJJYVVVQGIWKI-UHFFFAOYSA-N 1 0 416.929 3.132 20 0 HGADRO COc1cccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680019 719660837 /nfs/dbraw/zinc/66/08/37/719660837.db2.gz CLHQGWQKADRLLD-IBGZPJMESA-N 1 0 422.573 3.184 20 0 HGADRO CCc1ccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nn1 ZINC001164682110 719673459 /nfs/dbraw/zinc/67/34/59/719673459.db2.gz PDHZJUVPBAQYQR-LJQANCHMSA-N 1 0 421.589 3.132 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1ccc(Cl)nc1Cl)CC2 ZINC001164686108 719700925 /nfs/dbraw/zinc/70/09/25/719700925.db2.gz XASJXDFRUNFXGU-UHFFFAOYSA-N 1 0 407.292 3.114 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)cc3cc(OC)ccc31)CC2 ZINC001164687242 719732884 /nfs/dbraw/zinc/73/28/84/719732884.db2.gz VHVNXVZAMGYJCI-UHFFFAOYSA-N 1 0 402.926 3.078 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cncc(Sc3cccc(C)c3)n1)CC2 ZINC001164685987 719734398 /nfs/dbraw/zinc/73/43/98/719734398.db2.gz OBGDWQFXBULYMB-UHFFFAOYSA-N 1 0 411.575 3.117 20 0 HGADRO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(C(=O)OC(C)C)nn2)CC3)cs1 ZINC001164691840 719805766 /nfs/dbraw/zinc/80/57/66/719805766.db2.gz KUCBSYNPOAQIBE-UHFFFAOYSA-N 1 0 415.563 3.442 20 0 HGADRO CCOC(=O)c1ccc(C)c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164700867 719886131 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COC(=O)c1nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1Cl ZINC001164906363 721531815 /nfs/dbraw/zinc/53/18/15/721531815.db2.gz KDDJYQZDBFGJLH-HOCLYGCPSA-N 1 0 405.857 3.003 20 0 HGADRO COC(=O)c1ccc(Cl)c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164911999 721538491 /nfs/dbraw/zinc/53/84/91/721538491.db2.gz YAHCNUJIPHWLSA-ZBFHGGJFSA-N 1 0 405.857 3.003 20 0 HGADRO Nc1cc(Cl)nc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164906391 721540120 /nfs/dbraw/zinc/54/01/20/721540120.db2.gz KJKXONDGZZDMOP-HOCLYGCPSA-N 1 0 412.843 3.343 20 0 HGADRO COC(OC)c1cc(C)cnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909727 721548004 /nfs/dbraw/zinc/54/80/04/721548004.db2.gz RRSGMUHIOBEANX-PKOBYXMFSA-N 1 0 401.482 3.162 20 0 HGADRO CCOc1cc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1 ZINC001164799060 721551116 /nfs/dbraw/zinc/55/11/16/721551116.db2.gz ALIUVTURERXYMV-LVCYWYKZSA-N 1 0 402.926 3.397 20 0 HGADRO Cc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(-c2ccncc2)n1 ZINC001164903175 721551521 /nfs/dbraw/zinc/55/15/21/721551521.db2.gz BHXZKYHBLIYUKN-CTNGQTDRSA-N 1 0 405.477 3.328 20 0 HGADRO Cc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc(-c2ccncc2)n1 ZINC001164903177 721552107 /nfs/dbraw/zinc/55/21/07/721552107.db2.gz BHXZKYHBLIYUKN-PZJWPPBQSA-N 1 0 405.477 3.328 20 0 HGADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4ncnc(-c5cccc(F)c5)n4)CC[N@@H+]3C2)c1 ZINC001164903523 721557388 /nfs/dbraw/zinc/55/73/88/721557388.db2.gz BZMQVKNGENSJJA-ICSRJNTNSA-N 1 0 409.440 3.159 20 0 HGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(Cc3ccccc3)n2)[C@H]2CCCO[C@H]12 ZINC001164799268 721583797 /nfs/dbraw/zinc/58/37/97/721583797.db2.gz AFYPBURHOFHZEQ-FBLLAGFSSA-N 1 0 415.541 3.331 20 0 HGADRO CN(C)c1nc(Cl)cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905776 721583961 /nfs/dbraw/zinc/58/39/61/721583961.db2.gz WYWIVUKLVMITLB-LJQANCHMSA-N 1 0 422.911 3.329 20 0 HGADRO COc1cc(OC)nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164904381 721704330 /nfs/dbraw/zinc/70/43/30/721704330.db2.gz CYQJCZCDGDYFAY-HXUWFJFHSA-N 1 0 404.461 3.232 20 0 HGADRO FC1(F)CCN(c2cc(OCC3CC3)ncn2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904826 721711603 /nfs/dbraw/zinc/71/16/03/721711603.db2.gz DGJZLAUGXCGDBT-OAQYLSRUSA-N 1 0 415.488 3.398 20 0 HGADRO CCN(CC)c1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncn1 ZINC001164906796 721715916 /nfs/dbraw/zinc/71/59/16/721715916.db2.gz OJICIGFZRDLAAH-OAQYLSRUSA-N 1 0 416.520 3.456 20 0 HGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc3cc(F)c(F)cc3nc2Cl)CC1 ZINC001165011589 721735427 /nfs/dbraw/zinc/73/54/27/721735427.db2.gz RWLOAUGREVSMNM-UHFFFAOYSA-N 1 0 423.895 3.084 20 0 HGADRO Cc1cc(-c2ccccc2F)nnc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165012310 721748552 /nfs/dbraw/zinc/74/85/52/721748552.db2.gz FYRARBAHKSOEMA-UHFFFAOYSA-N 1 0 411.525 3.114 20 0 HGADRO CN(Cc1ccco1)Cc1cncc2c1CCN(c1cccc(N3CCOCC3)[nH+]1)C2 ZINC001164909559 721758669 /nfs/dbraw/zinc/75/86/69/721758669.db2.gz HXFKKYSWTVDJOG-UHFFFAOYSA-N 1 0 419.529 3.101 20 0 HGADRO c1ccc(C[N@@H+]2CCc3nc(N4C[C@H](OCC5CC5)[C@@H]5COC[C@H]54)ccc3C2)cc1 ZINC001165016474 721761589 /nfs/dbraw/zinc/76/15/89/721761589.db2.gz WVPQAZWBLZHWRH-JRFVFWCSSA-N 1 0 405.542 3.270 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(CN4CCOCC4)cn3)C[C@@H]21 ZINC001165017746 721802032 /nfs/dbraw/zinc/80/20/32/721802032.db2.gz AINWXMRYDYSLKV-YFNKSVMNSA-N 1 0 421.589 3.046 20 0 HGADRO COC(=O)c1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1OC ZINC001165022090 721803528 /nfs/dbraw/zinc/80/35/28/721803528.db2.gz HUYOPGBURRFSKU-VDGAXYAQSA-N 1 0 410.518 3.009 20 0 HGADRO Cc1nc2nc(Cl)nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2[nH]1 ZINC001165021339 721807865 /nfs/dbraw/zinc/80/78/65/721807865.db2.gz GKOVXZRBGDLQJO-UAGQMJEPSA-N 1 0 411.941 3.447 20 0 HGADRO CCOc1ccc(C(=O)OC)c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165026423 721815798 /nfs/dbraw/zinc/81/57/98/721815798.db2.gz PZSITEOITBUDHG-YYWHXJBOSA-N 1 0 424.545 3.399 20 0 HGADRO CC(C)c1nc(N(C)C)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165024248 721816707 /nfs/dbraw/zinc/81/67/07/721816707.db2.gz KBUGMTBEPCBOIT-IHPCNDPISA-N 1 0 409.582 3.193 20 0 HGADRO Cc1cn(-c2ccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nn2)cn1 ZINC001165027137 721818594 /nfs/dbraw/zinc/81/85/94/721818594.db2.gz SKJOLPHPLDKSLP-JBACZVJFSA-N 1 0 403.534 3.103 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3ncn4C3CC3)C[C@@H]21 ZINC001165024435 721825103 /nfs/dbraw/zinc/82/51/03/721825103.db2.gz JVRSQVFZMPNRPB-FFZOFVMBSA-N 1 0 403.534 3.293 20 0 HGADRO CCOC(=O)c1ccc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nc1 ZINC001165019339 721837838 /nfs/dbraw/zinc/83/78/38/721837838.db2.gz DRKPPKPROKBMTA-UHFFFAOYSA-N 1 0 413.518 3.376 20 0 HGADRO COCOc1ccc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nc1 ZINC001165021222 721841286 /nfs/dbraw/zinc/84/12/86/721841286.db2.gz IIOCQPBIFKLHCG-UHFFFAOYSA-N 1 0 401.507 3.182 20 0 HGADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ccc(-c2ccc(C3OCCCO3)cc2)cn1 ZINC001164923632 721874310 /nfs/dbraw/zinc/87/43/10/721874310.db2.gz JEVAMZGMYJGOPJ-GOTSBHOMSA-N 1 0 422.573 3.399 20 0 HGADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1cnc(Cl)nc1Oc1cccc(F)c1 ZINC001164931847 721888269 /nfs/dbraw/zinc/88/82/69/721888269.db2.gz GGYIWJVSYKWUKJ-IRXDYDNUSA-N 1 0 405.905 3.276 20 0 HGADRO Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164934091 721888283 /nfs/dbraw/zinc/88/82/83/721888283.db2.gz PMFMTMDNKIYGFN-DLBZAZTESA-N 1 0 401.942 3.445 20 0 HGADRO C[NH+](C)Cc1ccnc(N2CC[C@]3(C2)COCc2cnc(-c4ccccc4)nc23)c1 ZINC001164927669 721899154 /nfs/dbraw/zinc/89/91/54/721899154.db2.gz KHFXTRRTJARHMP-DEOSSOPVSA-N 1 0 401.514 3.279 20 0 HGADRO COC(=O)c1ccc(C)nc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164938134 721921752 /nfs/dbraw/zinc/92/17/52/721921752.db2.gz IKYFHTXUDNRFJC-UHFFFAOYSA-N 1 0 409.530 3.356 20 0 HGADRO c1cc(N2CCCCC2)ccc1-c1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)nn1 ZINC001165045013 721922926 /nfs/dbraw/zinc/92/29/26/721922926.db2.gz YFVKQBJUGLLCDC-QFIPXVFZSA-N 1 0 407.562 3.435 20 0 HGADRO CCOC(=O)c1cccc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164939809 721924255 /nfs/dbraw/zinc/92/42/55/721924255.db2.gz NMPFFJQJGHALQU-UHFFFAOYSA-N 1 0 409.530 3.438 20 0 HGADRO CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3ncccc3C[NH+]3CCCC3)C[C@@H]12 ZINC001164943753 721967925 /nfs/dbraw/zinc/96/79/25/721967925.db2.gz GFRCETMAQLSHSN-NOZRDPDXSA-N 1 0 404.558 3.446 20 0 HGADRO Clc1nc(N2CCOCC2)nc(Cl)c1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165050184 721971795 /nfs/dbraw/zinc/97/17/95/721971795.db2.gz VLIDJDVVZQDLPF-OAHLLOKOSA-N 1 0 414.381 3.465 20 0 HGADRO Clc1nc(N2CCOCC2)nc(Cl)c1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165050182 721971919 /nfs/dbraw/zinc/97/19/19/721971919.db2.gz VLIDJDVVZQDLPF-HNNXBMFYSA-N 1 0 414.381 3.465 20 0 HGADRO COC(=O)c1cc2c(nc(Cl)nc2N2CCCC[C@@H]2CC[NH+]2CCCC2)n1C ZINC001165048789 721974914 /nfs/dbraw/zinc/97/49/14/721974914.db2.gz LETRBHCGSIRDMM-CQSZACIVSA-N 1 0 405.930 3.253 20 0 HGADRO Fc1ccc2c(c1)ncnc2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164958093 722053046 /nfs/dbraw/zinc/05/30/46/722053046.db2.gz CAYMRBZMKBZPJB-UHFFFAOYSA-N 1 0 407.493 3.283 20 0 HGADRO CC(C)COc1nccnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164960027 722061351 /nfs/dbraw/zinc/06/13/51/722061351.db2.gz DEMAONBAFWZHDE-UHFFFAOYSA-N 1 0 411.550 3.025 20 0 HGADRO C[C@H]1CCCCN1c1nc2ccccc2nc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967754 722075138 /nfs/dbraw/zinc/07/51/38/722075138.db2.gz UZQWCMBUHNWDOE-YSIASYRMSA-N 1 0 407.562 3.308 20 0 HGADRO COc1ccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)cc1 ZINC001164967340 722077937 /nfs/dbraw/zinc/07/79/37/722077937.db2.gz BCSWQQFNVGCRRQ-HDICACEKSA-N 1 0 416.909 3.230 20 0 HGADRO Cc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164977249 722101745 /nfs/dbraw/zinc/10/17/45/722101745.db2.gz FKEPTOAWBBMNOF-IAGOWNOFSA-N 1 0 423.895 3.106 20 0 HGADRO FC(F)(Oc1cccc(Cl)n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982077 722108727 /nfs/dbraw/zinc/10/87/27/722108727.db2.gz VVPZVEQZUOYGIM-SJORKVTESA-N 1 0 424.879 3.282 20 0 HGADRO Cc1cc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(Cl)n1 ZINC001164974954 722109683 /nfs/dbraw/zinc/10/96/83/722109683.db2.gz JEDBUHGQVQZAGQ-DLBZAZTESA-N 1 0 423.895 3.106 20 0 HGADRO CCc1cc2c(ncnc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)s1 ZINC001164977400 722115294 /nfs/dbraw/zinc/11/52/94/722115294.db2.gz NASISJQHKTZNKT-PXNSSMCTSA-N 1 0 409.559 3.376 20 0 HGADRO CC(C)(C)OC(=O)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164980511 722117787 /nfs/dbraw/zinc/11/77/87/722117787.db2.gz RNENCRWYTDYVPZ-SFTDATJTSA-N 1 0 424.545 3.159 20 0 HGADRO c1ccc(-c2cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncn2)cc1 ZINC001164975159 722138140 /nfs/dbraw/zinc/13/81/40/722138140.db2.gz DXOMFUUHWKYPQT-GGAORHGYSA-N 1 0 401.514 3.266 20 0 HGADRO Cc1cc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)nn1 ZINC001164979696 722142864 /nfs/dbraw/zinc/14/28/64/722142864.db2.gz LTJUJBGYAWGQLX-AEFFLSMTSA-N 1 0 423.895 3.106 20 0 HGADRO COc1cccc2c1ccnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972819 722146778 /nfs/dbraw/zinc/14/67/78/722146778.db2.gz ARYLSBFNYSQPFK-XXBNENTESA-N 1 0 404.514 3.366 20 0 HGADRO Cc1ccc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)o1 ZINC001164974399 722147773 /nfs/dbraw/zinc/14/77/73/722147773.db2.gz DRMFDXAFNSDCAI-DENIHFKCSA-N 1 0 405.502 3.167 20 0 HGADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ccc(COC5CCC5)cn4)CC[C@H]3C2)c1 ZINC001164975269 722151588 /nfs/dbraw/zinc/15/15/88/722151588.db2.gz QRLIEBRMWFLKFT-JTHBVZDNSA-N 1 0 408.546 3.273 20 0 HGADRO COC(=O)c1cnc(Cl)nc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995126 722192479 /nfs/dbraw/zinc/19/24/79/722192479.db2.gz RVMJWIYVVNXCAX-HXUWFJFHSA-N 1 0 404.873 3.301 20 0 HGADRO COC(=O)c1cc2cnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc2n1C ZINC001164997312 722206985 /nfs/dbraw/zinc/20/69/85/722206985.db2.gz ZBZWXFYZEIRPBM-QHCPKHFHSA-N 1 0 423.492 3.139 20 0 HGADRO COC(=O)c1nc(Cl)cc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164996551 722210778 /nfs/dbraw/zinc/21/07/78/722210778.db2.gz NVVWLYBSICRXFX-HXUWFJFHSA-N 1 0 404.873 3.301 20 0 HGADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1nc(Cl)ccc1F)CCC2 ZINC001164999616 722253313 /nfs/dbraw/zinc/25/33/13/722253313.db2.gz FHAHDNSAGOMBGV-UHFFFAOYSA-N 1 0 417.863 3.104 20 0 HGADRO Cc1ccc(Cl)nc1C(F)(F)N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165001962 722254880 /nfs/dbraw/zinc/25/48/80/722254880.db2.gz KCVYJOACQSCTFE-UHFFFAOYSA-N 1 0 413.900 3.273 20 0 HGADRO Cc1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc(-c2ccsc2)n1 ZINC001165004093 722257219 /nfs/dbraw/zinc/25/72/19/722257219.db2.gz MWEMCHYYGUHGPC-UHFFFAOYSA-N 1 0 412.563 3.199 20 0 HGADRO Cc1cccc(C[C@H](CO)[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)c1 ZINC000466898661 1126093752 /nfs/dbraw/zinc/09/37/52/1126093752.db2.gz ZWQAGZLTUPWJCA-OAQYLSRUSA-N 1 0 407.514 3.250 20 0 HGADRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000466906325 1126093841 /nfs/dbraw/zinc/09/38/41/1126093841.db2.gz KVVJAFBLMHNIFT-NRFANRHFSA-N 1 0 407.514 3.250 20 0 HGADRO OC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000500245788 1126095243 /nfs/dbraw/zinc/09/52/43/1126095243.db2.gz OJYRBLNYBXDPBA-SFHVURJKSA-N 1 0 404.283 3.467 20 0 HGADRO CCOc1c(Br)cc(C[NH2+]C2(CO)Cc3ccccc3C2)cc1OC ZINC000553790430 1126097081 /nfs/dbraw/zinc/09/70/81/1126097081.db2.gz WAYNWXZZOZTNIC-UHFFFAOYSA-N 1 0 406.320 3.476 20 0 HGADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001178493230 1126150870 /nfs/dbraw/zinc/15/08/70/1126150870.db2.gz UKSKBPFBNQPAEL-KRWDZBQOSA-N 1 0 417.575 3.438 20 0 HGADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001178493231 1126150945 /nfs/dbraw/zinc/15/09/45/1126150945.db2.gz UKSKBPFBNQPAEL-QGZVFWFLSA-N 1 0 417.575 3.438 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nnn(-c3ccccc3)c2C2CC2)cc1OC ZINC001183683346 1126153256 /nfs/dbraw/zinc/15/32/56/1126153256.db2.gz BUIBWIHOXLRRGG-XMMPIXPASA-N 1 0 422.529 3.245 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc3c(cc2Br)OCO3)cc1 ZINC001198220039 1126155231 /nfs/dbraw/zinc/15/52/31/1126155231.db2.gz WDXWXYKMAYBGGA-IBGZPJMESA-N 1 0 408.292 3.270 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(C)c(Br)cn2)cc1OC ZINC001203581584 1126159063 /nfs/dbraw/zinc/15/90/63/1126159063.db2.gz PSHCJXLSMDUMOR-IBGZPJMESA-N 1 0 409.324 3.253 20 0 HGADRO COC(=O)c1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cc1 ZINC001206661498 1126159638 /nfs/dbraw/zinc/15/96/38/1126159638.db2.gz YNRINMKJJXPTPJ-HXUWFJFHSA-N 1 0 404.304 3.245 20 0 HGADRO CCc1nn(C)c(CC)c1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC001206660710 1126159670 /nfs/dbraw/zinc/15/96/70/1126159670.db2.gz GQZHMQXLXPEBHF-FQEVSTJZSA-N 1 0 406.368 3.317 20 0 HGADRO Cc1cccc2nc(C[NH2+][C@]3(CO)CCc4cc(Br)ccc4C3)cn21 ZINC001307928327 1126162008 /nfs/dbraw/zinc/16/20/08/1126162008.db2.gz KZNPKGXNZNYRNE-HXUWFJFHSA-N 1 0 400.320 3.415 20 0 HGADRO COC(=O)c1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c(C)o1 ZINC001307929378 1126162092 /nfs/dbraw/zinc/16/20/92/1126162092.db2.gz UOKSORDWLMAVOH-LJQANCHMSA-N 1 0 408.292 3.147 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2c(Cl)n(C)nc2C(F)(F)F)cc1OC ZINC001308116836 1126163400 /nfs/dbraw/zinc/16/34/00/1126163400.db2.gz FAXWYVFBSZKXCS-QGZVFWFLSA-N 1 0 421.847 3.193 20 0 HGADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H](CO)Cc1ccc(O)cc1 ZINC001462084783 1126197184 /nfs/dbraw/zinc/19/71/84/1126197184.db2.gz HELQVFIIQGQLPK-QGZVFWFLSA-N 1 0 416.319 3.342 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc3c(c2)OCCCCO3)cc1OC ZINC001474258527 1126204065 /nfs/dbraw/zinc/20/40/65/1126204065.db2.gz YFOOCRGPFRTPKL-QHCPKHFHSA-N 1 0 401.503 3.339 20 0 HGADRO COc1ccc(-c2noc(CCC(=O)NCCC[N@@H+]3CCc4ccccc4C3)n2)cc1 ZINC000004933289 559210937 /nfs/dbraw/zinc/21/09/37/559210937.db2.gz DVBJIPXNBFTKDM-UHFFFAOYSA-N 1 0 420.513 3.242 20 0 HGADRO COCCn1cc([C@H]2[C@H](C[NH2+]Cc3cc(C)ccc3F)CC(=O)N2C(C)(C)C)cn1 ZINC000328602516 569416624 /nfs/dbraw/zinc/41/66/24/569416624.db2.gz BWUSLGITZLVKNH-PGRDOPGGSA-N 1 0 416.541 3.455 20 0 HGADRO CN1C(=O)C[C@@H](C[NH2+][C@@H](C(N)=O)c2ccccc2)[C@@H]1c1cnn(Cc2ccccc2)c1 ZINC000328608422 569419429 /nfs/dbraw/zinc/41/94/29/569419429.db2.gz YYMXNLOPWBDAGK-WWPVKYPJSA-N 1 0 417.513 3.317 20 0 HGADRO CN1C(=O)C[C@@H](C[NH2+][C@H](C(N)=O)c2ccccc2)[C@@H]1c1cnn(Cc2ccccc2)c1 ZINC000328608418 569419455 /nfs/dbraw/zinc/41/94/55/569419455.db2.gz YYMXNLOPWBDAGK-AJSBUHFISA-N 1 0 417.513 3.317 20 0 HGADRO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CCO[C@@H]2C[NH2+]CC[C@H]2C1 ZINC001164410273 718864580 /nfs/dbraw/zinc/86/45/80/718864580.db2.gz YPURFFOCHUDNTP-SMDDNHRTSA-N 1 0 400.882 3.218 20 0 HGADRO Cc1ccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@H]4C3)c(Cl)nn2)cc1 ZINC001164408326 718865462 /nfs/dbraw/zinc/86/54/62/718865462.db2.gz LNUMWKWMWCIDFE-MAUKXSAKSA-N 1 0 408.880 3.465 20 0 HGADRO FC(F)(c1cccc2ccnc(Cl)c21)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164415341 718885176 /nfs/dbraw/zinc/88/51/76/718885176.db2.gz GFRFZUAQTOISAE-UHFFFAOYSA-N 1 0 404.852 3.124 20 0 HGADRO [NH3+][C@@]12C[C@@H]1CCN(c1nc(CN3CCOCC3)nc3scc(-c4ccccc4)c31)C2 ZINC001164420695 718896344 /nfs/dbraw/zinc/89/63/44/718896344.db2.gz NEVSTTQRMIIECP-GAJHUEQPSA-N 1 0 421.570 3.118 20 0 HGADRO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001164430423 718947284 /nfs/dbraw/zinc/94/72/84/718947284.db2.gz UUCJQVDUKNOXNC-JKSUJKDBSA-N 1 0 408.836 3.448 20 0 HGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc(Cl)nc1)C2 ZINC001164619364 719006617 /nfs/dbraw/zinc/00/66/17/719006617.db2.gz VVZISFSXBPZVGZ-KXBFYZLASA-N 1 0 413.896 3.429 20 0 HGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(-c2ccccc2)nnc1Cl ZINC001164616513 719017809 /nfs/dbraw/zinc/01/78/09/719017809.db2.gz KWNJSIDAHLAONH-XOKHGSTOSA-N 1 0 422.863 3.072 20 0 HGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)c(-c2cccnc2)c1 ZINC001164617208 719018173 /nfs/dbraw/zinc/01/81/73/719018173.db2.gz NAQUXSIDZBOMPA-RRQGHBQHSA-N 1 0 422.863 3.072 20 0 HGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)c(-c2ccncc2)c1 ZINC001164618699 719018881 /nfs/dbraw/zinc/01/88/81/719018881.db2.gz SHDNWTZTWNLURY-XOKHGSTOSA-N 1 0 422.863 3.072 20 0 HGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(Cl)nc2c1CCCCC2 ZINC001164617404 719020587 /nfs/dbraw/zinc/02/05/87/719020587.db2.gz NXKUYUORGZNKKU-DQYPLSBCSA-N 1 0 413.896 3.279 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(-c4ccccc4OC)nn3)CC2)CC1 ZINC001164618123 719032136 /nfs/dbraw/zinc/03/21/36/719032136.db2.gz SMOXMXIWJKYJPQ-UHFFFAOYSA-N 1 0 424.545 3.396 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(SC)nc(SC)n3)CC2)CC1 ZINC001164617607 719035274 /nfs/dbraw/zinc/03/52/74/719035274.db2.gz NANYIERFOGNYJO-UHFFFAOYSA-N 1 0 410.609 3.164 20 0 HGADRO Clc1ncc(N2CCOCC2)c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164624965 719079611 /nfs/dbraw/zinc/07/96/11/719079611.db2.gz MHQMUFYRGKQFFI-QUCCMNQESA-N 1 0 413.953 3.067 20 0 HGADRO Cc1sc2nc(CN3CCCC3)nc(N3C[C@H](CF)[C@H](C4([NH3+])CC4)C3)c2c1C ZINC001164625826 719122453 /nfs/dbraw/zinc/12/24/53/719122453.db2.gz YZYVTIBUGVWPJQ-JKSUJKDBSA-N 1 0 403.571 3.417 20 0 HGADRO COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)c1cc(-c2ccc(C(C)C)cc2)nnc1Cl ZINC001164630281 719138381 /nfs/dbraw/zinc/13/83/81/719138381.db2.gz IIWWDFMGFUUKHG-QGZVFWFLSA-N 1 0 424.879 3.417 20 0 HGADRO CC(C)N(C)Cc1nn(-c2nc(C(F)F)nc3ccc(F)cc32)c2c1CC[NH2+]C2 ZINC001164679472 719647946 /nfs/dbraw/zinc/64/79/46/719647946.db2.gz BSQSSOUJLDWDEZ-UHFFFAOYSA-N 1 0 404.440 3.378 20 0 HGADRO CCc1ccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nn1 ZINC001164682107 719673684 /nfs/dbraw/zinc/67/36/84/719673684.db2.gz PDHZJUVPBAQYQR-IBGZPJMESA-N 1 0 421.589 3.132 20 0 HGADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(C(=O)NC4CC4)cn2)CC3)cs1 ZINC001164693038 719809640 /nfs/dbraw/zinc/80/96/40/719809640.db2.gz PDIZMEFOYFWNJS-UHFFFAOYSA-N 1 0 411.575 3.374 20 0 HGADRO COC[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)Cc2cn(C)nc21 ZINC001164696315 719833599 /nfs/dbraw/zinc/83/35/99/719833599.db2.gz SFYLXKVTZRKJAS-HNNXBMFYSA-N 1 0 423.895 3.140 20 0 HGADRO CCN(CC)c1cncc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164699155 719895219 /nfs/dbraw/zinc/89/52/19/719895219.db2.gz XUKZRJISCHAHGG-UHFFFAOYSA-N 1 0 401.580 3.256 20 0 HGADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)c1 ZINC001164815745 720068128 /nfs/dbraw/zinc/06/81/28/720068128.db2.gz ZJNIZJNLZDQCRP-LAUBAEHRSA-N 1 0 407.942 3.096 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)nc(SC)n1)CC2 ZINC001164710070 720093843 /nfs/dbraw/zinc/09/38/43/720093843.db2.gz GQBDHJGEUBMKKV-IBGZPJMESA-N 1 0 413.591 3.409 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(C)nc(Cl)n1)C2 ZINC001164812353 720098690 /nfs/dbraw/zinc/09/86/90/720098690.db2.gz QTKNGDNURCGOKO-QAPCUYQASA-N 1 0 400.901 3.168 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(Cl)c(C)n1)CC2 ZINC001164710026 720104150 /nfs/dbraw/zinc/10/41/50/720104150.db2.gz FRWGWFCDIIWGDB-SFHVURJKSA-N 1 0 401.942 3.341 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3cc(C(=O)OC)ccc3n1)C2 ZINC001164813283 720106436 /nfs/dbraw/zinc/10/64/36/720106436.db2.gz QAIKOXWVALCBNM-RDPSFJRHSA-N 1 0 409.530 3.206 20 0 HGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C(=O)OC)cc1C)CC2 ZINC001164718057 720107395 /nfs/dbraw/zinc/10/73/95/720107395.db2.gz RDBYMYYORRGGPE-OAQYLSRUSA-N 1 0 424.545 3.079 20 0 HGADRO CCOC(=O)c1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)c(Cl)c1 ZINC001164808511 720121645 /nfs/dbraw/zinc/12/16/45/720121645.db2.gz FKFOJGMULNEVJF-UTKZUKDTSA-N 1 0 407.942 3.096 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(-c3ncc[nH]3)ccn1)CC2 ZINC001164713861 720132027 /nfs/dbraw/zinc/13/20/27/720132027.db2.gz TWCJEYUTDNQUDZ-NRFANRHFSA-N 1 0 418.545 3.374 20 0 HGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(-c3nnco3)ccn1)CC2 ZINC001164714015 720147726 /nfs/dbraw/zinc/14/77/26/720147726.db2.gz VGHBIRTZWZCQRJ-HXUWFJFHSA-N 1 0 420.517 3.034 20 0 HGADRO CCOC(=O)c1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)ccc1Cl ZINC001164815076 720150331 /nfs/dbraw/zinc/15/03/31/720150331.db2.gz HWCQOWSZGLJGGP-KKSFZXQISA-N 1 0 407.942 3.096 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(-c3nc(C4CC4)no3)ccn1)C2 ZINC001164817551 720190539 /nfs/dbraw/zinc/19/05/39/720190539.db2.gz PUXZSBWBHZITLM-XXBNENTESA-N 1 0 409.534 3.194 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1ncn3-c1ccccc1)C2 ZINC001164819739 720190763 /nfs/dbraw/zinc/19/07/63/720190763.db2.gz XYIWFTNVHZWBST-YADARESESA-N 1 0 418.545 3.000 20 0 HGADRO Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(C[NH+]3CCCC3)cn2)cs1 ZINC001164816280 720258160 /nfs/dbraw/zinc/25/81/60/720258160.db2.gz HIPKJRDRIYLJBM-VQTJNVASSA-N 1 0 411.575 3.212 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nnc(Cl)c3ccccc32)CC1 ZINC001164823134 720299613 /nfs/dbraw/zinc/29/96/13/720299613.db2.gz ORTLMFZYOSQQAW-RTBURBONSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(-c3ccccc3)nn2)CC1 ZINC001164823823 720302234 /nfs/dbraw/zinc/30/22/34/720302234.db2.gz PZTUEJFNVOYIRM-YADHBBJMSA-N 1 0 405.546 3.055 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)cc3[nH]ccc32)CC1 ZINC001164819641 720303784 /nfs/dbraw/zinc/30/37/84/720303784.db2.gz FKWOTGHEXTVZFF-QZTJIDSGSA-N 1 0 401.942 3.128 20 0 HGADRO CCc1cc2c(ncnc2N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)s1 ZINC001164823820 720316603 /nfs/dbraw/zinc/31/66/03/720316603.db2.gz BJJQNEKFZUULPQ-OALUTQOASA-N 1 0 413.591 3.165 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc3ccc(Cl)nc3cn2)CC1 ZINC001164832913 720321923 /nfs/dbraw/zinc/32/19/23/720321923.db2.gz UXMYUBXEJFIVFW-OALUTQOASA-N 1 0 413.953 3.195 20 0 HGADRO Cc1ccc(-c2ccc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)cc1 ZINC001164824282 720336112 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CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3OCCN(c4ccc(C)nn4)[C@H]3C2)nc1 ZINC001164777548 721313658 /nfs/dbraw/zinc/31/36/58/721313658.db2.gz SRGWVCGODSYLFG-BHIFYINESA-N 1 0 422.577 3.211 20 0 HGADRO COc1cnc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c(C)c1 ZINC001164779033 721348558 /nfs/dbraw/zinc/34/85/58/721348558.db2.gz PCELVPLBTSWXNG-QFIPXVFZSA-N 1 0 400.523 3.122 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cccnc4Cl)C3)O2)CC1 ZINC001164892141 721381677 /nfs/dbraw/zinc/38/16/77/721381677.db2.gz RVSDXRGNBHZTAN-LPHOPBHVSA-N 1 0 414.928 3.045 20 0 HGADRO COc1cccc2ccc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nc21 ZINC001164893618 721395750 /nfs/dbraw/zinc/39/57/50/721395750.db2.gz WEKQOOQWPCDCCW-RDPSFJRHSA-N 1 0 410.562 3.009 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nccc(Oc5ccccc5)n4)C3)O2)CC1 ZINC001164884309 721396671 /nfs/dbraw/zinc/39/66/71/721396671.db2.gz AAKPIFLSEWYCTQ-URXFXBBRSA-N 1 0 423.561 3.034 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncnc5cc(Cl)ccc54)C3)O2)CC1 ZINC001164887676 721401147 /nfs/dbraw/zinc/40/11/47/721401147.db2.gz MDPMKZSLFIDZKW-PGRDOPGGSA-N 1 0 415.969 3.049 20 0 HGADRO COC(=O)c1cc2c(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)[nH]c(Cl)cc-2n1 ZINC001164785518 721419381 /nfs/dbraw/zinc/41/93/81/721419381.db2.gz MZIJHWVWELGWPW-RYUDHWBXSA-N 1 0 417.922 3.028 20 0 HGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc5c(Cl)ccnc5cn4)C3)O2)CC1 ZINC001164893002 721421255 /nfs/dbraw/zinc/42/12/55/721421255.db2.gz ZUXCSUANCPIBOW-VGSWGCGISA-N 1 0 415.969 3.049 20 0 HGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc5nccc(Cl)c5n4)C3)O2)CC1 ZINC001164894926 721428999 /nfs/dbraw/zinc/42/89/99/721428999.db2.gz NKVOIRPTHUHLRH-VGOFRKELSA-N 1 0 415.969 3.049 20 0 HGADRO Cc1c(Cl)cnc(Cl)c1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892248 721429243 /nfs/dbraw/zinc/42/92/43/721429243.db2.gz HUDWMBZRMNMKFN-OXQOHEQNSA-N 1 0 413.393 3.462 20 0 HGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc5nccc(Cl)c5n4)C3)O2)CC1 ZINC001164894927 721429494 /nfs/dbraw/zinc/42/94/94/721429494.db2.gz NKVOIRPTHUHLRH-VGSWGCGISA-N 1 0 415.969 3.049 20 0 HGADRO Cc1c[nH]c2nc(Cl)cc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164896750 721431932 /nfs/dbraw/zinc/43/19/32/721431932.db2.gz RXABZOJGSYYLLE-JTSKRJEESA-N 1 0 417.985 3.290 20 0 HGADRO Cc1nc(C2CC2)nc(Cl)c1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164895374 721438331 /nfs/dbraw/zinc/43/83/31/721438331.db2.gz OCJCIDIORRNUHZ-PGRDOPGGSA-N 1 0 420.001 3.081 20 0 HGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cnc3ccccc3n1)CC2 ZINC001164787783 721451469 /nfs/dbraw/zinc/45/14/69/721451469.db2.gz QMHZCOQJUNNGEL-FQEVSTJZSA-N 1 0 410.562 3.364 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)nnc1C)CC2 ZINC001164790388 721454838 /nfs/dbraw/zinc/45/48/38/721454838.db2.gz YRUGDRBAJLBOEZ-GOSISDBHSA-N 1 0 408.974 3.172 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3c1CCCC3)CC2 ZINC001164782740 721457653 /nfs/dbraw/zinc/45/76/53/721457653.db2.gz BHUGEVIJPUEZJE-HXUWFJFHSA-N 1 0 414.594 3.089 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccnc(C3CC3)n1)CC2 ZINC001164784254 721462289 /nfs/dbraw/zinc/46/22/89/721462289.db2.gz HFTIFHRMPRHCIX-HXUWFJFHSA-N 1 0 400.567 3.088 20 0 HGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(C(C)C)n1)CC2 ZINC001164789360 721462950 /nfs/dbraw/zinc/46/29/50/721462950.db2.gz XJALUXFZWYJIOD-FQEVSTJZSA-N 1 0 402.583 3.334 20 0 HGADRO CCc1nc(C)cc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1 ZINC001164791332 721467473 /nfs/dbraw/zinc/46/74/73/721467473.db2.gz XDANIAGEGBEWDS-FQEVSTJZSA-N 1 0 402.583 3.081 20 0 HGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1c(Cl)nccc1OC)CC2 ZINC001164788028 721470173 /nfs/dbraw/zinc/47/01/73/721470173.db2.gz HPPUPGKBRKUNLZ-SFHVURJKSA-N 1 0 423.985 3.478 20 0 HGADRO COCCOC(=O)c1ccnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164797025 721502996 /nfs/dbraw/zinc/50/29/96/721502996.db2.gz XKBXMILCCLMYNR-UHFFFAOYSA-N 1 0 424.545 3.161 20 0 HGADRO COC(=O)c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1 ZINC001164900465 721508476 /nfs/dbraw/zinc/50/84/76/721508476.db2.gz RCQMGVOYLYJVAZ-WBVHZDCISA-N 1 0 405.857 3.003 20 0 HGADRO Cc1c(Cl)ccc2ccc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)nc21 ZINC001164797791 721517470 /nfs/dbraw/zinc/51/74/70/721517470.db2.gz NIMSEPAXIARKGC-UHFFFAOYSA-N 1 0 410.953 3.161 20 0 HGADRO CSc1nc2ncnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2s1 ZINC001164909327 721545053 /nfs/dbraw/zinc/54/50/53/721545053.db2.gz RLAYZLUSALVLOV-UKRRQHHQSA-N 1 0 417.535 3.289 20 0 HGADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)CC[N@@H+]3C2)c1 ZINC001164910449 721562927 /nfs/dbraw/zinc/56/29/27/721562927.db2.gz WZIMIDPETLMIQL-QUCCMNQESA-N 1 0 421.476 3.490 20 0 HGADRO COc1cc(C)c2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1 ZINC001164903498 721568576 /nfs/dbraw/zinc/56/85/76/721568576.db2.gz BODFJROYDKXBPS-PXNSSMCTSA-N 1 0 408.477 3.428 20 0 HGADRO CCOC(=O)c1cccnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906182 721584802 /nfs/dbraw/zinc/58/48/02/721584802.db2.gz LXROPWUNEIZORS-NRFANRHFSA-N 1 0 416.472 3.391 20 0 HGADRO COC(=O)c1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncc1F ZINC001164906655 721696676 /nfs/dbraw/zinc/69/66/76/721696676.db2.gz NZYWWCWKFFUHNS-HXUWFJFHSA-N 1 0 420.435 3.140 20 0 HGADRO CC(C)c1cc2c(ncnc2N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)s1 ZINC001165009247 721728877 /nfs/dbraw/zinc/72/88/77/721728877.db2.gz VSJCMTTWCQXOMQ-UHFFFAOYSA-N 1 0 401.580 3.338 20 0 HGADRO CC(C)c1cc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nc(C(C)(C)C)n1 ZINC001165013290 721747281 /nfs/dbraw/zinc/74/72/81/721747281.db2.gz XATGPNVEVXFZAU-UHFFFAOYSA-N 1 0 401.599 3.421 20 0 HGADRO CN(Cc1ccco1)Cc1cncc2c1CCN(c1cc(-n3ccnc3)cc[nH+]1)C2 ZINC001164909729 721763635 /nfs/dbraw/zinc/76/36/35/721763635.db2.gz FPCXXIGTJGJWOE-UHFFFAOYSA-N 1 0 400.486 3.450 20 0 HGADRO COC(=O)c1cc(F)c(C)nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165023585 721812257 /nfs/dbraw/zinc/81/22/57/721812257.db2.gz HYLJCIMQTFGXQR-NBHGPNQESA-N 1 0 412.509 3.448 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc4c3CNC4=O)C[C@@H]21 ZINC001165028990 721816981 /nfs/dbraw/zinc/81/69/81/721816981.db2.gz YLDNPMWITLWBQA-MDASCCDHSA-N 1 0 411.937 3.110 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C(=O)N4CCCC4)ccn3)C[C@@H]21 ZINC001165026128 721819133 /nfs/dbraw/zinc/81/91/33/721819133.db2.gz PHSGHJNCGZXCHK-AKIFATBCSA-N 1 0 419.573 3.450 20 0 HGADRO COc1cnc2c(c1)ncnc2N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025920 721820868 /nfs/dbraw/zinc/82/08/68/721820868.db2.gz OESPJYOWAFULLV-LRQRDZAKSA-N 1 0 404.518 3.165 20 0 HGADRO CC[C@H]1C(=O)N(C)c2cnc(N3CC[NH+](C4CCCC4)CC3)nc2N1C1CCCC1 ZINC001165027974 721856249 /nfs/dbraw/zinc/85/62/49/721856249.db2.gz FLHXAWMFOQTNMZ-IBGZPJMESA-N 1 0 412.582 3.045 20 0 HGADRO COC(=O)c1ccc(-c2ccc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4CCN(C)C)nc2C)cc1 ZINC001164922387 721876398 /nfs/dbraw/zinc/87/63/98/721876398.db2.gz GKFZZNBRNCROKP-YADHBBJMSA-N 1 0 408.546 3.058 20 0 HGADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1cnc(Cl)nc1Oc1ccc(F)cc1 ZINC001164935515 721880545 /nfs/dbraw/zinc/88/05/45/721880545.db2.gz XEZONICYRXHDGP-IRXDYDNUSA-N 1 0 405.905 3.276 20 0 HGADRO Cc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)cc1 ZINC001164933626 721888288 /nfs/dbraw/zinc/88/82/88/721888288.db2.gz NMCWHDFLNQKVGG-MSOLQXFVSA-N 1 0 401.942 3.445 20 0 HGADRO COC(=O)c1cnc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c(C)c1 ZINC001164940414 721923961 /nfs/dbraw/zinc/92/39/61/721923961.db2.gz PXYQSFIQXKQPHE-UHFFFAOYSA-N 1 0 409.530 3.356 20 0 HGADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncc(OC(F)F)cn4)CC3)C2)cc1 ZINC001164940217 721928070 /nfs/dbraw/zinc/92/80/70/721928070.db2.gz SLLKASKFJSYTCC-UHFFFAOYSA-N 1 0 404.461 3.258 20 0 HGADRO CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]12 ZINC001164942925 721967293 /nfs/dbraw/zinc/96/72/93/721967293.db2.gz DNBFGGPGASOILN-UKILVPOCSA-N 1 0 404.558 3.446 20 0 HGADRO CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3ccc(C[N@@H+](C)C4CC4)cn3)C[C@@H]12 ZINC001164947817 721967629 /nfs/dbraw/zinc/96/76/29/721967629.db2.gz RNIUQHIOUGNEQR-NOZRDPDXSA-N 1 0 404.558 3.445 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[C@@H](NC(=O)N(C)C)CCO3)nc1 ZINC001164954099 722010893 /nfs/dbraw/zinc/01/08/93/722010893.db2.gz IFKISUYRFHJCKC-MZKRTTBSSA-N 1 0 415.582 3.028 20 0 HGADRO Fc1ccc2nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)ncc2c1 ZINC001164962196 722058504 /nfs/dbraw/zinc/05/85/04/722058504.db2.gz POJJIHFGQGZBAV-UHFFFAOYSA-N 1 0 407.493 3.283 20 0 HGADRO c1cc(C[N@@H+]2CCOCC3(CCN(c4ccc(-c5ccncc5)nn4)CC3)C2)ccn1 ZINC001164963383 722060769 /nfs/dbraw/zinc/06/07/69/722060769.db2.gz XXJAJJXTGHIBDR-UHFFFAOYSA-N 1 0 416.529 3.053 20 0 HGADRO CCc1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164966342 722061576 /nfs/dbraw/zinc/06/15/76/722061576.db2.gz REGAXQYIULCXNE-UHFFFAOYSA-N 1 0 401.942 3.206 20 0 HGADRO Cc1cncc(COCc2cnc3n2CCN(c2cc(C[NH+](C)C)ccn2)[C@H]3C)c1 ZINC001164962802 722063533 /nfs/dbraw/zinc/06/35/33/722063533.db2.gz ADTFJVIMQBLQNP-SFHVURJKSA-N 1 0 406.534 3.341 20 0 HGADRO O=C(Nc1cccc(Cl)c1)c1ccc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)nc1 ZINC001164966571 722075863 /nfs/dbraw/zinc/07/58/63/722075863.db2.gz BRFRTPLJKBGQEI-BGYRXZFFSA-N 1 0 412.921 3.287 20 0 HGADRO Cc1nc2ccc(F)cc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984671 722107989 /nfs/dbraw/zinc/10/79/89/722107989.db2.gz TWXHELHCSBGPOQ-GCJKJVERSA-N 1 0 407.493 3.200 20 0 HGADRO FC(F)(Oc1cccc(Cl)n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982065 722108594 /nfs/dbraw/zinc/10/85/94/722108594.db2.gz VVPZVEQZUOYGIM-DLBZAZTESA-N 1 0 424.879 3.282 20 0 HGADRO Clc1cccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cnc12 ZINC001164982020 722110162 /nfs/dbraw/zinc/11/01/62/722110162.db2.gz VSWBZNYTRFFBLZ-YLJYHZDGSA-N 1 0 409.921 3.406 20 0 HGADRO Clc1ccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cnc2c1 ZINC001164975663 722110725 /nfs/dbraw/zinc/11/07/25/722110725.db2.gz KEQIMXURVIJJDY-UTKZUKDTSA-N 1 0 409.921 3.406 20 0 HGADRO CCc1cc2c(ncnc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001164977398 722115281 /nfs/dbraw/zinc/11/52/81/722115281.db2.gz NASISJQHKTZNKT-FXAWDEMLSA-N 1 0 409.559 3.376 20 0 HGADRO Clc1ccc2c(cnnc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164981165 722121623 /nfs/dbraw/zinc/12/16/23/722121623.db2.gz TZMGALLBHGFTCJ-LAUBAEHRSA-N 1 0 409.921 3.406 20 0 HGADRO c1ccc2c(c1)[nH]c1ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164976398 722123898 /nfs/dbraw/zinc/12/38/98/722123898.db2.gz LNTWVRFKXNLGLE-GHTZIAJQSA-N 1 0 414.513 3.233 20 0 HGADRO Fc1ccc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164976120 722145566 /nfs/dbraw/zinc/14/55/66/722145566.db2.gz HGYTXDWOHLMPFG-NFBKMPQASA-N 1 0 419.504 3.405 20 0 HGADRO c1ccc(Cc2nccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164985053 722147365 /nfs/dbraw/zinc/14/73/65/722147365.db2.gz ZATCDMUFLIUBBL-DHIUTWEWSA-N 1 0 415.541 3.190 20 0 HGADRO c1cc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)cs1 ZINC001164976198 722152266 /nfs/dbraw/zinc/15/22/66/722152266.db2.gz UWJGXGLYAVDELH-WIYYLYMNSA-N 1 0 407.543 3.327 20 0 HGADRO CCOC(=O)c1cnc(OC)nc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995116 722198202 /nfs/dbraw/zinc/19/82/02/722198202.db2.gz RSYWPKAHBJCSMD-JOCHJYFZSA-N 1 0 414.481 3.046 20 0 HGADRO C[N@H+](Cc1ccc(N2CC[C@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)nc1)C1CC1 ZINC001164996873 722220274 /nfs/dbraw/zinc/22/02/74/722220274.db2.gz BFRVDTUTVFGLKN-DEOSSOPVSA-N 1 0 420.513 3.038 20 0 HGADRO Cc1nc(C2CC2)nc(Cl)c1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165004268 722256637 /nfs/dbraw/zinc/25/66/37/722256637.db2.gz PAAMNPWBXROCCO-UHFFFAOYSA-N 1 0 404.946 3.001 20 0 HGADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc3nc(Cl)cnc3cc1F)CCC2 ZINC001165004313 722257137 /nfs/dbraw/zinc/25/71/37/722257137.db2.gz QAONEFICGVGGRA-UHFFFAOYSA-N 1 0 418.904 3.107 20 0 HGADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncc(F)c(-c3ccsc3)n1)CCC2 ZINC001165003438 722257987 /nfs/dbraw/zinc/25/79/87/722257987.db2.gz CYTXKEZULOLBLQ-UHFFFAOYSA-N 1 0 416.526 3.029 20 0 HGADRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000473996373 1126094637 /nfs/dbraw/zinc/09/46/37/1126094637.db2.gz PYHCEKKLWUBEFW-FQEVSTJZSA-N 1 0 419.363 3.287 20 0 HGADRO COc1cc(Br)c(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)F)cc1O ZINC000494598771 1126094974 /nfs/dbraw/zinc/09/49/74/1126094974.db2.gz FRDKPJUDQMNLDQ-YOEHRIQHSA-N 1 0 416.262 3.490 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nnc(-c3ccc(Cl)cc3)n2C)cc1 ZINC001176589785 1126150045 /nfs/dbraw/zinc/15/00/45/1126150045.db2.gz YQQMASGEZMTHSU-OAQYLSRUSA-N 1 0 400.910 3.227 20 0 HGADRO CC(C)(C)OC(=O)N1CCc2nc(C[NH2+][C@H](CO)Cc3ccccc3)sc2C1 ZINC001178509461 1126151117 /nfs/dbraw/zinc/15/11/17/1126151117.db2.gz KIQLPWRDXNYWAB-INIZCTEOSA-N 1 0 403.548 3.130 20 0 HGADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cnc(-c3ccccc3F)s2)[C@H](O)C1 ZINC001179402354 1126152266 /nfs/dbraw/zinc/15/22/66/1126152266.db2.gz SGXFILKTHZUUSJ-DLBZAZTESA-N 1 0 407.511 3.409 20 0 HGADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cnc(-c3ccccc3F)s2)[C@@H](O)C1 ZINC001179402357 1126152275 /nfs/dbraw/zinc/15/22/75/1126152275.db2.gz SGXFILKTHZUUSJ-SJORKVTESA-N 1 0 407.511 3.409 20 0 HGADRO COC(=O)c1ccc(C[NH2+][C@@](C)(CO)Cc2ccccc2F)cc1Br ZINC001183144952 1126153108 /nfs/dbraw/zinc/15/31/08/1126153108.db2.gz DGAUYNHZWLOKKD-LJQANCHMSA-N 1 0 410.283 3.458 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cn(-c3ccc(F)cc3Cl)nn2)cc1 ZINC001203581752 1126159035 /nfs/dbraw/zinc/15/90/35/1126159035.db2.gz WHXUWLRXCMFJAC-HXUWFJFHSA-N 1 0 404.873 3.152 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(I)cc2)cc1 ZINC001308114058 1126162963 /nfs/dbraw/zinc/16/29/63/1126162963.db2.gz KTUYCICUMQBVLW-GOSISDBHSA-N 1 0 411.283 3.383 20 0 HGADRO CC(C)(C)OC(=O)N1CCc2nc(C[NH2+][C@@H](CO)Cc3ccccc3)sc2C1 ZINC001461448452 1126194869 /nfs/dbraw/zinc/19/48/69/1126194869.db2.gz KIQLPWRDXNYWAB-MRXNPFEDSA-N 1 0 403.548 3.130 20 0 HGADRO COC(=O)c1ccc(C[NH2+][C@](C)(CO)Cc2ccc(F)cc2)c(Br)c1 ZINC001462473067 1126197575 /nfs/dbraw/zinc/19/75/75/1126197575.db2.gz MWMIYADKWPHPQK-IBGZPJMESA-N 1 0 410.283 3.458 20 0 HGADRO COC(=O)c1ccc(C[NH2+][C@@](C)(CO)Cc2ccccc2OC)cc1Br ZINC001462474709 1126197579 /nfs/dbraw/zinc/19/75/79/1126197579.db2.gz PTPSOQCWKHPJQZ-HXUWFJFHSA-N 1 0 422.319 3.328 20 0 HGADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nccn1CC(F)(F)F ZINC001473837809 1126199232 /nfs/dbraw/zinc/19/92/32/1126199232.db2.gz AJUSSBJKMJHCTN-HNNXBMFYSA-N 1 0 406.246 3.291 20 0 HGADRO COc1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cc(OC)c1 ZINC001461636360 1126195609 /nfs/dbraw/zinc/19/56/09/1126195609.db2.gz ZJMDZGIGTPHMPA-HXUWFJFHSA-N 1 0 406.320 3.476 20 0 HGADRO O=C1CN(C(F)(F)c2ccc3nc(Cl)cc(Cl)c3c2)CC2(CC[NH2+]CC2)N1 ZINC001164389971 718809153 /nfs/dbraw/zinc/80/91/53/718809153.db2.gz MKPHFQVLWQGLPO-UHFFFAOYSA-N 1 0 415.271 3.145 20 0 HGADRO FC(F)(F)[C@H]1N(C(F)(F)COc2cncc(Cl)n2)CCC12CC[NH2+]CC2 ZINC001164386937 718815467 /nfs/dbraw/zinc/81/54/67/718815467.db2.gz CADSIJQFCWQZFK-LBPRGKRZSA-N 1 0 400.779 3.108 20 0 HGADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)n1 ZINC001164405566 718864552 /nfs/dbraw/zinc/86/45/52/718864552.db2.gz FELPSQNJQVBYPG-IEBWSBKVSA-N 1 0 423.586 3.235 20 0 HGADRO COc1cc(C(F)(F)N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc(Cl)n1 ZINC001164414838 718881752 /nfs/dbraw/zinc/88/17/52/718881752.db2.gz XUPKVWQMDLRKQB-SNVBAGLBSA-N 1 0 400.779 3.337 20 0 HGADRO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1C[C@@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164427905 718948036 /nfs/dbraw/zinc/94/80/36/718948036.db2.gz HARHIRXFZRAXPG-OLZOCXBDSA-N 1 0 407.877 3.446 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cnc(Cl)cc3N)CC2)CC1 ZINC001164616306 719027550 /nfs/dbraw/zinc/02/75/50/719027550.db2.gz AAGLDDWKCDWNRX-UHFFFAOYSA-N 1 0 416.900 3.106 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc4ccc(OC)cc4nc3C)CC2)CC1 ZINC001164617945 719032646 /nfs/dbraw/zinc/03/26/46/719032646.db2.gz QAKMOUDBWDJXAS-UHFFFAOYSA-N 1 0 412.534 3.191 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C)c(C(=O)OC)cc3Cl)CC2)CC1 ZINC001164616363 719034336 /nfs/dbraw/zinc/03/43/36/719034336.db2.gz ALIVXRQSRKNTPC-UHFFFAOYSA-N 1 0 423.941 3.074 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)Oc3ccnc(Cl)c3)CC2)CC1 ZINC001164617476 719034426 /nfs/dbraw/zinc/03/44/26/719034426.db2.gz KWHWNFVPHWNMQB-UHFFFAOYSA-N 1 0 417.884 3.404 20 0 HGADRO O=C(NC1CCCC1)c1ccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nn1 ZINC001164629597 719103876 /nfs/dbraw/zinc/10/38/76/719103876.db2.gz SUAZLCYBIQCOMB-DENIHFKCSA-N 1 0 405.546 3.250 20 0 HGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncccc3F)CC2)c2ccccc21 ZINC001164682978 719656565 /nfs/dbraw/zinc/65/65/65/719656565.db2.gz UJWXTGPALPTPHE-GOSISDBHSA-N 1 0 410.537 3.314 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncc(OC)c3ccc(Cl)cc31)CC2 ZINC001164687614 719720106 /nfs/dbraw/zinc/72/01/06/719720106.db2.gz ZSYFXGICFIPYFS-UHFFFAOYSA-N 1 0 402.926 3.078 20 0 HGADRO COC(=O)c1cnc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)cc1OC ZINC001164691237 719804533 /nfs/dbraw/zinc/80/45/33/719804533.db2.gz GHVRKAMKTLPALD-UHFFFAOYSA-N 1 0 416.547 3.277 20 0 HGADRO Cc1cc(Cl)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1C(N)=O ZINC001164694879 719886969 /nfs/dbraw/zinc/88/69/69/719886969.db2.gz GPRNLPSEZKVRBQ-UHFFFAOYSA-N 1 0 420.966 3.075 20 0 HGADRO COC(=O)c1ccc(C)nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164695656 719887261 /nfs/dbraw/zinc/88/72/61/719887261.db2.gz PKJIXWLBEBATFA-UHFFFAOYSA-N 1 0 401.532 3.110 20 0 HGADRO COC(=O)c1cc(Cl)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164695684 719887434 /nfs/dbraw/zinc/88/74/34/719887434.db2.gz QTICBDCREDIJLZ-UHFFFAOYSA-N 1 0 421.950 3.455 20 0 HGADRO CNC(=O)c1nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)ccc1Cl ZINC001164697644 719894368 /nfs/dbraw/zinc/89/43/68/719894368.db2.gz MLHKRDLEYTWXTG-UHFFFAOYSA-N 1 0 420.966 3.028 20 0 HGADRO c1csc(C[N@@H+]2CCOC3(CCN(c4ncnc5c4ncn5C4CC4)CC3)C2)c1 ZINC001164705486 719898340 /nfs/dbraw/zinc/89/83/40/719898340.db2.gz CHRMALTXWLUQSF-UHFFFAOYSA-N 1 0 410.547 3.094 20 0 HGADRO CCOC(=O)c1cnc(Cl)cc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164809742 720069094 /nfs/dbraw/zinc/06/90/94/720069094.db2.gz JTEUMGUEMNZPKX-IERDGZPVSA-N 1 0 407.942 3.096 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3[nH]cc(Cl)c31)C2 ZINC001164812714 720070147 /nfs/dbraw/zinc/07/01/47/720070147.db2.gz RHNNGVGZWAEJQS-YJYMSZOUSA-N 1 0 410.349 3.449 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nc(OC)c1)C2 ZINC001164811408 720079770 /nfs/dbraw/zinc/07/97/70/720079770.db2.gz OGKGWXLTVCNLSA-VQIMIIECSA-N 1 0 415.912 3.473 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)nc3ccoc31)CC2 ZINC001164710368 720094665 /nfs/dbraw/zinc/09/46/65/720094665.db2.gz JHNQNSJPCCOSOG-IBGZPJMESA-N 1 0 407.518 3.434 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)ncc1F)CC2 ZINC001164709945 720095313 /nfs/dbraw/zinc/09/53/13/720095313.db2.gz DCCHSMPUHRNDHS-INIZCTEOSA-N 1 0 405.905 3.172 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(C)nc(Cl)n1)C2 ZINC001164812351 720097678 /nfs/dbraw/zinc/09/76/78/720097678.db2.gz QTKNGDNURCGOKO-CRAIPNDOSA-N 1 0 400.901 3.168 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C(=O)OC)cc1C)CC2 ZINC001164718056 720107926 /nfs/dbraw/zinc/10/79/26/720107926.db2.gz RDBYMYYORRGGPE-NRFANRHFSA-N 1 0 424.545 3.079 20 0 HGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3[nH]c(C)c(C)c31)CC2 ZINC001164718051 720120877 /nfs/dbraw/zinc/12/08/77/720120877.db2.gz RBGOQGLGDCQQRS-HXUWFJFHSA-N 1 0 420.561 3.477 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3sc(C)nc31)C2 ZINC001164813127 720124841 /nfs/dbraw/zinc/12/48/41/720124841.db2.gz PPJBPLAGXSPWEI-IFXJQAMLSA-N 1 0 407.971 3.233 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3cccc(OC)c31)C2 ZINC001164814372 720125134 /nfs/dbraw/zinc/12/51/34/720125134.db2.gz SDIDVPXIZIUKQK-AOMKIAJQSA-N 1 0 416.953 3.477 20 0 HGADRO CCCN(CCC)c1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)ncn1 ZINC001164807412 720144764 /nfs/dbraw/zinc/14/47/64/720144764.db2.gz CGMYRGZZWIBCLB-NZQKXSOJSA-N 1 0 401.599 3.288 20 0 HGADRO CCCN(CCC)c1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)ncn1 ZINC001164807415 720144966 /nfs/dbraw/zinc/14/49/66/720144966.db2.gz CGMYRGZZWIBCLB-OFNKIYASSA-N 1 0 401.599 3.288 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cncc(Oc3cccc(OC)c3)n1)C2 ZINC001164813322 720145816 /nfs/dbraw/zinc/14/58/16/720145816.db2.gz QFDVVPCEEDQKBV-YADARESESA-N 1 0 424.545 3.462 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccnc1OC(C)C)CC2 ZINC001164710830 720149741 /nfs/dbraw/zinc/14/97/41/720149741.db2.gz DKFAOGOAKZXDOR-FQEVSTJZSA-N 1 0 411.550 3.166 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc3c(n1)CCCC3)CC2 ZINC001164713952 720151292 /nfs/dbraw/zinc/15/12/92/720151292.db2.gz UIAPJFKYHZPHQA-FQEVSTJZSA-N 1 0 407.562 3.258 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccncc3)nc3c1CCC3)C2 ZINC001164816669 720186021 /nfs/dbraw/zinc/18/60/21/720186021.db2.gz MAXMQSMYMWRVPH-CJFMBICVSA-N 1 0 419.573 3.212 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1ncn3-c1ccccc1)C2 ZINC001164819737 720190639 /nfs/dbraw/zinc/19/06/39/720190639.db2.gz XYIWFTNVHZWBST-NTKDMRAZSA-N 1 0 418.545 3.000 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc(-c3ccncc3)n1)C2 ZINC001164812687 720196000 /nfs/dbraw/zinc/19/60/00/720196000.db2.gz LXEFSTKLUWXGKG-GCJKJVERSA-N 1 0 413.953 3.377 20 0 HGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3ccccc3nc1Cl)CCC2 ZINC001164814086 720218840 /nfs/dbraw/zinc/21/88/40/720218840.db2.gz SOXRSFMCBOJWIA-UHFFFAOYSA-N 1 0 412.925 3.090 20 0 HGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc3c(Cl)ccnc3cn1)CCC2 ZINC001164813452 720229674 /nfs/dbraw/zinc/22/96/74/720229674.db2.gz MNGPWWKCCJDMMV-UHFFFAOYSA-N 1 0 412.925 3.090 20 0 HGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3nccc(Cl)c3n1)CCC2 ZINC001164814511 720232080 /nfs/dbraw/zinc/23/20/80/720232080.db2.gz WKSPOMFPJZGUDK-UHFFFAOYSA-N 1 0 412.925 3.090 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nnc(Cl)c3ccccc32)CC1 ZINC001164823131 720299274 /nfs/dbraw/zinc/29/92/74/720299274.db2.gz ORTLMFZYOSQQAW-MOPGFXCFSA-N 1 0 413.953 3.195 20 0 HGADRO Cc1sc2ncnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1C ZINC001164818937 720299624 /nfs/dbraw/zinc/29/96/24/720299624.db2.gz BUYSAORQPIJAES-QZTJIDSGSA-N 1 0 413.591 3.220 20 0 HGADRO COc1cccc2ccc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc21 ZINC001164818639 720305236 /nfs/dbraw/zinc/30/52/36/720305236.db2.gz AXCPHLBXSNKUIK-WOJBJXKFSA-N 1 0 408.546 3.155 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3cc(Cl)ccc32)CC1 ZINC001164821625 720310415 /nfs/dbraw/zinc/31/04/15/720310415.db2.gz LMGJQBFSJVDFHM-PMACEKPBSA-N 1 0 413.953 3.195 20 0 HGADRO CSc1cc(Cl)ncc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821663 720311845 /nfs/dbraw/zinc/31/18/45/720311845.db2.gz LVTUENFEXOKCEW-HZPDHXFCSA-N 1 0 408.999 3.368 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc3ccc(Cl)nc3cn2)CC1 ZINC001164832918 720321555 /nfs/dbraw/zinc/32/15/55/720321555.db2.gz UXMYUBXEJFIVFW-RTBURBONSA-N 1 0 413.953 3.195 20 0 HGADRO CCOc1ccc(Cl)nc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827259 720323770 /nfs/dbraw/zinc/32/37/70/720323770.db2.gz HIUPILZZPNWARB-IAGOWNOFSA-N 1 0 406.958 3.045 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc3c(Cl)ccnc3n2)CC1 ZINC001164828467 720324203 /nfs/dbraw/zinc/32/42/03/720324203.db2.gz JQHDNKABHFGHSL-RBUKOAKNSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc3c(Cl)ccnc3cn2)CC1 ZINC001164826210 720325971 /nfs/dbraw/zinc/32/59/71/720325971.db2.gz FTEAITHGMIESOD-PMACEKPBSA-N 1 0 413.953 3.195 20 0 HGADRO CCOC(=O)c1sc2ncnc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164728392 720329953 /nfs/dbraw/zinc/32/99/53/720329953.db2.gz VLLHWSNPOQLXGW-IRXDYDNUSA-N 1 0 423.542 3.425 20 0 HGADRO CC(C)COc1cccc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164823775 720332560 /nfs/dbraw/zinc/33/25/60/720332560.db2.gz BDNWIDKHQBANIR-UXHICEINSA-N 1 0 400.567 3.028 20 0 HGADRO CC(C)COc1cccc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164823776 720332667 /nfs/dbraw/zinc/33/26/67/720332667.db2.gz BDNWIDKHQBANIR-VQTJNVASSA-N 1 0 400.567 3.028 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)cc(C(C)(C)C)n2)CC1 ZINC001164832955 720333216 /nfs/dbraw/zinc/33/32/16/720333216.db2.gz UZKWNYUMDQILEJ-IRXDYDNUSA-N 1 0 420.001 3.339 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)cc(C(C)(C)C)n2)CC1 ZINC001164832953 720333471 /nfs/dbraw/zinc/33/34/71/720333471.db2.gz UZKWNYUMDQILEJ-IAGOWNOFSA-N 1 0 420.001 3.339 20 0 HGADRO O=C(NCc1ccccc1)c1cccnc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164729817 720341750 /nfs/dbraw/zinc/34/17/50/720341750.db2.gz YIRQRCWYTQYXOM-GOTSBHOMSA-N 1 0 413.525 3.260 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(C3CCC3)nc3[nH]ccc32)CC1 ZINC001164822894 720355856 /nfs/dbraw/zinc/35/58/56/720355856.db2.gz GDEUBAQYNUGPPF-WOJBJXKFSA-N 1 0 422.577 3.137 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(C3CCC3)nc3[nH]ccc32)CC1 ZINC001164822892 720356149 /nfs/dbraw/zinc/35/61/49/720356149.db2.gz GDEUBAQYNUGPPF-VQTJNVASSA-N 1 0 422.577 3.137 20 0 HGADRO C[C@@H]1CCCN(C(=O)c2ccc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc2)C1 ZINC001164731479 720435772 /nfs/dbraw/zinc/43/57/72/720435772.db2.gz KWNMNGMOPYWHMW-BVYCBKJFSA-N 1 0 405.546 3.202 20 0 HGADRO c1cncc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2ccc(-c3ccc4c(c3)OCCO4)nn2)c1 ZINC001164734743 720441969 /nfs/dbraw/zinc/44/19/69/720441969.db2.gz TZXBXDOVVJNCPI-RTWAWAEBSA-N 1 0 415.497 3.163 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164832973 720514046 /nfs/dbraw/zinc/51/40/46/720514046.db2.gz CEWQGSAJTCUYOG-HRCADAONSA-N 1 0 410.900 3.249 20 0 HGADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncnc3c2ccn3Cc2cccc(F)c2)C1 ZINC001164729470 720516936 /nfs/dbraw/zinc/51/69/36/720516936.db2.gz OIGXAAOSTBRKHS-GOSISDBHSA-N 1 0 419.508 3.013 20 0 HGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4ncccc43)CC[C@@H]21 ZINC001164839434 720518051 /nfs/dbraw/zinc/51/80/51/720518051.db2.gz UJIUINWAKBQVLD-BQFCYCMXSA-N 1 0 411.941 3.253 20 0 HGADRO CSc1ccc(Oc2cc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)ncn2)cc1 ZINC001164735502 720521438 /nfs/dbraw/zinc/52/14/38/720521438.db2.gz YVELDYXGVWAMNQ-MRXNPFEDSA-N 1 0 410.547 3.385 20 0 HGADRO Cc1c[nH]c2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164834923 720525791 /nfs/dbraw/zinc/52/57/91/720525791.db2.gz IGCKLHJXBRHXMO-BRWVUGGUSA-N 1 0 413.957 3.494 20 0 HGADRO CCOc1nc(Cl)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164836570 720527997 /nfs/dbraw/zinc/52/79/97/720527997.db2.gz NGFAEHJFVORBAU-YESZJQIVSA-N 1 0 404.946 3.103 20 0 HGADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164732953 720558898 /nfs/dbraw/zinc/55/88/98/720558898.db2.gz GLEPRFLZGGGCGV-UHFFFAOYSA-N 1 0 417.941 3.075 20 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COc1cccc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c21 ZINC001164837171 720610524 /nfs/dbraw/zinc/61/05/24/720610524.db2.gz HJEHKXSDWPPBRU-QWFCFKBJSA-N 1 0 406.534 3.213 20 0 HGADRO Cc1noc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc2)n1 ZINC001164838379 720613283 /nfs/dbraw/zinc/61/32/83/720613283.db2.gz KVRSXOOETXUVJT-SLFFLAALSA-N 1 0 407.522 3.014 20 0 HGADRO COc1nc(Cl)cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164841905 720661485 /nfs/dbraw/zinc/66/14/85/720661485.db2.gz QXMJBJKMWHGUKS-KRWDZBQOSA-N 1 0 402.926 3.399 20 0 HGADRO CCOC(=O)c1cnc(C)nc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164842693 720678716 /nfs/dbraw/zinc/67/87/16/720678716.db2.gz MRZWLXPIRBKLRP-FQEVSTJZSA-N 1 0 424.545 3.222 20 0 HGADRO COC(=O)c1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ncc1F ZINC001164844495 720679840 /nfs/dbraw/zinc/67/98/40/720679840.db2.gz SPBHDUFCPQQAQD-GOSISDBHSA-N 1 0 413.493 3.267 20 0 HGADRO Clc1cccc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742031 720680969 /nfs/dbraw/zinc/68/09/69/720680969.db2.gz VLTQBIZZYKXHFY-OLZOCXBDSA-N 1 0 417.300 3.069 20 0 HGADRO COc1nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc2c1ccn2C ZINC001164842277 720726546 /nfs/dbraw/zinc/72/65/46/720726546.db2.gz XKQSABDCBXQUDZ-LJQANCHMSA-N 1 0 421.545 3.237 20 0 HGADRO c1cc(N(c2nc(N3CCCC3)nc3c2C[NH2+]CC3)C2CC2)ncc1C[NH+]1CCCC1 ZINC001164843416 720743906 /nfs/dbraw/zinc/74/39/06/720743906.db2.gz JJLZEPKTXPYXPQ-UHFFFAOYSA-N 1 0 419.577 3.014 20 0 HGADRO Cc1nc2sc3c(c2c(N2CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C2)n1)CCCC3 ZINC001164738504 720757025 /nfs/dbraw/zinc/75/70/25/720757025.db2.gz FVDMPTPZSDMJMA-JKSUJKDBSA-N 1 0 422.558 3.010 20 0 HGADRO Clc1cccc2c1ncnc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743331 720817174 /nfs/dbraw/zinc/81/71/74/720817174.db2.gz SGGIBFJQUAUQPY-FUHIMQAGSA-N 1 0 423.952 3.254 20 0 HGADRO Clc1cccc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncc12 ZINC001164743586 720833053 /nfs/dbraw/zinc/83/30/53/720833053.db2.gz JJZMOQFAIJGHLF-LLGFUMIMSA-N 1 0 423.952 3.254 20 0 HGADRO Cc1cc(Cl)c(C)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164739369 720833434 /nfs/dbraw/zinc/83/34/34/720833434.db2.gz ACXVYWJEGRGXKU-CMKODMSKSA-N 1 0 400.958 3.323 20 0 HGADRO Clc1ccc2cnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1 ZINC001164748750 720833948 /nfs/dbraw/zinc/83/39/48/720833948.db2.gz UVMFJQWIOLVYCN-FBBABVLZSA-N 1 0 423.952 3.254 20 0 HGADRO CC(C)(C)Oc1cccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164740469 720834014 /nfs/dbraw/zinc/83/40/14/720834014.db2.gz BWRUSSPGIVIRKE-VAMGGRTRSA-N 1 0 410.566 3.230 20 0 HGADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)cnc3Cl)CC[C@@H]2C1 ZINC001164856520 720837040 /nfs/dbraw/zinc/83/70/40/720837040.db2.gz WSDOOMZNMKRDRA-IUODEOHRSA-N 1 0 410.292 3.107 20 0 HGADRO 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410.562 3.364 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(CC(C)C)ncn1)CC2 ZINC001164788803 721468066 /nfs/dbraw/zinc/46/80/66/721468066.db2.gz LFYUJTAMEUQRDR-JOCHJYFZSA-N 1 0 416.610 3.409 20 0 HGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C(F)F)cn1)CC2 ZINC001164789866 721470528 /nfs/dbraw/zinc/47/05/28/721470528.db2.gz OQOBDCQAHAERNQ-SFHVURJKSA-N 1 0 410.509 3.148 20 0 HGADRO COC(=O)c1ccc(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164901709 721510089 /nfs/dbraw/zinc/51/00/89/721510089.db2.gz YDTBOJGHHCMLOC-GOEBONIOSA-N 1 0 405.857 3.003 20 0 HGADRO Cc1nc(Cl)cc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164900721 721519316 /nfs/dbraw/zinc/51/93/16/721519316.db2.gz UIIBTKRANSXKAN-HOCLYGCPSA-N 1 0 412.843 3.464 20 0 HGADRO CC1(C)OCc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164901685 721524674 /nfs/dbraw/zinc/52/46/74/721524674.db2.gz XYJNBCYZAIHITI-GOEBONIOSA-N 1 0 418.900 3.376 20 0 HGADRO 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COc1nc(-c2ccccc2)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164902670 721541368 /nfs/dbraw/zinc/54/13/68/721541368.db2.gz AWMJRDQWTQMBSY-QUCCMNQESA-N 1 0 421.476 3.028 20 0 HGADRO CSc1nc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2s1 ZINC001164909326 721545551 /nfs/dbraw/zinc/54/55/51/721545551.db2.gz RLAYZLUSALVLOV-HIFRSBDPSA-N 1 0 417.535 3.289 20 0 HGADRO COc1cc2c(cc1F)ncnc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164809863 721566016 /nfs/dbraw/zinc/56/60/16/721566016.db2.gz XPHDLIIFFGOUHV-RZUBCFFCSA-N 1 0 423.492 3.041 20 0 HGADRO CN(C)C(=O)[C@@H]1CC12CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164906606 721569493 /nfs/dbraw/zinc/56/94/93/721569493.db2.gz KGNFAPVUVCSEQX-NRFANRHFSA-N 1 0 404.558 3.335 20 0 HGADRO Cc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(-c2ccco2)n1 ZINC001164810805 721583063 /nfs/dbraw/zinc/58/30/63/721583063.db2.gz WFPJQSUCLXTHOI-DXIQSLLYSA-N 1 0 405.502 3.308 20 0 HGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(Cc3ccccc3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164799271 721583782 /nfs/dbraw/zinc/58/37/82/721583782.db2.gz AFYPBURHOFHZEQ-TZBSWOFLSA-N 1 0 415.541 3.331 20 0 HGADRO COC(=O)c1cccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906186 721584566 /nfs/dbraw/zinc/58/45/66/721584566.db2.gz LXSYBBQAXTUTBT-FQEVSTJZSA-N 1 0 402.445 3.001 20 0 HGADRO COC(=O)c1ccnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164907040 721584783 /nfs/dbraw/zinc/58/47/83/721584783.db2.gz QMSQHXHQIBKKBH-FQEVSTJZSA-N 1 0 402.445 3.001 20 0 HGADRO CCOC(=O)c1ccnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164906521 721585711 /nfs/dbraw/zinc/58/57/11/721585711.db2.gz NIBHLMQQKAGEKD-NRFANRHFSA-N 1 0 416.472 3.391 20 0 HGADRO COc1cc(C)c2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2c1 ZINC001164804100 721592190 /nfs/dbraw/zinc/59/21/90/721592190.db2.gz INMVVMJMZHGDBI-GIWBLDEGSA-N 1 0 419.529 3.210 20 0 HGADRO Cc1noc2ncnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c12 ZINC001164913843 721732419 /nfs/dbraw/zinc/73/24/19/721732419.db2.gz YWRREVMKWRDXOL-IBGZPJMESA-N 1 0 400.433 3.059 20 0 HGADRO CN(Cc1ccco1)Cc1cncc2c1CCN(c1[nH+][nH]c(Cl)c3ncnc1-3)C2 ZINC001164909538 721757559 /nfs/dbraw/zinc/75/75/59/721757559.db2.gz HHZANQLZSROBDF-UHFFFAOYSA-N 1 0 409.881 3.189 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(CCN(c4cncnc4)C3=O)C2)nc1 ZINC001165020201 721785450 /nfs/dbraw/zinc/78/54/50/721785450.db2.gz NJDVHRIQGCBFNH-ZJSXRUAMSA-N 1 0 420.561 3.442 20 0 HGADRO COC(=O)c1cnc(Cl)nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165021358 721801171 /nfs/dbraw/zinc/80/11/71/721801171.db2.gz GKZKFUJGXLZJGX-WBAXXEDZSA-N 1 0 415.925 3.049 20 0 HGADRO COC(=O)c1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1OC ZINC001165022087 721803456 /nfs/dbraw/zinc/80/34/56/721803456.db2.gz HUYOPGBURRFSKU-DBVUQKKJSA-N 1 0 410.518 3.009 20 0 HGADRO CCOC(=O)Cc1cccnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165017757 721804347 /nfs/dbraw/zinc/80/43/47/721804347.db2.gz AJXLKUSGHGNSEI-KSEOMHKRSA-N 1 0 408.546 3.319 20 0 HGADRO CSc1nc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165026636 721806968 /nfs/dbraw/zinc/80/69/68/721806968.db2.gz RQKQYULUAKGGBA-BPUTZDHNSA-N 1 0 404.971 3.379 20 0 HGADRO Cn1cnc2c1nc(Cl)nc2N1C[C@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165018577 721808507 /nfs/dbraw/zinc/80/85/07/721808507.db2.gz BJVLVNUMQUAHTK-DJIMGWMZSA-N 1 0 411.941 3.149 20 0 HGADRO Cn1c(=O)ccc2ccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc21 ZINC001165021622 721813318 /nfs/dbraw/zinc/81/33/18/721813318.db2.gz FHKIIPGWRASELY-SESVDKBCSA-N 1 0 403.530 3.065 20 0 HGADRO CNC(=O)c1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ccc1Cl ZINC001165025505 721816743 /nfs/dbraw/zinc/81/67/43/721816743.db2.gz NCHZZYPMRJDXHW-IEZWGBDMSA-N 1 0 413.953 3.227 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C(=O)N4CCCC4)ccn3)C[C@H]21 ZINC001165026129 721818922 /nfs/dbraw/zinc/81/89/22/721818922.db2.gz PHSGHJNCGZXCHK-MDNUFGMLSA-N 1 0 419.573 3.450 20 0 HGADRO COc1cnc2c(c1)ncnc2N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025922 721820671 /nfs/dbraw/zinc/82/06/71/721820671.db2.gz OESPJYOWAFULLV-NBHGPNQESA-N 1 0 404.518 3.165 20 0 HGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3cnc(F)cc32)CC1 ZINC001165019226 721839649 /nfs/dbraw/zinc/83/96/49/721839649.db2.gz ACHPLQYTDDLJAG-UHFFFAOYSA-N 1 0 411.481 3.282 20 0 HGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(-n3cnc(C)c3)nn2)CC1 ZINC001165021255 721842538 /nfs/dbraw/zinc/84/25/38/721842538.db2.gz JNAKMNPQSCZBKO-UHFFFAOYSA-N 1 0 422.533 3.089 20 0 HGADRO COC(=O)c1ccc(-c2ccc(N3CC[C@@H]4[C@H]3CC[N@@H+]4CCN(C)C)nc2C)cc1 ZINC001164922384 721876512 /nfs/dbraw/zinc/87/65/12/721876512.db2.gz GKFZZNBRNCROKP-FGZHOGPDSA-N 1 0 408.546 3.058 20 0 HGADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ccc(-c2ccc(N3CCCCC3)cc2)nn1 ZINC001164935141 721885659 /nfs/dbraw/zinc/88/56/59/721885659.db2.gz WNCABUMVKLEYPC-ZEQRLZLVSA-N 1 0 420.605 3.349 20 0 HGADRO c1cc(N2CCCCC2)ccc1-c1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)nn1 ZINC001165045011 721922892 /nfs/dbraw/zinc/92/28/92/721922892.db2.gz YFVKQBJUGLLCDC-JOCHJYFZSA-N 1 0 407.562 3.435 20 0 HGADRO CCCNC(=O)c1ccc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc1 ZINC001164940188 721931283 /nfs/dbraw/zinc/93/12/83/721931283.db2.gz RGTIFVOKOKAYDK-UHFFFAOYSA-N 1 0 422.573 3.401 20 0 HGADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncnc5c4ncn5C4CC4)CC3)C2)cc1 ZINC001164938659 721931520 /nfs/dbraw/zinc/93/15/20/721931520.db2.gz DADWSNVWONVCLF-UHFFFAOYSA-N 1 0 418.545 3.341 20 0 HGADRO COc1nc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc2c1ccn2C ZINC001164942731 721932971 /nfs/dbraw/zinc/93/29/71/721932971.db2.gz MSYZKQJWQKEPAW-UHFFFAOYSA-N 1 0 421.545 3.157 20 0 HGADRO CCC(C)(C)NS(=O)(=O)c1ccc(N2CCCC[C@H]2CC[NH+]2CCCC2)nc1 ZINC001165047449 721976075 /nfs/dbraw/zinc/97/60/75/721976075.db2.gz HHNWKNNNTGFAKO-SFHVURJKSA-N 1 0 408.612 3.393 20 0 HGADRO CC[NH+](CC)C1CCN(c2ccc(-c3ccc(OC)c(OC)c3OC)nn2)CC1 ZINC001165054408 722007143 /nfs/dbraw/zinc/00/71/43/722007143.db2.gz LVPLWGZQMLSGCU-UHFFFAOYSA-N 1 0 400.523 3.480 20 0 HGADRO Clc1nc2cc[nH]c2c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164960486 722051514 /nfs/dbraw/zinc/05/15/14/722051514.db2.gz PIKSAOQCNHBVDF-UHFFFAOYSA-N 1 0 412.925 3.125 20 0 HGADRO F[C@H](Oc1ccnc(Cl)c1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164964867 722054501 /nfs/dbraw/zinc/05/45/01/722054501.db2.gz YUYZJTMJYHNQJE-FQEVSTJZSA-N 1 0 420.916 3.377 20 0 HGADRO Clc1cnc(Cl)c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164963143 722055022 /nfs/dbraw/zinc/05/50/22/722055022.db2.gz HOPZPGZRDSONMV-UHFFFAOYSA-N 1 0 408.333 3.297 20 0 HGADRO CCOc1c(Cl)ncnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963794 722056962 /nfs/dbraw/zinc/05/69/62/722056962.db2.gz LBYQJQNPGUWASU-UHFFFAOYSA-N 1 0 417.941 3.043 20 0 HGADRO Fc1cnc2ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc2c1 ZINC001164963279 722058874 /nfs/dbraw/zinc/05/88/74/722058874.db2.gz VIKBILVKKMWIOR-UHFFFAOYSA-N 1 0 407.493 3.283 20 0 HGADRO CC(C)CNC(=O)c1nc2c(s1)CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164964850 722066983 /nfs/dbraw/zinc/06/69/83/722066983.db2.gz DCFUHLOGWIHPNL-UHFFFAOYSA-N 1 0 413.591 3.125 20 0 HGADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967753 722075203 /nfs/dbraw/zinc/07/52/03/722075203.db2.gz UZQWCMBUHNWDOE-RLLQIKCJSA-N 1 0 407.562 3.308 20 0 HGADRO CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(c3ccc(C[N@H+](C)C4CC4)cn3)C[C@@H]21 ZINC001164985847 722098100 /nfs/dbraw/zinc/09/81/00/722098100.db2.gz XFFVRTQIIRDTCB-FUPPJEDESA-N 1 0 405.546 3.222 20 0 HGADRO Cc1cc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(Cl)n1 ZINC001164975002 722109791 /nfs/dbraw/zinc/10/97/91/722109791.db2.gz JEDBUHGQVQZAGQ-SJORKVTESA-N 1 0 423.895 3.106 20 0 HGADRO COc1ccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ccc2c1 ZINC001164971937 722109815 /nfs/dbraw/zinc/10/98/15/722109815.db2.gz DUHCXFKFPVORPT-REWPJTCUSA-N 1 0 404.514 3.366 20 0 HGADRO Clc1nc2ccccc2nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972580 722110641 /nfs/dbraw/zinc/11/06/41/722110641.db2.gz GBGDLZYDYDLCRI-YLJYHZDGSA-N 1 0 409.921 3.406 20 0 HGADRO Clc1ccnc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ccc12 ZINC001164977287 722125652 /nfs/dbraw/zinc/12/56/52/722125652.db2.gz MMTIRQRAWBTOFV-FXAWDEMLSA-N 1 0 409.921 3.406 20 0 HGADRO Clc1ccnc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ccc12 ZINC001164977291 722125812 /nfs/dbraw/zinc/12/58/12/722125812.db2.gz MMTIRQRAWBTOFV-PXNSSMCTSA-N 1 0 409.921 3.406 20 0 HGADRO c1csc(-c2cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncn2)c1 ZINC001164983334 722144753 /nfs/dbraw/zinc/14/47/53/722144753.db2.gz UGSLUEZKVLDYQW-UYAOXDASSA-N 1 0 407.543 3.327 20 0 HGADRO CCc1nc(Cl)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)n1 ZINC001164972648 722146302 /nfs/dbraw/zinc/14/63/02/722146302.db2.gz AFYNKMXTJQDTRO-JKSUJKDBSA-N 1 0 422.360 3.468 20 0 HGADRO Fc1ccccc1-c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164977042 722147899 /nfs/dbraw/zinc/14/78/99/722147899.db2.gz IAVBYYPFEVVSOE-XXBNENTESA-N 1 0 419.504 3.405 20 0 HGADRO COc1cc(C)c2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164977124 722158777 /nfs/dbraw/zinc/15/87/77/722158777.db2.gz XGNKTHHMCOIOAQ-DENIHFKCSA-N 1 0 419.529 3.069 20 0 HGADRO Cc1cc(Cl)ncc1C(F)(F)N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165001821 722253895 /nfs/dbraw/zinc/25/38/95/722253895.db2.gz GMZIYXHGNNQPLX-UHFFFAOYSA-N 1 0 413.900 3.273 20 0 HGADRO C[NH+](C)CCOCc1ncn2c1CN(c1cccc(OCc3ccccc3)n1)CCC2 ZINC001165001879 722255253 /nfs/dbraw/zinc/25/52/53/722255253.db2.gz HZYLBFDTTFEPCC-UHFFFAOYSA-N 1 0 421.545 3.346 20 0 HGADRO Cc1ccc(NC(=O)Cc2nc(C[NH2+]C3(CO)Cc4ccccc4C3)cs2)cc1 ZINC000436266492 1126093186 /nfs/dbraw/zinc/09/31/86/1126093186.db2.gz AFCYTPXOXGRCAS-UHFFFAOYSA-N 1 0 407.539 3.252 20 0 HGADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc(OCCN3CCOCC3)c(Cl)c2)cc1 ZINC000466919133 1126094498 /nfs/dbraw/zinc/09/44/98/1126094498.db2.gz ZGVXXFGMTYWUDQ-OAQYLSRUSA-N 1 0 418.965 3.053 20 0 HGADRO OC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1c(F)ccc(I)c1F ZINC000475201624 1126094791 /nfs/dbraw/zinc/09/47/91/1126094791.db2.gz GZRNKJPJRYWCHR-GFCCVEGCSA-N 1 0 421.200 3.402 20 0 HGADRO Cn1cc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000480478512 1126095006 /nfs/dbraw/zinc/09/50/06/1126095006.db2.gz NWYJZTOPBLNGGI-HXUWFJFHSA-N 1 0 411.477 3.081 20 0 HGADRO COC(=O)c1ccc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c(Br)c1 ZINC000560255390 1126097180 /nfs/dbraw/zinc/09/71/80/1126097180.db2.gz QAEUPIXDARAEAL-INIZCTEOSA-N 1 0 417.303 3.410 20 0 HGADRO OC[C@@]1([NH2+]Cc2ncnn2-c2ccccc2)CCc2cc(Br)ccc2C1 ZINC001171949676 1126148705 /nfs/dbraw/zinc/14/87/05/1126148705.db2.gz WNOCAXOEMZIAMF-HXUWFJFHSA-N 1 0 413.319 3.039 20 0 HGADRO COC(=O)c1oc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cc1C ZINC001182883479 1126153128 /nfs/dbraw/zinc/15/31/28/1126153128.db2.gz YYHYTEOHKPFCCE-IBGZPJMESA-N 1 0 408.292 3.147 20 0 HGADRO COC(=O)c1oc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cc1C ZINC001182883480 1126153159 /nfs/dbraw/zinc/15/31/59/1126153159.db2.gz YYHYTEOHKPFCCE-LJQANCHMSA-N 1 0 408.292 3.147 20 0 HGADRO COC(=O)c1ccc(Br)c(C[NH2+][C@](C)(CO)Cc2ccccc2F)c1 ZINC001308117898 1126163820 /nfs/dbraw/zinc/16/38/20/1126163820.db2.gz OPKKGSQEGHCNJW-IBGZPJMESA-N 1 0 410.283 3.458 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nc3c4ccccc4oc3c(=O)[nH]2)cc1OC ZINC001308116599 1126163226 /nfs/dbraw/zinc/16/32/26/1126163226.db2.gz AWQFLPJPABTFBH-QHCPKHFHSA-N 1 0 423.469 3.182 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nc3cc(Cl)ccc3n2C)cc1OC ZINC001308116952 1126163376 /nfs/dbraw/zinc/16/33/76/1126163376.db2.gz LPGFZEDTBYZYHJ-NRFANRHFSA-N 1 0 403.910 3.327 20 0 HGADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC001308479731 1126166793 /nfs/dbraw/zinc/16/67/93/1126166793.db2.gz LLLSCYRRDDEEKP-HXUWFJFHSA-N 1 0 404.873 3.152 20 0 HGADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC001462470316 1126197560 /nfs/dbraw/zinc/19/75/60/1126197560.db2.gz GCDVLUYZDUPZPA-XMMPIXPASA-N 1 0 408.498 3.464 20 0 HGADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC001473751539 1126199178 /nfs/dbraw/zinc/19/91/78/1126199178.db2.gz PHWYXZPICFQZIM-OAQYLSRUSA-N 1 0 400.910 3.227 20 0 HGADRO CCOC(=O)Cn1cc(C[NH2+][C@H](CO)Cc2ccccc2C)c(-c2ccccc2)n1 ZINC001474448424 1126204577 /nfs/dbraw/zinc/20/45/77/1126204577.db2.gz GJDAQVGTPCBTIP-QFIPXVFZSA-N 1 0 407.514 3.115 20 0 HGADRO CC(C)(C)OC(=O)N1CCc2nc(C[NH2+][C@@H](CO)Cc3ccc(F)cc3)sc2C1 ZINC001560458752 1126211268 /nfs/dbraw/zinc/21/12/68/1126211268.db2.gz DIBWJDJYDCMJJC-MRXNPFEDSA-N 1 0 421.538 3.269 20 0 HGADRO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC001560548504 1126212548 /nfs/dbraw/zinc/21/25/48/1126212548.db2.gz QYYQXKPCNXZOCL-IBGZPJMESA-N 1 0 410.283 3.443 20 0 HGADRO CN(C)c1cc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)nc(Cl)n1 ZINC001164387345 718815978 /nfs/dbraw/zinc/81/59/78/718815978.db2.gz FZFONAVQTBOSOD-GFCCVEGCSA-N 1 0 413.822 3.252 20 0 HGADRO COc1cccc(-c2cc(C(F)(F)N3CCN4CC[NH2+]C[C@@H]4C3)cnc2Cl)c1 ZINC001164400047 718844622 /nfs/dbraw/zinc/84/46/22/718844622.db2.gz OHYIYUDSNQXTAS-MRXNPFEDSA-N 1 0 408.880 3.049 20 0 HGADRO CC(C)c1ccc(-c2cc(C(F)(F)N3C[C@H]4C[NH2+]C[C@]4(CO)C3)c(Cl)nn2)cc1 ZINC001164410300 718854822 /nfs/dbraw/zinc/85/48/22/718854822.db2.gz ZWSNRFUFDUZFNL-OXQOHEQNSA-N 1 0 422.907 3.483 20 0 HGADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCO[C@@H]3C[NH2+]CC[C@H]3C2)n1 ZINC001164405568 718864673 /nfs/dbraw/zinc/86/46/73/718864673.db2.gz FELPSQNJQVBYPG-PKOBYXMFSA-N 1 0 423.586 3.235 20 0 HGADRO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1C[C@@H]2[NH2+]Cc3ccccc3[C@@H]2C1 ZINC001164422683 718940949 /nfs/dbraw/zinc/94/09/49/718940949.db2.gz BEFJFGSLGVKKSK-HOTGVXAUSA-N 1 0 405.880 3.351 20 0 HGADRO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001164422685 718941344 /nfs/dbraw/zinc/94/13/44/718941344.db2.gz BEFJFGSLGVKKSK-JKSUJKDBSA-N 1 0 405.880 3.351 20 0 HGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc(Cl)nc1)C2 ZINC001164619362 719006585 /nfs/dbraw/zinc/00/65/85/719006585.db2.gz VVZISFSXBPZVGZ-HNAYVOBHSA-N 1 0 413.896 3.429 20 0 HGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cccc(Cl)n1)C2 ZINC001164616684 719006618 /nfs/dbraw/zinc/00/66/18/719006618.db2.gz LHFCPIVTLGQUFG-AUUYWEPGSA-N 1 0 413.896 3.429 20 0 HGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)c(-c2cccnc2)c1 ZINC001164617205 719018037 /nfs/dbraw/zinc/01/80/37/719018037.db2.gz NAQUXSIDZBOMPA-JQFCIGGWSA-N 1 0 422.863 3.072 20 0 HGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cccc(-c2ccc(Cl)nn2)c1 ZINC001164614874 719018462 /nfs/dbraw/zinc/01/84/62/719018462.db2.gz GRZSSPJCMPZLAT-XOKHGSTOSA-N 1 0 422.863 3.072 20 0 HGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(Cl)nc2c1CCCCC2 ZINC001164617402 719020114 /nfs/dbraw/zinc/02/01/14/719020114.db2.gz NXKUYUORGZNKKU-AFAVFJNCSA-N 1 0 413.896 3.279 20 0 HGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(Cl)nc2c1CCCCC2 ZINC001164617408 719020777 /nfs/dbraw/zinc/02/07/77/719020777.db2.gz NXKUYUORGZNKKU-ZLIFDBKOSA-N 1 0 413.896 3.279 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4[nH]cc(C)c43)CC2)CC1 ZINC001164614391 719024667 /nfs/dbraw/zinc/02/46/67/719024667.db2.gz SAYFUPYXMHJRGI-UHFFFAOYSA-N 1 0 405.930 3.164 20 0 HGADRO CCOC(=O)c1c(C)cc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)nc1C ZINC001164617854 719028762 /nfs/dbraw/zinc/02/87/62/719028762.db2.gz QAJPZGXUKLMSQC-UHFFFAOYSA-N 1 0 417.550 3.119 20 0 HGADRO CCCN(CCC)c1cc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)ncn1 ZINC001164617835 719029221 /nfs/dbraw/zinc/02/92/21/719029221.db2.gz PRNQMVNHHGSHGX-UHFFFAOYSA-N 1 0 417.598 3.347 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3cncc(N4CCCCCC4)n3)CC2)CC1 ZINC001164616478 719033547 /nfs/dbraw/zinc/03/35/47/719033547.db2.gz DCUPXOVQPHETCH-UHFFFAOYSA-N 1 0 415.582 3.101 20 0 HGADRO CC(C)N(C)Cc1nn(-c2cc(Cl)nc(Cc3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164683378 719617294 /nfs/dbraw/zinc/61/72/94/719617294.db2.gz INMXSOSKBYXCBV-UHFFFAOYSA-N 1 0 410.953 3.392 20 0 HGADRO CC(C)N(C)Cc1nn(-c2ccc(NC(=O)OC(C)(C)C)cn2)c2c1CC[NH2+]C2 ZINC001164679494 719636721 /nfs/dbraw/zinc/63/67/21/719636721.db2.gz CPPLDIHDISVTQR-UHFFFAOYSA-N 1 0 400.527 3.100 20 0 HGADRO CC(C)N(C)Cc1nn(-c2nc(-c3cccnc3)nc3ccccc32)c2c1CC[NH2+]C2 ZINC001164679740 719638987 /nfs/dbraw/zinc/63/89/87/719638987.db2.gz LFCGLWRHRHUKSV-UHFFFAOYSA-N 1 0 413.529 3.363 20 0 HGADRO Cc1cnc(C)nc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680630 719665080 /nfs/dbraw/zinc/66/50/80/719665080.db2.gz GMGAOTVCCUGOQC-HXUWFJFHSA-N 1 0 421.589 3.187 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)cc3cc(F)c(OC)cc31)CC2 ZINC001164691595 719758052 /nfs/dbraw/zinc/75/80/52/719758052.db2.gz OWIZAAJCSIDTPB-UHFFFAOYSA-N 1 0 420.916 3.217 20 0 HGADRO Cc1nc(C[N@H+]2CCCC23CCN(c2ncnc4c2[C@H](C)CC(=O)N4)CC3)cs1 ZINC001164693987 719809147 /nfs/dbraw/zinc/80/91/47/719809147.db2.gz SULJMJBPISEQPC-CQSZACIVSA-N 1 0 412.563 3.322 20 0 HGADRO COC(=O)c1ccnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1C ZINC001164694745 719889706 /nfs/dbraw/zinc/88/97/06/719889706.db2.gz DWVXYUOHQWJBHW-UHFFFAOYSA-N 1 0 401.532 3.110 20 0 HGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@H]2CC(=O)N3c2cnn(C)c2)nc1 ZINC001164711316 720076517 /nfs/dbraw/zinc/07/65/17/720076517.db2.gz LJWZBAURNXBAQN-QHAWAJNXSA-N 1 0 408.550 3.136 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nnc(Cl)cc1-c1ccncc1)C2 ZINC001164810863 720082786 /nfs/dbraw/zinc/08/27/86/720082786.db2.gz MBYIYYKWACPODY-XMSQKQJNSA-N 1 0 413.953 3.377 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cncc(OCc3ccccc3)n1)C2 ZINC001164809293 720087723 /nfs/dbraw/zinc/08/77/23/720087723.db2.gz JFSXOPCWBFHBGX-XUZZJYLKSA-N 1 0 408.546 3.240 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1COC3(C)C)C2 ZINC001164814861 720095166 /nfs/dbraw/zinc/09/51/66/720095166.db2.gz XMSSMMOYBUVHNX-BTYIYWSLSA-N 1 0 406.958 3.080 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccnc(NC(=O)OC(C)(C)C)n1)C2 ZINC001164814799 720098176 /nfs/dbraw/zinc/09/81/76/720098176.db2.gz WVKFZKAVOWVRGL-HTAPYJJXSA-N 1 0 417.554 3.008 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)nc3[nH]ccc31)CC2 ZINC001164711032 720104682 /nfs/dbraw/zinc/10/46/82/720104682.db2.gz NISMWUXJJVUSRO-IBGZPJMESA-N 1 0 406.534 3.169 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3cc(C(=O)OC)ccc3n1)C2 ZINC001164813280 720106138 /nfs/dbraw/zinc/10/61/38/720106138.db2.gz QAIKOXWVALCBNM-HYBUGGRVSA-N 1 0 409.530 3.206 20 0 HGADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)c1C ZINC001164811581 720114282 /nfs/dbraw/zinc/11/42/82/720114282.db2.gz MOQTTZBEPWQGEY-HTAPYJJXSA-N 1 0 421.969 3.405 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(C(=O)OC(C)(C)C)cn1)C2 ZINC001164810003 720115387 /nfs/dbraw/zinc/11/53/87/720115387.db2.gz JELHBDCQDSUIQE-AUSIDOKSSA-N 1 0 401.551 3.222 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(N)cc1Cl)CC2 ZINC001164715583 720118572 /nfs/dbraw/zinc/11/85/72/720118572.db2.gz IDQSFKQHRXMUSG-SFHVURJKSA-N 1 0 401.942 3.220 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc(-c3cccc(OC)c3)n1)C2 ZINC001164807056 720144270 /nfs/dbraw/zinc/14/42/70/720144270.db2.gz AXCQWWNPRPRCHH-GBXCKJPGSA-N 1 0 408.546 3.337 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cncc(Oc3cccc(OC)c3)n1)C2 ZINC001164813317 720145616 /nfs/dbraw/zinc/14/56/16/720145616.db2.gz QFDVVPCEEDQKBV-DVECYGJZSA-N 1 0 424.545 3.462 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cncc(Oc3cccc(OC)c3)n1)C2 ZINC001164813314 720146083 /nfs/dbraw/zinc/14/60/83/720146083.db2.gz QFDVVPCEEDQKBV-CYFREDJKSA-N 1 0 424.545 3.462 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1ncn3C(C)C)C2 ZINC001164813861 720147920 /nfs/dbraw/zinc/14/79/20/720147920.db2.gz RGHDMHFAQPNVAV-KKSFZXQISA-N 1 0 418.973 3.245 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc3c(n1)-c1ccccc1CC3)C2 ZINC001164817796 720151125 /nfs/dbraw/zinc/15/11/25/720151125.db2.gz QHJGXRLFOWFUPE-BWKNWUBXSA-N 1 0 404.558 3.427 20 0 HGADRO CCc1cc2c(nc(Cl)nc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)[nH]1 ZINC001164814246 720155025 /nfs/dbraw/zinc/15/50/25/720155025.db2.gz FDPTUTOJPRGERR-YCRPNKLZSA-N 1 0 403.958 3.358 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccncc3)nc(C)c1C)C2 ZINC001164816241 720184175 /nfs/dbraw/zinc/18/41/75/720184175.db2.gz KJHHZIMPOWJVLX-QPPBQGQZSA-N 1 0 407.562 3.340 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccncc3)nc3c1CCC3)C2 ZINC001164816671 720184859 /nfs/dbraw/zinc/18/48/59/720184859.db2.gz MAXMQSMYMWRVPH-CPJSRVTESA-N 1 0 419.573 3.212 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3[nH]c4cc(F)ccc4c31)C2 ZINC001164811740 720203031 /nfs/dbraw/zinc/20/30/31/720203031.db2.gz JYIYEHFASGZHJC-WAIKUNEKSA-N 1 0 409.509 3.435 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3[nH]c4cc(F)ccc4c31)C2 ZINC001164811732 720204083 /nfs/dbraw/zinc/20/40/83/720204083.db2.gz JYIYEHFASGZHJC-MWTRTKDXSA-N 1 0 409.509 3.435 20 0 HGADRO COc1ccc2nc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c(C)cc2c1 ZINC001164811679 720208374 /nfs/dbraw/zinc/20/83/74/720208374.db2.gz JPKMENQKGUTJTH-UHFFFAOYSA-N 1 0 421.545 3.359 20 0 HGADRO CSc1cc(Cl)ncc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164814789 720218458 /nfs/dbraw/zinc/21/84/58/720218458.db2.gz ZESHHKVLHUIVNI-UHFFFAOYSA-N 1 0 407.971 3.264 20 0 HGADRO Cc1cccc(-c2ccc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)nn2)c1 ZINC001164812176 720236830 /nfs/dbraw/zinc/23/68/30/720236830.db2.gz CLBJWZGDJCEGQL-UHFFFAOYSA-N 1 0 418.545 3.259 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cccnc2Cl)CC1 ZINC001164818607 720289665 /nfs/dbraw/zinc/28/96/65/720289665.db2.gz ASPSYKXEDUDTBM-IAGOWNOFSA-N 1 0 412.912 3.191 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nnc(Cl)c3ccsc32)CC1 ZINC001164822654 720305518 /nfs/dbraw/zinc/30/55/18/720305518.db2.gz NXJRRYDBQWAUFL-HOTGVXAUSA-N 1 0 419.982 3.256 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nccc(-c3ccc(F)cc3)n2)CC1 ZINC001164823202 720315934 /nfs/dbraw/zinc/31/59/34/720315934.db2.gz PLJYQTYZQSSYQP-FCHUYYIVSA-N 1 0 423.536 3.194 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nncc3cc(Cl)ccc32)CC1 ZINC001164833904 720321148 /nfs/dbraw/zinc/32/11/48/720321148.db2.gz XVLZZCNNKMMLNR-WOJBJXKFSA-N 1 0 413.953 3.195 20 0 HGADRO O=C(NCc1ccccc1)c1cccnc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164729816 720342792 /nfs/dbraw/zinc/34/27/92/720342792.db2.gz YIRQRCWYTQYXOM-DHIUTWEWSA-N 1 0 413.525 3.260 20 0 HGADRO CCOC(=O)c1c(C)cc(Cl)nc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725923 720364974 /nfs/dbraw/zinc/36/49/74/720364974.db2.gz OEPBAFHQYGLFHE-IAGOWNOFSA-N 1 0 400.910 3.468 20 0 HGADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727058 720386034 /nfs/dbraw/zinc/38/60/34/720386034.db2.gz QFEAVNREQVDLBY-OALUTQOASA-N 1 0 423.904 3.318 20 0 HGADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727053 720387055 /nfs/dbraw/zinc/38/70/55/720387055.db2.gz QFEAVNREQVDLBY-MOPGFXCFSA-N 1 0 423.904 3.318 20 0 HGADRO Cc1nc(CO[C@@H]2CN(c3ncccc3C[NH+]3CCCC3)[C@H]3CCCO[C@H]23)cs1 ZINC001164825840 720392727 /nfs/dbraw/zinc/39/27/27/720392727.db2.gz VOYUEXYVOPIHSS-HBMCJLEFSA-N 1 0 414.575 3.395 20 0 HGADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCn3nnc(Cn4ccnc4)c3C2)nc1 ZINC001164831046 720398767 /nfs/dbraw/zinc/39/87/67/720398767.db2.gz UHKAUEVHFFPGFU-NRFANRHFSA-N 1 0 420.565 3.265 20 0 HGADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2nc(Cl)c3ccccc3n2)C1 ZINC001164732210 720507157 /nfs/dbraw/zinc/50/71/57/720507157.db2.gz SKFAZCUPJJKMSS-ZDUSSCGKSA-N 1 0 406.868 3.223 20 0 HGADRO COC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164835790 720513327 /nfs/dbraw/zinc/51/33/27/720513327.db2.gz LJTVLUJZNAWZQI-RCCFBDPRSA-N 1 0 417.941 3.096 20 0 HGADRO COc1ccc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1 ZINC001164837226 720520811 /nfs/dbraw/zinc/52/08/11/720520811.db2.gz OPIDRXWTELBMSF-JBYIUTFZSA-N 1 0 406.534 3.213 20 0 HGADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc3ccccc3nc2N2CCCCC2)C1 ZINC001164731855 720522650 /nfs/dbraw/zinc/52/26/50/720522650.db2.gz BCEBYAREKNCAOG-GOSISDBHSA-N 1 0 405.550 3.015 20 0 HGADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncnc3c(-c4ccccc4)nsc32)C1 ZINC001164732859 720525022 /nfs/dbraw/zinc/52/50/22/720525022.db2.gz GGUIHRJCRFEMNB-HNNXBMFYSA-N 1 0 405.531 3.148 20 0 HGADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(C)c1 ZINC001164837113 720525045 /nfs/dbraw/zinc/52/50/45/720525045.db2.gz NQBIZDUDJYCQSX-PWRODBHTSA-N 1 0 411.550 3.141 20 0 HGADRO Cc1c[nH]c2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164834926 720526170 /nfs/dbraw/zinc/52/61/70/720526170.db2.gz IGCKLHJXBRHXMO-YESZJQIVSA-N 1 0 413.957 3.494 20 0 HGADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cc(Cl)nc(-c3ccc(F)cc3)n2)C1 ZINC001164734197 720527887 /nfs/dbraw/zinc/52/78/87/720527887.db2.gz NRKFYRFXXHXHEX-AWEZNQCLSA-N 1 0 400.889 3.331 20 0 HGADRO COC(=O)c1c(C)cc(C)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164833752 720541045 /nfs/dbraw/zinc/54/10/45/720541045.db2.gz BMNKJENTPZWOOL-SLFFLAALSA-N 1 0 411.550 3.059 20 0 HGADRO CSc1nc(Cl)ncc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164842011 720543795 /nfs/dbraw/zinc/54/37/95/720543795.db2.gz WDBXCOFZXJEDLS-ARFHVFGLSA-N 1 0 406.987 3.426 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN([C@H](F)Oc3ccc(Cl)nc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839549 720544701 /nfs/dbraw/zinc/54/47/01/720544701.db2.gz QMROUIYSHDULJJ-HNAWSFBYSA-N 1 0 407.921 3.437 20 0 HGADRO 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20 0 HGADRO Cc1cc(OCc2ccccc2)nc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164767249 721230661 /nfs/dbraw/zinc/23/06/61/721230661.db2.gz WMDITDSAIXENFQ-YADHBBJMSA-N 1 0 418.545 3.056 20 0 HGADRO C[C@H]1c2ncc(COCC3CC3)n2CCN1c1cccc(OCC[NH+]2CCCC2)n1 ZINC001164873937 721241643 /nfs/dbraw/zinc/24/16/43/721241643.db2.gz RDIIYZZZAYFGSU-SFHVURJKSA-N 1 0 411.550 3.261 20 0 HGADRO CCOC(=O)c1sc2nc(C)nc(N3CC4(C3)CC[N@H+](CC3CC3)C4)c2c1C ZINC001164768007 721297647 /nfs/dbraw/zinc/29/76/47/721297647.db2.gz DDRJGQNVNONNDJ-UHFFFAOYSA-N 1 0 400.548 3.407 20 0 HGADRO O=C1NC[C@@H](c2ccccc2)C12CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164873761 721317781 /nfs/dbraw/zinc/31/77/81/721317781.db2.gz BKQKWXWTEJIDDM-NRFANRHFSA-N 1 0 420.557 3.056 20 0 HGADRO C[N@H+](Cc1ccc(N2CCC3(CCN(C(=O)c4cscn4)C3)CC2)nc1)C1CC1 ZINC001164873988 721329134 /nfs/dbraw/zinc/32/91/34/721329134.db2.gz FJEJVPRILVXDEJ-UHFFFAOYSA-N 1 0 411.575 3.265 20 0 HGADRO Cc1cccc(N(c2nc(Cl)nc3c2CN(C)CC3)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164776056 721329681 /nfs/dbraw/zinc/32/96/81/721329681.db2.gz CEWGLANQEZPZTK-HTAPYJJXSA-N 1 0 413.953 3.085 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncnc5ccc(Cl)cc54)C3)O2)CC1 ZINC001164892262 721392511 /nfs/dbraw/zinc/39/25/11/721392511.db2.gz SMSKQCDKAVEKKO-PGRDOPGGSA-N 1 0 415.969 3.049 20 0 HGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncnc5cc(Cl)ccc54)C3)O2)CC1 ZINC001164887677 721401283 /nfs/dbraw/zinc/40/12/83/721401283.db2.gz MDPMKZSLFIDZKW-XMSQKQJNSA-N 1 0 415.969 3.049 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncnc5cc(Cl)ccc54)C3)O2)CC1 ZINC001164887674 721401420 /nfs/dbraw/zinc/40/14/20/721401420.db2.gz MDPMKZSLFIDZKW-AVRDEDQJSA-N 1 0 415.969 3.049 20 0 HGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cnc5c(Cl)cccc5n4)C3)O2)CC1 ZINC001164886689 721402012 /nfs/dbraw/zinc/40/20/12/721402012.db2.gz KSQQEAONQICCAO-VGOFRKELSA-N 1 0 415.969 3.049 20 0 HGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc5nccc(Cl)c5cn4)C3)O2)CC1 ZINC001164884731 721407857 /nfs/dbraw/zinc/40/78/57/721407857.db2.gz FKPSHCKCDXSNSF-VGSWGCGISA-N 1 0 415.969 3.049 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc5c(Cl)ccnc5n4)C3)O2)CC1 ZINC001164889520 721419593 /nfs/dbraw/zinc/41/95/93/721419593.db2.gz RJEZUUNNRWPRSH-JTSKRJEESA-N 1 0 415.969 3.049 20 0 HGADRO Cc1c(Cl)cnc(Cl)c1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892246 721429016 /nfs/dbraw/zinc/42/90/16/721429016.db2.gz HUDWMBZRMNMKFN-OXJNMPFZSA-N 1 0 413.393 3.462 20 0 HGADRO Cc1csc2nc(C)nc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164890240 721441043 /nfs/dbraw/zinc/44/10/43/721441043.db2.gz CQSBSOUZNDWBBA-AVRDEDQJSA-N 1 0 415.607 3.074 20 0 HGADRO Cc1c(Cl)nc(C(C)C)nc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164895445 721446247 /nfs/dbraw/zinc/44/62/47/721446247.db2.gz PDQNQWWFSUPLBI-GCJKJVERSA-N 1 0 422.017 3.327 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(C(C)C)n1)CC2 ZINC001164789361 721463186 /nfs/dbraw/zinc/46/31/86/721463186.db2.gz XJALUXFZWYJIOD-HXUWFJFHSA-N 1 0 402.583 3.334 20 0 HGADRO COC(=O)c1cnc(Cl)nc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164791628 721490822 /nfs/dbraw/zinc/49/08/22/721490822.db2.gz CYBZGZUBLJAUJV-UHFFFAOYSA-N 1 0 415.925 3.193 20 0 HGADRO CCOC(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164901054 721508860 /nfs/dbraw/zinc/50/88/60/721508860.db2.gz WFPFUHCKFXFWDS-FUHWJXTLSA-N 1 0 419.884 3.393 20 0 HGADRO COc1cc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2c(OC)c1 ZINC001164903453 721538465 /nfs/dbraw/zinc/53/84/65/721538465.db2.gz CRPOTYRRGPBHER-LPHOPBHVSA-N 1 0 424.476 3.128 20 0 HGADRO COC(=O)c1ccc(Cl)c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164911994 721538518 /nfs/dbraw/zinc/53/85/18/721538518.db2.gz YAHCNUJIPHWLSA-GDBMZVCRSA-N 1 0 405.857 3.003 20 0 HGADRO CCOC(=O)/C=C\c1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164907319 721543430 /nfs/dbraw/zinc/54/34/30/721543430.db2.gz MYCYVWHPCNUXGM-HDKDFSDTSA-N 1 0 411.477 3.139 20 0 HGADRO COc1cc2c(cc1F)ncnc2N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903008 721544447 /nfs/dbraw/zinc/54/44/47/721544447.db2.gz BREFVRDQUUDLGG-WBVHZDCISA-N 1 0 412.440 3.259 20 0 HGADRO C[C@@H]1CCCN(c2cc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)ncn2)C1 ZINC001164910836 721560316 /nfs/dbraw/zinc/56/03/16/721560316.db2.gz XLHRHYQOFLERPI-QFUCXCTJSA-N 1 0 411.525 3.194 20 0 HGADRO COC(=O)c1cc(C)nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164907948 721584928 /nfs/dbraw/zinc/58/49/28/721584928.db2.gz XCNIMOSEOGRHRH-OAQYLSRUSA-N 1 0 416.472 3.309 20 0 HGADRO COc1ncc(Cl)c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164909801 721732769 /nfs/dbraw/zinc/73/27/69/721732769.db2.gz DSIFAYPXBCWWLI-SFHVURJKSA-N 1 0 409.868 3.271 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3C(=O)N3CCCC3)C[C@H]21 ZINC001165020564 721799123 /nfs/dbraw/zinc/79/91/23/721799123.db2.gz FZZDLOIARUMISI-UEVCKROQSA-N 1 0 419.573 3.450 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(CN4CCOCC4)cn3)C[C@H]21 ZINC001165017744 721802106 /nfs/dbraw/zinc/80/21/06/721802106.db2.gz AINWXMRYDYSLKV-QPTUXGOLSA-N 1 0 421.589 3.046 20 0 HGADRO FC1(F)CCN(c2ncccc2C[NH+]2CCCC2)C[C@]12CCN(c1cnccn1)C2 ZINC001164918002 721803366 /nfs/dbraw/zinc/80/33/66/721803366.db2.gz YYGQLFICFIOQCE-OAQYLSRUSA-N 1 0 414.504 3.210 20 0 HGADRO CCOC(=O)Cc1cccnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165017758 721804270 /nfs/dbraw/zinc/80/42/70/721804270.db2.gz AJXLKUSGHGNSEI-NNWRFLSQSA-N 1 0 408.546 3.319 20 0 HGADRO CC(C)OC(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nn1 ZINC001165027341 721805377 /nfs/dbraw/zinc/80/53/77/721805377.db2.gz VNRKOXDODYOKJX-FBBABVLZSA-N 1 0 409.534 3.174 20 0 HGADRO COC(=O)c1c[nH]c2nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)ccc12 ZINC001165024722 721807789 /nfs/dbraw/zinc/80/77/89/721807789.db2.gz MRKCSQADHSSDJS-ZLGUVYLKSA-N 1 0 419.529 3.481 20 0 HGADRO CCOC(=O)Cc1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1 ZINC001165026236 721812808 /nfs/dbraw/zinc/81/28/08/721812808.db2.gz POVUMDWPJYGLKG-ILWGZMRPSA-N 1 0 408.546 3.319 20 0 HGADRO CNC(=O)c1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1Cl ZINC001165025506 721816675 /nfs/dbraw/zinc/81/66/75/721816675.db2.gz NCHZZYPMRJDXHW-KVSKMBFKSA-N 1 0 413.953 3.227 20 0 HGADRO COCCOC(=O)c1ccnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165027771 721829777 /nfs/dbraw/zinc/82/97/77/721829777.db2.gz TZULBGIICKBEJT-NNWRFLSQSA-N 1 0 424.545 3.017 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN([C@@H](F)Oc3cncc(Cl)n3)C[C@@H]21 ZINC001165027883 721829787 /nfs/dbraw/zinc/82/97/87/721829787.db2.gz USGXEVOUQMMWOB-XNWPKKHHSA-N 1 0 405.905 3.389 20 0 HGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(-c3nnco3)ccn2)CC1 ZINC001165023102 721844249 /nfs/dbraw/zinc/84/42/49/721844249.db2.gz XIEKRBCXHIQWMC-UHFFFAOYSA-N 1 0 409.490 3.250 20 0 HGADRO O=C(NCCSCc1ccco1)c1cccnc1N1CC[NH+](C2CCCC2)CC1 ZINC001165028479 721858039 /nfs/dbraw/zinc/85/80/39/721858039.db2.gz MTWXYUDMVKHWBW-UHFFFAOYSA-N 1 0 414.575 3.402 20 0 HGADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1nc(Cl)c2cc(F)ccc2n1 ZINC001164931244 721861874 /nfs/dbraw/zinc/86/18/74/721861874.db2.gz UMPRLILEJGSBAB-HOTGVXAUSA-N 1 0 413.875 3.182 20 0 HGADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@H]4[C@H]3CC[N@H+]4CCN(C)C)c12 ZINC001164931500 721878946 /nfs/dbraw/zinc/87/89/46/721878946.db2.gz FZQSEFTZNABTRU-FCHUYYIVSA-N 1 0 418.589 3.311 20 0 HGADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncnc5cnc(F)cc54)CC3)C2)cc1 ZINC001164939852 721924072 /nfs/dbraw/zinc/92/40/72/721924072.db2.gz OAJHOFZXKUYWJH-UHFFFAOYSA-N 1 0 407.493 3.344 20 0 HGADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncc5ncnc(Cl)c5n4)CC3)C2)cc1 ZINC001164940624 721928683 /nfs/dbraw/zinc/92/86/83/721928683.db2.gz UUXZMYQBMWDOTL-UHFFFAOYSA-N 1 0 424.936 3.253 20 0 HGADRO COC(=O)c1cc2c(nc(Cl)nc2N2CCCC[C@H]2CC[NH+]2CCCC2)n1C ZINC001165048787 721974987 /nfs/dbraw/zinc/97/49/87/721974987.db2.gz LETRBHCGSIRDMM-AWEZNQCLSA-N 1 0 405.930 3.253 20 0 HGADRO CCC(CC)NS(=O)(=O)c1ccc(N2CCCC[C@@H]2CC[NH+]2CCCC2)nc1 ZINC001165049141 721976211 /nfs/dbraw/zinc/97/62/11/721976211.db2.gz NUFQQAVZDYQEDA-LJQANCHMSA-N 1 0 408.612 3.393 20 0 HGADRO Clc1nc(Cl)c2nc(Cl)nc(N3CC[NH+](CCc4ccccn4)CC3)c2n1 ZINC001165053568 722010317 /nfs/dbraw/zinc/01/03/17/722010317.db2.gz KBADVODQYDSXTL-UHFFFAOYSA-N 1 0 424.723 3.140 20 0 HGADRO Fc1cccc(Cn2ccc3c2ncnc3N2CC[NH+](CCc3ccccn3)CC2)c1 ZINC001165055368 722013555 /nfs/dbraw/zinc/01/35/55/722013555.db2.gz GXBSVGLHNZJULY-UHFFFAOYSA-N 1 0 416.504 3.378 20 0 HGADRO COC(=O)c1nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)ccc1Cl ZINC001164952479 722016932 /nfs/dbraw/zinc/01/69/32/722016932.db2.gz LKUQMCCMKPXEIH-UHFFFAOYSA-N 1 0 400.910 3.409 20 0 HGADRO Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(c2cc(C[NH+](C)C)ccn2)C3)n1 ZINC001164962722 722027316 /nfs/dbraw/zinc/02/73/16/722027316.db2.gz ROBZAFYRYYSJSJ-ISKFKSNPSA-N 1 0 410.562 3.439 20 0 HGADRO FC(F)(c1ccnc(Cl)n1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164958787 722052053 /nfs/dbraw/zinc/05/20/53/722052053.db2.gz GHLJQWAQTHSBDU-UHFFFAOYSA-N 1 0 423.895 3.189 20 0 HGADRO F[C@@H](Oc1ccc(Cl)nc1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963806 722056307 /nfs/dbraw/zinc/05/63/07/722056307.db2.gz LVDBNIPCTHGLHW-HXUWFJFHSA-N 1 0 420.916 3.377 20 0 HGADRO Clc1nnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c2ccccc12 ZINC001164984272 722103870 /nfs/dbraw/zinc/10/38/70/722103870.db2.gz RUDFFNDYBAKUKF-XLIONFOSSA-N 1 0 409.921 3.406 20 0 HGADRO COc1ccc2c(ccnc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164979916 722106909 /nfs/dbraw/zinc/10/69/09/722106909.db2.gz IIQFCPSQKZJBAM-OFNKIYASSA-N 1 0 404.514 3.366 20 0 HGADRO Clc1nnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c2sccc21 ZINC001164979312 722106989 /nfs/dbraw/zinc/10/69/89/722106989.db2.gz IAEUIFVZASTYSY-NVXWUHKLSA-N 1 0 415.950 3.467 20 0 HGADRO c1ccc(Oc2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164982321 722107345 /nfs/dbraw/zinc/10/73/45/722107345.db2.gz NMVFDZGZONEXKE-RBBKRZOGSA-N 1 0 417.513 3.391 20 0 HGADRO Clc1cccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cnc12 ZINC001164982016 722110327 /nfs/dbraw/zinc/11/03/27/722110327.db2.gz VSWBZNYTRFFBLZ-PXNSSMCTSA-N 1 0 409.921 3.406 20 0 HGADRO Clc1cnc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ccc2c1 ZINC001164975637 722112807 /nfs/dbraw/zinc/11/28/07/722112807.db2.gz KDMRWLVWCUJOCF-QUCCMNQESA-N 1 0 409.921 3.406 20 0 HGADRO CC(C)(C)OC(=O)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164980508 722117845 /nfs/dbraw/zinc/11/78/45/722117845.db2.gz RNENCRWYTDYVPZ-LEWJYISDSA-N 1 0 424.545 3.159 20 0 HGADRO Clc1ccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncc2c1 ZINC001164978162 722121951 /nfs/dbraw/zinc/12/19/51/722121951.db2.gz NQRBQGKZUNNZGO-UTKZUKDTSA-N 1 0 409.921 3.406 20 0 HGADRO CCOc1ccc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164971427 722122113 /nfs/dbraw/zinc/12/21/13/722122113.db2.gz CKWSGGHOIYFLSD-CVDCTZTESA-N 1 0 419.529 3.151 20 0 HGADRO Clc1ccnc2cnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cc12 ZINC001164978371 722127659 /nfs/dbraw/zinc/12/76/59/722127659.db2.gz OMNLZPWNSWMVHC-UTKZUKDTSA-N 1 0 409.921 3.406 20 0 HGADRO c1ccc(-c2cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncn2)cc1 ZINC001164975161 722138115 /nfs/dbraw/zinc/13/81/15/722138115.db2.gz DXOMFUUHWKYPQT-JTHBVZDNSA-N 1 0 401.514 3.266 20 0 HGADRO Cc1cc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2cc1C ZINC001164972655 722152478 /nfs/dbraw/zinc/15/24/78/722152478.db2.gz IVMMVXOCEGGQHZ-NZQKXSOJSA-N 1 0 403.530 3.369 20 0 HGADRO C[NH+]1CCN(c2cccc(N3CCC[C@@]4(C[C@@H](OCC5CCCC5)CO4)C3)n2)CC1 ZINC001164981220 722165405 /nfs/dbraw/zinc/16/54/05/722165405.db2.gz PSBFXACVNRGSIQ-ZJSXRUAMSA-N 1 0 414.594 3.168 20 0 HGADRO O=C1CCC(=O)N1Cc1ccc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1 ZINC001164995510 722204051 /nfs/dbraw/zinc/20/40/51/722204051.db2.gz NXIRLRHPVPANQU-XMMPIXPASA-N 1 0 422.504 3.115 20 0 HGADRO COCCOC(=O)c1ccnc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164995724 722212265 /nfs/dbraw/zinc/21/22/65/722212265.db2.gz KEWDMBXLAMHOGZ-HSZRJFAPSA-N 1 0 413.493 3.269 20 0 HGADRO CC(C)CN1c2ccccc2[C@@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)CC[C@@H]21 ZINC001165003701 722245236 /nfs/dbraw/zinc/24/52/36/722245236.db2.gz LMKVGHMWEPVXSN-UNMCSNQZSA-N 1 0 406.578 3.067 20 0 HGADRO COc1ccc2nc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c(C)cc2c1 ZINC001165001223 722250550 /nfs/dbraw/zinc/25/05/50/722250550.db2.gz OWZZICPCJDLBER-UHFFFAOYSA-N 1 0 409.534 3.237 20 0 HGADRO Cc1cccc2c1nc(Cl)nc2N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001164999822 722252240 /nfs/dbraw/zinc/25/22/40/722252240.db2.gz GMMHGZVBYIMPSQ-UHFFFAOYSA-N 1 0 414.941 3.277 20 0 HGADRO C[NH+]1CCN(c2cccc(N3CC[C@@H](OCC4CC4)[C@H]3Cc3ccccc3)n2)CC1 ZINC001165006839 722271705 /nfs/dbraw/zinc/27/17/05/722271705.db2.gz RLWUDEIWNACUEY-DHIUTWEWSA-N 1 0 406.574 3.450 20 0 HGADRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)c1 ZINC000466898660 1126093657 /nfs/dbraw/zinc/09/36/57/1126093657.db2.gz ZWQAGZLTUPWJCA-NRFANRHFSA-N 1 0 407.514 3.250 20 0 HGADRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000571248578 1126097946 /nfs/dbraw/zinc/09/79/46/1126097946.db2.gz OSBSZHGZWFZYRT-INIZCTEOSA-N 1 0 401.308 3.031 20 0 HGADRO CC(=O)Nc1cccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC001171948681 1126148659 /nfs/dbraw/zinc/14/86/59/1126148659.db2.gz CNQKGQCOAGSYEN-HXUWFJFHSA-N 1 0 403.320 3.417 20 0 HGADRO COC(=O)c1ccc(C[NH2+][C@](C)(CO)Cc2ccc(OC)cc2)cc1Br ZINC001183686217 1126153397 /nfs/dbraw/zinc/15/33/97/1126153397.db2.gz PMBREGAMFJBNPP-FQEVSTJZSA-N 1 0 422.319 3.328 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc3c(cc2Br)OCO3)cc1 ZINC001198220040 1126155240 /nfs/dbraw/zinc/15/52/40/1126155240.db2.gz WDXWXYKMAYBGGA-LJQANCHMSA-N 1 0 408.292 3.270 20 0 HGADRO COc1ccc(-c2cc(C[NH2+][C@](C)(CO)Cc3ccc(OC)c(OC)c3)on2)cc1 ZINC001198230045 1126155859 /nfs/dbraw/zinc/15/58/59/1126155859.db2.gz NRDLWUMNGCULAS-QHCPKHFHSA-N 1 0 412.486 3.451 20 0 HGADRO COc1ccc(-c2cc(C[NH2+][C@@](C)(CO)Cc3ccc(OC)c(OC)c3)on2)cc1 ZINC001198230044 1126155866 /nfs/dbraw/zinc/15/58/66/1126155866.db2.gz NRDLWUMNGCULAS-HSZRJFAPSA-N 1 0 412.486 3.451 20 0 HGADRO Nc1nc(Br)ccc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC001460692619 1126191731 /nfs/dbraw/zinc/19/17/31/1126191731.db2.gz JQSJRXNHIKKEOF-GXTWGEPZSA-N 1 0 404.230 3.050 20 0 HGADRO O=c1[nH]c(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)nc2ccsc21 ZINC001473641230 1126198050 /nfs/dbraw/zinc/19/80/50/1126198050.db2.gz JCZJYCUFTGNZRF-GOSISDBHSA-N 1 0 420.332 3.169 20 0 HGADRO CN(C)C(=O)c1cccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC001473641792 1126198459 /nfs/dbraw/zinc/19/84/59/1126198459.db2.gz VTRZPMHHDUNZDL-OAQYLSRUSA-N 1 0 417.347 3.161 20 0 HGADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nccn1CC(F)(F)F ZINC001473837810 1126199012 /nfs/dbraw/zinc/19/90/12/1126199012.db2.gz AJUSSBJKMJHCTN-OAHLLOKOSA-N 1 0 406.246 3.291 20 0 HGADRO O=c1[nH]c2cccc(C[NH2+][C@]3(CO)CCc4cc(Br)ccc4C3)c2o1 ZINC001560532400 1126211824 /nfs/dbraw/zinc/21/18/24/1126211824.db2.gz JDIJZGVQCAUTPJ-LJQANCHMSA-N 1 0 403.276 3.306 20 0 HGADRO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC001560548505 1126212553 /nfs/dbraw/zinc/21/25/53/1126212553.db2.gz QYYQXKPCNXZOCL-LJQANCHMSA-N 1 0 410.283 3.443 20 0 HGADRO COc1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@H]4C3)c(Cl)nn2)c1 ZINC001164410179 718865377 /nfs/dbraw/zinc/86/53/77/718865377.db2.gz YJAZOEBEGYAKSW-KBXCAEBGSA-N 1 0 424.879 3.165 20 0 HGADRO Fc1ccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164407926 718865893 /nfs/dbraw/zinc/86/58/93/718865893.db2.gz LBADOJGBFHUTCF-CXAGYDPISA-N 1 0 412.843 3.296 20 0 HGADRO CN(C)c1cc(Cl)nc(C(F)(F)N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)n1 ZINC001164414682 718880186 /nfs/dbraw/zinc/88/01/86/718880186.db2.gz WDAGCIDSKINNDT-JTQLQIEISA-N 1 0 413.822 3.394 20 0 HGADRO FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)COc1cncc(Cl)n1 ZINC001164413537 718881434 /nfs/dbraw/zinc/88/14/34/718881434.db2.gz JPTIJVGLKRRPFI-JTQLQIEISA-N 1 0 400.779 3.251 20 0 HGADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001164420626 718891580 /nfs/dbraw/zinc/89/15/80/718891580.db2.gz VFYOTJUMTKAMKJ-CQSZACIVSA-N 1 0 402.873 3.210 20 0 HGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc(Cl)nc1)C2 ZINC001164619357 719006561 /nfs/dbraw/zinc/00/65/61/719006561.db2.gz VVZISFSXBPZVGZ-BEFAXECRSA-N 1 0 413.896 3.429 20 0 HGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cccc(Cl)n1)C2 ZINC001164616690 719006605 /nfs/dbraw/zinc/00/66/05/719006605.db2.gz LHFCPIVTLGQUFG-IFXJQAMLSA-N 1 0 413.896 3.429 20 0 HGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(Cl)c(Cl)nc1Cl ZINC001164617782 719016543 /nfs/dbraw/zinc/01/65/43/719016543.db2.gz PPAOHVUWGZTLED-BKDNQFJXSA-N 1 0 414.667 3.317 20 0 HGADRO CN(C)c1cc(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@H]3c3ccccc3)C2)nc(Cl)n1 ZINC001164628727 719048933 /nfs/dbraw/zinc/04/89/33/719048933.db2.gz ZMUSTPVTYOOQDG-HNAYVOBHSA-N 1 0 407.896 3.324 20 0 HGADRO CCOC(=O)c1nnc(Cl)cc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164625805 719074146 /nfs/dbraw/zinc/07/41/46/719074146.db2.gz NHLSFVOGJMWHTC-AEFFLSMTSA-N 1 0 400.910 3.408 20 0 HGADRO Clc1ncc(N2CCOCC2)c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164624960 719079809 /nfs/dbraw/zinc/07/98/09/719079809.db2.gz MHQMUFYRGKQFFI-AZUAARDMSA-N 1 0 413.953 3.067 20 0 HGADRO CON(C)C(=O)c1cc(Cl)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164620425 719080773 /nfs/dbraw/zinc/08/07/73/719080773.db2.gz DXPATNRNIPTXCG-HKUYNNGSSA-N 1 0 414.937 3.469 20 0 HGADRO CCOC(=O)[C@@H]1CCc2nnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)cc2C1 ZINC001164629042 719112795 /nfs/dbraw/zinc/11/27/95/719112795.db2.gz QOBFQRVLXYLVEY-TXTKFYIRSA-N 1 0 420.557 3.245 20 0 HGADRO COc1ccc2nc(C(F)(F)N3C[C@@H](CF)[C@H](C4([NH3+])CC4)C3)nc(Cl)c2c1 ZINC001164620674 719123734 /nfs/dbraw/zinc/12/37/34/719123734.db2.gz JHYMXSKCVRQYTP-ZWNOBZJWSA-N 1 0 400.832 3.350 20 0 HGADRO COc1ccc2nc(C(F)(F)N3C[C@H](CF)[C@H](C4([NH3+])CC4)C3)nc(Cl)c2c1 ZINC001164620669 719123815 /nfs/dbraw/zinc/12/38/15/719123815.db2.gz JHYMXSKCVRQYTP-GXFFZTMASA-N 1 0 400.832 3.350 20 0 HGADRO CCOC(=O)c1cc2c(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)[nH]c(C)c(C)c-2n1 ZINC001164685063 719628210 /nfs/dbraw/zinc/62/82/10/719628210.db2.gz ZIXXBAHFXWMXPD-UHFFFAOYSA-N 1 0 424.549 3.028 20 0 HGADRO CC(C)N(C)Cc1nn(C(F)(F)c2cc(C3CC3)nnc2Cl)c2c1CC[NH2+]C2 ZINC001164680130 719640626 /nfs/dbraw/zinc/64/06/26/719640626.db2.gz PCFVTBFNRFLIFY-UHFFFAOYSA-N 1 0 410.900 3.287 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc3cc(Cl)ncc3cc1OC)CC2 ZINC001164690341 719757738 /nfs/dbraw/zinc/75/77/38/719757738.db2.gz APNQKHIMKRHAGQ-UHFFFAOYSA-N 1 0 402.926 3.078 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccnc2)nc1 ZINC001164690673 719774220 /nfs/dbraw/zinc/77/42/20/719774220.db2.gz GVYHETYTSDFZSO-YPAWHYETSA-N 1 0 405.546 3.403 20 0 HGADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(Cl)ncc2C(N)=O)CC3)cs1 ZINC001164692224 719804395 /nfs/dbraw/zinc/80/43/95/719804395.db2.gz LSMRHYGJHYMUCB-UHFFFAOYSA-N 1 0 405.955 3.234 20 0 HGADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2c(Cl)nccc2C(N)=O)CC3)cs1 ZINC001164703176 719816006 /nfs/dbraw/zinc/81/60/06/719816006.db2.gz UOQPLZAFILWFLC-UHFFFAOYSA-N 1 0 405.955 3.234 20 0 HGADRO O=C1COC2(CCN(c3ccc(C[NH+]4CCCC4)cn3)CC2)CN1c1ccccc1 ZINC001164694139 719836342 /nfs/dbraw/zinc/83/63/42/719836342.db2.gz FLHAXIRRAZJUFJ-UHFFFAOYSA-N 1 0 406.530 3.080 20 0 HGADRO COC(=O)c1ccc(Cl)nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164700330 719885800 /nfs/dbraw/zinc/88/58/00/719885800.db2.gz JWYORBCMLKSJNC-UHFFFAOYSA-N 1 0 421.950 3.455 20 0 HGADRO CCN(CC)c1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)ncn1 ZINC001164696630 719895657 /nfs/dbraw/zinc/89/56/57/719895657.db2.gz GKIFRUZJSQTUIP-UHFFFAOYSA-N 1 0 401.580 3.256 20 0 HGADRO c1csc(C[N@@H+]2CCOC3(CCN(c4ccnc(N5CCCCC5)n4)CC3)C2)c1 ZINC001164697661 719897954 /nfs/dbraw/zinc/89/79/54/719897954.db2.gz MRKHUYLIRRNLKA-UHFFFAOYSA-N 1 0 413.591 3.400 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3ccc(OC)cc31)C2 ZINC001164806706 720067637 /nfs/dbraw/zinc/06/76/37/720067637.db2.gz CZRAGUULRXMHCF-OPAMFIHVSA-N 1 0 416.953 3.477 20 0 HGADRO CCOC(=O)c1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)ncc1Cl ZINC001164814249 720077012 /nfs/dbraw/zinc/07/70/12/720077012.db2.gz WIUBOTWRSROELX-KKSFZXQISA-N 1 0 407.942 3.096 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1CSCC3)C2 ZINC001164811660 720081951 /nfs/dbraw/zinc/08/19/51/720081951.db2.gz OTHCTKPLMUWYMJ-YWZLYKJASA-N 1 0 408.999 3.104 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)Oc1ccc(Cl)nc1)C2 ZINC001164813195 720094955 /nfs/dbraw/zinc/09/49/55/720094955.db2.gz TUJYGKMTBDLDID-QAPCUYQASA-N 1 0 401.885 3.344 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3cc(C(=O)OC)ccc3n1)C2 ZINC001164813277 720106224 /nfs/dbraw/zinc/10/62/24/720106224.db2.gz QAIKOXWVALCBNM-GBXCKJPGSA-N 1 0 409.530 3.206 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)COc1ccnc(Cl)c1)C2 ZINC001164812034 720110366 /nfs/dbraw/zinc/11/03/66/720110366.db2.gz OBLBPSQNMKJCCW-VQIMIIECSA-N 1 0 415.912 3.387 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc(OCc3ccccc3)n1)C2 ZINC001164808622 720114328 /nfs/dbraw/zinc/11/43/28/720114328.db2.gz FWDWISWXQAFTJD-XUZZJYLKSA-N 1 0 408.546 3.240 20 0 HGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)cc(SC)n1)CC2 ZINC001164714260 720117437 /nfs/dbraw/zinc/11/74/37/720117437.db2.gz BFOLJDSDARPDDL-LJQANCHMSA-N 1 0 413.591 3.409 20 0 HGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)nc3c1CCC3)CC2 ZINC001164711202 720134978 /nfs/dbraw/zinc/13/49/78/720134978.db2.gz FZPRZMMZHCTBBS-HXUWFJFHSA-N 1 0 407.562 3.176 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc(C)c(C)c(Cl)n1)C2 ZINC001164807980 720137059 /nfs/dbraw/zinc/13/70/59/720137059.db2.gz DHUROJZGNLXOGU-QFBILLFUSA-N 1 0 414.928 3.476 20 0 HGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1c(F)nc(F)nc1Cl)CC2 ZINC001164714876 720138791 /nfs/dbraw/zinc/13/87/91/720138791.db2.gz ZZPWNNZDAHSPAQ-OAHLLOKOSA-N 1 0 423.895 3.311 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(-c3nnco3)ccn1)CC2 ZINC001164714013 720146685 /nfs/dbraw/zinc/14/66/85/720146685.db2.gz VGHBIRTZWZCQRJ-FQEVSTJZSA-N 1 0 420.517 3.034 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc3c(n1)-c1ccccc1CC3)C2 ZINC001164817802 720150261 /nfs/dbraw/zinc/15/02/61/720150261.db2.gz QHJGXRLFOWFUPE-PXDATVDWSA-N 1 0 404.558 3.427 20 0 HGADRO CCc1cc2c(nc(Cl)nc2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)[nH]1 ZINC001164814244 720155272 /nfs/dbraw/zinc/15/52/72/720155272.db2.gz FDPTUTOJPRGERR-VFNWGFHPSA-N 1 0 403.958 3.358 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc(-c3ccccc3OC)n1)C2 ZINC001164816659 720173638 /nfs/dbraw/zinc/17/36/38/720173638.db2.gz LZMLEUFFLCMMAL-YADARESESA-N 1 0 408.546 3.337 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(-c3ccc(OC)cc3)ncn1)C2 ZINC001164817860 720175217 /nfs/dbraw/zinc/17/52/17/720175217.db2.gz QNHPFGMKNFGVBP-RDPSFJRHSA-N 1 0 408.546 3.337 20 0 HGADRO CCCSc1ncnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)c1OC ZINC001164812944 720200331 /nfs/dbraw/zinc/20/03/31/720200331.db2.gz NJWFQCURLJXEFK-DYESRHJHSA-N 1 0 406.596 3.172 20 0 HGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)cc(C(C)(C)C)n1)CCC2 ZINC001164813856 720232100 /nfs/dbraw/zinc/23/21/00/720232100.db2.gz QIUIWGBGFSTFRZ-UHFFFAOYSA-N 1 0 418.973 3.235 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccnc(Cl)c2)CC1 ZINC001164819264 720289430 /nfs/dbraw/zinc/28/94/30/720289430.db2.gz DENFWPPYJDCVJY-IRXDYDNUSA-N 1 0 412.912 3.191 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cccc(Cl)n2)CC1 ZINC001164819626 720289698 /nfs/dbraw/zinc/28/96/98/720289698.db2.gz FIQDCDVMLUMOQK-HZPDHXFCSA-N 1 0 412.912 3.191 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccnc(-c3ccccc3)n2)CC1 ZINC001164818959 720300809 /nfs/dbraw/zinc/30/08/09/720300809.db2.gz CCDHBXGTVQNGHK-SFTDATJTSA-N 1 0 405.546 3.055 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccnc(-c3ccccc3)n2)CC1 ZINC001164818957 720301166 /nfs/dbraw/zinc/30/11/66/720301166.db2.gz CCDHBXGTVQNGHK-NHCUHLMSSA-N 1 0 405.546 3.055 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(-c3ccccc3)nn2)CC1 ZINC001164823819 720301762 /nfs/dbraw/zinc/30/17/62/720301762.db2.gz PZTUEJFNVOYIRM-FGZHOGPDSA-N 1 0 405.546 3.055 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3ccc(Cl)cc32)CC1 ZINC001164820054 720303043 /nfs/dbraw/zinc/30/30/43/720303043.db2.gz GOUHPNFDGGVIRD-WOJBJXKFSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3cc(Cl)ccc32)CC1 ZINC001164821627 720310066 /nfs/dbraw/zinc/31/00/66/720310066.db2.gz LMGJQBFSJVDFHM-VQTJNVASSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cnc3cc(Cl)ccc3n2)CC1 ZINC001164818921 720310836 /nfs/dbraw/zinc/31/08/36/720310836.db2.gz BRWLBWVUQQEMMU-UXHICEINSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc3ccccc3nc2Cl)CC1 ZINC001164821346 720310942 /nfs/dbraw/zinc/31/09/42/720310942.db2.gz KBHGCYWYWMYLDG-MOPGFXCFSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(Cl)nc3ncccc23)CC1 ZINC001164821292 720314479 /nfs/dbraw/zinc/31/44/79/720314479.db2.gz JVBAJBVUVXENOV-MSOLQXFVSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nncc3cc(Cl)ccc32)CC1 ZINC001164833895 720320978 /nfs/dbraw/zinc/32/09/78/720320978.db2.gz XVLZZCNNKMMLNR-PMACEKPBSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc3ccc(Cl)nc3cn2)CC1 ZINC001164832911 720321454 /nfs/dbraw/zinc/32/14/54/720321454.db2.gz UXMYUBXEJFIVFW-MOPGFXCFSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncc3c(Cl)cccc3n2)CC1 ZINC001164832983 720322561 /nfs/dbraw/zinc/32/25/61/720322561.db2.gz VERMHNTYIOJYAW-UXHICEINSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc3c(Cl)ccnc3n2)CC1 ZINC001164828466 720324630 /nfs/dbraw/zinc/32/46/30/720324630.db2.gz JQHDNKABHFGHSL-OALUTQOASA-N 1 0 413.953 3.195 20 0 HGADRO O=C(NC1CCCCC1)c1cccnc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721717 720340269 /nfs/dbraw/zinc/34/02/69/720340269.db2.gz DBXPIXKMWKATFP-FGZHOGPDSA-N 1 0 405.546 3.392 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC001164830632 720342400 /nfs/dbraw/zinc/34/24/00/720342400.db2.gz WGKVWSOOPNWHFG-VXKWHMMOSA-N 1 0 423.536 3.194 20 0 HGADRO CC(C)c1c(Cl)ncnc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164825913 720351084 /nfs/dbraw/zinc/35/10/84/720351084.db2.gz JXRCMCYQBDRHOG-DLBZAZTESA-N 1 0 405.974 3.165 20 0 HGADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1C ZINC001164724328 720380906 /nfs/dbraw/zinc/38/09/06/720380906.db2.gz JQVYYQVBSPPGHD-ROUUACIJSA-N 1 0 400.910 3.468 20 0 HGADRO CCOC(=O)c1cc2ncnc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2s1 ZINC001164734255 720411584 /nfs/dbraw/zinc/41/15/84/720411584.db2.gz RHIZQKCUCXNJIA-IRXDYDNUSA-N 1 0 409.515 3.116 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@@H](CC(=O)NC(C)C)[C@@H]3C2)nc1 ZINC001164827202 720424553 /nfs/dbraw/zinc/42/45/53/720424553.db2.gz RSKNOZVCWKERNL-YUMYIRISSA-N 1 0 414.594 3.242 20 0 HGADRO COc1ccc(OC)c(-c2ccc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nn2)c1 ZINC001164735044 720457579 /nfs/dbraw/zinc/45/75/79/720457579.db2.gz VEMXZXBXEVZYMF-YADHBBJMSA-N 1 0 417.513 3.409 20 0 HGADRO Cc1cc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc(NC(=O)c2ccccc2)n1 ZINC001164731655 720466978 /nfs/dbraw/zinc/46/69/78/720466978.db2.gz XGFJKJOPVVWBRA-LEWJYISDSA-N 1 0 414.513 3.286 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3ccnc(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839384 720504634 /nfs/dbraw/zinc/50/46/34/720504634.db2.gz TUHGOMUZRBWWQR-OWCLPIDISA-N 1 0 410.900 3.249 20 0 HGADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2nc(Cl)c3ccccc3n2)C1 ZINC001164732209 720507125 /nfs/dbraw/zinc/50/71/25/720507125.db2.gz SKFAZCUPJJKMSS-CYBMUJFWSA-N 1 0 406.868 3.223 20 0 HGADRO CCOC(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1C ZINC001164836018 720507368 /nfs/dbraw/zinc/50/73/68/720507368.db2.gz LNVFLVANXJIWIQ-SVFBPWRDSA-N 1 0 411.550 3.141 20 0 HGADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncnc3c2ccn3Cc2cccc(F)c2)C1 ZINC001164729471 720517183 /nfs/dbraw/zinc/51/71/83/720517183.db2.gz OIGXAAOSTBRKHS-SFHVURJKSA-N 1 0 419.508 3.013 20 0 HGADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cc(Cl)ncc2C(=O)OC(C)(C)C)C1 ZINC001164727440 720518214 /nfs/dbraw/zinc/51/82/14/720518214.db2.gz GJORZDMAYJAAQN-AWEZNQCLSA-N 1 0 405.930 3.085 20 0 HGADRO COc1nc2ccccc2nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164838526 720521883 /nfs/dbraw/zinc/52/18/83/720521883.db2.gz RNUFFZYDPSVOAM-WAOWUJCRSA-N 1 0 406.534 3.213 20 0 HGADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cncc(OCc3cccc(Cl)c3)n2)C1 ZINC001164733677 720532692 /nfs/dbraw/zinc/53/26/92/720532692.db2.gz FDBDTTYUIDBFFX-KRWDZBQOSA-N 1 0 412.925 3.104 20 0 HGADRO COC(=O)c1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1Cl ZINC001164835891 720541004 /nfs/dbraw/zinc/54/10/04/720541004.db2.gz IXVBSBPNTZLVQD-JFIYKMOQSA-N 1 0 417.941 3.096 20 0 HGADRO CSc1nc(Cl)ncc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164842017 720543114 /nfs/dbraw/zinc/54/31/14/720543114.db2.gz WDBXCOFZXJEDLS-HRCADAONSA-N 1 0 406.987 3.426 20 0 HGADRO COc1c(Cl)nc(C)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164839319 720544074 /nfs/dbraw/zinc/54/40/74/720544074.db2.gz QFXNLTAMKXAXDJ-YESZJQIVSA-N 1 0 404.946 3.021 20 0 HGADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1nc(Cl)nc2[nH]cnc21 ZINC001164735595 720546584 /nfs/dbraw/zinc/54/65/84/720546584.db2.gz PZLNXSLBSCRLOY-LLVKDONJSA-N 1 0 414.888 3.019 20 0 HGADRO COC(=O)c1ccc(Cl)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164839638 720554601 /nfs/dbraw/zinc/55/46/01/720554601.db2.gz RDJQBDCNYFRONS-FRQCXROJSA-N 1 0 417.941 3.096 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN(c3cncc(N4CCCCC4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839285 720575462 /nfs/dbraw/zinc/57/54/62/720575462.db2.gz PTSHBNKTPAFZRV-PCCBWWKXSA-N 1 0 409.582 3.041 20 0 HGADRO Cc1nc2sc3c(c2c(N2CCc4ncc(C[NH+]5CCCC5)n4CC2)n1)CCC3 ZINC001164736481 720580636 /nfs/dbraw/zinc/58/06/36/720580636.db2.gz LHAPDKJQVBBFMB-UHFFFAOYSA-N 1 0 408.575 3.343 20 0 HGADRO Cc1nc(C)c(-c2ccc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nn2)s1 ZINC001164736361 720591090 /nfs/dbraw/zinc/59/10/90/720591090.db2.gz KNPKMYIUZFJRSD-UHFFFAOYSA-N 1 0 409.563 3.072 20 0 HGADRO COc1cccc2c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)cc(Cl)nc12 ZINC001164743746 720608081 /nfs/dbraw/zinc/60/80/81/720608081.db2.gz QKMRAPJLWLSNOI-HUUCEWRRSA-N 1 0 411.893 3.029 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(-c4ccncc4)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835909 720622608 /nfs/dbraw/zinc/62/26/08/720622608.db2.gz CQQWTSJKKVGWQT-RZUBCFFCSA-N 1 0 403.534 3.113 20 0 HGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(-c4ccncc4)nn3)CC[C@@H]21 ZINC001164835910 720622775 /nfs/dbraw/zinc/62/27/75/720622775.db2.gz CQQWTSJKKVGWQT-URVUXULASA-N 1 0 403.534 3.113 20 0 HGADRO CN(C)c1nc(Cl)cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164841032 720657050 /nfs/dbraw/zinc/65/70/50/720657050.db2.gz OSFLALJCWWYEKC-GOSISDBHSA-N 1 0 415.969 3.456 20 0 HGADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(Cl)cc1C(N)=O)CC2 ZINC001164840420 720665860 /nfs/dbraw/zinc/66/58/60/720665860.db2.gz MHEXMFCJFADZIJ-GOSISDBHSA-N 1 0 414.937 3.094 20 0 HGADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(Cl)c(C(N)=O)n1)CC2 ZINC001164838141 720666622 /nfs/dbraw/zinc/66/66/22/720666622.db2.gz GBGZJIFHZHDPJL-QGZVFWFLSA-N 1 0 414.937 3.094 20 0 HGADRO CCOC(=O)c1cc(C)nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164845353 720677625 /nfs/dbraw/zinc/67/76/25/720677625.db2.gz YPGLOLYEPPBGPJ-HXUWFJFHSA-N 1 0 424.545 3.222 20 0 HGADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1[nH+][n-]c(Cl)c3ncnc1-3)CC2 ZINC001164844930 720699976 /nfs/dbraw/zinc/69/99/76/720699976.db2.gz WNDYVQKQUKPXPJ-MRXNPFEDSA-N 1 0 412.925 3.266 20 0 HGADRO O=C1CC[C@H]2[C@@H](CCN2c2cccc(OCC[NH+]3CCCC3)n2)N1c1ccccc1 ZINC001164850935 720765885 /nfs/dbraw/zinc/76/58/85/720765885.db2.gz YIBSETIZPHNCBP-LEWJYISDSA-N 1 0 406.530 3.331 20 0 HGADRO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164745963 720800850 /nfs/dbraw/zinc/80/08/50/720800850.db2.gz KZVKQMIKWFTOPT-NUEKZKHPSA-N 1 0 402.930 3.084 20 0 HGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)C3CCC3)[C@@H]3COC[C@H]32)nc1 ZINC001164849744 720804565 /nfs/dbraw/zinc/80/45/65/720804565.db2.gz SSTGNCBMFMUOFY-FNAHDJPLSA-N 1 0 412.578 3.139 20 0 HGADRO FC(F)(c1cccc(Cl)n1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745420 720810304 /nfs/dbraw/zinc/81/03/04/720810304.db2.gz KHRDDZWVJNFEQV-GVDBMIGSSA-N 1 0 422.911 3.251 20 0 HGADRO Clc1ccnc2c1ccnc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164738784 720815708 /nfs/dbraw/zinc/81/57/08/720815708.db2.gz GLOIGAXYFNIEFE-MBOZVWFJSA-N 1 0 423.952 3.254 20 0 HGADRO Clc1cccc2ncc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc12 ZINC001164738356 720817955 /nfs/dbraw/zinc/81/79/55/720817955.db2.gz DYXVBISEDQOITJ-MBOZVWFJSA-N 1 0 423.952 3.254 20 0 HGADRO Clc1cc2ccnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2cn1 ZINC001164738449 720821511 /nfs/dbraw/zinc/82/15/11/720821511.db2.gz FWHHSZVUHFEUTJ-NLWGTHIKSA-N 1 0 423.952 3.254 20 0 HGADRO 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CCc1ccc(-c2ccc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nn2)cc1 ZINC001164769552 721215993 /nfs/dbraw/zinc/21/59/93/721215993.db2.gz MSZMVIRSZKXETF-YADHBBJMSA-N 1 0 402.546 3.398 20 0 HGADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(N)cc3Cl)C2)C1 ZINC001164778229 721351422 /nfs/dbraw/zinc/35/14/22/721351422.db2.gz LOGVWIOADSCGSB-HXUWFJFHSA-N 1 0 405.930 3.041 20 0 HGADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(Cl)cc3N)C2)C1 ZINC001164787057 721364613 /nfs/dbraw/zinc/36/46/13/721364613.db2.gz XXHDULXPCCADNT-FQEVSTJZSA-N 1 0 405.930 3.041 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cccc(Cl)n4)C3)O2)CC1 ZINC001164894577 721382666 /nfs/dbraw/zinc/38/26/66/721382666.db2.gz ZDFRDEBACHWHNJ-QFBILLFUSA-N 1 0 414.928 3.045 20 0 HGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nccc(Oc5ccccc5)n4)C3)O2)CC1 ZINC001164884313 721396491 /nfs/dbraw/zinc/39/64/91/721396491.db2.gz AAKPIFLSEWYCTQ-ZJSXRUAMSA-N 1 0 423.561 3.034 20 0 HGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cnc5cc(Cl)ccc5n4)C3)O2)CC1 ZINC001164883508 721403323 /nfs/dbraw/zinc/40/33/23/721403323.db2.gz AHMPDAYZXPAVBO-GCJKJVERSA-N 1 0 415.969 3.049 20 0 HGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc5nccc(Cl)c5cn4)C3)O2)CC1 ZINC001164884728 721407903 /nfs/dbraw/zinc/40/79/03/721407903.db2.gz FKPSHCKCDXSNSF-VGOFRKELSA-N 1 0 415.969 3.049 20 0 HGADRO Cc1c[nH]c2nc(Cl)cc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164896733 721431910 /nfs/dbraw/zinc/43/19/10/721431910.db2.gz RXABZOJGSYYLLE-HTAPYJJXSA-N 1 0 417.985 3.290 20 0 HGADRO Cc1c(Cl)nc(C(C)C)nc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164895444 721446480 /nfs/dbraw/zinc/44/64/80/721446480.db2.gz PDQNQWWFSUPLBI-AVRDEDQJSA-N 1 0 422.017 3.327 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C(C)C)nn1)CC2 ZINC001164789211 721456093 /nfs/dbraw/zinc/45/60/93/721456093.db2.gz VTJNOWACMILYJE-HXUWFJFHSA-N 1 0 402.583 3.334 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1c(C)nc(C)nc1Cl)CC2 ZINC001164783579 721457935 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3.198 20 0 HGADRO Cn1c(=O)ccc2ccc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)nc21 ZINC001164792253 721496151 /nfs/dbraw/zinc/49/61/51/721496151.db2.gz LSWZIHWFHWPJDM-UHFFFAOYSA-N 1 0 403.530 3.210 20 0 HGADRO CCOC(=O)c1cnc(CC)nc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164794986 721503318 /nfs/dbraw/zinc/50/33/18/721503318.db2.gz GUQZMKQYPMKAKW-UHFFFAOYSA-N 1 0 423.561 3.492 20 0 HGADRO Fc1c[nH]c2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c12 ZINC001164896895 721510005 /nfs/dbraw/zinc/51/00/05/721510005.db2.gz CAXBLMZKZXVFDN-JSGCOSHPSA-N 1 0 405.836 3.231 20 0 HGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(Cl)ccc2-c2ccccc2)CC3)CC1 ZINC001164794455 721513292 /nfs/dbraw/zinc/51/32/92/721513292.db2.gz PWPDKGXQCMDHSJ-UHFFFAOYSA-N 1 0 422.964 3.366 20 0 HGADRO COC(=O)c1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1Cl ZINC001164899598 721514339 /nfs/dbraw/zinc/51/43/39/721514339.db2.gz LGINNCUIZATLDO-GOEBONIOSA-N 1 0 405.857 3.003 20 0 HGADRO Cc1csc2c1nc(Cl)cc2N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164796768 721516391 /nfs/dbraw/zinc/51/63/91/721516391.db2.gz CDZJBIULXUKWNR-UHFFFAOYSA-N 1 0 416.982 3.222 20 0 HGADRO COC(=O)c1cc(Cl)cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164901424 721520835 /nfs/dbraw/zinc/52/08/35/721520835.db2.gz XEWUYJGOTCXPSQ-DOTOQJQBSA-N 1 0 405.857 3.003 20 0 HGADRO Cc1c[nH]c2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c12 ZINC001164899052 721525680 /nfs/dbraw/zinc/52/56/80/721525680.db2.gz JUFHBKIZBBVVMG-GDBMZVCRSA-N 1 0 401.873 3.401 20 0 HGADRO COC(OC)c1cc(C)cnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909722 721547345 /nfs/dbraw/zinc/54/73/45/721547345.db2.gz RRSGMUHIOBEANX-HKUYNNGSSA-N 1 0 401.482 3.162 20 0 HGADRO CCOC(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164902205 721584412 /nfs/dbraw/zinc/58/44/12/721584412.db2.gz CVCXISNJNKNBOI-OAQYLSRUSA-N 1 0 416.472 3.391 20 0 HGADRO Cc1nc(N(C)C)nc2c1COC[C@]21CC[N@@H+](C(C)(C)c2ccnc(Cl)c2)C1 ZINC001164801229 721606854 /nfs/dbraw/zinc/60/68/54/721606854.db2.gz GEKFILYMUONVIA-OAQYLSRUSA-N 1 0 401.942 3.308 20 0 HGADRO FC1(F)CCN(c2[nH+][n-]c(Cl)c3ncnc2-3)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908091 721713068 /nfs/dbraw/zinc/71/30/68/721713068.db2.gz VOBLOVOIFPKAQX-SFHVURJKSA-N 1 0 419.867 3.139 20 0 HGADRO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)n1 ZINC001165012301 721749218 /nfs/dbraw/zinc/74/92/18/721749218.db2.gz FVOPJJFDBOVIAR-OAHLLOKOSA-N 1 0 407.990 3.475 20 0 HGADRO COc1cc2cnc(Cl)cc2cc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165012576 721750828 /nfs/dbraw/zinc/75/08/28/721750828.db2.gz KYKYCEYMFHIWBY-UHFFFAOYSA-N 1 0 416.953 3.420 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3C(=O)N3CCCC3)C[C@@H]21 ZINC001165020562 721799314 /nfs/dbraw/zinc/79/93/14/721799314.db2.gz FZZDLOIARUMISI-AJSBUHFISA-N 1 0 419.573 3.450 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)c(F)cc3C(N)=O)C[C@@H]21 ZINC001165018703 721806441 /nfs/dbraw/zinc/80/64/41/721806441.db2.gz BYBKQXWCAYJMSV-QANKJYHBSA-N 1 0 417.916 3.105 20 0 HGADRO CCOC(=O)c1cc(C)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165023407 721807024 /nfs/dbraw/zinc/80/70/24/721807024.db2.gz JSWIZNUVYXTZCE-DSKINZAPSA-N 1 0 409.534 3.094 20 0 HGADRO COC(=O)c1c[nH]c2nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)ccc12 ZINC001165024718 721807140 /nfs/dbraw/zinc/80/71/40/721807140.db2.gz MRKCSQADHSSDJS-ORYQWCPZSA-N 1 0 419.529 3.481 20 0 HGADRO COC(=O)c1c[nH]c2nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)ccc12 ZINC001165024712 721807145 /nfs/dbraw/zinc/80/71/45/721807145.db2.gz MRKCSQADHSSDJS-NDXORKPFSA-N 1 0 419.529 3.481 20 0 HGADRO COCc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(SC)n1 ZINC001165026880 721811285 /nfs/dbraw/zinc/81/12/85/721811285.db2.gz SAPWQBJMRKXYIV-DBVUQKKJSA-N 1 0 413.591 3.477 20 0 HGADRO CCOC(=O)c1ncnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001165023607 721815088 /nfs/dbraw/zinc/81/50/88/721815088.db2.gz IJXVQSQFSBSZSE-IHPCNDPISA-N 1 0 409.534 3.094 20 0 HGADRO COc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc2c1ccn2C ZINC001165027004 721830557 /nfs/dbraw/zinc/83/05/57/721830557.db2.gz QSMONAAGPFMQMG-FFZOFVMBSA-N 1 0 406.534 3.109 20 0 HGADRO O=C1Nc2c(cccc2F)C12CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001165022523 721833067 /nfs/dbraw/zinc/83/30/67/721833067.db2.gz ORFMFYLNICSRMC-UHFFFAOYSA-N 1 0 410.493 3.186 20 0 HGADRO COC(=O)c1ccc(C)nc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165019312 721838531 /nfs/dbraw/zinc/83/85/31/721838531.db2.gz CTLNUKWNXGASBQ-UHFFFAOYSA-N 1 0 413.518 3.295 20 0 HGADRO COC(=O)c1cc(C)cc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)n1 ZINC001165020478 721842154 /nfs/dbraw/zinc/84/21/54/721842154.db2.gz DZVHXOFBJIWFPS-UHFFFAOYSA-N 1 0 413.518 3.295 20 0 HGADRO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2CC[NH+](C3CCCC3)CC2)n1 ZINC001165032323 721858530 /nfs/dbraw/zinc/85/85/30/721858530.db2.gz QNFWMWSLMOMANV-ZRDIBKRKSA-N 1 0 414.550 3.317 20 0 HGADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001164936282 721878322 /nfs/dbraw/zinc/87/83/22/721878322.db2.gz ZDPGHOKKDAQHLU-COPCDDAFSA-N 1 0 408.594 3.223 20 0 HGADRO Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001164934094 721888343 /nfs/dbraw/zinc/88/83/43/721888343.db2.gz PMFMTMDNKIYGFN-SJORKVTESA-N 1 0 401.942 3.445 20 0 HGADRO Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)c1 ZINC001164929610 721888354 /nfs/dbraw/zinc/88/83/54/721888354.db2.gz BXCVIGRQAAGXFF-QZTJIDSGSA-N 1 0 401.942 3.445 20 0 HGADRO COc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)cc1 ZINC001164929646 721888742 /nfs/dbraw/zinc/88/87/42/721888742.db2.gz BXDWRBCPILXAAR-ROUUACIJSA-N 1 0 417.941 3.146 20 0 HGADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(Cl)nc(N(C)C)n4)CC3)C2)cc1 ZINC001164938340 721920087 /nfs/dbraw/zinc/92/00/87/721920087.db2.gz LRIHOIZNLPXJOG-UHFFFAOYSA-N 1 0 415.969 3.376 20 0 HGADRO CCCNC(=O)c1cccnc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939491 721930621 /nfs/dbraw/zinc/93/06/21/721930621.db2.gz LSBYOVHPOILCFS-UHFFFAOYSA-N 1 0 422.573 3.401 20 0 HGADRO CC(C)n1cnc2c1nc(Cl)nc2N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165045412 721958598 /nfs/dbraw/zinc/95/85/98/721958598.db2.gz SNSMFQNLGIGUAJ-UHFFFAOYSA-N 1 0 400.914 3.262 20 0 HGADRO CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]12 ZINC001164942924 721967373 /nfs/dbraw/zinc/96/73/73/721967373.db2.gz DNBFGGPGASOILN-NOZRDPDXSA-N 1 0 404.558 3.446 20 0 HGADRO FC(F)(COc1cncc(Cl)n1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164956222 722022303 /nfs/dbraw/zinc/02/23/03/722022303.db2.gz YZVQJVCQEFIRKK-UHFFFAOYSA-N 1 0 423.895 3.485 20 0 HGADRO CCOC(=O)c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1C ZINC001164958722 722051845 /nfs/dbraw/zinc/05/18/45/722051845.db2.gz FXRLXLIPIBZDGG-UHFFFAOYSA-N 1 0 424.545 3.081 20 0 HGADRO CCOC(=O)c1cc(C)cnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962360 722056222 /nfs/dbraw/zinc/05/62/22/722056222.db2.gz DGFYYHKXJWAIAB-UHFFFAOYSA-N 1 0 424.545 3.081 20 0 HGADRO F[C@@H](Oc1cccc(Cl)n1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962485 722056248 /nfs/dbraw/zinc/05/62/48/722056248.db2.gz DVPYBTRSZWNKRI-HXUWFJFHSA-N 1 0 420.916 3.377 20 0 HGADRO CCOC(=O)c1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)ncc1C ZINC001164964023 722056946 /nfs/dbraw/zinc/05/69/46/722056946.db2.gz QXOLELXBOUFKLW-UHFFFAOYSA-N 1 0 424.545 3.081 20 0 HGADRO Fc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967880 722077575 /nfs/dbraw/zinc/07/75/75/722077575.db2.gz MERKSQJALFFPEU-GASCZTMLSA-N 1 0 404.873 3.361 20 0 HGADRO CC(=O)N1[C@@H]2CC[N@H+](C(C)(C)c3ccnc(Cl)c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164970770 722081342 /nfs/dbraw/zinc/08/13/42/722081342.db2.gz RLUQSBMMLFKMLP-YTQUADARSA-N 1 0 401.942 3.178 20 0 HGADRO CC(C)(C)OC(=O)c1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164986633 722104133 /nfs/dbraw/zinc/10/41/33/722104133.db2.gz ZQRFUTZOTRQEHF-RTWAWAEBSA-N 1 0 424.545 3.159 20 0 HGADRO FC(F)(Oc1cccnc1Cl)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164986652 722107145 /nfs/dbraw/zinc/10/71/45/722107145.db2.gz ZYSVZHBNYWUGSX-WMZOPIPTSA-N 1 0 424.879 3.282 20 0 HGADRO Clc1ccc2cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncc2n1 ZINC001164979162 722122017 /nfs/dbraw/zinc/12/20/17/722122017.db2.gz PJXQEVRHFQIUAQ-AZUAARDMSA-N 1 0 409.921 3.406 20 0 HGADRO Clc1ccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncc2c1 ZINC001164978160 722122846 /nfs/dbraw/zinc/12/28/46/722122846.db2.gz NQRBQGKZUNNZGO-LAUBAEHRSA-N 1 0 409.921 3.406 20 0 HGADRO Cc1nc(C2CC2)nc(Cl)c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973140 722144503 /nfs/dbraw/zinc/14/45/03/722144503.db2.gz BAPRDOZEDRUVFW-RTBURBONSA-N 1 0 413.953 3.438 20 0 HGADRO Cc1nc(C2CC2)nc(Cl)c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973133 722144660 /nfs/dbraw/zinc/14/46/60/722144660.db2.gz BAPRDOZEDRUVFW-OALUTQOASA-N 1 0 413.953 3.438 20 0 HGADRO CSc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(SC)n1 ZINC001164974789 722156133 /nfs/dbraw/zinc/15/61/33/722156133.db2.gz QLGJLMONQXNIRI-SJORKVTESA-N 1 0 417.604 3.043 20 0 HGADRO COC(=O)c1c[nH]c2ncnc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c12 ZINC001164997299 722202388 /nfs/dbraw/zinc/20/23/88/722202388.db2.gz YXBOQDUVAXHQPU-JOCHJYFZSA-N 1 0 409.465 3.129 20 0 HGADRO Nc1c(Br)cc(Br)cc1C[NH2+][C@H](CO)Cc1ccccc1 ZINC000438346504 1126093259 /nfs/dbraw/zinc/09/32/59/1126093259.db2.gz CUJQBHPIJFKWPU-AWEZNQCLSA-N 1 0 414.141 3.487 20 0 HGADRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000523842213 1126095802 /nfs/dbraw/zinc/09/58/02/1126095802.db2.gz NEBBZLCKEZENGB-HNNXBMFYSA-N 1 0 417.303 3.395 20 0 HGADRO CC(C)(C)OC(=O)N1CC(c2cc(C[NH2+][C@@](C)(CO)Cc3ccc(F)cc3)on2)C1 ZINC001183144955 1126153091 /nfs/dbraw/zinc/15/30/91/1126153091.db2.gz DMMGCMKAFPZQHW-JOCHJYFZSA-N 1 0 419.497 3.231 20 0 HGADRO COC(=O)c1ccc(C[NH2+][C@](C)(CO)Cc2ccc(OC)c(OC)c2)c2ncccc12 ZINC001308116288 1126163181 /nfs/dbraw/zinc/16/31/81/1126163181.db2.gz BZGDITZFSZFMQN-DEOSSOPVSA-N 1 0 424.497 3.122 20 0 HGADRO COC(=O)c1ccc(Cl)c(C[NH2+][C@](C)(CO)Cc2ccc(OC)c(OC)c2)c1 ZINC001308118966 1126164067 /nfs/dbraw/zinc/16/40/67/1126164067.db2.gz XCQTYGBPCXXZSB-NRFANRHFSA-N 1 0 407.894 3.227 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cnc(Br)c(C)c2)cc1OC ZINC001473839481 1126199784 /nfs/dbraw/zinc/19/97/84/1126199784.db2.gz BVLMHMIYZAQUSC-LJQANCHMSA-N 1 0 409.324 3.253 20 0 HGADRO COC(=O)c1cc(C[N@@H+]2CCC[C@H](c3nn(-c4ccccc4)cc3C(N)=O)C2)c[nH]1 ZINC000328602558 569416599 /nfs/dbraw/zinc/41/65/99/569416599.db2.gz CBRPZDKLZPJPDH-INIZCTEOSA-N 1 0 407.474 3.250 20 0 HGADRO c1c(-c2ccccc2)c2c(ncnc2N2CCN3CC[NH2+]C[C@@H]3C2)n1-c1ccccc1 ZINC001164402279 718839396 /nfs/dbraw/zinc/83/93/96/718839396.db2.gz FIMYMBHXVRRVSF-OAQYLSRUSA-N 1 0 410.525 3.181 20 0 HGADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCO[C@H]3C[NH2+]CC[C@H]3C2)n1 ZINC001164405565 718864634 /nfs/dbraw/zinc/86/46/34/718864634.db2.gz FELPSQNJQVBYPG-HKUYNNGSSA-N 1 0 423.586 3.235 20 0 HGADRO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164415534 718885713 /nfs/dbraw/zinc/88/57/13/718885713.db2.gz JNZIMCKSZNPQJY-UHFFFAOYSA-N 1 0 423.682 3.277 20 0 HGADRO CCS(=O)(=O)c1cc(C(F)(F)N2CCCC[C@H]2C2CC[NH2+]CC2)cnc1Cl ZINC001164422992 718893748 /nfs/dbraw/zinc/89/37/48/718893748.db2.gz ZOHDEJQVKXUXLA-HNNXBMFYSA-N 1 0 421.941 3.432 20 0 HGADRO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164426290 718919584 /nfs/dbraw/zinc/91/95/84/718919584.db2.gz ZGYMBQVUNYJGKY-IBGZPJMESA-N 1 0 415.912 3.134 20 0 HGADRO COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(c1cc(C[NH+](C)C)ccn1)CC2 ZINC001164429427 718954901 /nfs/dbraw/zinc/95/49/01/718954901.db2.gz PHVAQSRZUWOJGA-JOCHJYFZSA-N 1 0 422.573 3.145 20 0 HGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN([C@@H](F)Oc1ccnc(Cl)c1)C2 ZINC001164616652 719008315 /nfs/dbraw/zinc/00/83/15/719008315.db2.gz LFXOORQKEHBKNJ-CVAIRZPRSA-N 1 0 411.905 3.012 20 0 HGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN([C@H](F)Oc1ccc(Cl)nc1)C2 ZINC001164617443 719008854 /nfs/dbraw/zinc/00/88/54/719008854.db2.gz OESSNZHJWPYTDT-BPAFIMBUSA-N 1 0 411.905 3.012 20 0 HGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)c(-c2ccncc2)c1 ZINC001164618696 719019042 /nfs/dbraw/zinc/01/90/42/719019042.db2.gz SHDNWTZTWNLURY-JQFCIGGWSA-N 1 0 422.863 3.072 20 0 HGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc(Cl)nc1C(F)(F)F ZINC001164620190 719019084 /nfs/dbraw/zinc/01/90/84/719019084.db2.gz YAMZJQUDAKMFRO-MIMYLULJSA-N 1 0 413.774 3.029 20 0 HGADRO CCOC(=O)c1cnc(Cl)nc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164618345 719054478 /nfs/dbraw/zinc/05/44/78/719054478.db2.gz ARROWSZYROQLHK-AEFFLSMTSA-N 1 0 400.910 3.408 20 0 HGADRO NC(=O)c1ccc(C(F)(F)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1Cl ZINC001164626579 719056094 /nfs/dbraw/zinc/05/60/94/719056094.db2.gz SFZDTRFCUXHOAL-WBVHZDCISA-N 1 0 420.891 3.480 20 0 HGADRO CCOC(=O)c1nc2ccn(C)c2c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164632403 719092481 /nfs/dbraw/zinc/09/24/81/719092481.db2.gz ZITVRGGHCKFFAV-QUCCMNQESA-N 1 0 419.529 3.246 20 0 HGADRO [NH3+]C1([C@H]2CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)C[C@@H]2CF)CC1 ZINC001164622742 719117088 /nfs/dbraw/zinc/11/70/88/719117088.db2.gz CIDCOVAXKDHPIS-RDJZCZTQSA-N 1 0 401.917 3.159 20 0 HGADRO c1cc(OCC[NH+]2CCCC2)nc(N2CCO[C@H]3[C@H]2CC[C@@H]3OCC2CCCC2)c1 ZINC001164663651 719343526 /nfs/dbraw/zinc/34/35/26/719343526.db2.gz ZRDSUYANEMKJKA-DPLHUUCSSA-N 1 0 415.578 3.499 20 0 HGADRO CC(C)N(C)Cc1nn(-c2ncnc3c2ccn3Cc2ccccc2)c2c1CC[NH2+]C2 ZINC001164682556 719625248 /nfs/dbraw/zinc/62/52/48/719625248.db2.gz NZHSDBITTWGFME-UHFFFAOYSA-N 1 0 415.545 3.151 20 0 HGADRO CC(C)N(C)Cc1nn(-c2nc(Cl)nc3c2ccn3C(C)C)c2c1CC[NH2+]C2 ZINC001164680562 719636527 /nfs/dbraw/zinc/63/65/27/719636527.db2.gz WCLXIDXJJKJOCE-UHFFFAOYSA-N 1 0 401.946 3.337 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(C(C)(C)C)nc(C(C)(C)C)n1)CC2 ZINC001164690094 719738261 /nfs/dbraw/zinc/73/82/61/719738261.db2.gz SJUBZYWOGKQYSG-UHFFFAOYSA-N 1 0 401.599 3.252 20 0 HGADRO CCOC(=O)c1ccc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)nn1 ZINC001164691790 719805174 /nfs/dbraw/zinc/80/51/74/719805174.db2.gz KBONRDDNAJCEAH-UHFFFAOYSA-N 1 0 401.536 3.053 20 0 HGADRO COC(=O)c1cnc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c(F)c1 ZINC001164691953 719807039 /nfs/dbraw/zinc/80/70/39/719807039.db2.gz BMEISJUAGXXUIJ-UHFFFAOYSA-N 1 0 404.511 3.407 20 0 HGADRO CON(C)C(=O)c1ccnc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c1 ZINC001164693939 719815416 /nfs/dbraw/zinc/81/54/16/719815416.db2.gz ZJDMSCHGNFDOJJ-UHFFFAOYSA-N 1 0 415.563 3.115 20 0 HGADRO CCOC(=O)Cc1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1 ZINC001164696243 719892935 /nfs/dbraw/zinc/89/29/35/719892935.db2.gz DSHHFXALGBPXED-UHFFFAOYSA-N 1 0 415.559 3.120 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3ccc(OC)cc31)C2 ZINC001164806704 720068056 /nfs/dbraw/zinc/06/80/56/720068056.db2.gz CZRAGUULRXMHCF-KSFYIVLOSA-N 1 0 416.953 3.477 20 0 HGADRO COCc1nn(-c2nc(CN3CCCC3)nc3sc4c(c32)CCCC4)c2c1C[NH2+]C2 ZINC001164712302 720079205 /nfs/dbraw/zinc/07/92/05/720079205.db2.gz OMDQBCHCCLHDIH-UHFFFAOYSA-N 1 0 424.574 3.101 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc3ccc(C(=O)OC)cc31)C2 ZINC001164811070 720104691 /nfs/dbraw/zinc/10/46/91/720104691.db2.gz LEJHWRGKKUDIDM-HYBUGGRVSA-N 1 0 409.530 3.206 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)cnc1Cl)CC2 ZINC001164716997 720121545 /nfs/dbraw/zinc/12/15/45/720121545.db2.gz NBWKDXGPOXNWHH-SFHVURJKSA-N 1 0 401.942 3.341 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc(-c3cccc(OC)c3)n1)C2 ZINC001164807057 720143850 /nfs/dbraw/zinc/14/38/50/720143850.db2.gz AXCQWWNPRPRCHH-HYBUGGRVSA-N 1 0 408.546 3.337 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1ncn3C(C)C)C2 ZINC001164813857 720148250 /nfs/dbraw/zinc/14/82/50/720148250.db2.gz RGHDMHFAQPNVAV-IERDGZPVSA-N 1 0 418.973 3.245 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccncc3)nc(C)c1C)C2 ZINC001164816243 720183085 /nfs/dbraw/zinc/18/30/85/720183085.db2.gz KJHHZIMPOWJVLX-XUZZJYLKSA-N 1 0 407.562 3.340 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cncc(OCC3CCCC3)n1)C2 ZINC001164810760 720196369 /nfs/dbraw/zinc/19/63/69/720196369.db2.gz CNKADTDCMYIJLC-NFBKMPQASA-N 1 0 400.567 3.230 20 0 HGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nccc3cc(Cl)ncc31)CCC2 ZINC001164813407 720218715 /nfs/dbraw/zinc/21/87/15/720218715.db2.gz LOWQEQDHRBWYPL-UHFFFAOYSA-N 1 0 412.925 3.090 20 0 HGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nncc3cc(Cl)ccc31)CCC2 ZINC001164812023 720225929 /nfs/dbraw/zinc/22/59/29/720225929.db2.gz COMDEUDDWUMGAE-UHFFFAOYSA-N 1 0 412.925 3.090 20 0 HGADRO CSc1cc(Cl)cnc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164813487 720234149 /nfs/dbraw/zinc/23/41/49/720234149.db2.gz OVZBYQJSLWYRRE-UHFFFAOYSA-N 1 0 407.971 3.264 20 0 HGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3ccccc3F)nn1)CCC2 ZINC001164812105 720240706 /nfs/dbraw/zinc/24/07/06/720240706.db2.gz BADOZURNJUJJQU-UHFFFAOYSA-N 1 0 422.508 3.090 20 0 HGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3cccc(F)c3)nn1)CCC2 ZINC001164812704 720240784 /nfs/dbraw/zinc/24/07/84/720240784.db2.gz HQCVITDONMPXDR-UHFFFAOYSA-N 1 0 422.508 3.090 20 0 HGADRO CCc1nc2sccc2c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164818342 720242566 /nfs/dbraw/zinc/24/25/66/720242566.db2.gz YSJWODSPDARJLG-UHFFFAOYSA-N 1 0 412.563 3.061 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cnc3cccc(Cl)c3n2)CC1 ZINC001164822599 720304709 /nfs/dbraw/zinc/30/47/09/720304709.db2.gz NLJOXALTVGJTBL-MOPGFXCFSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nccc3cc(Cl)ncc32)CC1 ZINC001164821423 720309483 /nfs/dbraw/zinc/30/94/83/720309483.db2.gz KOWYYVFSEHCBFB-MOPGFXCFSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cccc(OC(C)(C)C)n2)CC1 ZINC001164830242 720323812 /nfs/dbraw/zinc/32/38/12/720323812.db2.gz PGEAZULPZFSCFU-OALUTQOASA-N 1 0 400.567 3.170 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(-c3cccs3)nn2)CC1 ZINC001164833885 720326755 /nfs/dbraw/zinc/32/67/55/720326755.db2.gz XVBBUCVMDCRCGS-RBUKOAKNSA-N 1 0 411.575 3.117 20 0 HGADRO COc1ccc2c(C)cc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2c1 ZINC001164828452 720326943 /nfs/dbraw/zinc/32/69/43/720326943.db2.gz JNCHTHOHWLAHDS-XZOQPEGZSA-N 1 0 422.573 3.463 20 0 HGADRO CCOC(=O)c1sc2ncnc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164728395 720329834 /nfs/dbraw/zinc/32/98/34/720329834.db2.gz VLLHWSNPOQLXGW-SJORKVTESA-N 1 0 423.542 3.425 20 0 HGADRO COc1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc2ccccc21 ZINC001164833007 720330490 /nfs/dbraw/zinc/33/04/90/720330490.db2.gz VKSQHCLDNOTZQZ-RTWAWAEBSA-N 1 0 408.546 3.155 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(COC3CCC3)cn2)CC1 ZINC001164827861 720349299 /nfs/dbraw/zinc/34/92/99/720349299.db2.gz MXRAFDSTTBGGKC-YADHBBJMSA-N 1 0 412.578 3.062 20 0 HGADRO COc1cc2nc(C)nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2cc1OC ZINC001164723745 720386949 /nfs/dbraw/zinc/38/69/49/720386949.db2.gz HDDFPGVWCFZPLG-UXHICEINSA-N 1 0 405.502 3.204 20 0 HGADRO c1ccc2nc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c(N3CCCC3)nc2c1 ZINC001164726274 720429924 /nfs/dbraw/zinc/42/99/24/720429924.db2.gz BFVUUKOUTPOMJL-VXKWHMMOSA-N 1 0 400.530 3.478 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(N4CCCCC4)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837846 720506757 /nfs/dbraw/zinc/50/67/57/720506757.db2.gz PVIKICNYKMPELW-QHAWAJNXSA-N 1 0 409.582 3.041 20 0 HGADRO COC(=O)c1cnc(Cl)cc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164841237 720508196 /nfs/dbraw/zinc/50/81/96/720508196.db2.gz XYKDAGJROIFUHO-XYJFISCASA-N 1 0 417.941 3.096 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3ccc(Cl)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835278 720519367 /nfs/dbraw/zinc/51/93/67/720519367.db2.gz JNBHGXSXFYJDNV-OWCLPIDISA-N 1 0 410.900 3.249 20 0 HGADRO COc1ccc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1 ZINC001164837231 720520865 /nfs/dbraw/zinc/52/08/65/720520865.db2.gz OPIDRXWTELBMSF-NJNPRVFISA-N 1 0 406.534 3.213 20 0 HGADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)Oc2ccc3c(Cl)ncnc3c2)C1 ZINC001164735195 720521163 /nfs/dbraw/zinc/52/11/63/720521163.db2.gz VZNSEVOYXUJQQV-ZDUSSCGKSA-N 1 0 422.867 3.102 20 0 HGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN([C@@H](F)Oc3ccnc(Cl)c3)CC[C@@H]21 ZINC001164835741 720523955 /nfs/dbraw/zinc/52/39/55/720523955.db2.gz KRIYHGNWVFWDDO-NDUPCHFUSA-N 1 0 407.921 3.437 20 0 HGADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2cc(-c3ccco3)nnc2Cl)C1 ZINC001164734575 720525737 /nfs/dbraw/zinc/52/57/37/720525737.db2.gz QTISXFHQYKYUEZ-CYBMUJFWSA-N 1 0 422.867 3.329 20 0 HGADRO COC(=O)c1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1Cl ZINC001164835893 720539985 /nfs/dbraw/zinc/53/99/85/720539985.db2.gz IXVBSBPNTZLVQD-SOLBZPMBSA-N 1 0 417.941 3.096 20 0 HGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc4ncccc4nc3Cl)CC[C@@H]21 ZINC001164843069 720542201 /nfs/dbraw/zinc/54/22/01/720542201.db2.gz ZWDCCNHNKQQDFU-RYRKJORJSA-N 1 0 411.941 3.253 20 0 HGADRO COc1nc(Cl)nc(C)c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164841469 720544765 /nfs/dbraw/zinc/54/47/65/720544765.db2.gz WAMKGHAHTPPYQX-YESZJQIVSA-N 1 0 404.946 3.021 20 0 HGADRO CSc1cnc(Cl)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164833576 720551068 /nfs/dbraw/zinc/55/10/68/720551068.db2.gz AIKRECWEVJRADS-BZUAXINKSA-N 1 0 406.987 3.426 20 0 HGADRO CSc1cnc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164833575 720551298 /nfs/dbraw/zinc/55/12/98/720551298.db2.gz AIKRECWEVJRADS-ARFHVFGLSA-N 1 0 406.987 3.426 20 0 HGADRO CCOc1c(Cl)ncnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164840189 720554513 /nfs/dbraw/zinc/55/45/13/720554513.db2.gz SBQKXMAREOWGRX-IXDOHACOSA-N 1 0 404.946 3.103 20 0 HGADRO Fc1cccc2nc(Cl)nc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c12 ZINC001164734302 720558660 /nfs/dbraw/zinc/55/86/60/720558660.db2.gz YSTYLHJUPDGTHA-UHFFFAOYSA-N 1 0 400.889 3.277 20 0 HGADRO CCOC(=O)c1c(C)ccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164839828 720577300 /nfs/dbraw/zinc/57/73/00/720577300.db2.gz OVUQBVVYQPAMRT-VAMGGRTRSA-N 1 0 411.550 3.141 20 0 HGADRO Cc1noc(-c2cccnc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164837280 720606622 /nfs/dbraw/zinc/60/66/22/720606622.db2.gz HWOHTTQLFNSUOX-NLWGTHIKSA-N 1 0 407.522 3.014 20 0 HGADRO Clc1ccc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164745076 720608154 /nfs/dbraw/zinc/60/81/54/720608154.db2.gz UHGKALSVHGOEKF-UONOGXRCSA-N 1 0 417.300 3.069 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(-c4ccccn4)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841668 720622549 /nfs/dbraw/zinc/62/25/49/720622549.db2.gz UAZWXTWACXEGAK-XQBPLPMBSA-N 1 0 403.534 3.113 20 0 HGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cncc(N4CCCCCC4)n3)CC[C@@H]21 ZINC001164839615 720625675 /nfs/dbraw/zinc/62/56/75/720625675.db2.gz NYBYWXPBASPHJJ-FSSWDIPSSA-N 1 0 423.609 3.431 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccnc(-c4nccs4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164843203 720646871 /nfs/dbraw/zinc/64/68/71/720646871.db2.gz VDZAAXFRFAMZDO-OKZBNKHCSA-N 1 0 409.563 3.174 20 0 HGADRO CC(C)(C)c1cc2ncnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2s1 ZINC001164743213 720658489 /nfs/dbraw/zinc/65/84/89/720658489.db2.gz XBRONWLHIBIQOW-LSDHHAIUSA-N 1 0 410.547 3.121 20 0 HGADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc(Cl)n1)CC2 ZINC001164844455 720677416 /nfs/dbraw/zinc/67/74/16/720677416.db2.gz SDHBJNNQQRDUDB-HNNXBMFYSA-N 1 0 408.333 3.438 20 0 HGADRO Cc1csc2c1nc(Cl)cc2N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737874 720734593 /nfs/dbraw/zinc/73/45/93/720734593.db2.gz DDLBAHAXKDIQAH-KGLIPLIRSA-N 1 0 401.923 3.390 20 0 HGADRO FC(F)(c1c2c(nnc1Cl)CCC2)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164842575 720740578 /nfs/dbraw/zinc/74/05/78/720740578.db2.gz FYAHEPRDTKWCCO-UHFFFAOYSA-N 1 0 422.911 3.413 20 0 HGADRO c1ccc(COC[C@@H]2CC[C@H]3[C@H](CCN3c3ncccc3C[NH+]3CCCC3)O2)nc1 ZINC001164843774 720779930 /nfs/dbraw/zinc/77/99/30/720779930.db2.gz AOXPWPKXCNVCRX-VABKMULXSA-N 1 0 408.546 3.416 20 0 HGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)C3CCC3)[C@H]3COC[C@@H]32)nc1 ZINC001164849748 720804389 /nfs/dbraw/zinc/80/43/89/720804389.db2.gz SSTGNCBMFMUOFY-MBDNFAEBSA-N 1 0 412.578 3.139 20 0 HGADRO FC(F)(c1ccc(Cl)nc1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743350 720807929 /nfs/dbraw/zinc/80/79/29/720807929.db2.gz FHWNOGKGTNNKPC-BPQIPLTHSA-N 1 0 422.911 3.251 20 0 HGADRO FC(F)(c1cccc(Cl)n1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745423 720810441 /nfs/dbraw/zinc/81/04/41/720810441.db2.gz KHRDDZWVJNFEQV-IXDOHACOSA-N 1 0 422.911 3.251 20 0 HGADRO 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c1cc2ncc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2[nH]1 ZINC001164754877 720869518 /nfs/dbraw/zinc/86/95/18/720869518.db2.gz UILQXEOIOCGGIR-HYBUGGRVSA-N 1 0 418.545 3.108 20 0 HGADRO COCC[N@@H+]1CCO[C@@H]2CN(c3c(C)nc(-c4ccccc4)nc3Cl)CC[C@H]2C1 ZINC001164859918 720879098 /nfs/dbraw/zinc/87/90/98/720879098.db2.gz NFASTLMSIBSHLU-RBUKOAKNSA-N 1 0 416.953 3.279 20 0 HGADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(-c4ccc(Cl)nn4)ccc3F)CC[C@H]2C1 ZINC001164859954 720881113 /nfs/dbraw/zinc/88/11/13/720881113.db2.gz NKKCNBDPBXPBAU-OXJNMPFZSA-N 1 0 420.916 3.110 20 0 HGADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4cccc5ccccc54)nn3)CC[C@@H]2C1 ZINC001164853903 720882191 /nfs/dbraw/zinc/88/21/91/720882191.db2.gz DSOMWAUEEZCXPL-HYBUGGRVSA-N 1 0 418.541 3.470 20 0 HGADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nnc(Cl)c4ccc(Cl)cc43)CC[C@@H]2C1 ZINC001164863768 720884055 /nfs/dbraw/zinc/88/40/55/720884055.db2.gz UDZKADSRGOVHDJ-CXAGYDPISA-N 1 0 411.333 3.110 20 0 HGADRO 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c1ccc(Oc2ccnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164868816 721066423 /nfs/dbraw/zinc/06/64/23/721066423.db2.gz QRKSRRTVAUPFAW-TZIWHRDSSA-N 1 0 403.486 3.144 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4nc(Cl)cc(Cl)n4)C[C@@H]3C2)cn1 ZINC001164772559 721082952 /nfs/dbraw/zinc/08/29/52/721082952.db2.gz VCNLQXKXBDQCTE-OLZOCXBDSA-N 1 0 417.291 3.020 20 0 HGADRO Cc1ccc2c(c1)nc(Cl)nc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867742 721091779 /nfs/dbraw/zinc/09/17/79/721091779.db2.gz ZUITZFORKIZSNK-ZWKOTPCHSA-N 1 0 409.921 3.466 20 0 HGADRO COc1cc2ccnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2cc1OC ZINC001164866629 721096399 /nfs/dbraw/zinc/09/63/99/721096399.db2.gz UHOMIZXHWWWKDJ-WOJBJXKFSA-N 1 0 420.513 3.127 20 0 HGADRO Cc1cc(Cl)nc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164865462 721102426 /nfs/dbraw/zinc/10/24/26/721102426.db2.gz LNCIFLSDHBVEQT-DLBZAZTESA-N 1 0 408.880 3.463 20 0 HGADRO 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COc1ccccc1-c1ccnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164881080 721153821 /nfs/dbraw/zinc/15/38/21/721153821.db2.gz YXFYNYPYFZPIMK-VQTJNVASSA-N 1 0 417.513 3.027 20 0 HGADRO COc1ccc(-c2cc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)ncn2)cc1 ZINC001164877018 721154587 /nfs/dbraw/zinc/15/45/87/721154587.db2.gz NWKJAFIURWEICN-IRLDBZIGSA-N 1 0 417.513 3.027 20 0 HGADRO COc1ccc(-c2cc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)ncn2)cc1 ZINC001164877020 721154788 /nfs/dbraw/zinc/15/47/88/721154788.db2.gz NWKJAFIURWEICN-UNMCSNQZSA-N 1 0 417.513 3.027 20 0 HGADRO Fc1ccc(Oc2ccnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164871074 721161080 /nfs/dbraw/zinc/16/10/80/721161080.db2.gz DHVWITMWQXVJGS-FPOVZHCZSA-N 1 0 421.476 3.283 20 0 HGADRO Cc1nc2c3ccccc3oc2c(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164771378 721161617 /nfs/dbraw/zinc/16/16/17/721161617.db2.gz SLQNHJRHBIMIBU-MSOLQXFVSA-N 1 0 402.502 3.376 20 0 HGADRO Cc1nc(C)c(-c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)s1 ZINC001164873537 721173344 /nfs/dbraw/zinc/17/33/44/721173344.db2.gz IOYDERMBNDBGML-MOPGFXCFSA-N 1 0 422.558 3.092 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nccc(Oc5cccc(F)c5)n4)C[C@@H]3C2)cn1 ZINC001164762626 721179432 /nfs/dbraw/zinc/17/94/32/721179432.db2.gz DBEKQAOSKQAYJM-ROUUACIJSA-N 1 0 408.481 3.100 20 0 HGADRO c1cc2c(nc(C3CCC3)nc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)[nH]1 ZINC001164866777 721195427 /nfs/dbraw/zinc/19/54/27/721195427.db2.gz CWLAKOYSROGSCH-MOPGFXCFSA-N 1 0 404.518 3.100 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(-c5cccc(Cl)c5)ncn4)C[C@@H]3C2)cn1 ZINC001164773854 721210330 /nfs/dbraw/zinc/21/03/30/721210330.db2.gz XMCHNJGYTSENCQ-MOPGFXCFSA-N 1 0 408.937 3.489 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cc(Cl)nc5c4CCC5)C[C@H]3C2)cn1 ZINC001164765487 721248323 /nfs/dbraw/zinc/24/83/23/721248323.db2.gz RLRPGHYSMIBBEO-JKSUJKDBSA-N 1 0 421.923 3.460 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cc(Cl)nc5c4CCC5)C[C@@H]3C2)cn1 ZINC001164765485 721249856 /nfs/dbraw/zinc/24/98/56/721249856.db2.gz RLRPGHYSMIBBEO-HOTGVXAUSA-N 1 0 421.923 3.460 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@@]3(C(=O)NCC3CC3)C2)nc1 ZINC001164882878 721345468 /nfs/dbraw/zinc/34/54/68/721345468.db2.gz IGZNSKPHKUSBLF-ZFGGDYGUSA-N 1 0 412.578 3.140 20 0 HGADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C)nc(C4CC4)n3)C2)C1 ZINC001164786050 721369468 /nfs/dbraw/zinc/36/94/68/721369468.db2.gz VDGHMOTZVOCOBM-QHCPKHFHSA-N 1 0 411.550 3.386 20 0 HGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cnc5c(Cl)cccc5n4)C3)O2)CC1 ZINC001164886690 721402056 /nfs/dbraw/zinc/40/20/56/721402056.db2.gz KSQQEAONQICCAO-VGSWGCGISA-N 1 0 415.969 3.049 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc5nccc(Cl)c5cn4)C3)O2)CC1 ZINC001164884724 721407498 /nfs/dbraw/zinc/40/74/98/721407498.db2.gz FKPSHCKCDXSNSF-HTAPYJJXSA-N 1 0 415.969 3.049 20 0 HGADRO 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ZINC001164783528 721459055 /nfs/dbraw/zinc/45/90/55/721459055.db2.gz DICGYTQEURGCGC-LJQANCHMSA-N 1 0 423.985 3.478 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C3CC3)cn1)CC2 ZINC001164783561 721460505 /nfs/dbraw/zinc/46/05/05/721460505.db2.gz DLOLHNYNFASEDR-OAQYLSRUSA-N 1 0 400.567 3.088 20 0 HGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccnc(C(C)C)n1)CC2 ZINC001164786721 721460969 /nfs/dbraw/zinc/46/09/69/721460969.db2.gz PGVZFNZSPMXGSZ-FQEVSTJZSA-N 1 0 402.583 3.334 20 0 HGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)ccc1OC)CC2 ZINC001164786460 721461536 /nfs/dbraw/zinc/46/15/36/721461536.db2.gz OEXYIGXTHNCJFF-SFHVURJKSA-N 1 0 423.985 3.478 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C)cc1OC)CC2 ZINC001164782832 721464083 /nfs/dbraw/zinc/46/40/83/721464083.db2.gz CSWUFNCYGGDTSD-HXUWFJFHSA-N 1 0 403.567 3.133 20 0 HGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(C(F)F)n1)CC2 ZINC001164789966 721464467 /nfs/dbraw/zinc/46/44/67/721464467.db2.gz YTRXOOPGFOSUSM-KRWDZBQOSA-N 1 0 410.509 3.148 20 0 HGADRO CCCc1ccc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nn1 ZINC001164791721 721467343 /nfs/dbraw/zinc/46/73/43/721467343.db2.gz XZCJKEOHXKSEKX-OAQYLSRUSA-N 1 0 402.583 3.163 20 0 HGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)nc(C3CC3)n1)CC2 ZINC001164791722 721468770 /nfs/dbraw/zinc/46/87/70/721468770.db2.gz XZTYEZXCLCKKKC-NRFANRHFSA-N 1 0 414.594 3.396 20 0 HGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)nc(C)c1C)CC2 ZINC001164790128 721469471 /nfs/dbraw/zinc/46/94/71/721469471.db2.gz RHCOVAJLESXXKP-NRFANRHFSA-N 1 0 402.583 3.136 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C(F)F)cn1)CC2 ZINC001164789862 721470785 /nfs/dbraw/zinc/47/07/85/721470785.db2.gz OQOBDCQAHAERNQ-GOSISDBHSA-N 1 0 410.509 3.148 20 0 HGADRO CNC(=O)N[C@@H]1CC2(CCN(c3cc(C[NH+](C)C)ccn3)CC2)c2ccc(C)cc21 ZINC001164898754 721493070 /nfs/dbraw/zinc/49/30/70/721493070.db2.gz IELBWKCVJPEMJE-OAQYLSRUSA-N 1 0 407.562 3.364 20 0 HGADRO COCCn1ccc2c1ncnc2N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792007 721496460 /nfs/dbraw/zinc/49/64/60/721496460.db2.gz JHXNXCNPPOCATQ-UHFFFAOYSA-N 1 0 420.561 3.354 20 0 HGADRO Cc1cc(Cl)nc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164900057 721512777 /nfs/dbraw/zinc/51/27/77/721512777.db2.gz NQCNVSLLAOMYIB-HOCLYGCPSA-N 1 0 412.843 3.464 20 0 HGADRO O=C(c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1)N1CCCCC1 ZINC001164900668 721513330 /nfs/dbraw/zinc/51/33/30/721513330.db2.gz SRCOQDTZRRCSOX-CTNGQTDRSA-N 1 0 424.520 3.189 20 0 HGADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)nc5c4SCC5)CC[N@@H+]3C2)c1 ZINC001164903947 721526855 /nfs/dbraw/zinc/52/68/55/721526855.db2.gz DLAYVFCHLRUCMD-HIFRSBDPSA-N 1 0 406.914 3.259 20 0 HGADRO COc1cc2ncc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2cc1OC ZINC001164905200 721531256 /nfs/dbraw/zinc/53/12/56/721531256.db2.gz GNPSHJCHAWJTJF-AEFFLSMTSA-N 1 0 424.476 3.128 20 0 HGADRO COC(=O)c1nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1Cl ZINC001164906361 721532393 /nfs/dbraw/zinc/53/23/93/721532393.db2.gz KDDJYQZDBFGJLH-GDBMZVCRSA-N 1 0 405.857 3.003 20 0 HGADRO Nc1cc(Cl)nc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164906389 721539824 /nfs/dbraw/zinc/53/98/24/721539824.db2.gz KJKXONDGZZDMOP-GDBMZVCRSA-N 1 0 412.843 3.343 20 0 HGADRO Cc1nc2ccc(F)cc2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164806589 721541363 /nfs/dbraw/zinc/54/13/63/721541363.db2.gz OWHZGGUAIQPLPJ-BHIFYINESA-N 1 0 407.493 3.341 20 0 HGADRO COc1nc(-c2ccccc2)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164902668 721541766 /nfs/dbraw/zinc/54/17/66/721541766.db2.gz AWMJRDQWTQMBSY-AZUAARDMSA-N 1 0 421.476 3.028 20 0 HGADRO Cc1nc2ccc(F)cc2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164806592 721541786 /nfs/dbraw/zinc/54/17/86/721541786.db2.gz OWHZGGUAIQPLPJ-FSSWDIPSSA-N 1 0 407.493 3.341 20 0 HGADRO COc1nc(-c2ccccc2)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164902671 721541834 /nfs/dbraw/zinc/54/18/34/721541834.db2.gz AWMJRDQWTQMBSY-UYAOXDASSA-N 1 0 421.476 3.028 20 0 HGADRO CCOC(=O)/C=C/c1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164907328 721543604 /nfs/dbraw/zinc/54/36/04/721543604.db2.gz MYCYVWHPCNUXGM-PWIIPBGMSA-N 1 0 411.477 3.139 20 0 HGADRO COc1cc2c(cc1F)ncnc2N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903003 721543723 /nfs/dbraw/zinc/54/37/23/721543723.db2.gz BREFVRDQUUDLGG-DOTOQJQBSA-N 1 0 412.440 3.259 20 0 HGADRO COC(=O)/C=C\c1cc(C)cnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164906908 721548015 /nfs/dbraw/zinc/54/80/15/721548015.db2.gz LTMREJWRDKQNLU-ABDUDLSGSA-N 1 0 411.477 3.057 20 0 HGADRO Cc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(-c2ccccn2)n1 ZINC001164906475 721552565 /nfs/dbraw/zinc/55/25/65/721552565.db2.gz JKGMXHZCICPKSG-UYAOXDASSA-N 1 0 405.477 3.328 20 0 HGADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4cncc(N5CCCCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164903540 721560177 /nfs/dbraw/zinc/56/01/77/721560177.db2.gz CCYWJVDAFZZQBQ-CTNGQTDRSA-N 1 0 411.525 3.338 20 0 HGADRO CCCN(CCC)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ncn1 ZINC001164802919 721566911 /nfs/dbraw/zinc/56/69/11/721566911.db2.gz ISLDEUIWUIXTSY-ZFGGDYGUSA-N 1 0 424.593 3.366 20 0 HGADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)nc1 ZINC001164903412 721580704 /nfs/dbraw/zinc/58/07/04/721580704.db2.gz NENITASZZFGSGW-XUZZJYLKSA-N 1 0 422.577 3.294 20 0 HGADRO Cc1nc(-c2ccncc2)cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164810214 721583023 /nfs/dbraw/zinc/58/30/23/721583023.db2.gz VDTUXYSMILZREX-WPFOTENUSA-N 1 0 416.529 3.110 20 0 HGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(Cc3ccccc3)n2)[C@@H]2CCCO[C@H]12 ZINC001164799269 721583515 /nfs/dbraw/zinc/58/35/15/721583515.db2.gz AFYPBURHOFHZEQ-RQTOMXEWSA-N 1 0 415.541 3.331 20 0 HGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(Cc3ccccc3)n2)[C@H]2CCCO[C@@H]12 ZINC001164799270 721583593 /nfs/dbraw/zinc/58/35/93/721583593.db2.gz AFYPBURHOFHZEQ-SGIRGMQISA-N 1 0 415.541 3.331 20 0 HGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C3CCC3)nc3[nH]ccc32)[C@@H]2CCCO[C@@H]12 ZINC001164802530 721591629 /nfs/dbraw/zinc/59/16/29/721591629.db2.gz GGVYOQJWIPSKAY-NJDAHSKKSA-N 1 0 418.545 3.489 20 0 HGADRO FC1(F)CCN(c2nc(Cl)nc3c2COC3)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164905544 721695376 /nfs/dbraw/zinc/69/53/76/721695376.db2.gz JUTMXFGTYCCQAA-IBGZPJMESA-N 1 0 421.879 3.293 20 0 HGADRO COCc1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(C)n1 ZINC001164906983 721699978 /nfs/dbraw/zinc/69/99/78/721699978.db2.gz QBEDLBBUQTWCMC-HXUWFJFHSA-N 1 0 403.477 3.064 20 0 HGADRO COc1cc(OC)nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164904380 721703810 /nfs/dbraw/zinc/70/38/10/721703810.db2.gz CYQJCZCDGDYFAY-FQEVSTJZSA-N 1 0 404.461 3.232 20 0 HGADRO COC(=O)c1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncc1C ZINC001164905480 721710633 /nfs/dbraw/zinc/71/06/33/721710633.db2.gz GTQWSTYBVHLELA-NRFANRHFSA-N 1 0 416.472 3.309 20 0 HGADRO CC(C)Oc1nccnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164912277 721731518 /nfs/dbraw/zinc/73/15/18/721731518.db2.gz NPUHIVPTUQYHII-FQEVSTJZSA-N 1 0 403.477 3.397 20 0 HGADRO COc1cnc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c2cc(Cl)ccc12 ZINC001165010637 721737699 /nfs/dbraw/zinc/73/76/99/721737699.db2.gz IDKKZMSSORRFMM-UHFFFAOYSA-N 1 0 416.953 3.420 20 0 HGADRO COc1cnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1NC(C)C ZINC001165024456 721797946 /nfs/dbraw/zinc/79/79/46/721797946.db2.gz LBOFVLSYHXEEIF-YSIASYRMSA-N 1 0 410.566 3.437 20 0 HGADRO CCOC(=O)Cc1cccnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165017756 721804238 /nfs/dbraw/zinc/80/42/38/721804238.db2.gz AJXLKUSGHGNSEI-ILWGZMRPSA-N 1 0 408.546 3.319 20 0 HGADRO CCOC(=O)c1cnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1C ZINC001165025475 721810323 /nfs/dbraw/zinc/81/03/23/721810323.db2.gz MWVDNYQTEMUXPH-YYWHXJBOSA-N 1 0 409.534 3.094 20 0 HGADRO CCOC(=O)c1cnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1C ZINC001165025469 721810382 /nfs/dbraw/zinc/81/03/82/721810382.db2.gz MWVDNYQTEMUXPH-DZFGPLHGSA-N 1 0 409.534 3.094 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc4ncnc(Cl)c4n3)C[C@H]21 ZINC001165025509 721818666 /nfs/dbraw/zinc/81/86/66/721818666.db2.gz NCKBCHPIQQJJFL-QGPMSJSTSA-N 1 0 409.925 3.205 20 0 HGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc3ccc(=O)n(C)c3n2)CC1 ZINC001165021189 721841209 /nfs/dbraw/zinc/84/12/09/721841209.db2.gz GWKZCFVINQCQEF-UHFFFAOYSA-N 1 0 422.529 3.052 20 0 HGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nccc(C)c2NC(C)=O)CC1 ZINC001165022046 721843158 /nfs/dbraw/zinc/84/31/58/721843158.db2.gz NWSYYHLNBUTZJK-UHFFFAOYSA-N 1 0 412.534 3.466 20 0 HGADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1nc2ccsc2c(Cl)n1 ZINC001164931804 721854603 /nfs/dbraw/zinc/85/46/03/721854603.db2.gz WFRDSIXHXANPRH-OLZOCXBDSA-N 1 0 401.914 3.104 20 0 HGADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccc(C(=O)Nc2cccc(Cl)c2)cn1 ZINC001164933344 721879978 /nfs/dbraw/zinc/87/99/78/721879978.db2.gz MICBUYXZXVUQEF-VQTJNVASSA-N 1 0 413.953 3.202 20 0 HGADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1cnc(Cl)nc1Oc1ccccc1F ZINC001164935560 721888172 /nfs/dbraw/zinc/88/81/72/721888172.db2.gz XSPPVCCOVIMWIU-HOTGVXAUSA-N 1 0 405.905 3.276 20 0 HGADRO Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)c1 ZINC001164929586 721888201 /nfs/dbraw/zinc/88/82/01/721888201.db2.gz BXCVIGRQAAGXFF-MSOLQXFVSA-N 1 0 401.942 3.445 20 0 HGADRO Clc1nnc(Cl)c(N2CCCC[C@H]2CC[NH+]2CCCC2)c1N1CCOCC1 ZINC001165050276 721979405 /nfs/dbraw/zinc/97/94/05/721979405.db2.gz SHVCVNHCNLLLGA-HNNXBMFYSA-N 1 0 414.381 3.465 20 0 HGADRO [O-][n+]1ccc(C(F)(F)N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc1Cl ZINC001164961308 722025041 /nfs/dbraw/zinc/02/50/41/722025041.db2.gz MSSBXVLLWFWHJM-UHFFFAOYSA-N 1 0 408.880 3.406 20 0 HGADRO Clc1nc2c(c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n1)CCC2 ZINC001164958014 722053379 /nfs/dbraw/zinc/05/33/79/722053379.db2.gz AAWGRUTVQZOCPV-UHFFFAOYSA-N 1 0 413.953 3.133 20 0 HGADRO Clc1nnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c2ncccc12 ZINC001164962224 722056449 /nfs/dbraw/zinc/05/64/49/722056449.db2.gz BQDUYXZTURRGQL-UHFFFAOYSA-N 1 0 424.936 3.192 20 0 HGADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCO[C@@]3(CCCN(C(C)=O)C3)C2)nc1 ZINC001164969097 722084167 /nfs/dbraw/zinc/08/41/67/722084167.db2.gz JVEZIXNXELHDBM-JTHBVZDNSA-N 1 0 400.567 3.236 20 0 HGADRO FC(F)(c1ccc(Cl)nc1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981352 722098641 /nfs/dbraw/zinc/09/86/41/722098641.db2.gz LDPSFBSEVXSMBQ-WMZOPIPTSA-N 1 0 408.880 3.402 20 0 HGADRO Clc1ccnc2cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncc12 ZINC001164971854 722113961 /nfs/dbraw/zinc/11/39/61/722113961.db2.gz CRRZQASFVTUBEB-DYESRHJHSA-N 1 0 409.921 3.406 20 0 HGADRO CCOc1cc(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164981531 722114734 /nfs/dbraw/zinc/11/47/34/722114734.db2.gz ULVPKFUMFIWVRM-MJGOQNOKSA-N 1 0 402.926 3.256 20 0 HGADRO Clc1ccnc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ccc12 ZINC001164977296 722125734 /nfs/dbraw/zinc/12/57/34/722125734.db2.gz MMTIRQRAWBTOFV-XLIONFOSSA-N 1 0 409.921 3.406 20 0 HGADRO CCCN(CCC)c1cncc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983834 722131235 /nfs/dbraw/zinc/13/12/35/722131235.db2.gz VNEPVHRWHPIXTC-YADHBBJMSA-N 1 0 424.593 3.225 20 0 HGADRO COc1ccc2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164974125 722134047 /nfs/dbraw/zinc/13/40/47/722134047.db2.gz CJLGOQXLUZOFCS-NFBKMPQASA-N 1 0 404.514 3.366 20 0 HGADRO CC(C)n1ccc2c1ncnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978884 722136597 /nfs/dbraw/zinc/13/65/97/722136597.db2.gz KHWUULDLYNDEBK-PZJWPPBQSA-N 1 0 406.534 3.135 20 0 HGADRO Clc1nc2c(nc1N1CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C1)CCCC2 ZINC001164975279 722157115 /nfs/dbraw/zinc/15/71/15/722157115.db2.gz QUKISTNIOSXOIB-XLIONFOSSA-N 1 0 413.953 3.131 20 0 HGADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2cc(N4CCSCC4)ncn2)C3)c1 ZINC001164997848 722210560 /nfs/dbraw/zinc/21/05/60/722210560.db2.gz SLCSSIDFCUSMER-QFIPXVFZSA-N 1 0 413.566 3.414 20 0 HGADRO CCc1nc(Cl)c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c(Cl)n1 ZINC001165004426 722256996 /nfs/dbraw/zinc/25/69/96/722256996.db2.gz RSUIXFYUZDWLRS-UHFFFAOYSA-N 1 0 413.353 3.031 20 0 HGADRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2cn(-c3ccccc3Br)nn2)c1 ZINC000567798270 1126097964 /nfs/dbraw/zinc/09/79/64/1126097964.db2.gz GEGBZNQELYLCRS-INIZCTEOSA-N 1 0 401.308 3.031 20 0 HGADRO Cc1ccccc1-n1cc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)nn1 ZINC001179277263 1126151661 /nfs/dbraw/zinc/15/16/61/1126151661.db2.gz CRYYUPNDQULFSI-FQEVSTJZSA-N 1 0 415.335 3.422 20 0 HGADRO CC(C)(C)OC(=O)N1CC(c2cc(C[NH2+][C@](C)(CO)Cc3ccc(F)cc3)on2)C1 ZINC001183144956 1126153015 /nfs/dbraw/zinc/15/30/15/1126153015.db2.gz DMMGCMKAFPZQHW-QFIPXVFZSA-N 1 0 419.497 3.231 20 0 HGADRO COC(=O)c1ccc(C[NH2+][C@](C)(CO)Cc2ccccc2F)cc1Br ZINC001183144951 1126153040 /nfs/dbraw/zinc/15/30/40/1126153040.db2.gz DGAUYNHZWLOKKD-IBGZPJMESA-N 1 0 410.283 3.458 20 0 HGADRO CC(C)(C)OC(=O)NC(C)(C)c1cc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)on1 ZINC001181361112 1126153099 /nfs/dbraw/zinc/15/30/99/1126153099.db2.gz LRJAHCRFKNWJLV-MRXNPFEDSA-N 1 0 407.486 3.267 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(C(=O)OCc3ccccc3)[nH]2)cc1 ZINC001183683913 1126153358 /nfs/dbraw/zinc/15/33/58/1126153358.db2.gz DOLSVBFPQMKOCR-XMMPIXPASA-N 1 0 408.498 3.464 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nc3cc(Cl)ccc3n2C)cc1OC ZINC001308116953 1126163303 /nfs/dbraw/zinc/16/33/03/1126163303.db2.gz LPGFZEDTBYZYHJ-OAQYLSRUSA-N 1 0 403.910 3.327 20 0 HGADRO Cc1c(O)ccc2c(C[NH2+][C@H](Cc3ccccc3)[C@H](O)C(F)(F)F)cc(=O)oc12 ZINC001460697537 1126191993 /nfs/dbraw/zinc/19/19/93/1126191993.db2.gz RXKGCRAYSLBRMQ-UZLBHIALSA-N 1 0 407.388 3.431 20 0 HGADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nc(N)c2ccccc2n1 ZINC001460868572 1126193087 /nfs/dbraw/zinc/19/30/87/1126193087.db2.gz LUMHXHUYIYMVAC-IBGZPJMESA-N 1 0 401.308 3.058 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(OC)c(OC)cc2Cl)cc1OC ZINC001461737174 1126196943 /nfs/dbraw/zinc/19/69/43/1126196943.db2.gz URCFLAWTCFTPJP-OAQYLSRUSA-N 1 0 409.910 3.458 20 0 HGADRO COC(=O)c1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(OC)cc2)c(Br)c1 ZINC001462567458 1126198066 /nfs/dbraw/zinc/19/80/66/1126198066.db2.gz SYUWTGLZHKNLPZ-HXUWFJFHSA-N 1 0 422.319 3.328 20 0 HGADRO OC[C@@]1([NH2+]Cc2ccnn2CC2CCC2)CCc2cc(Br)ccc2C1 ZINC001461633893 1126195438 /nfs/dbraw/zinc/19/54/38/1126195438.db2.gz OGQPEMQSRPRPDV-HXUWFJFHSA-N 1 0 404.352 3.455 20 0 HGADRO Cc1nn2c(C[NH2+][C@]3(CO)CCc4cc(Br)ccc4C3)c(C)nc2s1 ZINC001474626712 1126204639 /nfs/dbraw/zinc/20/46/39/1126204639.db2.gz QDECVLYNTDTFHB-GOSISDBHSA-N 1 0 421.364 3.180 20 0 HGADRO Cn1nc(C(F)(F)F)cc1C[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC001560182427 1126208586 /nfs/dbraw/zinc/20/85/86/1126208586.db2.gz DKCLBTABKSOJNS-OAHLLOKOSA-N 1 0 406.246 3.285 20 0 HGADRO O=c1[nH]c2cccc(C[NH2+][C@@]3(CO)CCc4cc(Br)ccc4C3)c2o1 ZINC001560532399 1126211816 /nfs/dbraw/zinc/21/18/16/1126211816.db2.gz JDIJZGVQCAUTPJ-IBGZPJMESA-N 1 0 403.276 3.306 20 0 HGADRO CN(C)c1cc(Cl)nc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)n1 ZINC001164387199 718814259 /nfs/dbraw/zinc/81/42/59/718814259.db2.gz FCKBQEXRYITXOM-LBPRGKRZSA-N 1 0 413.822 3.252 20 0 HGADRO COc1cc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)nc(Cl)n1 ZINC001164387375 718815724 /nfs/dbraw/zinc/81/57/24/718815724.db2.gz GCWHIZWUTWEUFM-LLVKDONJSA-N 1 0 400.779 3.194 20 0 HGADRO CC(C)c1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[NH2+]C[C@@]4(CO)C3)c(Cl)nn2)cc1 ZINC001164410294 718854826 /nfs/dbraw/zinc/85/48/26/718854826.db2.gz ZWSNRFUFDUZFNL-JXFKEZNVSA-N 1 0 422.907 3.483 20 0 HGADRO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CCO[C@H]2C[NH2+]CC[C@H]2C1 ZINC001164402162 718862988 /nfs/dbraw/zinc/86/29/88/718862988.db2.gz IZWKROVKMMZULU-HZMBPMFUSA-N 1 0 403.260 3.296 20 0 HGADRO COc1ccc(-c2cc(C(F)(F)N3CCO[C@H]4C[NH2+]CC[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164407876 718865799 /nfs/dbraw/zinc/86/57/99/718865799.db2.gz KLDFTHFMQSTABO-KDOFPFPSSA-N 1 0 424.879 3.165 20 0 HGADRO O=C(Nc1cccnc1Cl)OCC(F)(F)N1C[C@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164427118 718946364 /nfs/dbraw/zinc/94/63/64/718946364.db2.gz ATQCGLIVTQOXHP-GDBMZVCRSA-N 1 0 408.836 3.448 20 0 HGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN([C@H](F)Oc1cccc(Cl)n1)C2 ZINC001164616496 719008972 /nfs/dbraw/zinc/00/89/72/719008972.db2.gz KVQMRZBRVHGWGU-DCPHZVHLSA-N 1 0 411.905 3.012 20 0 HGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cccc(-c2ccc(Cl)nn2)c1 ZINC001164614864 719018558 /nfs/dbraw/zinc/01/85/58/719018558.db2.gz GRZSSPJCMPZLAT-JQFCIGGWSA-N 1 0 422.863 3.072 20 0 HGADRO CCOC(=O)c1nc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)ccc1Cl ZINC001164617050 719029919 /nfs/dbraw/zinc/02/99/19/719029919.db2.gz JRPQTJBQLJRZON-UHFFFAOYSA-N 1 0 423.941 3.156 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(C)nc(-c4ccccn4)n3)CC2)CC1 ZINC001164618667 719031282 /nfs/dbraw/zinc/03/12/82/719031282.db2.gz XUAQQTQSWXFYQA-UHFFFAOYSA-N 1 0 409.534 3.091 20 0 HGADRO C[NH+]1CCN(c2cccc(N3C[C@@H]4O[C@H](c5nc(C6CC6)cs5)C[C@H]4C3)n2)CC1 ZINC001164645563 719289599 /nfs/dbraw/zinc/28/95/99/719289599.db2.gz KMJKKDFAPAVUGT-WDSOQIARSA-N 1 0 411.575 3.134 20 0 HGADRO C[N@@H+]1CCO[C@H]2CN(c3cc(-c4ccc(Cl)nc4)ccc3C3OCCCO3)C[C@@H]21 ZINC001164666472 719421241 /nfs/dbraw/zinc/42/12/41/719421241.db2.gz CVTLCPRRTIXQSD-PMACEKPBSA-N 1 0 415.921 3.357 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C(=O)N3CCCC3)C[C@H]3OCC[C@@H]32)nc1 ZINC001164679417 719545298 /nfs/dbraw/zinc/54/52/98/719545298.db2.gz ZXSOFUJDVQGBFG-YUMYIRISSA-N 1 0 412.578 3.235 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)CC2 ZINC001164681772 719716034 /nfs/dbraw/zinc/71/60/34/719716034.db2.gz AHOIKWVKMQXTEP-UHFFFAOYSA-N 1 0 423.895 3.009 20 0 HGADRO CCOC(=O)c1nccnc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164694470 719808595 /nfs/dbraw/zinc/80/85/95/719808595.db2.gz YNWPEOSAKYSYGG-UHFFFAOYSA-N 1 0 401.536 3.053 20 0 HGADRO COC(=O)c1nc(Cl)cnc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164692552 719808964 /nfs/dbraw/zinc/80/89/64/719808964.db2.gz IZZUQUIAOISSTO-UHFFFAOYSA-N 1 0 421.954 3.317 20 0 HGADRO c1csc(C[N@@H+]2CCOC3(CCN(c4cc(N5CCCCC5)ncn4)CC3)C2)c1 ZINC001164697710 719897700 /nfs/dbraw/zinc/89/77/00/719897700.db2.gz NXFRHPQHXUWXBT-UHFFFAOYSA-N 1 0 413.591 3.400 20 0 HGADRO c1csc(C[N@@H+]2CCOC3(CCN(c4cc(-c5ccncc5)ncn4)CC3)C2)c1 ZINC001164705882 719899664 /nfs/dbraw/zinc/89/96/64/719899664.db2.gz FCZOERYCDYYMMZ-UHFFFAOYSA-N 1 0 407.543 3.472 20 0 HGADRO CCO[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)[C@H]2CCCO[C@@H]12 ZINC001164714236 720067103 /nfs/dbraw/zinc/06/71/03/720067103.db2.gz PYAWQKCENZUFMM-RCCFBDPRSA-N 1 0 413.896 3.429 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(C)cc(Cl)n1)C2 ZINC001164808468 720074602 /nfs/dbraw/zinc/07/46/02/720074602.db2.gz HNKACJFYGKLUHU-YJBOKZPZSA-N 1 0 400.901 3.168 20 0 HGADRO COCc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)nc(-c2ccccc2)n1 ZINC001164810389 720076366 /nfs/dbraw/zinc/07/63/66/720076366.db2.gz LMFCQEQRKIMCOL-BWKNWUBXSA-N 1 0 422.573 3.475 20 0 HGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cnc(F)cc31)CC2 ZINC001164719062 720107208 /nfs/dbraw/zinc/10/72/08/720107208.db2.gz VBVBZIAIGHFWHW-GOSISDBHSA-N 1 0 422.508 3.066 20 0 HGADRO C=C(OCC)c1ccc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nn1 ZINC001164716963 720117806 /nfs/dbraw/zinc/11/78/06/720117806.db2.gz MLNLVASTSKHQKL-OAQYLSRUSA-N 1 0 423.561 3.386 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)cc(SC)n1)CC2 ZINC001164714259 720117986 /nfs/dbraw/zinc/11/79/86/720117986.db2.gz BFOLJDSDARPDDL-IBGZPJMESA-N 1 0 413.591 3.409 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)cc1N)C2 ZINC001164811564 720121448 /nfs/dbraw/zinc/12/14/48/720121448.db2.gz MLZBNHPZGAMDTQ-RDTXWAMCSA-N 1 0 400.901 3.047 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3sc(C)nc31)C2 ZINC001164813121 720124343 /nfs/dbraw/zinc/12/43/43/720124343.db2.gz PPJBPLAGXSPWEI-AUUYWEPGSA-N 1 0 407.971 3.233 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc(OC)c(Cl)n1)C2 ZINC001164813328 720127378 /nfs/dbraw/zinc/12/73/78/720127378.db2.gz QGGKXGJLJAQRHW-DNVCBOLYSA-N 1 0 415.912 3.473 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(N)cc(Cl)n1)C2 ZINC001164816229 720129390 /nfs/dbraw/zinc/12/93/90/720129390.db2.gz YOLYTZNMKNFIEW-KBXCAEBGSA-N 1 0 400.901 3.047 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(N)cc(Cl)n1)C2 ZINC001164816231 720129975 /nfs/dbraw/zinc/12/99/75/720129975.db2.gz YOLYTZNMKNFIEW-KSSFIOAISA-N 1 0 400.901 3.047 20 0 HGADRO CCOC(=O)c1c(C)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)nc1C ZINC001164816161 720132586 /nfs/dbraw/zinc/13/25/86/720132586.db2.gz XZPFRTWTTYDDDO-AUSIDOKSSA-N 1 0 401.551 3.060 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(C)c(C)c(Cl)n1)C2 ZINC001164807976 720138303 /nfs/dbraw/zinc/13/83/03/720138303.db2.gz DHUROJZGNLXOGU-APWZRJJASA-N 1 0 414.928 3.476 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3cc1C(=O)OC)C2 ZINC001164815423 720142012 /nfs/dbraw/zinc/14/20/12/720142012.db2.gz VNVKHJGKHNPUGO-NTKDMRAZSA-N 1 0 409.530 3.206 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(Cl)c(N)n1)CC2 ZINC001164715631 720156853 /nfs/dbraw/zinc/15/68/53/720156853.db2.gz VMCFAGPTIFIUSS-KRWDZBQOSA-N 1 0 401.942 3.220 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc3ccc(C(=O)OC)cc3cn1)C2 ZINC001164814392 720158088 /nfs/dbraw/zinc/15/80/88/720158088.db2.gz GBUDRJJXJCXYIR-QPPBQGQZSA-N 1 0 409.530 3.206 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3nc1N1CCCC1)C2 ZINC001164817424 720160030 /nfs/dbraw/zinc/16/00/30/720160030.db2.gz PIOMHQPAUZOWKR-CJFMBICVSA-N 1 0 421.589 3.415 20 0 HGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(C(C)(C)C)nc3[nH]ccc31)CCC2 ZINC001164812335 720232017 /nfs/dbraw/zinc/23/20/17/720232017.db2.gz FSYBLLAGSOJVFL-UHFFFAOYSA-N 1 0 423.565 3.063 20 0 HGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nccnc1Oc1ccccc1)CCC2 ZINC001164814627 720241513 /nfs/dbraw/zinc/24/15/13/720241513.db2.gz ZQKIYGSOOMPPHV-UHFFFAOYSA-N 1 0 420.517 3.076 20 0 HGADRO Cc1cc2ncnc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c2cc1C ZINC001164818248 720244066 /nfs/dbraw/zinc/24/40/66/720244066.db2.gz XPYIZJZAWPLVBO-UHFFFAOYSA-N 1 0 406.534 3.054 20 0 HGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(C3CCC3)nc3[nH]ccc31)CCC2 ZINC001164817462 720247780 /nfs/dbraw/zinc/24/77/80/720247780.db2.gz RITSIUHBBCMEFO-UHFFFAOYSA-N 1 0 421.549 3.033 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cccnc2Cl)CC1 ZINC001164818615 720289306 /nfs/dbraw/zinc/28/93/06/720289306.db2.gz ASPSYKXEDUDTBM-SJORKVTESA-N 1 0 412.912 3.191 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3cc(Cl)ccc32)CC1 ZINC001164821626 720310508 /nfs/dbraw/zinc/31/05/08/720310508.db2.gz LMGJQBFSJVDFHM-UXHICEINSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cnc3c(Cl)cccc3n2)CC1 ZINC001164823157 720310525 /nfs/dbraw/zinc/31/05/25/720310525.db2.gz PAVTWIGLZJYJGB-MOPGFXCFSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc3ccccc3nc2Cl)CC1 ZINC001164821347 720311303 /nfs/dbraw/zinc/31/13/03/720311303.db2.gz KBHGCYWYWMYLDG-OALUTQOASA-N 1 0 413.953 3.195 20 0 HGADRO CSc1cc(Cl)ncc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821662 720312065 /nfs/dbraw/zinc/31/20/65/720312065.db2.gz LVTUENFEXOKCEW-HOTGVXAUSA-N 1 0 408.999 3.368 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc3cc(Cl)cnc3n2)CC1 ZINC001164826569 720314312 /nfs/dbraw/zinc/31/43/12/720314312.db2.gz VQOKNFVPVFVXKN-RTBURBONSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc3nccc(Cl)c3cn2)CC1 ZINC001164827895 720315897 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WGKVWSOOPNWHFG-FCHUYYIVSA-N 1 0 423.536 3.194 20 0 HGADRO O=C(NCc1ccccc1)c1cccnc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164729818 720342813 /nfs/dbraw/zinc/34/28/13/720342813.db2.gz YIRQRCWYTQYXOM-PKTZIBPZSA-N 1 0 413.525 3.260 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(C3CCC3)nc3[nH]ccc32)CC1 ZINC001164822890 720355786 /nfs/dbraw/zinc/35/57/86/720355786.db2.gz GDEUBAQYNUGPPF-PMACEKPBSA-N 1 0 422.577 3.137 20 0 HGADRO Cc1nc(CO[C@@H]2CN(c3ncccc3C[NH+]3CCCC3)[C@@H]3CCCO[C@H]23)cs1 ZINC001164825850 720392464 /nfs/dbraw/zinc/39/24/64/720392464.db2.gz VOYUEXYVOPIHSS-NJYVYQBISA-N 1 0 414.575 3.395 20 0 HGADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164731312 720395550 /nfs/dbraw/zinc/39/55/50/720395550.db2.gz ZCBVOBMYAUTLJQ-MOPGFXCFSA-N 1 0 413.953 3.465 20 0 HGADRO COc1ccc(OC)c(-c2ccc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nn2)c1 ZINC001164735043 720457186 /nfs/dbraw/zinc/45/71/86/720457186.db2.gz VEMXZXBXEVZYMF-VXKWHMMOSA-N 1 0 417.513 3.409 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CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nccc(N4CCCCC4)n3)CC[C@@H]21 ZINC001164837397 720569172 /nfs/dbraw/zinc/56/91/72/720569172.db2.gz MGVXQIBBNXAMLL-ACRUOGEOSA-N 1 0 409.582 3.041 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN(c3nccc(-c4cccnc4F)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841416 720572382 /nfs/dbraw/zinc/57/23/82/720572382.db2.gz VFGUEUQLABXACX-LVCYWYKZSA-N 1 0 421.524 3.252 20 0 HGADRO COC(OC)c1cc(C)cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164843525 720582741 /nfs/dbraw/zinc/58/27/41/720582741.db2.gz XSPNSLIFWXATEU-QKNQBKEWSA-N 1 0 413.566 3.256 20 0 HGADRO Cc1noc(-c2ccnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2)n1 ZINC001164842898 720613215 /nfs/dbraw/zinc/61/32/15/720613215.db2.gz WGDBCWBMIFAXAN-HSALFYBXSA-N 1 0 407.522 3.014 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(N4CCC[C@@H](C)C4)ncn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836248 720625213 /nfs/dbraw/zinc/62/52/13/720625213.db2.gz FNPIOQHVEOSFQR-CLAROIROSA-N 1 0 423.609 3.287 20 0 HGADRO CC(C)OC(=O)c1cccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164835183 720636825 /nfs/dbraw/zinc/63/68/25/720636825.db2.gz AMEVVDWEWHTWDK-IRFCIJBXSA-N 1 0 411.550 3.221 20 0 HGADRO COC(=O)c1cnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(C)c1 ZINC001164842639 720679868 /nfs/dbraw/zinc/67/98/68/720679868.db2.gz LXZNBKJJMSRNGJ-OAQYLSRUSA-N 1 0 409.530 3.437 20 0 HGADRO Clc1cccc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164742033 720683135 /nfs/dbraw/zinc/68/31/35/720683135.db2.gz VLTQBIZZYKXHFY-STQMWFEESA-N 1 0 417.300 3.069 20 0 HGADRO c1ccc(-c2nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc3ccccc32)cc1 ZINC001164739302 720689316 /nfs/dbraw/zinc/68/93/16/720689316.db2.gz MVZXXMKFDXWLKA-VQTJNVASSA-N 1 0 424.508 3.429 20 0 HGADRO CCOC(=O)c1c(C)ncnc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164842684 720693609 /nfs/dbraw/zinc/69/36/09/720693609.db2.gz MOEBQUUOWWBCLC-FQEVSTJZSA-N 1 0 424.545 3.222 20 0 HGADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(-c3nnco3)ccn1)CC2 ZINC001164840347 720718456 /nfs/dbraw/zinc/71/84/56/720718456.db2.gz PRASDNSXBXYCDJ-FQEVSTJZSA-N 1 0 405.502 3.392 20 0 HGADRO CCCCOc1cnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c(Cl)c1 ZINC001164739010 720745276 /nfs/dbraw/zinc/74/52/76/720745276.db2.gz HMFLRRJXFFTFGV-DOTOQJQBSA-N 1 0 403.914 3.046 20 0 HGADRO CCCCOc1cnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(Cl)c1 ZINC001164739011 720746101 /nfs/dbraw/zinc/74/61/01/720746101.db2.gz HMFLRRJXFFTFGV-NVXWUHKLSA-N 1 0 403.914 3.046 20 0 HGADRO Clc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164748308 720811287 /nfs/dbraw/zinc/81/12/87/720811287.db2.gz QQGGKTVPXXGHHL-QILLFSRXSA-N 1 0 407.349 3.359 20 0 HGADRO c1ncn(C[C@H]2C[C@H]3CN(c4ccnc(-c5ccccc5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164741254 720816190 /nfs/dbraw/zinc/81/61/90/720816190.db2.gz MSIQJITYWLUIRT-BHDDXSALSA-N 1 0 415.545 3.115 20 0 HGADRO Cc1nc2cc(F)ccc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164737654 720820244 /nfs/dbraw/zinc/82/02/44/720820244.db2.gz BHBAKFSPIQKXCJ-LQBOVUBWSA-N 1 0 421.524 3.048 20 0 HGADRO Clc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2c(n1)CCC2 ZINC001164740267 720820256 /nfs/dbraw/zinc/82/02/56/720820256.db2.gz JYMHCCIHLJUOHF-ABSDTBQOSA-N 1 0 412.969 3.195 20 0 HGADRO COc1ccc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ccc2c1 ZINC001164743296 720822312 /nfs/dbraw/zinc/82/23/12/720822312.db2.gz RYCHOCSVWXXLHA-TXTKFYIRSA-N 1 0 418.545 3.214 20 0 HGADRO Clc1ccc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cnc2c1 ZINC001164740695 720823196 /nfs/dbraw/zinc/82/31/96/720823196.db2.gz KRUFUBVFLXKJAA-HGHGUNKESA-N 1 0 423.952 3.254 20 0 HGADRO CCOc1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164746108 720826973 /nfs/dbraw/zinc/82/69/73/720826973.db2.gz XYLVJYKYMNNOJR-ZHALLVOQSA-N 1 0 416.957 3.105 20 0 HGADRO F[C@H](c1ccnc(Cl)c1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744637 720827694 /nfs/dbraw/zinc/82/76/94/720827694.db2.gz VPYSRWBOKQBMCC-XFKSJGNHSA-N 1 0 404.921 3.170 20 0 HGADRO Fc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2ccccc12 ZINC001164738464 720830624 /nfs/dbraw/zinc/83/06/24/720830624.db2.gz FXDIEVDQHJQGQQ-JBYIUTFZSA-N 1 0 406.509 3.345 20 0 HGADRO Fc1ccc2ccnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164737368 720830805 /nfs/dbraw/zinc/83/08/05/720830805.db2.gz AKGXXJMTXDBSJY-RCZSKKKRSA-N 1 0 406.509 3.345 20 0 HGADRO Clc1ccc2cnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1 ZINC001164748753 720834107 /nfs/dbraw/zinc/83/41/07/720834107.db2.gz UVMFJQWIOLVYCN-HFSMHLIXSA-N 1 0 423.952 3.254 20 0 HGADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3)CC[C@H]2C1 ZINC001164857745 720835554 /nfs/dbraw/zinc/83/55/54/720835554.db2.gz YPEMSKRMVZJCSV-GXTWGEPZSA-N 1 0 410.292 3.107 20 0 HGADRO Clc1cc2cc[nH]c2nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164741150 720835630 /nfs/dbraw/zinc/83/56/30/720835630.db2.gz DGUOBVABMMREBP-ZIFCJYIRSA-N 1 0 411.941 3.139 20 0 HGADRO Clc1cc2cc[nH]c2nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164741144 720835669 /nfs/dbraw/zinc/83/56/69/720835669.db2.gz DGUOBVABMMREBP-JENIJYKNSA-N 1 0 411.941 3.139 20 0 HGADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)ncc3Cl)CC[C@H]2C1 ZINC001164855176 720836010 /nfs/dbraw/zinc/83/60/10/720836010.db2.gz SVCHRITVJOKSDO-WFASDCNBSA-N 1 0 410.292 3.107 20 0 HGADRO c1ncn(C[C@H]2C[C@H]3CN(c4cnc(-c5ccccc5)cn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164750374 720847003 /nfs/dbraw/zinc/84/70/03/720847003.db2.gz XJHXYWZBPPIXIZ-QZNHQXDQSA-N 1 0 415.545 3.115 20 0 HGADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc4ccc(Cl)cc4nc3Cl)CC[C@H]2C1 ZINC001164851409 720848122 /nfs/dbraw/zinc/84/81/22/720848122.db2.gz GWZBQWJHLPYDRU-SUMWQHHRSA-N 1 0 411.333 3.110 20 0 HGADRO 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ZINC001164852950 720873753 /nfs/dbraw/zinc/87/37/53/720873753.db2.gz AREQQEACDCQVDM-WMZOPIPTSA-N 1 0 416.591 3.052 20 0 HGADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4cccc5ccccc54)nn3)CC[C@H]2C1 ZINC001164853902 720881868 /nfs/dbraw/zinc/88/18/68/720881868.db2.gz DSOMWAUEEZCXPL-GBXCKJPGSA-N 1 0 418.541 3.470 20 0 HGADRO Cc1cc(C)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164757865 720881972 /nfs/dbraw/zinc/88/19/72/720881972.db2.gz VXUZAPCYIIWCGR-UPVQGACJSA-N 1 0 407.562 3.244 20 0 HGADRO CCc1nccnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752568 720886799 /nfs/dbraw/zinc/88/67/99/720886799.db2.gz FDUQZEHPKDRMQZ-ZJSXRUAMSA-N 1 0 407.562 3.189 20 0 HGADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)CC[C@@H]2C1 ZINC001164853893 720890642 /nfs/dbraw/zinc/89/06/42/720890642.db2.gz DORVCCKVFIABPX-WBVHZDCISA-N 1 0 415.912 3.029 20 0 HGADRO CCc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164750616 720915100 /nfs/dbraw/zinc/91/51/00/720915100.db2.gz JXXIHVKRMXBGEJ-QPPBQGQZSA-N 1 0 407.562 3.189 20 0 HGADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2cc4c(nn2)CCC4)C3)c1 ZINC001164747949 720929215 /nfs/dbraw/zinc/92/92/15/720929215.db2.gz FAADHLXQEPNGCG-WIOPSUGQSA-N 1 0 419.573 3.115 20 0 HGADRO CCOC(=O)c1cnc(C2CC2)nc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164863438 720961216 /nfs/dbraw/zinc/96/12/16/720961216.db2.gz ZYOVWPNXRPSIQD-OAHLLOKOSA-N 1 0 412.538 3.149 20 0 HGADRO CCOC(=O)c1ccc2ncnc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c2c1 ZINC001164861473 720962364 /nfs/dbraw/zinc/96/23/64/720962364.db2.gz SQPRTTOGVGVHFW-MRXNPFEDSA-N 1 0 422.533 3.424 20 0 HGADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nccc(C(=O)OC(C)(C)C)n1)[C@H]2C ZINC001164861737 720972885 /nfs/dbraw/zinc/97/28/85/720972885.db2.gz QOGQUOCUIAHRAH-HNNXBMFYSA-N 1 0 400.527 3.050 20 0 HGADRO c1ccc(CO[C@@H]2CO[C@]3(C2)CCCN(c2ncccc2C[NH+]2CCCC2)C3)nc1 ZINC001164762308 721032105 /nfs/dbraw/zinc/03/21/05/721032105.db2.gz HNWDODDDOXOJIK-UPVQGACJSA-N 1 0 408.546 3.417 20 0 HGADRO Clc1nnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c2sccc21 ZINC001164866043 721065045 /nfs/dbraw/zinc/06/50/45/721065045.db2.gz BXOAOACGAZETRB-LSDHHAIUSA-N 1 0 401.923 3.219 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)nc5ccc(F)cc54)C[C@@H]3C2)cn1 ZINC001164771186 721083882 /nfs/dbraw/zinc/08/38/82/721083882.db2.gz ROEOECVOWDPORR-CABCVRRESA-N 1 0 400.889 3.114 20 0 HGADRO Cc1ccc2c(c1)nc(Cl)nc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867738 721091632 /nfs/dbraw/zinc/09/16/32/721091632.db2.gz ZUITZFORKIZSNK-QZTJIDSGSA-N 1 0 409.921 3.466 20 0 HGADRO CCc1c(Cl)nnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1CC ZINC001164865764 721093429 /nfs/dbraw/zinc/09/34/29/721093429.db2.gz PHDKRSVTTQTSCM-IRXDYDNUSA-N 1 0 401.942 3.130 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nccnc4C4SCCCS4)C[C@H]3C2)cn1 ZINC001164770581 721104455 /nfs/dbraw/zinc/10/44/55/721104455.db2.gz RAJIKPMEZLJXLP-IAGOWNOFSA-N 1 0 416.620 3.037 20 0 HGADRO CCOC(=O)c1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)nc2ccccc21 ZINC001164769011 721125049 /nfs/dbraw/zinc/12/50/49/721125049.db2.gz OTYGXKRIBRHWFM-OALUTQOASA-N 1 0 419.529 3.103 20 0 HGADRO COc1cccc(-c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)c1 ZINC001164874454 721148262 /nfs/dbraw/zinc/14/82/62/721148262.db2.gz KAVLYCLGXKQUAQ-UNMCSNQZSA-N 1 0 417.513 3.027 20 0 HGADRO Cc1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(-c2ccsc2)n1 ZINC001164875296 721160318 /nfs/dbraw/zinc/16/03/18/721160318.db2.gz KTQCVGRJUYTFEF-VQTJNVASSA-N 1 0 407.543 3.388 20 0 HGADRO Cc1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(-c2ccsc2)n1 ZINC001164875291 721160422 /nfs/dbraw/zinc/16/04/22/721160422.db2.gz KTQCVGRJUYTFEF-PMACEKPBSA-N 1 0 407.543 3.388 20 0 HGADRO Fc1cccc(F)c1-c1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164879057 721163522 /nfs/dbraw/zinc/16/35/22/721163522.db2.gz ROTJYRKVKMHVOY-ZWKOTPCHSA-N 1 0 423.467 3.297 20 0 HGADRO 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Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(C(F)F)nc5ccc(F)cc54)C[C@@H]3C2)cn1 ZINC001164766741 721230805 /nfs/dbraw/zinc/23/08/05/721230805.db2.gz VIGIBSHMTZSSDW-GJZGRUSLSA-N 1 0 416.451 3.398 20 0 HGADRO Fc1cccnc1O[C@@H]1COC2(C1)CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164775972 721327864 /nfs/dbraw/zinc/32/78/64/721327864.db2.gz BDBFHHNARGFCNO-IBGZPJMESA-N 1 0 412.509 3.418 20 0 HGADRO CCOc1cc[nH+]c(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)c1 ZINC001164777732 721349848 /nfs/dbraw/zinc/34/98/48/721349848.db2.gz HPQQSARCJACFNB-QFIPXVFZSA-N 1 0 400.523 3.204 20 0 HGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(CC(=O)N(c4cnn(C)c4)C3)C2)nc1 ZINC001164886605 721373327 /nfs/dbraw/zinc/37/33/27/721373327.db2.gz MOEBWCDFPYGWAK-ZJSXRUAMSA-N 1 0 422.577 3.386 20 0 HGADRO COc1ccc2nc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c(C)cc2c1 ZINC001164887129 721381202 /nfs/dbraw/zinc/38/12/02/721381202.db2.gz HAKMCMFAEIVXEN-WIOPSUGQSA-N 1 0 424.589 3.317 20 0 HGADRO COc1ccc2nc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)ccc2c1 ZINC001164890968 721401432 /nfs/dbraw/zinc/40/14/32/721401432.db2.gz UUGYKAGAZRSWAH-ZJSXRUAMSA-N 1 0 410.562 3.009 20 0 HGADRO Cc1nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c(Cl)cc1Cl ZINC001164893126 721428333 /nfs/dbraw/zinc/42/83/33/721428333.db2.gz JBWMCRYMTYXGMG-UZLBHIALSA-N 1 0 413.393 3.462 20 0 HGADRO Cc1c[nH]c2nc(Cl)cc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164896758 721431377 /nfs/dbraw/zinc/43/13/77/721431377.db2.gz RXABZOJGSYYLLE-VGSWGCGISA-N 1 0 417.985 3.290 20 0 HGADRO Cc1cccc(-c2ccc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nn2)c1 ZINC001164898780 721434997 /nfs/dbraw/zinc/43/49/97/721434997.db2.gz WZIZBDBIDAOJSB-RCZVLFRGSA-N 1 0 421.589 3.217 20 0 HGADRO Cn1cnc2c1[C@H](COCc1cccnc1)N(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164785917 721442392 /nfs/dbraw/zinc/44/23/92/721442392.db2.gz UIHLYWNVPDUXKA-QFIPXVFZSA-N 1 0 418.545 3.127 20 0 HGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)nc(SC)n1)CC2 ZINC001164790139 721448621 /nfs/dbraw/zinc/44/86/21/721448621.db2.gz WZTPTMYDBMHCDU-IBGZPJMESA-N 1 0 420.623 3.241 20 0 HGADRO CCCc1cncnc1N1CCC2(C[C@@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164789837 721458385 /nfs/dbraw/zinc/45/83/85/721458385.db2.gz XQKHYJLPFSYGBI-NRFANRHFSA-N 1 0 402.583 3.163 20 0 HGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3cccnc3n1)CC2 ZINC001164784673 721458489 /nfs/dbraw/zinc/45/84/89/721458489.db2.gz JMDCGSUMTJWINJ-NRFANRHFSA-N 1 0 410.562 3.364 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3ccccc3nn1)CC2 ZINC001164785486 721460462 /nfs/dbraw/zinc/46/04/62/721460462.db2.gz LMFGRULSMYQGGI-OAQYLSRUSA-N 1 0 410.562 3.364 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3cc(C)[nH]c31)CC2 ZINC001164784639 721461761 /nfs/dbraw/zinc/46/17/61/721461761.db2.gz JBIXTNKDGBTAIV-LJQANCHMSA-N 1 0 413.566 3.000 20 0 HGADRO COC(=O)c1cnc(Cl)cc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900259 721511065 /nfs/dbraw/zinc/51/10/65/721511065.db2.gz PGBGVPIUZUOMIM-GDBMZVCRSA-N 1 0 405.857 3.003 20 0 HGADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)nc5c4CCCC5)CC[N@@H+]3C2)c1 ZINC001164901348 721520616 /nfs/dbraw/zinc/52/06/16/721520616.db2.gz WPOSTCZNXGKJGG-WBVHZDCISA-N 1 0 402.901 3.490 20 0 HGADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nnc(Cl)c5c4CCCC5)CC[N@@H+]3C2)c1 ZINC001164903481 721530334 /nfs/dbraw/zinc/53/03/34/721530334.db2.gz CZPYLHOLKLCNHH-DOTOQJQBSA-N 1 0 402.901 3.490 20 0 HGADRO CC(C)(C)NC(=O)c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164904723 721535363 /nfs/dbraw/zinc/53/53/63/721535363.db2.gz GBYGUXCSQMWERI-QUCCMNQESA-N 1 0 412.509 3.091 20 0 HGADRO Cc1nc2ccc(F)cc2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164806590 721541323 /nfs/dbraw/zinc/54/13/23/721541323.db2.gz OWHZGGUAIQPLPJ-FDFHNCONSA-N 1 0 407.493 3.341 20 0 HGADRO Cc1nc2cc(F)ccc2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164805597 721541394 /nfs/dbraw/zinc/54/13/94/721541394.db2.gz MKVLHEXOWJHGKI-FSSWDIPSSA-N 1 0 407.493 3.341 20 0 HGADRO COc1cc2c(cc1F)ncnc2N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903005 721544406 /nfs/dbraw/zinc/54/44/06/721544406.db2.gz BREFVRDQUUDLGG-NVXWUHKLSA-N 1 0 412.440 3.259 20 0 HGADRO COC(=O)/C=C\c1cc(C)cnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164906909 721547644 /nfs/dbraw/zinc/54/76/44/721547644.db2.gz LTMREJWRDKQNLU-RTVDBWQISA-N 1 0 411.477 3.057 20 0 HGADRO C=Cc1nc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1OC ZINC001164907200 721550799 /nfs/dbraw/zinc/55/07/99/721550799.db2.gz MQSSCENYHDSCIY-GDBMZVCRSA-N 1 0 404.873 3.263 20 0 HGADRO Nc1cc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cnc1Cl ZINC001164911400 721551202 /nfs/dbraw/zinc/55/12/02/721551202.db2.gz WQVJDNVXPDLMSF-GOEBONIOSA-N 1 0 412.843 3.343 20 0 HGADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4ncnc(-c5cccc(F)c5)n4)CC[N@@H+]3C2)c1 ZINC001164903522 721557644 /nfs/dbraw/zinc/55/76/44/721557644.db2.gz BZMQVKNGENSJJA-AZUAARDMSA-N 1 0 409.440 3.159 20 0 HGADRO Cc1nc(-c2ccncc2)cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164909706 721558386 /nfs/dbraw/zinc/55/83/86/721558386.db2.gz UPMBTXSAPYDAQD-CTNGQTDRSA-N 1 0 405.477 3.328 20 0 HGADRO COc1cc(C)c2ncnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1 ZINC001164903497 721568677 /nfs/dbraw/zinc/56/86/77/721568677.db2.gz BODFJROYDKXBPS-FXAWDEMLSA-N 1 0 408.477 3.428 20 0 HGADRO Cc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(-c2ccccn2)n1 ZINC001164809837 721575834 /nfs/dbraw/zinc/57/58/34/721575834.db2.gz XMGDGDJFAFACQW-FUDKSRODSA-N 1 0 416.529 3.110 20 0 HGADRO Cc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc(-c2ccccn2)n1 ZINC001164809840 721575840 /nfs/dbraw/zinc/57/58/40/721575840.db2.gz XMGDGDJFAFACQW-QNWVGRARSA-N 1 0 416.529 3.110 20 0 HGADRO CCN(CC)c1cncc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908546 721716364 /nfs/dbraw/zinc/71/63/64/721716364.db2.gz XSUXESGQJHXIIU-OAQYLSRUSA-N 1 0 416.520 3.456 20 0 HGADRO FC1(F)CCN(c2cc(-c3nnco3)ccn2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164913437 721728591 /nfs/dbraw/zinc/72/85/91/721728591.db2.gz VUFQAXWDDVRTDX-HXUWFJFHSA-N 1 0 412.444 3.264 20 0 HGADRO Cc1cccc2c(Cl)nnc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c12 ZINC001165010645 721736769 /nfs/dbraw/zinc/73/67/69/721736769.db2.gz IKBWZPXMPJXWCT-UHFFFAOYSA-N 1 0 401.942 3.115 20 0 HGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)cc3c(Cl)ccnc32)CC1 ZINC001165011912 721736967 /nfs/dbraw/zinc/73/69/67/721736967.db2.gz XDONKZSQDJLPGR-UHFFFAOYSA-N 1 0 422.360 3.460 20 0 HGADRO CCCCOc1cnc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c(Cl)c1 ZINC001165010269 721743711 /nfs/dbraw/zinc/74/37/11/721743711.db2.gz LCCVRJIFKQELKF-UHFFFAOYSA-N 1 0 408.974 3.437 20 0 HGADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(CCN(c4cncnc4)C3=O)C2)nc1 ZINC001165020198 721785317 /nfs/dbraw/zinc/78/53/17/721785317.db2.gz NJDVHRIQGCBFNH-XUZZJYLKSA-N 1 0 420.561 3.442 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3C(=O)N3CCCC3)C[C@H]21 ZINC001165020569 721799087 /nfs/dbraw/zinc/79/90/87/721799087.db2.gz FZZDLOIARUMISI-WWPVKYPJSA-N 1 0 419.573 3.450 20 0 HGADRO CSc1nc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165026637 721806811 /nfs/dbraw/zinc/80/68/11/721806811.db2.gz RQKQYULUAKGGBA-CWRNSKLLSA-N 1 0 404.971 3.379 20 0 HGADRO c1csc(COC[C@@H]2CC[C@@H]3[C@@H]2OCCN3c2ncccc2C[NH+]2CCCC2)n1 ZINC001164919455 721811392 /nfs/dbraw/zinc/81/13/92/721811392.db2.gz XYCDJGKOWHXZOY-QKNQBKEWSA-N 1 0 414.575 3.335 20 0 HGADRO CN(C)c1cc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165026862 721814654 /nfs/dbraw/zinc/81/46/54/721814654.db2.gz RUMHQRYCZMWCHB-RYQLBKOJSA-N 1 0 400.958 3.328 20 0 HGADRO COC(=O)c1cc2c[nH]c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)cc-2n1 ZINC001165025523 721820351 /nfs/dbraw/zinc/82/03/51/721820351.db2.gz NEBBWKQOTVVWCK-NBCNXNJRSA-N 1 0 419.529 3.481 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN([C@H](F)Oc3cncc(Cl)n3)C[C@H]21 ZINC001165027881 721829283 /nfs/dbraw/zinc/82/92/83/721829283.db2.gz USGXEVOUQMMWOB-OYRIPWCXSA-N 1 0 405.905 3.389 20 0 HGADRO CCS(=O)(=O)c1ccnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165026107 721832187 /nfs/dbraw/zinc/83/21/87/721832187.db2.gz OEQHBUSWZLXTJG-YYWHXJBOSA-N 1 0 414.575 3.007 20 0 HGADRO CCS(=O)(=O)c1ccnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165026096 721832276 /nfs/dbraw/zinc/83/22/76/721832276.db2.gz OEQHBUSWZLXTJG-DZFGPLHGSA-N 1 0 414.575 3.007 20 0 HGADRO O=S(=O)(Nc1cc(F)ccc1F)c1ccc(N2CC[NH+](C3CCCC3)CC2)nc1 ZINC001165032606 721861159 /nfs/dbraw/zinc/86/11/59/721861159.db2.gz SVFPZFRWGBKHMU-UHFFFAOYSA-N 1 0 422.501 3.225 20 0 HGADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ccc(-c2ccc(C3OCCCO3)cc2)cn1 ZINC001164923631 721874426 /nfs/dbraw/zinc/87/44/26/721874426.db2.gz JEVAMZGMYJGOPJ-DHIUTWEWSA-N 1 0 422.573 3.399 20 0 HGADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1cnc(Cl)nc1Oc1ccccc1F ZINC001164935559 721888360 /nfs/dbraw/zinc/88/83/60/721888360.db2.gz XSPPVCCOVIMWIU-CVEARBPZSA-N 1 0 405.905 3.276 20 0 HGADRO c1cc(C2OCCCO2)ccc1-c1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)nc1 ZINC001165038755 721915242 /nfs/dbraw/zinc/91/52/42/721915242.db2.gz PVEKNZHOHVNTJI-JOCHJYFZSA-N 1 0 409.530 3.485 20 0 HGADRO Clc1nnc(Cl)c(N2CCCC[C@@H]2CC[NH+]2CCCC2)c1N1CCOCC1 ZINC001165050277 721979304 /nfs/dbraw/zinc/97/93/04/721979304.db2.gz SHVCVNHCNLLLGA-OAHLLOKOSA-N 1 0 414.381 3.465 20 0 HGADRO CC[NH+](CC)C1CCN(c2nc(CN3CCOCC3)nc3sc(C)c(C)c32)CC1 ZINC001165052857 722005798 /nfs/dbraw/zinc/00/57/98/722005798.db2.gz FHOARXWSCQAQBM-UHFFFAOYSA-N 1 0 417.623 3.451 20 0 HGADRO COC(=O)c1cc(Cl)nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164954184 722013503 /nfs/dbraw/zinc/01/35/03/722013503.db2.gz JVBNVKJDBLFEAK-UHFFFAOYSA-N 1 0 400.910 3.409 20 0 HGADRO CC(C)(C)C(=O)Nc1ccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nn1 ZINC001164952166 722017847 /nfs/dbraw/zinc/01/78/47/722017847.db2.gz IMBUREFFHKNJFP-UHFFFAOYSA-N 1 0 408.550 3.349 20 0 HGADRO Cc1nc(Cl)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1C ZINC001164958800 722051504 /nfs/dbraw/zinc/05/15/04/722051504.db2.gz GLJOGFOBBMEJJZ-UHFFFAOYSA-N 1 0 401.942 3.261 20 0 HGADRO Cc1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1NC(C)C ZINC001164959435 722051947 /nfs/dbraw/zinc/05/19/47/722051947.db2.gz JGUVZNHBOUVZKO-UHFFFAOYSA-N 1 0 410.566 3.119 20 0 HGADRO COc1ccc2cnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc2c1 ZINC001164964211 722054275 /nfs/dbraw/zinc/05/42/75/722054275.db2.gz TUXAJEYHZMHJIX-UHFFFAOYSA-N 1 0 419.529 3.152 20 0 HGADRO CSc1cnc(Cl)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963826 722056588 /nfs/dbraw/zinc/05/65/88/722056588.db2.gz MRSXBLLCWZNUNE-UHFFFAOYSA-N 1 0 419.982 3.366 20 0 HGADRO CC(C)(C)OC(=O)c1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164986628 722104422 /nfs/dbraw/zinc/10/44/22/722104422.db2.gz ZQRFUTZOTRQEHF-LEWJYISDSA-N 1 0 424.545 3.159 20 0 HGADRO Clc1ccnc2c1ccnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975479 722104614 /nfs/dbraw/zinc/10/46/14/722104614.db2.gz BZHNETSATLJWKM-XLIONFOSSA-N 1 0 409.921 3.406 20 0 HGADRO FC(F)(Oc1cccc(Cl)n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982073 722108903 /nfs/dbraw/zinc/10/89/03/722108903.db2.gz VVPZVEQZUOYGIM-IRXDYDNUSA-N 1 0 424.879 3.282 20 0 HGADRO Clc1cccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncc12 ZINC001164975105 722123781 /nfs/dbraw/zinc/12/37/81/722123781.db2.gz JLCPAMYMXYSYAU-DYESRHJHSA-N 1 0 409.921 3.406 20 0 HGADRO COc1ccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc(C)c2c1 ZINC001164981110 722125618 /nfs/dbraw/zinc/12/56/18/722125618.db2.gz SQUMFKIFJJCENS-CVDCTZTESA-N 1 0 419.529 3.069 20 0 HGADRO COc1ccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc(C)c2c1 ZINC001164981112 722125789 /nfs/dbraw/zinc/12/57/89/722125789.db2.gz SQUMFKIFJJCENS-WMZHIEFXSA-N 1 0 419.529 3.069 20 0 HGADRO Clc1ccc2cnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2c1 ZINC001164981011 722125863 /nfs/dbraw/zinc/12/58/63/722125863.db2.gz RXZJGVYTNBTKFP-NQIIRXRSSA-N 1 0 409.921 3.406 20 0 HGADRO COc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc2ccccc21 ZINC001164984644 722132152 /nfs/dbraw/zinc/13/21/52/722132152.db2.gz YEWRKXCHLXULCP-CVDCTZTESA-N 1 0 404.514 3.366 20 0 HGADRO c1ccc(-c2cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncn2)cc1 ZINC001164975160 722138257 /nfs/dbraw/zinc/13/82/57/722138257.db2.gz DXOMFUUHWKYPQT-GMAHTHKFSA-N 1 0 401.514 3.266 20 0 HGADRO Fc1ccc(-c2cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncn2)cc1 ZINC001164984623 722145008 /nfs/dbraw/zinc/14/50/08/722145008.db2.gz XXBFVXASIFJYAM-NFBKMPQASA-N 1 0 419.504 3.405 20 0 HGADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ccc(COC5CCC5)cn4)CC[C@@H]3C2)c1 ZINC001164974800 722151728 /nfs/dbraw/zinc/15/17/28/722151728.db2.gz QRLIEBRMWFLKFT-FYYLOGMGSA-N 1 0 408.546 3.273 20 0 HGADRO Cc1nc(CN2CCO[C@H]3CCN(c4cc(N5CCCC5)cc[nH+]4)CC[C@@H]32)cs1 ZINC001164991684 722184115 /nfs/dbraw/zinc/18/41/15/722184115.db2.gz QJGABRAFOBCZPI-SFTDATJTSA-N 1 0 413.591 3.317 20 0 HGADRO COC(=O)c1cc2c(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)[nH]cnc-2n1 ZINC001164995313 722194356 /nfs/dbraw/zinc/19/43/56/722194356.db2.gz UILNSYUONKEKNT-JOCHJYFZSA-N 1 0 409.465 3.080 20 0 HGADRO CC(C)c1cc2c(ncnc2N2CCCn3cnc(COCC[NH+](C)C)c3C2)s1 ZINC001165001168 722250582 /nfs/dbraw/zinc/25/05/82/722250582.db2.gz NEDLQIAEPAMCEE-UHFFFAOYSA-N 1 0 414.579 3.500 20 0 HGADRO Cc1c(Cl)nc(C2CCC2)nc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165004843 722257973 /nfs/dbraw/zinc/25/79/73/722257973.db2.gz VWVNMGYZFMBOIU-UHFFFAOYSA-N 1 0 418.973 3.391 20 0 HGADRO OC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000500245787 1126095290 /nfs/dbraw/zinc/09/52/90/1126095290.db2.gz OJYRBLNYBXDPBA-GOSISDBHSA-N 1 0 404.283 3.467 20 0 HGADRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000604766552 1126100432 /nfs/dbraw/zinc/10/04/32/1126100432.db2.gz HFHMSLYHAJIWOK-AWEZNQCLSA-N 1 0 403.276 3.352 20 0 HGADRO CC(=O)Nc1cccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC001171948680 1126148716 /nfs/dbraw/zinc/14/87/16/1126148716.db2.gz CNQKGQCOAGSYEN-FQEVSTJZSA-N 1 0 403.320 3.417 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nnc(-c3ccc(Cl)cc3)n2C)cc1 ZINC001176589784 1126150032 /nfs/dbraw/zinc/15/00/32/1126150032.db2.gz YQQMASGEZMTHSU-NRFANRHFSA-N 1 0 400.910 3.227 20 0 HGADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccccc1I ZINC001179277467 1126151702 /nfs/dbraw/zinc/15/17/02/1126151702.db2.gz HREULJDWHZPWGB-SFHVURJKSA-N 1 0 411.283 3.383 20 0 HGADRO COC(=O)c1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c(F)c1 ZINC001196105365 1126153515 /nfs/dbraw/zinc/15/35/15/1126153515.db2.gz VHIFQOOYQIQOTF-HXUWFJFHSA-N 1 0 422.294 3.384 20 0 HGADRO CCc1oc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)cc1C(=O)OC ZINC001206855665 1126159658 /nfs/dbraw/zinc/15/96/58/1126159658.db2.gz JGNNQWNQQACUFV-LJQANCHMSA-N 1 0 410.308 3.474 20 0 HGADRO COC(=O)c1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(OC)c(OC)c2)c2ncccc12 ZINC001308116362 1126163167 /nfs/dbraw/zinc/16/31/67/1126163167.db2.gz BZGDITZFSZFMQN-XMMPIXPASA-N 1 0 424.497 3.122 20 0 HGADRO OC[C@]1([NH2+]Cc2ccc(N3CCCC3)nc2)CCc2cc(Br)ccc2C1 ZINC001308463358 1126166053 /nfs/dbraw/zinc/16/60/53/1126166053.db2.gz BTDHOLWOAIBXSY-NRFANRHFSA-N 1 0 416.363 3.454 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)cc1OC ZINC001461737163 1126196828 /nfs/dbraw/zinc/19/68/28/1126196828.db2.gz UNIQEBFTNSLSCM-QHCPKHFHSA-N 1 0 413.493 3.420 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nc3sc4c(c3c(N)n2)CCCC4)cc1 ZINC001473839297 1126199603 /nfs/dbraw/zinc/19/96/03/1126199603.db2.gz XCTFJRVLLHAOEG-QFIPXVFZSA-N 1 0 412.559 3.244 20 0 HGADRO OC[C@]1([NH2+]Cc2ccnn2CC2CCC2)CCc2cc(Br)ccc2C1 ZINC001461633888 1126195442 /nfs/dbraw/zinc/19/54/42/1126195442.db2.gz OGQPEMQSRPRPDV-FQEVSTJZSA-N 1 0 404.352 3.455 20 0 HGADRO Cc1nn(C)c2ncc(C[NH2+][C@]3(CO)CCc4cc(Br)ccc4C3)cc12 ZINC001474208913 1126202745 /nfs/dbraw/zinc/20/27/45/1126202745.db2.gz UYHXGMQJEAVFOG-HXUWFJFHSA-N 1 0 415.335 3.049 20 0 HGADRO Cc1nn(C)c2ncc(C[NH2+][C@@]3(CO)CCc4cc(Br)ccc4C3)cc12 ZINC001474208912 1126202786 /nfs/dbraw/zinc/20/27/86/1126202786.db2.gz UYHXGMQJEAVFOG-FQEVSTJZSA-N 1 0 415.335 3.049 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cn3ccc(Br)cc3n2)cc1 ZINC001474257555 1126203842 /nfs/dbraw/zinc/20/38/42/1126203842.db2.gz JNMRDMXMIDANST-IBGZPJMESA-N 1 0 404.308 3.189 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)cc1OC ZINC001474258087 1126203975 /nfs/dbraw/zinc/20/39/75/1126203975.db2.gz RJYFAKBSFKTZAS-QHCPKHFHSA-N 1 0 413.493 3.171 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(Br)c(O)c(OC)c2)cc1 ZINC001560580133 1126213365 /nfs/dbraw/zinc/21/33/65/1126213365.db2.gz LJQRUOPVRJYPKE-LJQANCHMSA-N 1 0 410.308 3.255 20 0 HGADRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@](C)(CO)Cc1ccc(Cl)cc1 ZINC001560975668 1126214456 /nfs/dbraw/zinc/21/44/56/1126214456.db2.gz HVLUGXIYUQJYPX-NRFANRHFSA-N 1 0 407.942 3.188 20 0 HGADRO COc1nnc(Cl)cc1C(F)(F)N1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001164389738 718815913 /nfs/dbraw/zinc/81/59/13/718815913.db2.gz YOJXZKFEJOCZER-GFCCVEGCSA-N 1 0 400.779 3.194 20 0 HGADRO OC[C@@]12C[NH2+]C[C@H]1CN(C(F)(F)c1nc3cc(Cl)c(Cl)cc3nc1Cl)C2 ZINC001164403791 718851986 /nfs/dbraw/zinc/85/19/86/718851986.db2.gz IRJDIBFNCBJCTQ-AYVTZFPOSA-N 1 0 423.678 3.153 20 0 HGADRO OC[C@]12C[NH2+]C[C@@H]1CN(C(F)(F)c1nc3cc(Cl)c(Cl)cc3nc1Cl)C2 ZINC001164403789 718852133 /nfs/dbraw/zinc/85/21/33/718852133.db2.gz IRJDIBFNCBJCTQ-ANRSDYALSA-N 1 0 423.678 3.153 20 0 HGADRO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CCO[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001164407679 718862934 /nfs/dbraw/zinc/86/29/34/718862934.db2.gz ZOXBTDCZCPLMQJ-YGRLFVJLSA-N 1 0 403.260 3.296 20 0 HGADRO Cc1sc2nc(CN3CCCCC3)nc(N3CCO[C@H]4C[NH2+]CC[C@@H]4C3)c2c1C ZINC001164408974 718864149 /nfs/dbraw/zinc/86/41/49/718864149.db2.gz OHSUNBDSYZVVPH-MSOLQXFVSA-N 1 0 415.607 3.109 20 0 HGADRO COc1cccc(-c2cc(C(F)(F)N3CCO[C@H]4C[NH2+]CC[C@H]4C3)c(Cl)nn2)c1 ZINC001164410181 718865544 /nfs/dbraw/zinc/86/55/44/718865544.db2.gz YJAZOEBEGYAKSW-KSSFIOAISA-N 1 0 424.879 3.165 20 0 HGADRO Fc1cccc(-c2cc(C(F)(F)N3CCO[C@H]4C[NH2+]CC[C@H]4C3)c(Cl)nn2)c1 ZINC001164404975 718865573 /nfs/dbraw/zinc/86/55/73/718865573.db2.gz BYFRSWBOBZQWAZ-GUYCJALGSA-N 1 0 412.843 3.296 20 0 HGADRO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001164428259 718946727 /nfs/dbraw/zinc/94/67/27/718946727.db2.gz IQFRMEAWRVMPFO-LSDHHAIUSA-N 1 0 403.820 3.406 20 0 HGADRO c1sc2nc(CN3CCOCC3)nc(N3CCC[C@H]4[NH2+]C[C@H]43)c2c1-c1ccccc1 ZINC001164449504 718999366 /nfs/dbraw/zinc/99/93/66/718999366.db2.gz OLUMWMSMDJGGKN-RTBURBONSA-N 1 0 421.570 3.131 20 0 HGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cccnc1Cl)C2 ZINC001164614109 719006580 /nfs/dbraw/zinc/00/65/80/719006580.db2.gz CLBXJVKDYZVWRO-BEFAXECRSA-N 1 0 413.896 3.429 20 0 HGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN([C@@H](F)Oc1cccc(Cl)n1)C2 ZINC001164616502 719008964 /nfs/dbraw/zinc/00/89/64/719008964.db2.gz KVQMRZBRVHGWGU-QMIHWGKISA-N 1 0 411.905 3.012 20 0 HGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cccc(-c2ccc(Cl)nn2)c1 ZINC001164614868 719018285 /nfs/dbraw/zinc/01/82/85/719018285.db2.gz GRZSSPJCMPZLAT-RRQGHBQHSA-N 1 0 422.863 3.072 20 0 HGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)c(-c2ccncc2)c1 ZINC001164618694 719018973 /nfs/dbraw/zinc/01/89/73/719018973.db2.gz SHDNWTZTWNLURY-COXVUDFISA-N 1 0 422.863 3.072 20 0 HGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)c(-c2ccco2)c1 ZINC001164615344 719020200 /nfs/dbraw/zinc/02/02/00/719020200.db2.gz ILMNVBLHCXINAS-BYCMXARLSA-N 1 0 411.836 3.270 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)Oc3cccc(Cl)n3)CC2)CC1 ZINC001164613846 719024471 /nfs/dbraw/zinc/02/44/71/719024471.db2.gz HKNWIFJDPJUFDN-UHFFFAOYSA-N 1 0 417.884 3.404 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(C(=O)OC(C)(C)C)cn3)CC2)CC1 ZINC001164617861 719026558 /nfs/dbraw/zinc/02/65/58/719026558.db2.gz QCXPABRGBONBLJ-UHFFFAOYSA-N 1 0 417.550 3.281 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4[nH]c5ccccc5c43)CC2)CC1 ZINC001164616435 719027995 /nfs/dbraw/zinc/02/79/95/719027995.db2.gz FALYSSAZQDHVSC-UHFFFAOYSA-N 1 0 407.518 3.355 20 0 HGADRO CCOC(=O)c1cnc(SC)nc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164620925 719054272 /nfs/dbraw/zinc/05/42/72/719054272.db2.gz HJFBVDNSOQFLMN-IEBWSBKVSA-N 1 0 412.559 3.476 20 0 HGADRO CCOC(=O)c1cc(Cl)nnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164629651 719067003 /nfs/dbraw/zinc/06/70/03/719067003.db2.gz YKQPSIOHIPGYGL-SJLPKXTDSA-N 1 0 400.910 3.408 20 0 HGADRO CCOC(=O)Cc1nc(Cl)cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164626806 719074259 /nfs/dbraw/zinc/07/42/59/719074259.db2.gz PJHCZANCBITQRX-ZWKOTPCHSA-N 1 0 414.937 3.336 20 0 HGADRO CCOC(=O)c1ncnc(Cl)c1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164625991 719093155 /nfs/dbraw/zinc/09/31/55/719093155.db2.gz HVOLGXXATQPDKE-SJORKVTESA-N 1 0 400.910 3.408 20 0 HGADRO O=C(NC1CCCC1)c1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nn1 ZINC001164629601 719103216 /nfs/dbraw/zinc/10/32/16/719103216.db2.gz SUAZLCYBIQCOMB-SIKLNZKXSA-N 1 0 405.546 3.250 20 0 HGADRO CC(C)c1nccc([C@@H]2C[C@@H]3CCN(c4cccc(N5CC[NH+](C)CC5)n4)C[C@H]3O2)n1 ZINC001164638271 719261795 /nfs/dbraw/zinc/26/17/95/719261795.db2.gz OEMFDMGDVXMSDB-SESVDKBCSA-N 1 0 422.577 3.103 20 0 HGADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2C[C@H](C(=O)N3CC=CC3)C3(C2)CCOCC3)nc1 ZINC001164678187 719561729 /nfs/dbraw/zinc/56/17/29/719561729.db2.gz VVKOSLJOMUPVES-YADHBBJMSA-N 1 0 424.589 3.260 20 0 HGADRO Cc1ccc(-c2nc3c(ncnc3-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)o2)cc1 ZINC001164679444 719640950 /nfs/dbraw/zinc/64/09/50/719640950.db2.gz APSYAWFHBKRBHF-UHFFFAOYSA-N 1 0 417.517 3.265 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1ccnc(Cl)c1Cl)CC2 ZINC001164686336 719702683 /nfs/dbraw/zinc/70/26/83/719702683.db2.gz ZWHQYVLYDISQTN-UHFFFAOYSA-N 1 0 407.292 3.114 20 0 HGADRO COC(=O)c1cnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(Cl)c1 ZINC001164702243 719886016 /nfs/dbraw/zinc/88/60/16/719886016.db2.gz PPWDFLBZFGEGCZ-UHFFFAOYSA-N 1 0 421.950 3.455 20 0 HGADRO c1csc(C[N@@H+]2CCOC3(CCN(c4nccc(N5CCCCC5)n4)CC3)C2)c1 ZINC001164697517 719895084 /nfs/dbraw/zinc/89/50/84/719895084.db2.gz KMSZFTANWADNKV-UHFFFAOYSA-N 1 0 413.591 3.400 20 0 HGADRO CCO[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)[C@@H]2CCCO[C@@H]12 ZINC001164714234 720067597 /nfs/dbraw/zinc/06/75/97/720067597.db2.gz PYAWQKCENZUFMM-KZNAEPCWSA-N 1 0 413.896 3.429 20 0 HGADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)c1 ZINC001164815746 720068426 /nfs/dbraw/zinc/06/84/26/720068426.db2.gz ZJNIZJNLZDQCRP-UTKZUKDTSA-N 1 0 407.942 3.096 20 0 HGADRO COCc1nn(-c2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)c2c1C[NH2+]C2 ZINC001164710934 720078876 /nfs/dbraw/zinc/07/88/76/720078876.db2.gz KRPIVJCEZUSUDV-UHFFFAOYSA-N 1 0 424.574 3.101 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nc(OC)c1)C2 ZINC001164811400 720079570 /nfs/dbraw/zinc/07/95/70/720079570.db2.gz OGKGWXLTVCNLSA-APWZRJJASA-N 1 0 415.912 3.473 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nc(C)n1)C2 ZINC001164808528 720085838 /nfs/dbraw/zinc/08/58/38/720085838.db2.gz HWDMRYAKEDOSMB-MAUKXSAKSA-N 1 0 400.901 3.168 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccnc(NC(=O)OC(C)(C)C)n1)C2 ZINC001164814803 720097707 /nfs/dbraw/zinc/09/77/07/720097707.db2.gz WVKFZKAVOWVRGL-VGOFRKELSA-N 1 0 417.554 3.008 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)ccc1C(=O)OC)CC2 ZINC001164711619 720098920 /nfs/dbraw/zinc/09/89/20/720098920.db2.gz RSYZWPYZZWESGR-FQEVSTJZSA-N 1 0 424.545 3.079 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc(-c3ccccc3)n1)C2 ZINC001164806448 720098923 /nfs/dbraw/zinc/09/89/23/720098923.db2.gz CYZWPPSGISUKJF-XMSQKQJNSA-N 1 0 413.953 3.377 20 0 HGADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)c1C ZINC001164811584 720113329 /nfs/dbraw/zinc/11/33/29/720113329.db2.gz MOQTTZBEPWQGEY-VGSWGCGISA-N 1 0 421.969 3.405 20 0 HGADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)c1C ZINC001164811582 720114155 /nfs/dbraw/zinc/11/41/55/720114155.db2.gz MOQTTZBEPWQGEY-JTSKRJEESA-N 1 0 421.969 3.405 20 0 HGADRO CCOC(=O)c1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)c(Cl)c1 ZINC001164808513 720121849 /nfs/dbraw/zinc/12/18/49/720121849.db2.gz FKFOJGMULNEVJF-UWJYYQICSA-N 1 0 407.942 3.096 20 0 HGADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164810593 720128296 /nfs/dbraw/zinc/12/82/96/720128296.db2.gz KGPPEDNHULYZOL-VGSWGCGISA-N 1 0 421.969 3.405 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc(OC)c(Cl)n1)C2 ZINC001164813333 720128369 /nfs/dbraw/zinc/12/83/69/720128369.db2.gz QGGKXGJLJAQRHW-KXBFYZLASA-N 1 0 415.912 3.473 20 0 HGADRO CCCN(CCC)c1cncc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)n1 ZINC001164813810 720145579 /nfs/dbraw/zinc/14/55/79/720145579.db2.gz QYQVPDPMMDPTJX-NFBKMPQASA-N 1 0 401.599 3.288 20 0 HGADRO CCCN(CCC)c1cncc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)n1 ZINC001164813816 720146330 /nfs/dbraw/zinc/14/63/30/720146330.db2.gz QYQVPDPMMDPTJX-REWPJTCUSA-N 1 0 401.599 3.288 20 0 HGADRO CCOC(=O)c1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)ccc1Cl ZINC001164815073 720151321 /nfs/dbraw/zinc/15/13/21/720151321.db2.gz HWCQOWSZGLJGGP-HRAATJIYSA-N 1 0 407.942 3.096 20 0 HGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(Cl)c(N)n1)CC2 ZINC001164715632 720156475 /nfs/dbraw/zinc/15/64/75/720156475.db2.gz VMCFAGPTIFIUSS-QGZVFWFLSA-N 1 0 401.942 3.220 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(OC)cc3)nn1)C2 ZINC001164817197 720164607 /nfs/dbraw/zinc/16/46/07/720164607.db2.gz OTCRJFQTJMZFGJ-YKSBVNFPSA-N 1 0 408.546 3.337 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C(=O)OC)cc3ccccc31)C2 ZINC001164817829 720174328 /nfs/dbraw/zinc/17/43/28/720174328.db2.gz QIMZVQISFWHHCO-YADARESESA-N 1 0 409.530 3.206 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3cccnc3)nc3c1CCC3)C2 ZINC001164816581 720184748 /nfs/dbraw/zinc/18/47/48/720184748.db2.gz LOGUCLZTIJRCFX-NBGIEHNGSA-N 1 0 419.573 3.212 20 0 HGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccnc(Cl)c1)CCC2 ZINC001164810237 720211542 /nfs/dbraw/zinc/21/15/42/720211542.db2.gz AQCGWXIGKKFANE-UHFFFAOYSA-N 1 0 411.884 3.087 20 0 HGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3cccs3)nn1)CCC2 ZINC001164814550 720228868 /nfs/dbraw/zinc/22/88/68/720228868.db2.gz YALRISDDLUAOOA-UHFFFAOYSA-N 1 0 410.547 3.012 20 0 HGADRO CSc1ccnc(Cl)c1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164812859 720229485 /nfs/dbraw/zinc/22/94/85/720229485.db2.gz JRYOIHFBVBZBTD-UHFFFAOYSA-N 1 0 407.971 3.264 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc3cc(Cl)cnc3n2)CC1 ZINC001164826563 720314298 /nfs/dbraw/zinc/31/42/98/720314298.db2.gz VQOKNFVPVFVXKN-OALUTQOASA-N 1 0 413.953 3.195 20 0 HGADRO COc1ccc2nc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)cc(C)c2c1 ZINC001164827246 720318581 /nfs/dbraw/zinc/31/85/81/720318581.db2.gz HITASEKRENGDSJ-DHIUTWEWSA-N 1 0 422.573 3.463 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nncc3cc(Cl)ccc32)CC1 ZINC001164833898 720321008 /nfs/dbraw/zinc/32/10/08/720321008.db2.gz XVLZZCNNKMMLNR-UXHICEINSA-N 1 0 413.953 3.195 20 0 HGADRO COc1cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc2ccccc21 ZINC001164833008 720330279 /nfs/dbraw/zinc/33/02/79/720330279.db2.gz VKSQHCLDNOTZQZ-SFTDATJTSA-N 1 0 408.546 3.155 20 0 HGADRO O=C(NC1CCCCC1)c1cccnc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721716 720340910 /nfs/dbraw/zinc/34/09/10/720340910.db2.gz DBXPIXKMWKATFP-FCHUYYIVSA-N 1 0 405.546 3.392 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(-c3cccs3)ncn2)CC1 ZINC001164829365 720342262 /nfs/dbraw/zinc/34/22/62/720342262.db2.gz RODLYLUXZLOYTD-RTBURBONSA-N 1 0 411.575 3.117 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nccnc2Oc2ccccc2)CC1 ZINC001164829997 720348119 /nfs/dbraw/zinc/34/81/19/720348119.db2.gz URXKKBCCKSQFCL-LEWJYISDSA-N 1 0 421.545 3.180 20 0 HGADRO COc1cc2nc(C)nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2cc1OC ZINC001164723735 720386872 /nfs/dbraw/zinc/38/68/72/720386872.db2.gz HDDFPGVWCFZPLG-PMACEKPBSA-N 1 0 405.502 3.204 20 0 HGADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725094 720396692 /nfs/dbraw/zinc/39/66/92/720396692.db2.gz LUOQWKBVQOCSIB-MSOLQXFVSA-N 1 0 400.910 3.468 20 0 HGADRO Cc1cc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc(NC(=O)c2ccccc2)n1 ZINC001164731657 720465710 /nfs/dbraw/zinc/46/57/10/720465710.db2.gz XGFJKJOPVVWBRA-RTWAWAEBSA-N 1 0 414.513 3.286 20 0 HGADRO C[NH+](C)Cc1ccnc(N2CCOC[C@]3(C[C@@H](CNc4cccc(F)c4)CO3)C2)c1 ZINC001164729506 720496636 /nfs/dbraw/zinc/49/66/36/720496636.db2.gz RHXSYLSFJMGCFX-CVDCTZTESA-N 1 0 414.525 3.006 20 0 HGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc(Cl)ncn3)CC[C@@H]21 ZINC001164838478 720505988 /nfs/dbraw/zinc/50/59/88/720505988.db2.gz RMAXFOWPEOCFRD-JYJNAYRXSA-N 1 0 410.900 3.249 20 0 HGADRO COC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(Cl)c1 ZINC001164834739 720506767 /nfs/dbraw/zinc/50/67/67/720506767.db2.gz HKRRJDSDCFYEBB-JENIJYKNSA-N 1 0 417.941 3.096 20 0 HGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4c3CCC4)CC[C@@H]21 ZINC001164840784 720515794 /nfs/dbraw/zinc/51/57/94/720515794.db2.gz XNIQFOCJFAQDEV-GJYPPUQNSA-N 1 0 400.958 3.193 20 0 HGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4ncccc43)CC[C@@H]21 ZINC001164839435 720517677 /nfs/dbraw/zinc/51/76/77/720517677.db2.gz UJIUINWAKBQVLD-RYRKJORJSA-N 1 0 411.941 3.253 20 0 HGADRO COc1ccc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1 ZINC001164837229 720521446 /nfs/dbraw/zinc/52/14/46/720521446.db2.gz OPIDRXWTELBMSF-KGVIQGDOSA-N 1 0 406.534 3.213 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN([C@@H](F)Oc3ccnc(Cl)c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835742 720524209 /nfs/dbraw/zinc/52/42/09/720524209.db2.gz KRIYHGNWVFWDDO-YNVMFWSZSA-N 1 0 407.921 3.437 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4cnccc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834914 720527555 /nfs/dbraw/zinc/52/75/55/720527555.db2.gz IFEAFYPKEXZQMK-TXPKVOOTSA-N 1 0 411.941 3.253 20 0 HGADRO COc1ccc(Cc2c(C)nc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)nc2C)cc1 ZINC001164736453 720532288 /nfs/dbraw/zinc/53/22/88/720532288.db2.gz YLSBQSHVNLBTRN-FQEVSTJZSA-N 1 0 420.561 3.087 20 0 HGADRO COC(=O)c1c(C)cc(C)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164833740 720540215 /nfs/dbraw/zinc/54/02/15/720540215.db2.gz BMNKJENTPZWOOL-HSALFYBXSA-N 1 0 411.550 3.059 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN([C@H](F)Oc3cccc(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836386 720544562 /nfs/dbraw/zinc/54/45/62/720544562.db2.gz JTEQUSWTQGTXOQ-YZLZLFLDSA-N 1 0 407.921 3.437 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN([C@@H](F)Oc3cccc(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836381 720544581 /nfs/dbraw/zinc/54/45/81/720544581.db2.gz JTEQUSWTQGTXOQ-AXVVYFOYSA-N 1 0 407.921 3.437 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN([C@@H](F)Oc3ccc(Cl)nc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839553 720544924 /nfs/dbraw/zinc/54/49/24/720544924.db2.gz QMROUIYSHDULJJ-YNVMFWSZSA-N 1 0 407.921 3.437 20 0 HGADRO COc1nc(Cl)ncc1C(F)(F)N([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001164735619 720545511 /nfs/dbraw/zinc/54/55/11/720545511.db2.gz QQARVZFEACANMY-GFCCVEGCSA-N 1 0 404.889 3.200 20 0 HGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3N)CC[C@@H]21 ZINC001164840202 720549106 /nfs/dbraw/zinc/54/91/06/720549106.db2.gz SDGQDIZVPZFYRM-VKJFTORMSA-N 1 0 424.927 3.436 20 0 HGADRO Fc1ccc2nc(Cl)nc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2c1 ZINC001164734118 720552699 /nfs/dbraw/zinc/55/26/99/720552699.db2.gz VEVCPFYOJZREPR-UHFFFAOYSA-N 1 0 400.889 3.277 20 0 HGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nnc(Cl)c4ccoc43)CC[C@@H]21 ZINC001164839120 720570573 /nfs/dbraw/zinc/57/05/73/720570573.db2.gz POJYBZMFKMSLNM-ZOBUZTSGSA-N 1 0 400.914 3.451 20 0 HGADRO 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CC(C)COc1cccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164748925 720841842 /nfs/dbraw/zinc/84/18/42/720841842.db2.gz VCZCTHRGDJUCDR-QHAWAJNXSA-N 1 0 410.566 3.087 20 0 HGADRO Clc1ccnc2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc12 ZINC001164751084 720843029 /nfs/dbraw/zinc/84/30/29/720843029.db2.gz YKJZVVGTTTVZQO-MBOZVWFJSA-N 1 0 423.952 3.254 20 0 HGADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)cc4c(Cl)ccnc43)CC[C@@H]2C1 ZINC001164854007 720852600 /nfs/dbraw/zinc/85/26/00/720852600.db2.gz HYHFMNMQVVQMFH-CJNGLKHVSA-N 1 0 411.333 3.110 20 0 HGADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)cc4c(Cl)ccnc43)CC[C@H]2C1 ZINC001164854006 720853054 /nfs/dbraw/zinc/85/30/54/720853054.db2.gz HYHFMNMQVVQMFH-BBRMVZONSA-N 1 0 411.333 3.110 20 0 HGADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4cc(Cl)ccc43)CC[C@H]2C1 ZINC001164859606 720853891 /nfs/dbraw/zinc/85/38/91/720853891.db2.gz USUBELJHYOPBNQ-GUYCJALGSA-N 1 0 411.333 3.110 20 0 HGADRO 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ZINC001164855959 720893211 /nfs/dbraw/zinc/89/32/11/720893211.db2.gz DSINOWCFLJBYTH-KUHUBIRLSA-N 1 0 423.916 3.209 20 0 HGADRO CCc1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164758438 720897943 /nfs/dbraw/zinc/89/79/43/720897943.db2.gz YCEWLAWMHUCHBN-ZJSXRUAMSA-N 1 0 407.562 3.189 20 0 HGADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncccc1C(=O)N1CCCCC1)[C@@H]2C ZINC001164859805 720928224 /nfs/dbraw/zinc/92/82/24/720928224.db2.gz QAWCNLSLRRAMRB-GOSISDBHSA-N 1 0 410.566 3.326 20 0 HGADRO CCOC(=O)c1nc2ccccc2c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164855544 720930579 /nfs/dbraw/zinc/93/05/79/720930579.db2.gz IJFFNNPQAGKYEU-INIZCTEOSA-N 1 0 422.533 3.424 20 0 HGADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncnc3cc4c(cc31)OCCO4)[C@@H]2C ZINC001164860048 720935192 /nfs/dbraw/zinc/93/51/92/720935192.db2.gz PLKATVZPQCQCCW-OAHLLOKOSA-N 1 0 408.506 3.019 20 0 HGADRO Cc1ccc2c(C)cc(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)nc2c1C ZINC001164753454 720965059 /nfs/dbraw/zinc/96/50/59/720965059.db2.gz FYDVKGFXCCMTJA-UHFFFAOYSA-N 1 0 407.518 3.002 20 0 HGADRO Fc1c(Cl)nccc1C(F)(F)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866267 721050209 /nfs/dbraw/zinc/05/02/09/721050209.db2.gz DJPKINRHZFXSOA-HUUCEWRRSA-N 1 0 412.843 3.294 20 0 HGADRO Clc1nnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c2sccc21 ZINC001164866041 721064687 /nfs/dbraw/zinc/06/46/87/721064687.db2.gz BXOAOACGAZETRB-GJZGRUSLSA-N 1 0 401.923 3.219 20 0 HGADRO Fc1cccc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164866859 721072918 /nfs/dbraw/zinc/07/29/18/721072918.db2.gz GJLYGNGPUBMWPE-HOTGVXAUSA-N 1 0 413.884 3.297 20 0 HGADRO Clc1ncnc2scc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c21 ZINC001164868925 721074718 /nfs/dbraw/zinc/07/47/18/721074718.db2.gz RFSMMRSLNQZIFH-GJZGRUSLSA-N 1 0 401.923 3.219 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)nc4Cl)C[C@H]3C2)cn1 ZINC001164772614 721077789 /nfs/dbraw/zinc/07/77/89/721077789.db2.gz VFWJQXRZNREDML-QWHCGFSZSA-N 1 0 417.291 3.020 20 0 HGADRO Clc1nc2c(c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n1)CCCCC2 ZINC001164866968 721082314 /nfs/dbraw/zinc/08/23/14/721082314.db2.gz VRXLBUUMFSVPSS-ROUUACIJSA-N 1 0 413.953 3.274 20 0 HGADRO Cc1cccc2c(Cl)nnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164865999 721082995 /nfs/dbraw/zinc/08/29/95/721082995.db2.gz QXEGMOWBYNGUMF-QZTJIDSGSA-N 1 0 409.921 3.466 20 0 HGADRO Cc1cccc2c(Cl)nnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164866000 721083324 /nfs/dbraw/zinc/08/33/24/721083324.db2.gz QXEGMOWBYNGUMF-ROUUACIJSA-N 1 0 409.921 3.466 20 0 HGADRO COc1ccc2nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)cc(C)c2c1 ZINC001164867656 721089228 /nfs/dbraw/zinc/08/92/28/721089228.db2.gz ZGMBZBGDLXGTNT-PZJWPPBQSA-N 1 0 404.514 3.427 20 0 HGADRO FC(F)(COc1cccc(Cl)n1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864891 721108874 /nfs/dbraw/zinc/10/88/74/721108874.db2.gz HFCUWDMNAFKGLL-IRXDYDNUSA-N 1 0 424.879 3.077 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc5cc(F)c(F)cc5nc4Cl)C[C@@H]3C2)cn1 ZINC001164769018 721114002 /nfs/dbraw/zinc/11/40/02/721114002.db2.gz OUCFRDLULAWAEN-KGLIPLIRSA-N 1 0 418.879 3.253 20 0 HGADRO CC(C)(C)c1nc2[nH]ccc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164871559 721127653 /nfs/dbraw/zinc/12/76/53/721127653.db2.gz FGUJSYXNQRRXGH-ROUUACIJSA-N 1 0 406.534 3.130 20 0 HGADRO Cc1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)cc1 ZINC001164880444 721138473 /nfs/dbraw/zinc/13/84/73/721138473.db2.gz WRVPPKWPIFZYTK-VXKWHMMOSA-N 1 0 401.514 3.327 20 0 HGADRO Cc1nc2sc3c(c2c(N2CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C2)n1)CCC3 ZINC001164874567 721140701 /nfs/dbraw/zinc/14/07/01/721140701.db2.gz KRRGRCFRGKRRHB-MSOLQXFVSA-N 1 0 421.570 3.363 20 0 HGADRO Fc1ccc(-c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)cc1 ZINC001164874571 721157202 /nfs/dbraw/zinc/15/72/02/721157202.db2.gz KSTDSHGXTKLHFY-LEWJYISDSA-N 1 0 405.477 3.157 20 0 HGADRO Cc1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2ccsc2)n1 ZINC001164875298 721160896 /nfs/dbraw/zinc/16/08/96/721160896.db2.gz KTQCVGRJUYTFEF-WOJBJXKFSA-N 1 0 407.543 3.388 20 0 HGADRO Fc1ccccc1-c1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nn1 ZINC001164877636 721162269 /nfs/dbraw/zinc/16/22/69/721162269.db2.gz PJPGKZHWGYNQBH-RTBURBONSA-N 1 0 405.477 3.157 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(-c5ccccc5Cl)nn4)C[C@H]3C2)cn1 ZINC001164768538 721164198 /nfs/dbraw/zinc/16/41/98/721164198.db2.gz LHGRLKZCVHNGDI-ZWKOTPCHSA-N 1 0 408.937 3.489 20 0 HGADRO Cc1nc(-c2ccccn2)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1C ZINC001164880343 721167370 /nfs/dbraw/zinc/16/73/70/721167370.db2.gz WAANWLNKPDVCSZ-NHCUHLMSSA-N 1 0 416.529 3.030 20 0 HGADRO Cc1nc(-c2ccncc2)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1C ZINC001164872533 721167604 /nfs/dbraw/zinc/16/76/04/721167604.db2.gz HJYLABLMZMHGHP-VXKWHMMOSA-N 1 0 416.529 3.030 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nccc(Oc5cccc(F)c5)n4)C[C@H]3C2)cn1 ZINC001164762627 721178808 /nfs/dbraw/zinc/17/88/08/721178808.db2.gz DBEKQAOSKQAYJM-ZWKOTPCHSA-N 1 0 408.481 3.100 20 0 HGADRO CCc1nc(Cl)nc(Cl)c1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866461 721185004 /nfs/dbraw/zinc/18/50/04/721185004.db2.gz AXJJTHLDXBMCGQ-LSDHHAIUSA-N 1 0 408.333 3.221 20 0 HGADRO Cc1cc(OCc2ccccc2)nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164767247 721230454 /nfs/dbraw/zinc/23/04/54/721230454.db2.gz WMDITDSAIXENFQ-VXKWHMMOSA-N 1 0 418.545 3.056 20 0 HGADRO Cc1cc(-c2ccccc2F)nnc1N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164761541 721237411 /nfs/dbraw/zinc/23/74/11/721237411.db2.gz JJLGDCZRBKMTHT-MOPGFXCFSA-N 1 0 406.509 3.283 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4c(F)ccc5c(Cl)ncnc54)C[C@@H]3C2)cn1 ZINC001164764879 721243394 /nfs/dbraw/zinc/24/33/94/721243394.db2.gz QIIOSFGVGYSOLM-CABCVRRESA-N 1 0 400.889 3.114 20 0 HGADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4sccc43)C2)C1 ZINC001164778391 721331720 /nfs/dbraw/zinc/33/17/20/721331720.db2.gz VAYFDLGIZDDHAA-OAQYLSRUSA-N 1 0 413.547 3.415 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc5ccc(Cl)nc5cn4)C3)O2)CC1 ZINC001164886202 721415757 /nfs/dbraw/zinc/41/57/57/721415757.db2.gz ICYZEMWGZOKHPM-PGRDOPGGSA-N 1 0 415.969 3.049 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncc5cc(Cl)ccc5n4)C3)O2)CC1 ZINC001164887200 721416556 /nfs/dbraw/zinc/41/65/56/721416556.db2.gz LJQWWMRZAJWMEC-SIKLNZKXSA-N 1 0 415.969 3.049 20 0 HGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncc5c(Cl)cccc5n4)C3)O2)CC1 ZINC001164888973 721417474 /nfs/dbraw/zinc/41/74/74/721417474.db2.gz PVXOBPDAQUMTGT-VGOFRKELSA-N 1 0 415.969 3.049 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc5c(Cl)ccnc5cn4)C3)O2)CC1 ZINC001164892996 721420982 /nfs/dbraw/zinc/42/09/82/721420982.db2.gz ZUXCSUANCPIBOW-JTSKRJEESA-N 1 0 415.969 3.049 20 0 HGADRO Cc1nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c(Cl)cc1Cl ZINC001164893120 721428570 /nfs/dbraw/zinc/42/85/70/721428570.db2.gz JBWMCRYMTYXGMG-JXFKEZNVSA-N 1 0 413.393 3.462 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)nc(C)n1)CC2 ZINC001164789419 721447924 /nfs/dbraw/zinc/44/79/24/721447924.db2.gz VVXQSLXYCXTTSY-GOSISDBHSA-N 1 0 408.974 3.172 20 0 HGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@@H](C(=O)NCC4CC4)C[C@@H]32)nc1 ZINC001164890843 721459462 /nfs/dbraw/zinc/45/94/62/721459462.db2.gz SSUGUAFZTLFYPH-CLAROIROSA-N 1 0 412.578 3.281 20 0 HGADRO CCc1nc(C)cc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1 ZINC001164791333 721467392 /nfs/dbraw/zinc/46/73/92/721467392.db2.gz XDANIAGEGBEWDS-HXUWFJFHSA-N 1 0 402.583 3.081 20 0 HGADRO c1cn2c(n1)CN(c1ccc(C[NH+]3CCCC3)cn1)C[C@H](COCc1ccccn1)C2 ZINC001164893654 721470031 /nfs/dbraw/zinc/47/00/31/721470031.db2.gz STOXQODPNDSDRD-OAQYLSRUSA-N 1 0 418.545 3.122 20 0 HGADRO Cc1cc(Cl)nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1C(N)=O ZINC001164793196 721490874 /nfs/dbraw/zinc/49/08/74/721490874.db2.gz PDMHAZDSNRJTMJ-UHFFFAOYSA-N 1 0 413.953 3.418 20 0 HGADRO CNC(=O)N[C@H]1CC2(CCN(c3cc(C[NH+](C)C)ccn3)CC2)c2ccc(C)cc21 ZINC001164898746 721493032 /nfs/dbraw/zinc/49/30/32/721493032.db2.gz IELBWKCVJPEMJE-NRFANRHFSA-N 1 0 407.562 3.364 20 0 HGADRO COC(=O)c1cc(Cl)cnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164897065 721513743 /nfs/dbraw/zinc/51/37/43/721513743.db2.gz DMORBQPMIUKFQP-RDJZCZTQSA-N 1 0 405.857 3.003 20 0 HGADRO Cc1nc(Cl)cc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164900719 721519359 /nfs/dbraw/zinc/51/93/59/721519359.db2.gz UIIBTKRANSXKAN-GDBMZVCRSA-N 1 0 412.843 3.464 20 0 HGADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)nc5c4CCCC5)CC[N@@H+]3C2)c1 ZINC001164901342 721520631 /nfs/dbraw/zinc/52/06/31/721520631.db2.gz WPOSTCZNXGKJGG-DOTOQJQBSA-N 1 0 402.901 3.490 20 0 HGADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nccc(-c5cccnc5F)n4)CC[N@@H+]3C2)c1 ZINC001164911096 721545562 /nfs/dbraw/zinc/54/55/62/721545562.db2.gz VOIZYFCDMLNORM-SJLPKXTDSA-N 1 0 409.440 3.159 20 0 HGADRO CC(C)(C)NC(=O)c1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164903473 721545970 /nfs/dbraw/zinc/54/59/70/721545970.db2.gz CWXFKZIINIJVAT-ICSRJNTNSA-N 1 0 412.509 3.091 20 0 HGADRO CCOC(=O)c1cnc2cc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)[nH]cc1-2 ZINC001164908715 721551088 /nfs/dbraw/zinc/55/10/88/721551088.db2.gz QGZZADVWTBGHRX-SJLPKXTDSA-N 1 0 424.476 3.221 20 0 HGADRO COc1cc(OC)c2ncnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1 ZINC001164905452 721566088 /nfs/dbraw/zinc/56/60/88/721566088.db2.gz HNCOROBYWJLBAJ-QFBILLFUSA-N 1 0 424.476 3.128 20 0 HGADRO Cc1cnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1NC1CC1 ZINC001164906310 721582537 /nfs/dbraw/zinc/58/25/37/721582537.db2.gz ZXDZWESYJZVKLI-OAQYLSRUSA-N 1 0 414.504 3.492 20 0 HGADRO Cc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc(-c2ccco2)n1 ZINC001164810803 721582732 /nfs/dbraw/zinc/58/27/32/721582732.db2.gz WFPJQSUCLXTHOI-CNNODRBYSA-N 1 0 405.502 3.308 20 0 HGADRO COc1ccc2nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c(C)nc2c1 ZINC001164811882 721583111 /nfs/dbraw/zinc/58/31/11/721583111.db2.gz YUUMHQSVQGEFAW-VJBWXMMDSA-N 1 0 419.529 3.210 20 0 HGADRO COc1cc(C)c2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2c1 ZINC001164804098 721592046 /nfs/dbraw/zinc/59/20/46/721592046.db2.gz INMVVMJMZHGDBI-FUDKSRODSA-N 1 0 419.529 3.210 20 0 HGADRO FC1(F)CCN(c2nc(Cl)nc(Cl)n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907101 721695587 /nfs/dbraw/zinc/69/55/87/721695587.db2.gz RPSJOJJGYHXFAK-INIZCTEOSA-N 1 0 415.275 3.311 20 0 HGADRO CN(C)c1cc(Cl)nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906462 721708164 /nfs/dbraw/zinc/70/81/64/721708164.db2.gz MBWNJLYKOLLOJQ-IBGZPJMESA-N 1 0 422.911 3.329 20 0 HGADRO COC(=O)c1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncc1C ZINC001164905482 721711911 /nfs/dbraw/zinc/71/19/11/721711911.db2.gz GTQWSTYBVHLELA-OAQYLSRUSA-N 1 0 416.472 3.309 20 0 HGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)nc3ccc(Cl)cc32)CC1 ZINC001165007596 721729972 /nfs/dbraw/zinc/72/99/72/721729972.db2.gz DYQVHLFCLSKKDJ-UHFFFAOYSA-N 1 0 422.360 3.460 20 0 HGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)nc3cc(Cl)ccc32)CC1 ZINC001165011184 721737718 /nfs/dbraw/zinc/73/77/18/721737718.db2.gz PAOMEVIETWVJFB-UHFFFAOYSA-N 1 0 422.360 3.460 20 0 HGADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(CCN(c4cncnc4)C3=O)C2)nc1 ZINC001165020196 721785364 /nfs/dbraw/zinc/78/53/64/721785364.db2.gz NJDVHRIQGCBFNH-URXFXBBRSA-N 1 0 420.561 3.442 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(CCN(c4cncnc4)C3=O)C2)nc1 ZINC001165020194 721785492 /nfs/dbraw/zinc/78/54/92/721785492.db2.gz NJDVHRIQGCBFNH-QPPBQGQZSA-N 1 0 420.561 3.442 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(CN4CCOCC4)cn3)C[C@H]21 ZINC001165017741 721801984 /nfs/dbraw/zinc/80/19/84/721801984.db2.gz AINWXMRYDYSLKV-GMKZXUHWSA-N 1 0 421.589 3.046 20 0 HGADRO CCOC(=O)c1cnc(C)nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025093 721807135 /nfs/dbraw/zinc/80/71/35/721807135.db2.gz NNIAAZKOOBOTMR-YYWHXJBOSA-N 1 0 409.534 3.094 20 0 HGADRO CCOC(=O)c1cnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1C ZINC001165025473 721810464 /nfs/dbraw/zinc/81/04/64/721810464.db2.gz MWVDNYQTEMUXPH-WMQCIHAUSA-N 1 0 409.534 3.094 20 0 HGADRO Cc1cn(-c2ccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)cn1 ZINC001165027139 721818650 /nfs/dbraw/zinc/81/86/50/721818650.db2.gz SKJOLPHPLDKSLP-TYPHKJRUSA-N 1 0 403.534 3.103 20 0 HGADRO CCCNC(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1 ZINC001165030512 721824750 /nfs/dbraw/zinc/82/47/50/721824750.db2.gz ZNMKCWXXAHNPJH-KSEOMHKRSA-N 1 0 407.562 3.353 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCSCC4)ncn3)C[C@H]21 ZINC001165025655 721827880 /nfs/dbraw/zinc/82/78/80/721827880.db2.gz NFDIDNQRUIJKDH-HMXCVIKNSA-N 1 0 424.618 3.162 20 0 HGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc(C)c(NC3CC3)n2)CC1 ZINC001165018358 721837716 /nfs/dbraw/zinc/83/77/16/721837716.db2.gz XWULSTDIIQZUMW-UHFFFAOYSA-N 1 0 411.550 3.477 20 0 HGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2[nH+][n-]c(Cl)c3ncnc2-3)CC1 ZINC001165023431 721841934 /nfs/dbraw/zinc/84/19/34/721841934.db2.gz ZWCSHCNXGVQEQW-UHFFFAOYSA-N 1 0 416.913 3.124 20 0 HGADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccc(C(=O)Nc2cccc(Cl)c2)cn1 ZINC001164933343 721880047 /nfs/dbraw/zinc/88/00/47/721880047.db2.gz MICBUYXZXVUQEF-UXHICEINSA-N 1 0 413.953 3.202 20 0 HGADRO COC(=O)c1ccc2nc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)ncc2c1 ZINC001164955521 722014129 /nfs/dbraw/zinc/01/41/29/722014129.db2.gz VSSIPAUJVNTGQH-UHFFFAOYSA-N 1 0 417.513 3.304 20 0 HGADRO Cc1ccc(-c2nc3c(ncnc3N3CC[NH+](CCc4ccccn4)CC3)o2)cc1 ZINC001165055287 722017804 /nfs/dbraw/zinc/01/78/04/722017804.db2.gz OTMPSPQYSMITOC-UHFFFAOYSA-N 1 0 400.486 3.353 20 0 HGADRO FC(F)(COc1ccc(Cl)nn1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955487 722021931 /nfs/dbraw/zinc/02/19/31/722021931.db2.gz JDNVPDJVRHTIOH-UHFFFAOYSA-N 1 0 423.895 3.485 20 0 HGADRO F[C@H](Oc1ccc(Cl)nc1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963805 722056394 /nfs/dbraw/zinc/05/63/94/722056394.db2.gz LVDBNIPCTHGLHW-FQEVSTJZSA-N 1 0 420.916 3.377 20 0 HGADRO Cc1ccc2nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)ncc2c1 ZINC001164964183 722056688 /nfs/dbraw/zinc/05/66/88/722056688.db2.gz SQBRLKATRHRXOC-UHFFFAOYSA-N 1 0 403.530 3.452 20 0 HGADRO Clc1cnc2c(c1)ncnc2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164964120 722057372 /nfs/dbraw/zinc/05/73/72/722057372.db2.gz RMNUDQUCBDIOBB-UHFFFAOYSA-N 1 0 424.936 3.192 20 0 HGADRO c1coc(-c2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nn2)c1 ZINC001164961588 722060529 /nfs/dbraw/zinc/06/05/29/722060529.db2.gz MIZVIAVCXOIHOY-UHFFFAOYSA-N 1 0 405.502 3.251 20 0 HGADRO CC(C)CNC(=O)c1nc2c(s1)CCN(c1ccc(C[N@H+](C)C3CC3)cn1)CC2 ZINC001164965252 722066691 /nfs/dbraw/zinc/06/66/91/722066691.db2.gz GQRJTWBPWZISKI-UHFFFAOYSA-N 1 0 413.591 3.123 20 0 HGADRO Cc1sc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1C ZINC001164984129 722103647 /nfs/dbraw/zinc/10/36/47/722103647.db2.gz RSZQQNAZBIAHGO-MOPGFXCFSA-N 1 0 409.559 3.430 20 0 HGADRO c1ccc(-c2nccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164984720 722104904 /nfs/dbraw/zinc/10/49/04/722104904.db2.gz UEBFQJKJTJFHRQ-VXKWHMMOSA-N 1 0 401.514 3.266 20 0 HGADRO Clc1nnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c2c1CCCC2 ZINC001164970859 722113146 /nfs/dbraw/zinc/11/31/46/722113146.db2.gz AAQIZFWVPWVFFF-PXNSSMCTSA-N 1 0 413.953 3.131 20 0 HGADRO Fc1ccc(-c2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164971887 722113352 /nfs/dbraw/zinc/11/33/52/722113352.db2.gz DAWSLIUCNQDMNH-NZQKXSOJSA-N 1 0 419.504 3.405 20 0 HGADRO c1ccc2c(c1)[nH]c1ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164976408 722122918 /nfs/dbraw/zinc/12/29/18/722122918.db2.gz LNTWVRFKXNLGLE-RXVVDRJESA-N 1 0 414.513 3.233 20 0 HGADRO COc1ccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc(C)c2c1 ZINC001164981108 722125921 /nfs/dbraw/zinc/12/59/21/722125921.db2.gz SQUMFKIFJJCENS-AUSIDOKSSA-N 1 0 419.529 3.069 20 0 HGADRO COc1ccc2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2c1 ZINC001164975120 722126173 /nfs/dbraw/zinc/12/61/73/722126173.db2.gz JSRICIXEIPKPEU-NZQKXSOJSA-N 1 0 404.514 3.366 20 0 HGADRO c1csc(-c2cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncn2)c1 ZINC001164983333 722144770 /nfs/dbraw/zinc/14/47/70/722144770.db2.gz UGSLUEZKVLDYQW-QUCCMNQESA-N 1 0 407.543 3.327 20 0 HGADRO c1ccc(Cc2nccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164985058 722147095 /nfs/dbraw/zinc/14/70/95/722147095.db2.gz ZATCDMUFLIUBBL-PKTZIBPZSA-N 1 0 415.541 3.190 20 0 HGADRO Fc1ccccc1-c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164977040 722148139 /nfs/dbraw/zinc/14/81/39/722148139.db2.gz IAVBYYPFEVVSOE-CVDCTZTESA-N 1 0 419.504 3.405 20 0 HGADRO CCc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)nc1C ZINC001164977116 722157295 /nfs/dbraw/zinc/15/72/95/722157295.db2.gz XDOOGRVXRNEYKK-IEBWSBKVSA-N 1 0 401.942 3.123 20 0 HGADRO NC(=O)c1cc(F)c(Cl)nc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995606 722196245 /nfs/dbraw/zinc/19/62/45/722196245.db2.gz WBCSTPUGPRIDGU-HXUWFJFHSA-N 1 0 406.864 3.357 20 0 HGADRO COC(=O)CSc1cncc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993732 722210286 /nfs/dbraw/zinc/21/02/86/722210286.db2.gz AFZWXQYORQQWEA-OAQYLSRUSA-N 1 0 416.522 3.126 20 0 HGADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)nc3c1CCCCC3)CCC2 ZINC001165000078 722253057 /nfs/dbraw/zinc/25/30/57/722253057.db2.gz KVFIXGSSXKFHCI-UHFFFAOYSA-N 1 0 418.973 3.084 20 0 HGADRO COc1cc(Br)c(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)cc1O ZINC000494602489 1126094951 /nfs/dbraw/zinc/09/49/51/1126094951.db2.gz PBNOFQBSNZUXRH-CQSZACIVSA-N 1 0 405.292 3.338 20 0 HGADRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000571248579 1126097953 /nfs/dbraw/zinc/09/79/53/1126097953.db2.gz OSBSZHGZWFZYRT-MRXNPFEDSA-N 1 0 401.308 3.031 20 0 HGADRO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+][C@H](CO)Cc1c[nH]c2ccccc12 ZINC000776175684 1126109516 /nfs/dbraw/zinc/10/95/16/1126109516.db2.gz QIEBZQPWLKXQMR-IBGZPJMESA-N 1 0 418.497 3.224 20 0 HGADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cnc(-c3ccccc3F)s2)[C@H](O)C1 ZINC001179402355 1126152238 /nfs/dbraw/zinc/15/22/38/1126152238.db2.gz SGXFILKTHZUUSJ-IAGOWNOFSA-N 1 0 407.511 3.409 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(C(=O)OC(C)C)cc2)cc1OC ZINC001198230396 1126155853 /nfs/dbraw/zinc/15/58/53/1126155853.db2.gz QGCTXQPQXQHCQY-QHCPKHFHSA-N 1 0 401.503 3.352 20 0 HGADRO COC(=O)c1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(OC)c(OC)c2)cc1Cl ZINC001308118091 1126163809 /nfs/dbraw/zinc/16/38/09/1126163809.db2.gz QOODWAHELFDDNN-OAQYLSRUSA-N 1 0 407.894 3.227 20 0 HGADRO CN(C)C(=O)c1cccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC001473641791 1126198320 /nfs/dbraw/zinc/19/83/20/1126198320.db2.gz VTRZPMHHDUNZDL-NRFANRHFSA-N 1 0 417.347 3.161 20 0 HGADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cn(Cc2ccccc2)nn1 ZINC001461673737 1126196300 /nfs/dbraw/zinc/19/63/00/1126196300.db2.gz WHMVBUURNNDQBZ-HXUWFJFHSA-N 1 0 415.335 3.172 20 0 HGADRO COC(=O)c1cccc(C[NH2+][C@@](C)(CO)Cc2ccc(OC)c(OC)c2)c1Cl ZINC001473840059 1126200369 /nfs/dbraw/zinc/20/03/69/1126200369.db2.gz PIQXOHCCFBAASL-OAQYLSRUSA-N 1 0 407.894 3.227 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc3c(c2)OCCCCO3)cc1OC ZINC001474258526 1126204046 /nfs/dbraw/zinc/20/40/46/1126204046.db2.gz YFOOCRGPFRTPKL-HSZRJFAPSA-N 1 0 401.503 3.339 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)cc1OC ZINC001474258086 1126204059 /nfs/dbraw/zinc/20/40/59/1126204059.db2.gz RJYFAKBSFKTZAS-HSZRJFAPSA-N 1 0 413.493 3.171 20 0 HGADRO CC(C)(C)OC(=O)N1CC(c2cc(C[NH2+][C@@](C)(CO)Cc3ccccc3F)on2)C1 ZINC001560953786 1126214240 /nfs/dbraw/zinc/21/42/40/1126214240.db2.gz WNVRURVIYHEELX-JOCHJYFZSA-N 1 0 419.497 3.231 20 0 HGADRO CCc1ccc(NC(=O)C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)cc1 ZINC000328604619 569417625 /nfs/dbraw/zinc/41/76/25/569417625.db2.gz KKIJWUQHADQBJK-UZUQRXQVSA-N 1 0 418.501 3.081 20 0 HGADRO Cc1sc2nc(CN3CCOCC3)nc(N3CCC4(CCCC[NH2+]4)CC3)c2c1C ZINC001164388704 718803240 /nfs/dbraw/zinc/80/32/40/718803240.db2.gz ZXERSNNPWWGZIK-UHFFFAOYSA-N 1 0 415.607 3.253 20 0 HGADRO O=C1CN(C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)CC2(CC[NH2+]CC2)N1 ZINC001164393716 718810055 /nfs/dbraw/zinc/81/00/55/718810055.db2.gz ULNAFIVMOUVZMA-UHFFFAOYSA-N 1 0 424.854 3.144 20 0 HGADRO COc1cccc(-c2cc(C(F)(F)N3CCN4CC[NH2+]C[C@H]4C3)cnc2Cl)c1 ZINC001164400046 718844507 /nfs/dbraw/zinc/84/45/07/718844507.db2.gz OHYIYUDSNQXTAS-INIZCTEOSA-N 1 0 408.880 3.049 20 0 HGADRO CCOC(=O)[C@]12CCO[C@@H]1CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164432024 718974526 /nfs/dbraw/zinc/97/45/26/718974526.db2.gz DUCBTJSQKPIJRF-RDGATRHJSA-N 1 0 421.541 3.188 20 0 HGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN([C@@H](F)Oc1ccc(Cl)nc1)C2 ZINC001164617451 719008710 /nfs/dbraw/zinc/00/87/10/719008710.db2.gz OESSNZHJWPYTDT-ZTNFWEORSA-N 1 0 411.905 3.012 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C)nc4cc(F)ccc43)CC2)CC1 ZINC001164613893 719023809 /nfs/dbraw/zinc/02/38/09/719023809.db2.gz JBRVMXZJZJXGIR-UHFFFAOYSA-N 1 0 400.498 3.321 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4sc5c(c43)CCC5)CC2)CC1 ZINC001164618609 719031324 /nfs/dbraw/zinc/03/13/24/719031324.db2.gz VOMUVYDPFQIBIA-UHFFFAOYSA-N 1 0 414.575 3.424 20 0 HGADRO CCOC(=O)c1cnc(SC)nc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164620924 719053972 /nfs/dbraw/zinc/05/39/72/719053972.db2.gz HJFBVDNSOQFLMN-HKUYNNGSSA-N 1 0 412.559 3.476 20 0 HGADRO CCOC(=O)c1nnc(Cl)cc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164625809 719073821 /nfs/dbraw/zinc/07/38/21/719073821.db2.gz NHLSFVOGJMWHTC-SJLPKXTDSA-N 1 0 400.910 3.408 20 0 HGADRO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164631696 719094627 /nfs/dbraw/zinc/09/46/27/719094627.db2.gz ZCRFENRSUBQYKN-YJBOKZPZSA-N 1 0 420.891 3.480 20 0 HGADRO CCn1nnc2c1[C@H](COC)CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164663069 719360573 /nfs/dbraw/zinc/36/05/73/719360573.db2.gz HUMJKXKGFIHIEX-FQEVSTJZSA-N 1 0 418.545 3.002 20 0 HGADRO CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)nc2Cl)c2c1CC[NH2+]C2 ZINC001164684281 719603574 /nfs/dbraw/zinc/60/35/74/719603574.db2.gz ODIZQJCCIZMANU-UHFFFAOYSA-N 1 0 405.280 3.063 20 0 HGADRO CCOc1ccc(-c2ccc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)nn2)cc1 ZINC001164679570 719646075 /nfs/dbraw/zinc/64/60/75/719646075.db2.gz HGRRCMXUJDMEDX-UHFFFAOYSA-N 1 0 406.534 3.214 20 0 HGADRO CCN(c1ccccc1)c1cc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)ncn1 ZINC001164679474 719647090 /nfs/dbraw/zinc/64/70/90/719647090.db2.gz BURGHJFFDHWDBP-UHFFFAOYSA-N 1 0 405.550 3.306 20 0 HGADRO Cc1ncnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1C ZINC001164680308 719664794 /nfs/dbraw/zinc/66/47/94/719664794.db2.gz FFTDKYXVTMNUBP-FQEVSTJZSA-N 1 0 421.589 3.187 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)nc1 ZINC001164690670 719774788 /nfs/dbraw/zinc/77/47/88/719774788.db2.gz GVYHETYTSDFZSO-BHIFYINESA-N 1 0 405.546 3.403 20 0 HGADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(C(N)=O)c(Cl)cn2)CC3)cs1 ZINC001164692295 719804591 /nfs/dbraw/zinc/80/45/91/719804591.db2.gz MUGJEUXEIZYUHM-UHFFFAOYSA-N 1 0 405.955 3.234 20 0 HGADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2[nH+][n-]c(Cl)c4ncnc2-4)CC3)cs1 ZINC001164693061 719811357 /nfs/dbraw/zinc/81/13/57/719811357.db2.gz PKGAMAXQYYCGPC-UHFFFAOYSA-N 1 0 403.943 3.406 20 0 HGADRO COCc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)nc(-c2ccccc2)n1 ZINC001164810390 720076488 /nfs/dbraw/zinc/07/64/88/720076488.db2.gz LMFCQEQRKIMCOL-OFVILXPXSA-N 1 0 422.573 3.475 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc(C)n1)CC2 ZINC001164710236 720092165 /nfs/dbraw/zinc/09/21/65/720092165.db2.gz HRGIRLMPTUIHEP-SFHVURJKSA-N 1 0 401.942 3.341 20 0 HGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc(C)n1)CC2 ZINC001164710234 720093275 /nfs/dbraw/zinc/09/32/75/720093275.db2.gz HRGIRLMPTUIHEP-GOSISDBHSA-N 1 0 401.942 3.341 20 0 HGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)nc3ccoc31)CC2 ZINC001164710369 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c1ccc(COC[C@@H]2CC[C@@H]3[C@H](CCN3c3ncccc3C[NH+]3CCCC3)O2)nc1 ZINC001164843789 720779712 /nfs/dbraw/zinc/77/97/12/720779712.db2.gz AOXPWPKXCNVCRX-ZRBLBEILSA-N 1 0 408.546 3.416 20 0 HGADRO Clc1ccc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164743854 720816811 /nfs/dbraw/zinc/81/68/11/720816811.db2.gz SWDYZDOPVLPRBB-DJPFJPOOSA-N 1 0 423.952 3.254 20 0 HGADRO COc1ccc2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1 ZINC001164742973 720835426 /nfs/dbraw/zinc/83/54/26/720835426.db2.gz HPVADJSDDKSYCS-ZRCGQRJVSA-N 1 0 418.545 3.214 20 0 HGADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)cc3Cl)CC[C@@H]2C1 ZINC001164857128 720837585 /nfs/dbraw/zinc/83/75/85/720837585.db2.gz XQOGRPJZOMLACV-DOMZBBRYSA-N 1 0 410.292 3.107 20 0 HGADRO COc1ccc2ccnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164741155 720841133 /nfs/dbraw/zinc/84/11/33/720841133.db2.gz DLMMKNISAILCOA-TXTKFYIRSA-N 1 0 418.545 3.214 20 0 HGADRO Fc1cccc2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc12 ZINC001164742383 720841716 /nfs/dbraw/zinc/84/17/16/720841716.db2.gz GEODDBNWWGOUSX-QKNQBKEWSA-N 1 0 406.509 3.345 20 0 HGADRO COc1cccc2c1ccnc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739542 720850830 /nfs/dbraw/zinc/85/08/30/720850830.db2.gz BATQEWWUBFFDRG-CNNODRBYSA-N 1 0 418.545 3.214 20 0 HGADRO Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(-c2ccco2)n1 ZINC001164751202 720851674 /nfs/dbraw/zinc/85/16/74/720851674.db2.gz QRLMAOUVEKKAED-HSALFYBXSA-N 1 0 419.533 3.016 20 0 HGADRO c1cc(-c2ccc(N3CC[C@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)cs1 ZINC001164749691 720855351 /nfs/dbraw/zinc/85/53/51/720855351.db2.gz OAWZZMMJLBJXLD-ZJOUEHCJSA-N 1 0 421.574 3.176 20 0 HGADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ncnc4c2CCC4)C3)c1 ZINC001164755317 720874732 /nfs/dbraw/zinc/87/47/32/720874732.db2.gz WMXKITJJPZKTOO-PXDATVDWSA-N 1 0 419.573 3.115 20 0 HGADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ncnc4c2CCC4)C3)c1 ZINC001164755316 720875057 /nfs/dbraw/zinc/87/50/57/720875057.db2.gz WMXKITJJPZKTOO-OFVILXPXSA-N 1 0 419.573 3.115 20 0 HGADRO COCC[N@@H+]1CCO[C@H]2CN(c3nnc(Cl)c4ccc(Cl)cc43)CC[C@@H]2C1 ZINC001164863771 720884007 /nfs/dbraw/zinc/88/40/07/720884007.db2.gz UDZKADSRGOVHDJ-DYVFJYSZSA-N 1 0 411.333 3.110 20 0 HGADRO O=C(c1cccnc1)N1CCC2(CCN(c3ccc(C[NH+]4CCCC4)cn3)C2)CC1 ZINC001164860210 720894757 /nfs/dbraw/zinc/89/47/57/720894757.db2.gz UHNMQVLUWDAJIF-UHFFFAOYSA-N 1 0 405.546 3.205 20 0 HGADRO C[N@H+](Cc1ccc(N2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)nc1)C1CC1 ZINC001164859386 720894949 /nfs/dbraw/zinc/89/49/49/720894949.db2.gz PGAVLHANJGHSJR-UHFFFAOYSA-N 1 0 405.546 3.204 20 0 HGADRO CCOc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164748467 720911364 /nfs/dbraw/zinc/91/13/64/720911364.db2.gz GESKFSQEZZKDJW-XUZZJYLKSA-N 1 0 423.561 3.025 20 0 HGADRO COC(=O)c1ccc2cnc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)nc2c1 ZINC001164853961 720932601 /nfs/dbraw/zinc/93/26/01/720932601.db2.gz CWIMQEURJLKUIR-OAHLLOKOSA-N 1 0 408.506 3.034 20 0 HGADRO Cc1cc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc2c(Cl)cccc12 ZINC001164750011 720961062 /nfs/dbraw/zinc/96/10/62/720961062.db2.gz IZRUYWWDTPTUAT-UHFFFAOYSA-N 1 0 413.909 3.039 20 0 HGADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccccc3)nc(N(C)C)n1)[C@@H]2C ZINC001164860571 720975147 /nfs/dbraw/zinc/97/51/47/720975147.db2.gz OTFKXDOVQZBQPW-QGZVFWFLSA-N 1 0 420.565 3.223 20 0 HGADRO C[N@H+](Cc1ccc(N2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)nc1)C1CC1 ZINC001164765365 721030856 /nfs/dbraw/zinc/03/08/56/721030856.db2.gz OVGNMPLFJBDSBM-LADGPHEKSA-N 1 0 408.546 3.416 20 0 HGADRO Fc1c(Cl)nccc1C(F)(F)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866265 721050447 /nfs/dbraw/zinc/05/04/47/721050447.db2.gz DJPKINRHZFXSOA-CABCVRRESA-N 1 0 412.843 3.294 20 0 HGADRO CSc1nc2sccc2c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164765634 721082971 /nfs/dbraw/zinc/08/29/71/721082971.db2.gz JFEIPAWHINZPLE-GJZGRUSLSA-N 1 0 400.577 3.105 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)nc5ccc(F)cc54)C[C@H]3C2)cn1 ZINC001164771199 721084574 /nfs/dbraw/zinc/08/45/74/721084574.db2.gz ROEOECVOWDPORR-LSDHHAIUSA-N 1 0 400.889 3.114 20 0 HGADRO Cc1ccc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1Cl ZINC001164864864 721094531 /nfs/dbraw/zinc/09/45/31/721094531.db2.gz GYMICPDKXIIZHU-IAGOWNOFSA-N 1 0 408.880 3.463 20 0 HGADRO Cc1cccc(-c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)c1 ZINC001164878973 721146856 /nfs/dbraw/zinc/14/68/56/721146856.db2.gz RDGAAKFPKNMLNH-YADHBBJMSA-N 1 0 401.514 3.327 20 0 HGADRO COc1cccc(-c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)c1 ZINC001164874453 721147774 /nfs/dbraw/zinc/14/77/74/721147774.db2.gz KAVLYCLGXKQUAQ-RBBKRZOGSA-N 1 0 417.513 3.027 20 0 HGADRO Fc1ccccc1-c1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164877635 721162738 /nfs/dbraw/zinc/16/27/38/721162738.db2.gz PJPGKZHWGYNQBH-RBUKOAKNSA-N 1 0 405.477 3.157 20 0 HGADRO CCOC(=O)c1cc2ccccc2nc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164773904 721164000 /nfs/dbraw/zinc/16/40/00/721164000.db2.gz YFZLVEIGZGDTEG-VQTJNVASSA-N 1 0 419.529 3.103 20 0 HGADRO CCOC(=O)c1cc2ccccc2nc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164773902 721165135 /nfs/dbraw/zinc/16/51/35/721165135.db2.gz YFZLVEIGZGDTEG-PMACEKPBSA-N 1 0 419.529 3.103 20 0 HGADRO CSc1ccc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164878635 721180312 /nfs/dbraw/zinc/18/03/12/721180312.db2.gz QTWPWRHSLOSFGB-MSOLQXFVSA-N 1 0 407.543 3.226 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(F)cc5ncnc(Cl)c54)C[C@@H]3C2)cn1 ZINC001164772347 721181116 /nfs/dbraw/zinc/18/11/16/721181116.db2.gz SQBGDNAVBMXQDL-GJZGRUSLSA-N 1 0 400.889 3.114 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(-c5cccc(Cl)c5)ncn4)C[C@@H]3C2)cn1 ZINC001164773855 721209137 /nfs/dbraw/zinc/20/91/37/721209137.db2.gz XMCHNJGYTSENCQ-OALUTQOASA-N 1 0 408.937 3.489 20 0 HGADRO Cc1c(Cl)nc(CC(C)C)nc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164763941 721234185 /nfs/dbraw/zinc/23/41/85/721234185.db2.gz OHBMFIUUECDXRR-ZWKOTPCHSA-N 1 0 402.974 3.329 20 0 HGADRO Cc1cc(-c2ccccc2F)nnc1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164761545 721237098 /nfs/dbraw/zinc/23/70/98/721237098.db2.gz JJLGDCZRBKMTHT-RTBURBONSA-N 1 0 406.509 3.283 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccnc(CSc5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164769861 721238643 /nfs/dbraw/zinc/23/86/43/721238643.db2.gz ZWFPFABCCCHRLV-UXHICEINSA-N 1 0 420.586 3.461 20 0 HGADRO Cc1cnc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc1-c1ccccc1F ZINC001164762502 721239004 /nfs/dbraw/zinc/23/90/04/721239004.db2.gz LASHFJIZMPGZBA-MOPGFXCFSA-N 1 0 406.509 3.283 20 0 HGADRO C[NH+](C)Cc1ccnc(N2CC[C@@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)c1 ZINC001164878093 721258595 /nfs/dbraw/zinc/25/85/95/721258595.db2.gz SCSWKJQIZGQMAF-ZJSXRUAMSA-N 1 0 408.546 3.091 20 0 HGADRO Cc1cccc(N2CCC[C@@]3(C2)CN(c2cccc(N4CC[NH+](C)CC4)n2)CCO3)c1 ZINC001164774524 721304833 /nfs/dbraw/zinc/30/48/33/721304833.db2.gz DZIVKSWTPBQPAB-RUZDIDTESA-N 1 0 421.589 3.018 20 0 HGADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@@H]2OCC[C@H]2[C@H](C(=O)NCc2cccnc2)C1 ZINC001164877438 721305795 /nfs/dbraw/zinc/30/57/95/721305795.db2.gz ITUKUPMWOJJDOR-OTWHNJEPSA-N 1 0 414.937 3.018 20 0 HGADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4ncccc4n3)C2)C1 ZINC001164779046 721347284 /nfs/dbraw/zinc/34/72/84/721347284.db2.gz PNYFAVGLLAHRNR-HSZRJFAPSA-N 1 0 407.518 3.354 20 0 HGADRO CCOc1cc[nH+]c(N2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)c1 ZINC001164777728 721349745 /nfs/dbraw/zinc/34/97/45/721349745.db2.gz HPQQSARCJACFNB-JOCHJYFZSA-N 1 0 400.523 3.204 20 0 HGADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[C@]3(CC(=O)N(c4cnn(C)c4)C3)C2)nc1 ZINC001164886599 721373656 /nfs/dbraw/zinc/37/36/56/721373656.db2.gz MOEBWCDFPYGWAK-URXFXBBRSA-N 1 0 422.577 3.386 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(Cl)nc5ncccc45)C3)O2)CC1 ZINC001164883638 721405532 /nfs/dbraw/zinc/40/55/32/721405532.db2.gz BOVPFPHBAYSCDK-HTAPYJJXSA-N 1 0 415.969 3.049 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5ncccc45)C3)O2)CC1 ZINC001164883639 721406009 /nfs/dbraw/zinc/40/60/09/721406009.db2.gz BOVPFPHBAYSCDK-JTSKRJEESA-N 1 0 415.969 3.049 20 0 HGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)cc(C(C)(C)C)n4)C3)O2)CC1 ZINC001164891479 721428623 /nfs/dbraw/zinc/42/86/23/721428623.db2.gz GOFXMQANDFLIIK-VGSWGCGISA-N 1 0 422.017 3.193 20 0 HGADRO COc1cccc2c1ccnc2N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164896208 721439869 /nfs/dbraw/zinc/43/98/69/721439869.db2.gz RBYHSBRQSHEKSW-NTKDMRAZSA-N 1 0 410.562 3.009 20 0 HGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3ccccc31)CC2 ZINC001164788677 721451398 /nfs/dbraw/zinc/45/13/98/721451398.db2.gz SMIIJBMUTNVQSH-FQEVSTJZSA-N 1 0 410.562 3.364 20 0 HGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@@H](C(=O)NCC4CC4)C[C@H]32)nc1 ZINC001164890846 721459365 /nfs/dbraw/zinc/45/93/65/721459365.db2.gz SSUGUAFZTLFYPH-YUMYIRISSA-N 1 0 412.578 3.281 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)cc(SC)n1)CC2 ZINC001164786865 721459813 /nfs/dbraw/zinc/45/98/13/721459813.db2.gz QBJRIGIJZOYHRP-LJQANCHMSA-N 1 0 420.623 3.241 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc3ncsc31)CC2 ZINC001164785509 721464181 /nfs/dbraw/zinc/46/41/81/721464181.db2.gz LVRXORYLIBOGBW-GOSISDBHSA-N 1 0 416.591 3.425 20 0 HGADRO c1cn2c(n1)CN(c1ncccc1C[NH+]1CCCC1)C[C@@H](COCc1ccccn1)C2 ZINC001164891705 721470240 /nfs/dbraw/zinc/47/02/40/721470240.db2.gz NRZQIYBWUCFSPA-FQEVSTJZSA-N 1 0 418.545 3.122 20 0 HGADRO O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2c1ccc(C[NH+]2CCCC2)cn1 ZINC001164893993 721475736 /nfs/dbraw/zinc/47/57/36/721475736.db2.gz LOIKJSNPIJAHPT-DEOSSOPVSA-N 1 0 405.546 3.234 20 0 HGADRO COC(=O)c1cc(OC)cnc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164793012 721493427 /nfs/dbraw/zinc/49/34/27/721493427.db2.gz ZCKZBFCGUFPZQO-UHFFFAOYSA-N 1 0 410.518 3.153 20 0 HGADRO COC(=O)c1cnc(Cl)cc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900262 721511163 /nfs/dbraw/zinc/51/11/63/721511163.db2.gz PGBGVPIUZUOMIM-ZBFHGGJFSA-N 1 0 405.857 3.003 20 0 HGADRO CCOC(=O)/C=C/c1cccnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164902234 721513899 /nfs/dbraw/zinc/51/38/99/721513899.db2.gz ZZNUCMNUTZVNKX-PYVMNZDGSA-N 1 0 411.477 3.139 20 0 HGADRO CC1(C)OCc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164901686 721524530 /nfs/dbraw/zinc/52/45/30/721524530.db2.gz XYJNBCYZAIHITI-HOCLYGCPSA-N 1 0 418.900 3.376 20 0 HGADRO Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc(Cl)n1 ZINC001164900061 721526372 /nfs/dbraw/zinc/52/63/72/721526372.db2.gz NQMQYYMTWWTZDC-HOCLYGCPSA-N 1 0 412.843 3.464 20 0 HGADRO CCOCc1cnc(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909834 721549075 /nfs/dbraw/zinc/54/90/75/721549075.db2.gz SBNRSBCRPUFTNZ-FUHWJXTLSA-N 1 0 406.889 3.148 20 0 HGADRO CCOCc1cnc(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909837 721549256 /nfs/dbraw/zinc/54/92/56/721549256.db2.gz SBNRSBCRPUFTNZ-WMZOPIPTSA-N 1 0 406.889 3.148 20 0 HGADRO Nc1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cnc1Cl ZINC001164911410 721550976 /nfs/dbraw/zinc/55/09/76/721550976.db2.gz WQVJDNVXPDLMSF-ZBFHGGJFSA-N 1 0 412.843 3.343 20 0 HGADRO CCCSc1ncnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1OC ZINC001164904207 721566647 /nfs/dbraw/zinc/56/66/47/721566647.db2.gz DJIZPNFNEZLRPQ-AEFFLSMTSA-N 1 0 418.538 3.468 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)nc1 ZINC001164903414 721580836 /nfs/dbraw/zinc/58/08/36/721580836.db2.gz NENITASZZFGSGW-ZJSXRUAMSA-N 1 0 422.577 3.294 20 0 HGADRO CCN(C)c1ccnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164902975 721582936 /nfs/dbraw/zinc/58/29/36/721582936.db2.gz KCXUCWILZLLYFU-FQEVSTJZSA-N 1 0 402.493 3.065 20 0 HGADRO Cc1cccc2c1nc(Cl)nc2N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165011154 721735167 /nfs/dbraw/zinc/73/51/67/721735167.db2.gz NOQULOHAJVVROP-UHFFFAOYSA-N 1 0 401.942 3.115 20 0 HGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(-c3ccccc3Cl)nn2)CC1 ZINC001165010903 721741257 /nfs/dbraw/zinc/74/12/57/721741257.db2.gz QPLGHYTUSFBMOX-UHFFFAOYSA-N 1 0 413.953 3.320 20 0 HGADRO COC(=O)c1cc(OC)cnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165024049 721807307 /nfs/dbraw/zinc/80/73/07/721807307.db2.gz KVVSHVDYPNKTGG-ORYQWCPZSA-N 1 0 410.518 3.009 20 0 HGADRO Cn1cnc2c1nc(Cl)nc2N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165018581 721808583 /nfs/dbraw/zinc/80/85/83/721808583.db2.gz BJVLVNUMQUAHTK-USXIJHARSA-N 1 0 411.941 3.149 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH]c4cc(=O)[nH]c-4cc3Cl)C[C@@H]21 ZINC001165022719 721813980 /nfs/dbraw/zinc/81/39/80/721813980.db2.gz GWBKJKNKYLBXIH-DKICVRJWSA-N 1 0 411.937 3.362 20 0 HGADRO COC(=O)c1cc2c[nH]c(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)cc-2n1 ZINC001165025524 721820319 /nfs/dbraw/zinc/82/03/19/721820319.db2.gz NEBBWKQOTVVWCK-XWFZLUIHSA-N 1 0 419.529 3.481 20 0 HGADRO CCCNC(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1 ZINC001165030510 721824608 /nfs/dbraw/zinc/82/46/08/721824608.db2.gz ZNMKCWXXAHNPJH-ILWGZMRPSA-N 1 0 407.562 3.353 20 0 HGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc(Cl)n2)CC1 ZINC001165021555 721839267 /nfs/dbraw/zinc/83/92/67/721839267.db2.gz OEYVFJPSRUOVFM-UHFFFAOYSA-N 1 0 412.321 3.296 20 0 HGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc3nc(C)n(C)c3n2)CC1 ZINC001165020217 721841331 /nfs/dbraw/zinc/84/13/31/721841331.db2.gz GEVIUBFELMIDLB-UHFFFAOYSA-N 1 0 409.534 3.395 20 0 HGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)[C@H](F)Oc2ccc(Cl)nn2)CC1 ZINC001165031225 721845038 /nfs/dbraw/zinc/84/50/38/721845038.db2.gz YUBDFPKTGLGZAV-FQEVSTJZSA-N 1 0 424.904 3.376 20 0 HGADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1nc2ccsc2c(Cl)n1 ZINC001164931803 721854578 /nfs/dbraw/zinc/85/45/78/721854578.db2.gz WFRDSIXHXANPRH-CHWSQXEVSA-N 1 0 401.914 3.104 20 0 HGADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(-c2ccccc2)nc(-c2ccccc2)n1 ZINC001164924074 721861399 /nfs/dbraw/zinc/86/13/99/721861399.db2.gz BSHYMQJXEVDRHB-FCHUYYIVSA-N 1 0 414.557 3.420 20 0 HGADRO O=C(Nc1cccc(Cl)c1)c1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)nc1 ZINC000674061585 721919151 /nfs/dbraw/zinc/91/91/51/721919151.db2.gz ARKPTBJWADCVHN-IBGZPJMESA-N 1 0 400.910 3.288 20 0 HGADRO COC(=O)c1cnc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c(F)c1 ZINC001164940925 721925154 /nfs/dbraw/zinc/92/51/54/721925154.db2.gz WRENMRIOZYKCIT-UHFFFAOYSA-N 1 0 413.493 3.187 20 0 HGADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncnc5c4[C@H](C)CC(=O)N5)CC3)C2)cc1 ZINC001164940429 721926584 /nfs/dbraw/zinc/92/65/84/721926584.db2.gz QFNZEBNPNYXGMA-GOSISDBHSA-N 1 0 421.545 3.102 20 0 HGADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc5ccc(=O)n(C)c5n4)CC3)C2)cc1 ZINC001164940479 721926852 /nfs/dbraw/zinc/92/68/52/721926852.db2.gz RHZSQUXQYVHMQP-UHFFFAOYSA-N 1 0 418.541 3.113 20 0 HGADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cncc(N5CCCC5)n4)CC3)C2)cc1 ZINC001164938596 721929082 /nfs/dbraw/zinc/92/90/82/721929082.db2.gz ADPGGDFLTKBNAZ-UHFFFAOYSA-N 1 0 407.562 3.257 20 0 HGADRO C[NH+](C)CC1CCN(c2ncccc2C(=O)NCCSCc2ccco2)CC1 ZINC001165044730 721947310 /nfs/dbraw/zinc/94/73/10/721947310.db2.gz HSIYKEAWSZIHIO-UHFFFAOYSA-N 1 0 402.564 3.116 20 0 HGADRO CCOC(=O)c1cnc(N2CCCC[C@H]2CC[NH+]2CCCC2)cc1C(=O)OCC ZINC001165051163 721979048 /nfs/dbraw/zinc/97/90/48/721979048.db2.gz ZSIZLXIDNQVUOB-KRWDZBQOSA-N 1 0 403.523 3.280 20 0 HGADRO O=C(c1ccccc1)n1ccc2ccc(N3CC[NH+](CCc4ccccn4)CC3)nc21 ZINC001165055821 722016814 /nfs/dbraw/zinc/01/68/14/722016814.db2.gz LRJURRRGKYMGRK-UHFFFAOYSA-N 1 0 411.509 3.485 20 0 HGADRO CSc1nc(Cl)ncc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164964081 722055753 /nfs/dbraw/zinc/05/57/53/722055753.db2.gz RHMRMANJTWWGNI-UHFFFAOYSA-N 1 0 419.982 3.366 20 0 HGADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@H]2CN(S(C)(=O)=O)c3ccccc3[C@H]2C1 ZINC001164975052 722090987 /nfs/dbraw/zinc/09/09/87/722090987.db2.gz QCMLIWHDHQQKHZ-YOEHRIQHSA-N 1 0 405.951 3.465 20 0 HGADRO CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(c3ncccc3C[NH+]3CCCC3)C[C@@H]21 ZINC001164982829 722098323 /nfs/dbraw/zinc/09/83/23/722098323.db2.gz PGFSUGFPUQYNCQ-FDFHNCONSA-N 1 0 405.546 3.223 20 0 HGADRO FC(F)(c1cccc(Cl)n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983406 722100584 /nfs/dbraw/zinc/10/05/84/722100584.db2.gz PYVPYQKCSVHCAO-DLBZAZTESA-N 1 0 408.880 3.402 20 0 HGADRO Clc1cccc2ncc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc12 ZINC001164983502 722106717 /nfs/dbraw/zinc/10/67/17/722106717.db2.gz QNJNVRYHKZSXRX-PXNSSMCTSA-N 1 0 409.921 3.406 20 0 HGADRO COc1cccc2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164980104 722106984 /nfs/dbraw/zinc/10/69/84/722106984.db2.gz JIRMJFIYVWCAKC-IRLDBZIGSA-N 1 0 404.514 3.366 20 0 HGADRO COc1cccc2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164980110 722107060 /nfs/dbraw/zinc/10/70/60/722107060.db2.gz JIRMJFIYVWCAKC-UNMCSNQZSA-N 1 0 404.514 3.366 20 0 HGADRO c1csc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)c1 ZINC001164982535 722128049 /nfs/dbraw/zinc/12/80/49/722128049.db2.gz WYVWJZFNFRZKMS-QUCCMNQESA-N 1 0 407.543 3.327 20 0 HGADRO c1csc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)c1 ZINC001164982529 722128162 /nfs/dbraw/zinc/12/81/62/722128162.db2.gz WYVWJZFNFRZKMS-AZUAARDMSA-N 1 0 407.543 3.327 20 0 HGADRO CC(C)n1ccc2c1ncnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978882 722136435 /nfs/dbraw/zinc/13/64/35/722136435.db2.gz KHWUULDLYNDEBK-CTNGQTDRSA-N 1 0 406.534 3.135 20 0 HGADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ccc(-c5ccncc5)cn4)CC[C@@H]3C2)c1 ZINC001164985474 722138170 /nfs/dbraw/zinc/13/81/70/722138170.db2.gz ZPGZUAMJQJUGRO-PKTZIBPZSA-N 1 0 401.514 3.266 20 0 HGADRO Fc1ccc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164976123 722145706 /nfs/dbraw/zinc/14/57/06/722145706.db2.gz HGYTXDWOHLMPFG-OFNKIYASSA-N 1 0 419.504 3.405 20 0 HGADRO Cc1csc2nc(C)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164984574 722148072 /nfs/dbraw/zinc/14/80/72/722148072.db2.gz XCVLXYQBZOZZEU-RTBURBONSA-N 1 0 409.559 3.430 20 0 HGADRO Fc1ccc(-c2cncc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164971141 722154041 /nfs/dbraw/zinc/15/40/41/722154041.db2.gz AUDYYFGZWJBRDS-OFNKIYASSA-N 1 0 419.504 3.405 20 0 HGADRO COC(=O)c1cc(Cl)nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993607 722192403 /nfs/dbraw/zinc/19/24/03/722192403.db2.gz FHQFWGIWKZAHDY-FQEVSTJZSA-N 1 0 404.873 3.301 20 0 HGADRO O=C1NCc2c1cc(Cl)nc2N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995506 722203848 /nfs/dbraw/zinc/20/38/48/722203848.db2.gz NVYBQWXXQRVICE-OAQYLSRUSA-N 1 0 400.885 3.362 20 0 HGADRO O=c1ccccn1-c1nccc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164996261 722209026 /nfs/dbraw/zinc/20/90/26/722209026.db2.gz SIIVTXRHRZKJHU-QHCPKHFHSA-N 1 0 405.477 3.012 20 0 HGADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)cc(C(C)(C)C)n1)CCC2 ZINC001165002713 722255410 /nfs/dbraw/zinc/25/54/10/722255410.db2.gz TWFAFRINJAQTRY-UHFFFAOYSA-N 1 0 406.962 3.113 20 0 HGADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1 ZINC000466910695 1126093993 /nfs/dbraw/zinc/09/39/93/1126093993.db2.gz WQLYRKJMJGFOJQ-NRFANRHFSA-N 1 0 407.514 3.250 20 0 HGADRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2ccc(Br)cc2N2CCOCC2)c1 ZINC000473998913 1126094765 /nfs/dbraw/zinc/09/47/65/1126094765.db2.gz GDBOJPTYZQGPSV-FQEVSTJZSA-N 1 0 419.363 3.287 20 0 HGADRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000537297406 1126096880 /nfs/dbraw/zinc/09/68/80/1126096880.db2.gz YWEXCVSTCJEHLT-CQSZACIVSA-N 1 0 403.276 3.352 20 0 HGADRO OC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000500240946 1126095330 /nfs/dbraw/zinc/09/53/30/1126095330.db2.gz CDNNAWLDJQCWSF-INIZCTEOSA-N 1 0 410.283 3.443 20 0 HGADRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000523842214 1126095909 /nfs/dbraw/zinc/09/59/09/1126095909.db2.gz NEBBZLCKEZENGB-OAHLLOKOSA-N 1 0 417.303 3.395 20 0 HGADRO Cc1cccc(C[C@H](CO)[NH2+]Cc2cn(-c3ccccc3Br)nn2)c1 ZINC000567798271 1126097936 /nfs/dbraw/zinc/09/79/36/1126097936.db2.gz GEGBZNQELYLCRS-MRXNPFEDSA-N 1 0 401.308 3.031 20 0 HGADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2cc(C3CN(C(=O)OC(C)(C)C)C3)no2)cc1 ZINC001180897709 1126152871 /nfs/dbraw/zinc/15/28/71/1126152871.db2.gz YNUWGZOGRFMVLC-GOSISDBHSA-N 1 0 401.507 3.011 20 0 HGADRO OC[C@@]1([NH2+]Cc2nncn2-c2ccccc2)CCc2cc(Br)ccc2C1 ZINC001307927655 1126162045 /nfs/dbraw/zinc/16/20/45/1126162045.db2.gz FDWXXQCNLSTALS-HXUWFJFHSA-N 1 0 413.319 3.039 20 0 HGADRO COC(=O)c1cccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC001307928961 1126162051 /nfs/dbraw/zinc/16/20/51/1126162051.db2.gz PWEPJSRHTIFCIO-HXUWFJFHSA-N 1 0 404.304 3.245 20 0 HGADRO COc1nsc(C[NH2+][C@](C)(CO)Cc2ccc(OC)cc2)c1Br ZINC001461737140 1126196835 /nfs/dbraw/zinc/19/68/35/1126196835.db2.gz ULZDRCWBTLCRSU-INIZCTEOSA-N 1 0 401.326 3.006 20 0 HGADRO CCc1oc(C(=O)OC)cc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC001473641122 1126198086 /nfs/dbraw/zinc/19/80/86/1126198086.db2.gz GADZFLSIOLPNOM-HXUWFJFHSA-N 1 0 422.319 3.401 20 0 HGADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cn(-c2ccc(F)cc2)nn1 ZINC001461672320 1126195996 /nfs/dbraw/zinc/19/59/96/1126195996.db2.gz OKVBDTGCDPJDRX-LJQANCHMSA-N 1 0 419.298 3.252 20 0 HGADRO COc1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cc(OC)c1O ZINC001560930897 1126214314 /nfs/dbraw/zinc/21/43/14/1126214314.db2.gz RRHOPGXVUUXYOV-FQEVSTJZSA-N 1 0 422.319 3.182 20 0 HGADRO COc1ccc(-c2nc3ccc(Cl)cc3c(N3CCN4CC[NH2+]C[C@H]4C3)n2)cc1 ZINC001164398625 718835659 /nfs/dbraw/zinc/83/56/59/718835659.db2.gz IBEAZSDVXQKONL-KRWDZBQOSA-N 1 0 409.921 3.053 20 0 HGADRO FC(F)(Oc1ccc2nc(Cl)c(Cl)nc2c1)N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001164404301 718862398 /nfs/dbraw/zinc/86/23/98/718862398.db2.gz PGPFUHLIFQCAMH-QMTHXVAHSA-N 1 0 419.259 3.176 20 0 HGADRO FC(F)(Oc1ccc2nc(Cl)c(Cl)nc2c1)N1CCO[C@@H]2C[NH2+]CC[C@H]2C1 ZINC001164404297 718862584 /nfs/dbraw/zinc/86/25/84/718862584.db2.gz PGPFUHLIFQCAMH-IINYFYTJSA-N 1 0 419.259 3.176 20 0 HGADRO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001164407673 718862938 /nfs/dbraw/zinc/86/29/38/718862938.db2.gz ZOXBTDCZCPLMQJ-QMTHXVAHSA-N 1 0 403.260 3.296 20 0 HGADRO Cc1cccc(-c2cc(C(F)(F)N3CCO[C@H]4C[NH2+]CC[C@@H]4C3)c(Cl)nn2)c1 ZINC001164410399 718865964 /nfs/dbraw/zinc/86/59/64/718865964.db2.gz ZTWBIJGORRFNDQ-QAPCUYQASA-N 1 0 408.880 3.465 20 0 HGADRO CN(C)c1cc(Cl)nc(C(F)(F)N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)n1 ZINC001164414684 718880324 /nfs/dbraw/zinc/88/03/24/718880324.db2.gz WDAGCIDSKINNDT-SNVBAGLBSA-N 1 0 413.822 3.394 20 0 HGADRO COc1nc(Cl)ncc1C(F)(F)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164413529 718880980 /nfs/dbraw/zinc/88/09/80/718880980.db2.gz JMCMATQCWYHHHZ-JTQLQIEISA-N 1 0 400.779 3.337 20 0 HGADRO FC(F)(c1ccc2ccc(Cl)nc2c1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164415392 718884889 /nfs/dbraw/zinc/88/48/89/718884889.db2.gz HYYFRDBHYCLURZ-UHFFFAOYSA-N 1 0 404.852 3.124 20 0 HGADRO CS(=O)(=O)c1cc(C(F)(F)N2CCCC[C@H]2C2CC[NH2+]CC2)cnc1Cl ZINC001164420422 718893714 /nfs/dbraw/zinc/89/37/14/718893714.db2.gz LUCPLSOAYQXXFM-AWEZNQCLSA-N 1 0 407.914 3.042 20 0 HGADRO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164423774 718916715 /nfs/dbraw/zinc/91/67/15/718916715.db2.gz IYMBEXJYVARMOU-AWEZNQCLSA-N 1 0 416.683 3.172 20 0 HGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cccnc1Cl)C2 ZINC001164614111 719006623 /nfs/dbraw/zinc/00/66/23/719006623.db2.gz CLBXJVKDYZVWRO-DNVCBOLYSA-N 1 0 413.896 3.429 20 0 HGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cccnc1Cl)C2 ZINC001164614112 719006658 /nfs/dbraw/zinc/00/66/58/719006658.db2.gz CLBXJVKDYZVWRO-HNAYVOBHSA-N 1 0 413.896 3.429 20 0 HGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN([C@@H](F)Oc1cccc(Cl)n1)C2 ZINC001164616500 719008696 /nfs/dbraw/zinc/00/86/96/719008696.db2.gz KVQMRZBRVHGWGU-DJKXOVBDSA-N 1 0 411.905 3.012 20 0 HGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(-c2ccccc2)nnc1Cl ZINC001164616512 719017462 /nfs/dbraw/zinc/01/74/62/719017462.db2.gz KWNJSIDAHLAONH-RRQGHBQHSA-N 1 0 422.863 3.072 20 0 HGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)c(-c2cccnc2)c1 ZINC001164617203 719018322 /nfs/dbraw/zinc/01/83/22/719018322.db2.gz NAQUXSIDZBOMPA-COXVUDFISA-N 1 0 422.863 3.072 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)Oc3ccc(Cl)nc3)CC2)CC1 ZINC001164614171 719024637 /nfs/dbraw/zinc/02/46/37/719024637.db2.gz OOKOHOIZEKITBD-UHFFFAOYSA-N 1 0 417.884 3.404 20 0 HGADRO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)n1 ZINC001164618299 719044339 /nfs/dbraw/zinc/04/43/39/719044339.db2.gz ALGMYJUDZWRNBP-DNVCBOLYSA-N 1 0 407.896 3.324 20 0 HGADRO CCCNC(=O)c1cc(Cl)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164621881 719114240 /nfs/dbraw/zinc/11/42/40/719114240.db2.gz BJZRICKTUAKMRS-HKUYNNGSSA-N 1 0 413.953 3.371 20 0 HGADRO Cc1sc2nc(CN3CCCC3)nc(N3C[C@H](CF)[C@@H](C4([NH3+])CC4)C3)c2c1C ZINC001164625819 719122390 /nfs/dbraw/zinc/12/23/90/719122390.db2.gz YZYVTIBUGVWPJQ-HOTGVXAUSA-N 1 0 403.571 3.417 20 0 HGADRO C[N@@H+]1CCO[C@H]2CN(c3cc(-c4ccc(Cl)nc4)ccc3C3OCCCO3)C[C@H]21 ZINC001164666473 719422084 /nfs/dbraw/zinc/42/20/84/719422084.db2.gz CVTLCPRRTIXQSD-UXHICEINSA-N 1 0 415.921 3.357 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C(=O)N3CCCC3)C[C@@H]3OCC[C@@H]32)nc1 ZINC001164679414 719545555 /nfs/dbraw/zinc/54/55/55/719545555.db2.gz ZXSOFUJDVQGBFG-CZYKHXBRSA-N 1 0 412.578 3.235 20 0 HGADRO CC(C)N(C)Cc1nn(-c2nc(-c3ccccn3)nc3ccccc32)c2c1CC[NH2+]C2 ZINC001164680550 719638083 /nfs/dbraw/zinc/63/80/83/719638083.db2.gz VRZXXMBKOTUQGJ-UHFFFAOYSA-N 1 0 413.529 3.363 20 0 HGADRO Cc1cc(C)nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164684593 719656716 /nfs/dbraw/zinc/65/67/16/719656716.db2.gz YEVSVJGLILRQOK-HXUWFJFHSA-N 1 0 421.589 3.187 20 0 HGADRO CCc1cnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1 ZINC001164684317 719657198 /nfs/dbraw/zinc/65/71/98/719657198.db2.gz WUOWFPBBVXHAIO-FQEVSTJZSA-N 1 0 421.589 3.132 20 0 HGADRO Cc1cnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(C)n1 ZINC001164680243 719657548 /nfs/dbraw/zinc/65/75/48/719657548.db2.gz DKKFKCTUMZBYHF-HXUWFJFHSA-N 1 0 421.589 3.187 20 0 HGADRO Cc1cc(C)c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nn1 ZINC001164680348 719663465 /nfs/dbraw/zinc/66/34/65/719663465.db2.gz FUNKSOKGRNZBDH-FQEVSTJZSA-N 1 0 421.589 3.187 20 0 HGADRO CCc1nccnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681797 719666506 /nfs/dbraw/zinc/66/65/06/719666506.db2.gz NPMYBCATQFDGIF-LJQANCHMSA-N 1 0 421.589 3.132 20 0 HGADRO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)nc4c2ncn4C)CC3)cs1 ZINC001164692565 719807440 /nfs/dbraw/zinc/80/74/40/719807440.db2.gz JILWIGGWBIBQQQ-UHFFFAOYSA-N 1 0 417.970 3.417 20 0 HGADRO COC(=O)c1cnc(Cl)cc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164697490 719886703 /nfs/dbraw/zinc/88/67/03/719886703.db2.gz CCBUIRWUZXOXBX-UHFFFAOYSA-N 1 0 421.950 3.455 20 0 HGADRO COC(=O)c1cc(Cl)cnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694997 719887692 /nfs/dbraw/zinc/88/76/92/719887692.db2.gz IXXAJDKYEOCBDD-UHFFFAOYSA-N 1 0 421.950 3.455 20 0 HGADRO CC1(C)OC(=O)c2c1ccnc2N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694750 719891589 /nfs/dbraw/zinc/89/15/89/719891589.db2.gz FBLFUMIGVCVCNC-UHFFFAOYSA-N 1 0 413.543 3.420 20 0 HGADRO COC(=O)c1nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)ccc1Cl ZINC001164695289 719892035 /nfs/dbraw/zinc/89/20/35/719892035.db2.gz LNYFXHGIHPEGQD-UHFFFAOYSA-N 1 0 421.950 3.455 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(NC(=O)OC(C)(C)C)ncn1)C2 ZINC001164811277 720085582 /nfs/dbraw/zinc/08/55/82/720085582.db2.gz NSHVRDXIHJHETB-VGSWGCGISA-N 1 0 417.554 3.008 20 0 HGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)nc3[nH]ccc31)CC2 ZINC001164711034 720105108 /nfs/dbraw/zinc/10/51/08/720105108.db2.gz NISMWUXJJVUSRO-LJQANCHMSA-N 1 0 406.534 3.169 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(C)c1NC(C)=O)CC2 ZINC001164713937 720136984 /nfs/dbraw/zinc/13/69/84/720136984.db2.gz UGAXUGYFLIAHQJ-NRFANRHFSA-N 1 0 423.561 3.251 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(C)nnc1Cl)C2 ZINC001164817070 720173001 /nfs/dbraw/zinc/17/30/01/720173001.db2.gz NUQADMGMQPNIOU-YJBOKZPZSA-N 1 0 400.901 3.168 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C(=O)OC)cc3ccccc31)C2 ZINC001164817826 720173642 /nfs/dbraw/zinc/17/36/42/720173642.db2.gz QIMZVQISFWHHCO-NTKDMRAZSA-N 1 0 409.530 3.206 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(-c3ccccc3OC)ncn1)C2 ZINC001164812421 720175674 /nfs/dbraw/zinc/17/56/74/720175674.db2.gz ANSUWJVSZXZLEZ-CYFREDJKSA-N 1 0 408.546 3.337 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccncc3)nc3c1CCC3)C2 ZINC001164816676 720185222 /nfs/dbraw/zinc/18/52/22/720185222.db2.gz MAXMQSMYMWRVPH-NLFFAJNJSA-N 1 0 419.573 3.212 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3c(cc(OC)cc3OC)n1)C2 ZINC001164815198 720194943 /nfs/dbraw/zinc/19/49/43/720194943.db2.gz WWCCQCFEMAOHKJ-UUOWRZLLSA-N 1 0 411.546 3.437 20 0 HGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cnc3cccc(Cl)c3n1)CCC2 ZINC001164814654 720215874 /nfs/dbraw/zinc/21/58/74/720215874.db2.gz VTLYLYHFUYNEAG-UHFFFAOYSA-N 1 0 412.925 3.090 20 0 HGADRO Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(C[NH+]3CCCC3)cn2)cs1 ZINC001164816271 720258587 /nfs/dbraw/zinc/25/85/87/720258587.db2.gz HIPKJRDRIYLJBM-PMACEKPBSA-N 1 0 411.575 3.212 20 0 HGADRO Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(C[N@@H+](C)C3CC3)cn2)cs1 ZINC001164816039 720259877 /nfs/dbraw/zinc/25/98/77/720259877.db2.gz FOTVAYGUBNJJJB-VQTJNVASSA-N 1 0 411.575 3.211 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2ccc(Cl)nc2)CC1 ZINC001164820506 720284874 /nfs/dbraw/zinc/28/48/74/720284874.db2.gz VUJYPFTVYRKHSV-SJORKVTESA-N 1 0 412.912 3.191 20 0 HGADRO Cc1sc2ncnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1C ZINC001164818936 720298938 /nfs/dbraw/zinc/29/89/38/720298938.db2.gz BUYSAORQPIJAES-MSOLQXFVSA-N 1 0 413.591 3.220 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nccc3c(Cl)ccnc32)CC1 ZINC001164819977 720300311 /nfs/dbraw/zinc/30/03/11/720300311.db2.gz FTOIEMBPKRHQRJ-OALUTQOASA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)cc3[nH]ccc32)CC1 ZINC001164819643 720303364 /nfs/dbraw/zinc/30/33/64/720303364.db2.gz FKWOTGHEXTVZFF-ZWKOTPCHSA-N 1 0 401.942 3.128 20 0 HGADRO COc1ccc2nc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ccc2c1 ZINC001164819178 720310387 /nfs/dbraw/zinc/31/03/87/720310387.db2.gz CTEFMDKFDRIMLB-FCHUYYIVSA-N 1 0 408.546 3.155 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncc3cc(Cl)ccc3n2)CC1 ZINC001164832424 720322464 /nfs/dbraw/zinc/32/24/64/720322464.db2.gz TVZAYTNDKXXZQT-PMACEKPBSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncc3cc(Cl)ccc3n2)CC1 ZINC001164832429 720322524 /nfs/dbraw/zinc/32/25/24/720322524.db2.gz TVZAYTNDKXXZQT-WOJBJXKFSA-N 1 0 413.953 3.195 20 0 HGADRO Cc1ccc(-c2ccc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)cc1 ZINC001164824276 720335956 /nfs/dbraw/zinc/33/59/56/720335956.db2.gz HUGSAROFTPXARR-GOTSBHOMSA-N 1 0 419.573 3.364 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(-c3ccccc3)ncn2)CC1 ZINC001164822202 720336003 /nfs/dbraw/zinc/33/60/03/720336003.db2.gz CDPTWRJPOLBGES-VXKWHMMOSA-N 1 0 405.546 3.055 20 0 HGADRO CCOC(=O)c1c(C)cc(Cl)nc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725925 720364233 /nfs/dbraw/zinc/36/42/33/720364233.db2.gz OEPBAFHQYGLFHE-IRXDYDNUSA-N 1 0 400.910 3.468 20 0 HGADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1C ZINC001164724327 720379939 /nfs/dbraw/zinc/37/99/39/720379939.db2.gz JQVYYQVBSPPGHD-QZTJIDSGSA-N 1 0 400.910 3.468 20 0 HGADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(Cl)ncc2OCc2ccccc2)C1 ZINC001164729346 720516541 /nfs/dbraw/zinc/51/65/41/720516541.db2.gz 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O=C1NC[C@H](c2ccccc2)C12CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164873762 721317862 /nfs/dbraw/zinc/31/78/62/721317862.db2.gz BKQKWXWTEJIDDM-OAQYLSRUSA-N 1 0 420.557 3.056 20 0 HGADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)nc4ccoc43)C2)C1 ZINC001164778067 721332284 /nfs/dbraw/zinc/33/22/84/721332284.db2.gz UGCNCYIRRXZIBJ-JOCHJYFZSA-N 1 0 411.506 3.255 20 0 HGADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nncc4ccccc43)C2)C1 ZINC001164776827 721342102 /nfs/dbraw/zinc/34/21/02/721342102.db2.gz DDSICLMHAVTURL-HSZRJFAPSA-N 1 0 407.518 3.354 20 0 HGADRO COc1cnc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c(C)c1 ZINC001164779032 721349002 /nfs/dbraw/zinc/34/90/02/721349002.db2.gz PCELVPLBTSWXNG-JOCHJYFZSA-N 1 0 400.523 3.122 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3OCC(=O)N(c4cccc(F)c4)[C@@H]3C2)nc1 ZINC001164883227 721367117 /nfs/dbraw/zinc/36/71/17/721367117.db2.gz OINAEMDOLVWHND-YPAWHYETSA-N 1 0 424.520 3.388 20 0 HGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cccnc4Cl)C3)O2)CC1 ZINC001164892143 721381966 /nfs/dbraw/zinc/38/19/66/721381966.db2.gz RVSDXRGNBHZTAN-VQIMIIECSA-N 1 0 414.928 3.045 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccnc(Cl)c4)C3)O2)CC1 ZINC001164885632 721382658 /nfs/dbraw/zinc/38/26/58/721382658.db2.gz CVSHCMBBRZJAEI-PKOBYXMFSA-N 1 0 414.928 3.045 20 0 HGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cnc5cccc(Cl)c5n4)C3)O2)CC1 ZINC001164893561 721394667 /nfs/dbraw/zinc/39/46/67/721394667.db2.gz VCZMRRDXMXWMII-VGSWGCGISA-N 1 0 415.969 3.049 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nccc5cc(Cl)ncc54)C3)O2)CC1 ZINC001164885732 721400381 /nfs/dbraw/zinc/40/03/81/721400381.db2.gz HDBYXSODCAWIDO-PGRDOPGGSA-N 1 0 415.969 3.049 20 0 HGADRO CSc1cc(Cl)ncc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164885242 721404296 /nfs/dbraw/zinc/40/42/96/721404296.db2.gz GIUCPGWHHDAIRZ-UZLBHIALSA-N 1 0 411.015 3.222 20 0 HGADRO COc1ccc2ccnc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2c1 ZINC001164895426 721426886 /nfs/dbraw/zinc/42/68/86/721426886.db2.gz OXBOPXRTFZBOQZ-XUZZJYLKSA-N 1 0 410.562 3.009 20 0 HGADRO Cn1cnc2c1[C@@H](COCc1cccnc1)N(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164782997 721441727 /nfs/dbraw/zinc/44/17/27/721441727.db2.gz KWYOSTAJQFXNEV-JOCHJYFZSA-N 1 0 418.545 3.127 20 0 HGADRO Cc1cc2ncnc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2cc1C ZINC001164890733 721445774 /nfs/dbraw/zinc/44/57/74/721445774.db2.gz DRFITGMZHOVLET-HYBUGGRVSA-N 1 0 409.578 3.012 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc3ncccc31)CC2 ZINC001164785963 721452962 /nfs/dbraw/zinc/45/29/62/721452962.db2.gz KKKKOUHMHPPUQP-HXUWFJFHSA-N 1 0 410.562 3.364 20 0 HGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(Cl)c(C)n1)CC2 ZINC001164790356 721454743 /nfs/dbraw/zinc/45/47/43/721454743.db2.gz YNSHWDRJAXHRLF-SFHVURJKSA-N 1 0 408.974 3.172 20 0 HGADRO CCc1cc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nc(C)n1 ZINC001164787797 721462836 /nfs/dbraw/zinc/46/28/36/721462836.db2.gz SKMVMLKMJNPCFP-NRFANRHFSA-N 1 0 402.583 3.081 20 0 HGADRO CCc1cc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nc(C)n1 ZINC001164787812 721462846 /nfs/dbraw/zinc/46/28/46/721462846.db2.gz SKMVMLKMJNPCFP-OAQYLSRUSA-N 1 0 402.583 3.081 20 0 HGADRO CCOc1cccnc1N1CCC2(C[C@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164791655 721470962 /nfs/dbraw/zinc/47/09/62/721470962.db2.gz XIDRROUAESMBGR-HXUWFJFHSA-N 1 0 403.567 3.214 20 0 HGADRO CCOC(=O)c1cnc(C)nc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164791928 721493131 /nfs/dbraw/zinc/49/31/31/721493131.db2.gz FDKJPLHWZLGHSC-UHFFFAOYSA-N 1 0 409.534 3.238 20 0 HGADRO CCOC(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164901057 721508975 /nfs/dbraw/zinc/50/89/75/721508975.db2.gz WFPFUHCKFXFWDS-WMZOPIPTSA-N 1 0 419.884 3.393 20 0 HGADRO Cc1cc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc2c(Cl)cccc12 ZINC001164798500 721517414 /nfs/dbraw/zinc/51/74/14/721517414.db2.gz VALSFNBKDTUMCT-UHFFFAOYSA-N 1 0 410.953 3.161 20 0 HGADRO COc1cc2ncnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2cc1OC ZINC001164900992 721519533 /nfs/dbraw/zinc/51/95/33/721519533.db2.gz VLUKZVTXLUJMKL-SJLPKXTDSA-N 1 0 424.476 3.128 20 0 HGADRO COC(=O)c1cc(Cl)cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164901428 721520460 /nfs/dbraw/zinc/52/04/60/721520460.db2.gz XEWUYJGOTCXPSQ-RDJZCZTQSA-N 1 0 405.857 3.003 20 0 HGADRO Cc1cccc2cc(Cl)nc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c12 ZINC001164796468 721521999 /nfs/dbraw/zinc/52/19/99/721521999.db2.gz YYLJZYGEYJPOQO-UHFFFAOYSA-N 1 0 410.953 3.161 20 0 HGADRO CSc1nc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2s1 ZINC001164909328 721545262 /nfs/dbraw/zinc/54/52/62/721545262.db2.gz RLAYZLUSALVLOV-ZFWWWQNUSA-N 1 0 417.535 3.289 20 0 HGADRO CCOC(=O)c1nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1Cl ZINC001164902981 721547956 /nfs/dbraw/zinc/54/79/56/721547956.db2.gz BPDYEWRHLJPOAB-RDJZCZTQSA-N 1 0 419.884 3.393 20 0 HGADRO C=Cc1nc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1OC ZINC001164907204 721550712 /nfs/dbraw/zinc/55/07/12/721550712.db2.gz MQSSCENYHDSCIY-ZBFHGGJFSA-N 1 0 404.873 3.263 20 0 HGADRO CCCSc1ncnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1OC ZINC001164904214 721566568 /nfs/dbraw/zinc/56/65/68/721566568.db2.gz DJIZPNFNEZLRPQ-WMZOPIPTSA-N 1 0 418.538 3.468 20 0 HGADRO COc1ccc2nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c(C)nc2c1 ZINC001164811883 721582688 /nfs/dbraw/zinc/58/26/88/721582688.db2.gz YUUMHQSVQGEFAW-XPWALMASSA-N 1 0 419.529 3.210 20 0 HGADRO FC1(F)CCN(c2nc(Cl)nc3nc[nH]c32)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906699 721584246 /nfs/dbraw/zinc/58/42/46/721584246.db2.gz OWZXOEPIMNKYIW-GOSISDBHSA-N 1 0 419.867 3.139 20 0 HGADRO COC(=O)c1cccnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907989 721587399 /nfs/dbraw/zinc/58/73/99/721587399.db2.gz XTCGEHOAXGGWKE-FQEVSTJZSA-N 1 0 402.445 3.001 20 0 HGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3c4c([nH]c32)CCC4)[C@@H]2CCCO[C@@H]12 ZINC001164808282 721589475 /nfs/dbraw/zinc/58/94/75/721589475.db2.gz QGQQQYQTYPONKM-MQSCRBSSSA-N 1 0 403.530 3.315 20 0 HGADRO COc1cc(C)c2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2c1 ZINC001164804101 721591940 /nfs/dbraw/zinc/59/19/40/721591940.db2.gz INMVVMJMZHGDBI-QNWVGRARSA-N 1 0 419.529 3.210 20 0 HGADRO COC(=O)c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1C ZINC001164908005 721700433 /nfs/dbraw/zinc/70/04/33/721700433.db2.gz XXQBRCXUMWFTIR-NRFANRHFSA-N 1 0 416.472 3.309 20 0 HGADRO Cc1noc2ncnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c12 ZINC001164913844 721732150 /nfs/dbraw/zinc/73/21/50/721732150.db2.gz YWRREVMKWRDXOL-LJQANCHMSA-N 1 0 400.433 3.059 20 0 HGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)nc3c(Cl)cccc32)CC1 ZINC001165010162 721735368 /nfs/dbraw/zinc/73/53/68/721735368.db2.gz DBWKHAVPWZDSGP-UHFFFAOYSA-N 1 0 422.360 3.460 20 0 HGADRO Cc1nc2c3ccccc3oc2c(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)n1 ZINC001165009320 721741158 /nfs/dbraw/zinc/74/11/58/721741158.db2.gz BKLHWCGZPFROEG-UHFFFAOYSA-N 1 0 407.518 3.207 20 0 HGADRO COc1ccc2c(cc(Cl)nc2N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c1 ZINC001165009566 721741780 /nfs/dbraw/zinc/74/17/80/721741780.db2.gz FTBQRZHJNYRSLE-UHFFFAOYSA-N 1 0 416.953 3.420 20 0 HGADRO CCOc1ccc(-c2ccc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)nn2)cc1 ZINC001165012811 721746918 /nfs/dbraw/zinc/74/69/18/721746918.db2.gz OBNDCWUCKUCYMS-UHFFFAOYSA-N 1 0 423.561 3.065 20 0 HGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(C(F)F)nc3ccccc32)CC1 ZINC001165010502 721747350 /nfs/dbraw/zinc/74/73/50/721747350.db2.gz NDCCQMHIUMYQCN-UHFFFAOYSA-N 1 0 403.477 3.090 20 0 HGADRO CN(C)c1nc(Cl)cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165028849 721799845 /nfs/dbraw/zinc/79/98/45/721799845.db2.gz ZXANTJRALVYHCV-RYQLBKOJSA-N 1 0 400.958 3.328 20 0 HGADRO COC(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165028549 721800900 /nfs/dbraw/zinc/80/09/00/721800900.db2.gz ZGXJLTWEKZPDDF-LESCRADOSA-N 1 0 415.925 3.049 20 0 HGADRO CCCNC(=O)c1cccnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165023269 721823509 /nfs/dbraw/zinc/82/35/09/721823509.db2.gz IMXAZXIJSKTLAU-VLCRHTCISA-N 1 0 407.562 3.353 20 0 HGADRO Cc1nc(CN2CCOC[C@]3(CN(c4[nH+]c(C)cc5ccccc54)CCO3)C2)cs1 ZINC001164923615 721830162 /nfs/dbraw/zinc/83/01/62/721830162.db2.gz SYRYADDWHJHVBO-HSZRJFAPSA-N 1 0 424.570 3.416 20 0 HGADRO COC(=O)c1cc(F)cnc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165019310 721838222 /nfs/dbraw/zinc/83/82/22/721838222.db2.gz CRCAIBWREASNML-UHFFFAOYSA-N 1 0 417.481 3.125 20 0 HGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(C(=O)NC3CC3)cn2)CC1 ZINC001165022788 721841611 /nfs/dbraw/zinc/84/16/11/721841611.db2.gz UOWORZZRQSSUFZ-UHFFFAOYSA-N 1 0 424.545 3.092 20 0 HGADRO COc1cnc2c(c1)ncnc2N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165020530 721843131 /nfs/dbraw/zinc/84/31/31/721843131.db2.gz FLJKCAKHMMPDGA-UHFFFAOYSA-N 1 0 423.517 3.151 20 0 HGADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nnc(Cc2ccccc2)c2ccccc21 ZINC001164929406 721877117 /nfs/dbraw/zinc/87/71/17/721877117.db2.gz BGASTMWZDYQDSI-ZEQRLZLVSA-N 1 0 401.558 3.435 20 0 HGADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1cnc(Cl)nc1Oc1cccc(F)c1 ZINC001164931846 721888471 /nfs/dbraw/zinc/88/84/71/721888471.db2.gz GGYIWJVSYKWUKJ-IAGOWNOFSA-N 1 0 405.905 3.276 20 0 HGADRO COc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1 ZINC001164929651 721888610 /nfs/dbraw/zinc/88/86/10/721888610.db2.gz BXDWRBCPILXAAR-ZWKOTPCHSA-N 1 0 417.941 3.146 20 0 HGADRO COc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)cc1 ZINC001164929638 721888647 /nfs/dbraw/zinc/88/86/47/721888647.db2.gz BXDWRBCPILXAAR-MSOLQXFVSA-N 1 0 417.941 3.146 20 0 HGADRO c1cc2nc(N3CCCC[C@@H]3CC[NH+]3CCCC3)nc(N3CCOCC3)c2s1 ZINC001165046123 721966756 /nfs/dbraw/zinc/96/67/56/721966756.db2.gz BPOBSTZFBSHUGR-QGZVFWFLSA-N 1 0 401.580 3.373 20 0 HGADRO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCCC[C@@H]3CC[NH+]3CCCC3)nn2)C1 ZINC001165047395 721975886 /nfs/dbraw/zinc/97/58/86/721975886.db2.gz GBCHIFBQYLWTJB-WOJBJXKFSA-N 1 0 415.582 3.101 20 0 HGADRO COC(=O)c1cc(Cl)cnc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164954313 722013508 /nfs/dbraw/zinc/01/35/08/722013508.db2.gz KHTYTXQADVIIPV-UHFFFAOYSA-N 1 0 400.910 3.409 20 0 HGADRO FC(F)(c1cccnc1Cl)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981254 722100229 /nfs/dbraw/zinc/10/02/29/722100229.db2.gz KSMZERJUJOJRAY-WMZOPIPTSA-N 1 0 408.880 3.402 20 0 HGADRO FC(F)(c1cccc(Cl)n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983408 722100577 /nfs/dbraw/zinc/10/05/77/722100577.db2.gz PYVPYQKCSVHCAO-IRXDYDNUSA-N 1 0 408.880 3.402 20 0 HGADRO Cc1cc(Cl)nc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977250 722101736 /nfs/dbraw/zinc/10/17/36/722101736.db2.gz FKEPTOAWBBMNOF-IRXDYDNUSA-N 1 0 423.895 3.106 20 0 HGADRO Cc1sc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1C ZINC001164984132 722104007 /nfs/dbraw/zinc/10/40/07/722104007.db2.gz RSZQQNAZBIAHGO-RBUKOAKNSA-N 1 0 409.559 3.430 20 0 HGADRO Clc1nc2c(c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)CCCC2 ZINC001164977274 722106130 /nfs/dbraw/zinc/10/61/30/722106130.db2.gz FNLXKACDCJSQBV-YLJYHZDGSA-N 1 0 413.953 3.131 20 0 HGADRO Clc1nnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c2sccc21 ZINC001164979315 722107083 /nfs/dbraw/zinc/10/70/83/722107083.db2.gz IAEUIFVZASTYSY-RDJZCZTQSA-N 1 0 415.950 3.467 20 0 HGADRO FC(F)(Oc1cccnc1Cl)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164986644 722107092 /nfs/dbraw/zinc/10/70/92/722107092.db2.gz ZYSVZHBNYWUGSX-AEFFLSMTSA-N 1 0 424.879 3.282 20 0 HGADRO FC(F)(Oc1cccc(Cl)n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982069 722108774 /nfs/dbraw/zinc/10/87/74/722108774.db2.gz VVPZVEQZUOYGIM-IAGOWNOFSA-N 1 0 424.879 3.282 20 0 HGADRO Clc1ccc2c(c1)ncnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982144 722110257 /nfs/dbraw/zinc/11/02/57/722110257.db2.gz WCEXXTCXCGMNLJ-UWJYYQICSA-N 1 0 409.921 3.406 20 0 HGADRO CCc1c(Cl)nnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1CC ZINC001164980412 722120049 /nfs/dbraw/zinc/12/00/49/722120049.db2.gz RDBQBYGFHZKXFF-PXNSSMCTSA-N 1 0 415.969 3.377 20 0 HGADRO CSc1nc2ccccc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164980579 722123586 /nfs/dbraw/zinc/12/35/86/722123586.db2.gz RWFXNBCZRWHGTK-RXVVDRJESA-N 1 0 421.570 3.474 20 0 HGADRO c1ccc2c(c1)[nH]c1ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164976403 722123595 /nfs/dbraw/zinc/12/35/95/722123595.db2.gz LNTWVRFKXNLGLE-NQIIRXRSSA-N 1 0 414.513 3.233 20 0 HGADRO Clc1ccnc2cnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cc12 ZINC001164978367 722127175 /nfs/dbraw/zinc/12/71/75/722127175.db2.gz OMNLZPWNSWMVHC-LAUBAEHRSA-N 1 0 409.921 3.406 20 0 HGADRO CC(C)(C)c1nc2[nH]ccc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164975198 722135781 /nfs/dbraw/zinc/13/57/81/722135781.db2.gz FQVPZPGWTKNJKV-AZUAARDMSA-N 1 0 420.561 3.378 20 0 HGADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cncc(OCC5CCCC5)n4)CC[C@H]3C2)c1 ZINC001164971078 722154411 /nfs/dbraw/zinc/15/44/11/722154411.db2.gz ALJRQKOBIMEPRI-VXKWHMMOSA-N 1 0 423.561 3.168 20 0 HGADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cncc(OCC5CCCC5)n4)CC[C@H]3C2)c1 ZINC001164971074 722154635 /nfs/dbraw/zinc/15/46/35/722154635.db2.gz ALJRQKOBIMEPRI-FCHUYYIVSA-N 1 0 423.561 3.168 20 0 HGADRO Clc1nc2c(nc1N1CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C1)CCCC2 ZINC001164975277 722156821 /nfs/dbraw/zinc/15/68/21/722156821.db2.gz QUKISTNIOSXOIB-FXAWDEMLSA-N 1 0 413.953 3.131 20 0 HGADRO COC(=O)c1nc2cnccc2c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164996694 722202981 /nfs/dbraw/zinc/20/29/81/722202981.db2.gz VNMWPYLZJHNOMO-HSZRJFAPSA-N 1 0 421.476 3.195 20 0 HGADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCn3cnc(CNC(C)=O)c3C2)nc1 ZINC001164999751 722228392 /nfs/dbraw/zinc/22/83/92/722228392.db2.gz OVMKAFNFNZCARH-NRFANRHFSA-N 1 0 410.566 3.262 20 0 HGADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cc(Cl)ncc1F)CCC2 ZINC001165002342 722253430 /nfs/dbraw/zinc/25/34/30/722253430.db2.gz NVVVAFIFHKODHA-UHFFFAOYSA-N 1 0 417.863 3.104 20 0 HGADRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cccc(I)c1 ZINC000551536771 1126096985 /nfs/dbraw/zinc/09/69/85/1126096985.db2.gz VDZIMMJJAYWNLS-INIZCTEOSA-N 1 0 406.267 3.466 20 0 HGADRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1ncc(I)s1 ZINC001179397070 1126152186 /nfs/dbraw/zinc/15/21/86/1126152186.db2.gz NNRSKYMCEGWSIE-CQSZACIVSA-N 1 0 422.719 3.484 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2csc(-c3ccc(C(N)=O)cc3)n2)cc1 ZINC001198218135 1126154614 /nfs/dbraw/zinc/15/46/14/1126154614.db2.gz CVNSUKWGMHWQQB-JOCHJYFZSA-N 1 0 411.527 3.001 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cn(-c3ccc(F)cc3Cl)nn2)cc1 ZINC001203581751 1126159075 /nfs/dbraw/zinc/15/90/75/1126159075.db2.gz WHXUWLRXCMFJAC-FQEVSTJZSA-N 1 0 404.873 3.152 20 0 HGADRO COC(=O)COc1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)cc1 ZINC001308887225 1126168528 /nfs/dbraw/zinc/16/85/28/1126168528.db2.gz UQGFSNIRRXRNIN-HXUWFJFHSA-N 1 0 422.319 3.084 20 0 HGADRO CCOC(=O)c1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)[nH]c1C ZINC001462429897 1126197591 /nfs/dbraw/zinc/19/75/91/1126197591.db2.gz RKHRBYAVNGWLIB-HXUWFJFHSA-N 1 0 421.335 3.272 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cnc(Br)c(C)c2)cc1OC ZINC001473839480 1126199850 /nfs/dbraw/zinc/19/98/50/1126199850.db2.gz BVLMHMIYZAQUSC-IBGZPJMESA-N 1 0 409.324 3.253 20 0 HGADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cn(-c3ccccc3Br)nn2)cc1C ZINC001474169407 1126202349 /nfs/dbraw/zinc/20/23/49/1126202349.db2.gz GLBUQUWCMHZLGH-KRWDZBQOSA-N 1 0 415.335 3.340 20 0 HGADRO COc1cc2c(cc1C[NH2+][C@](C)(CO)Cc1ccc(Br)cc1)OCO2 ZINC001474227522 1126203549 /nfs/dbraw/zinc/20/35/49/1126203549.db2.gz YGMQOLVIQOVGAE-IBGZPJMESA-N 1 0 408.292 3.270 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nccc(C)c2Br)cc1OC ZINC001474257730 1126204081 /nfs/dbraw/zinc/20/40/81/1126204081.db2.gz MKMGVPLFLUNUJR-LJQANCHMSA-N 1 0 409.324 3.253 20 0 HGADRO OC[C@]1([NH2+]Cc2cc(-c3ccccn3)n[nH]2)CCc2cc(Br)ccc2C1 ZINC001560532114 1126211675 /nfs/dbraw/zinc/21/16/75/1126211675.db2.gz FCBVEARJYLBJNM-FQEVSTJZSA-N 1 0 413.319 3.244 20 0 HGADRO O=c1cc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)nc2sccn21 ZINC000328602223 569416491 /nfs/dbraw/zinc/41/64/91/569416491.db2.gz AWGCHNWGXAXLMX-OPAMFIHVSA-N 1 0 419.510 3.360 20 0 HGADRO Cc1sc2nc(CN3CCCCC3)nc(N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)c2c1C ZINC001164408976 718864447 /nfs/dbraw/zinc/86/44/47/718864447.db2.gz OHSUNBDSYZVVPH-QZTJIDSGSA-N 1 0 415.607 3.109 20 0 HGADRO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CCO[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001164410270 718864657 /nfs/dbraw/zinc/86/46/57/718864657.db2.gz YPURFFOCHUDNTP-RISCZKNCSA-N 1 0 400.882 3.218 20 0 HGADRO Cc1cccc(-c2cc(C(F)(F)N3CCO[C@H]4C[NH2+]CC[C@H]4C3)c(Cl)nn2)c1 ZINC001164410401 718865958 /nfs/dbraw/zinc/86/59/58/718865958.db2.gz ZTWBIJGORRFNDQ-YJBOKZPZSA-N 1 0 408.880 3.465 20 0 HGADRO F[C@]1(N2CC[C@H]3[NH2+]CC[C@@H]32)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164410991 718875071 /nfs/dbraw/zinc/87/50/71/718875071.db2.gz KVLWKYNTHOASHN-GUXCAODWSA-N 1 0 422.335 3.358 20 0 HGADRO NC(=O)c1cc(Cl)ncc1C(F)(F)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164414469 718880895 /nfs/dbraw/zinc/88/08/95/718880895.db2.gz UWTPCPFBRZGEAL-LLVKDONJSA-N 1 0 412.790 3.032 20 0 HGADRO NC(=O)c1cc(Cl)ncc1C(F)(F)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164414470 718880903 /nfs/dbraw/zinc/88/09/03/718880903.db2.gz UWTPCPFBRZGEAL-NSHDSACASA-N 1 0 412.790 3.032 20 0 HGADRO CS(=O)(=O)c1cc(C(F)(F)N2CCCC[C@@H]2C2CC[NH2+]CC2)cnc1Cl ZINC001164420424 718893845 /nfs/dbraw/zinc/89/38/45/718893845.db2.gz LUCPLSOAYQXXFM-CQSZACIVSA-N 1 0 407.914 3.042 20 0 HGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(Cl)c(Cl)nc1Cl ZINC001164617785 719016620 /nfs/dbraw/zinc/01/66/20/719016620.db2.gz PPAOHVUWGZTLED-SWPVVBRQSA-N 1 0 414.667 3.317 20 0 HGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(Cl)c(Cl)nc1Cl ZINC001164617784 719016822 /nfs/dbraw/zinc/01/68/22/719016822.db2.gz PPAOHVUWGZTLED-PPKCKEKNSA-N 1 0 414.667 3.317 20 0 HGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2ccccc2)nnc1Cl ZINC001164616511 719017270 /nfs/dbraw/zinc/01/72/70/719017270.db2.gz KWNJSIDAHLAONH-JQFCIGGWSA-N 1 0 422.863 3.072 20 0 HGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc(-c2ccc(Cl)nn2)cc1 ZINC001164619641 719018568 /nfs/dbraw/zinc/01/85/68/719018568.db2.gz WMEDQTWJQYWVRE-JQFCIGGWSA-N 1 0 422.863 3.072 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4sc(CC)cc43)CC2)CC1 ZINC001164614616 719025990 /nfs/dbraw/zinc/02/59/90/719025990.db2.gz VHYGIGCOOLOHTH-UHFFFAOYSA-N 1 0 402.564 3.498 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(C)nnc3Cl)CC2)CC1 ZINC001164616429 719032231 /nfs/dbraw/zinc/03/22/31/719032231.db2.gz BRSQWIDXEOZXKA-UHFFFAOYSA-N 1 0 416.900 3.227 20 0 HGADRO CCOC(=O)Cc1c(Cl)ncnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164623602 719079725 /nfs/dbraw/zinc/07/97/25/719079725.db2.gz JWPLDNVHRDBNBA-MJGOQNOKSA-N 1 0 414.937 3.336 20 0 HGADRO CON(C)C(=O)c1cc(Cl)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164620428 719080895 /nfs/dbraw/zinc/08/08/95/719080895.db2.gz DXPATNRNIPTXCG-PKOBYXMFSA-N 1 0 414.937 3.469 20 0 HGADRO CON(C)C(=O)c1cc(Cl)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164620426 719081024 /nfs/dbraw/zinc/08/10/24/719081024.db2.gz DXPATNRNIPTXCG-IEBWSBKVSA-N 1 0 414.937 3.469 20 0 HGADRO O=C1NCc2c1c(N1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)nc(Cl)c2F ZINC001164628947 719082453 /nfs/dbraw/zinc/08/24/53/719082453.db2.gz VDGQHSCHZLZOMW-HOCLYGCPSA-N 1 0 400.885 3.218 20 0 HGADRO O=C(NC1CCCC1)c1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nn1 ZINC001164629603 719103593 /nfs/dbraw/zinc/10/35/93/719103593.db2.gz SUAZLCYBIQCOMB-UGKGYDQZSA-N 1 0 405.546 3.250 20 0 HGADRO [NH3+]C1([C@@H]2CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)C[C@@H]2CF)CC1 ZINC001164622731 719116925 /nfs/dbraw/zinc/11/69/25/719116925.db2.gz CIDCOVAXKDHPIS-DOTOQJQBSA-N 1 0 401.917 3.159 20 0 HGADRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1cc(-c2ccc(C(C)C)cc2)nnc1Cl ZINC001164630279 719138591 /nfs/dbraw/zinc/13/85/91/719138591.db2.gz IIWWDFMGFUUKHG-KRWDZBQOSA-N 1 0 424.879 3.417 20 0 HGADRO CC(C)c1nccc([C@@H]2C[C@H]3CCN(c4cccc(N5CC[NH+](C)CC5)n4)C[C@@H]3O2)n1 ZINC001164638264 719261557 /nfs/dbraw/zinc/26/15/57/719261557.db2.gz OEMFDMGDVXMSDB-GIVPXCGWSA-N 1 0 422.577 3.103 20 0 HGADRO CC(C)c1nccc([C@@H]2C[C@@H]3CCN(c4cccc(N5CC[NH+](C)CC5)n4)C[C@@H]3O2)n1 ZINC001164638268 719261773 /nfs/dbraw/zinc/26/17/73/719261773.db2.gz OEMFDMGDVXMSDB-JBACZVJFSA-N 1 0 422.577 3.103 20 0 HGADRO C[NH+]1CCN(c2cccc(N3C[C@@H]4O[C@@H](c5nc(C6CC6)cs5)C[C@H]4C3)n2)CC1 ZINC001164645562 719289428 /nfs/dbraw/zinc/28/94/28/719289428.db2.gz KMJKKDFAPAVUGT-UHOSZYNNSA-N 1 0 411.575 3.134 20 0 HGADRO COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2CC[NH+](CC(C)C)CC2)n1 ZINC001164657256 719335755 /nfs/dbraw/zinc/33/57/55/719335755.db2.gz GCWVPICCCRRHMX-NTMALXAHSA-N 1 0 402.539 3.030 20 0 HGADRO CC(C)N(C)Cc1nn(-c2nc(Cl)nc3c(Cl)nccc32)c2c1CC[NH2+]C2 ZINC001164679535 719636503 /nfs/dbraw/zinc/63/65/03/719636503.db2.gz FSJDWMJJTYTTFV-UHFFFAOYSA-N 1 0 406.321 3.003 20 0 HGADRO CC(C)N(C)Cc1nn(-c2ccnc(CSc3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164681365 719650165 /nfs/dbraw/zinc/65/01/65/719650165.db2.gz MMWVMOWKEFRMIZ-UHFFFAOYSA-N 1 0 408.575 3.441 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)cc(C3CCCCC3)n1)CC2 ZINC001164690017 719752401 /nfs/dbraw/zinc/75/24/01/719752401.db2.gz OUEWFHBWRRJAHB-UHFFFAOYSA-N 1 0 405.974 3.359 20 0 HGADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc(Cl)cc2C(N)=O)CC3)cs1 ZINC001164693289 719804708 /nfs/dbraw/zinc/80/47/08/719804708.db2.gz RTCFSQYTRNDTLZ-UHFFFAOYSA-N 1 0 405.955 3.234 20 0 HGADRO CCOC(=O)c1cccnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694651 719886654 /nfs/dbraw/zinc/88/66/54/719886654.db2.gz BRFHBPIQEKBENP-UHFFFAOYSA-N 1 0 401.532 3.191 20 0 HGADRO CCOC(=O)Cc1cccnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694712 719887994 /nfs/dbraw/zinc/88/79/94/719887994.db2.gz CWTJZXPDAAMSSA-UHFFFAOYSA-N 1 0 415.559 3.120 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(C)cc(Cl)n1)C2 ZINC001164808467 720073907 /nfs/dbraw/zinc/07/39/07/720073907.db2.gz HNKACJFYGKLUHU-QAPCUYQASA-N 1 0 400.901 3.168 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nnc(Cl)cc1-c1ccncc1)C2 ZINC001164810861 720081740 /nfs/dbraw/zinc/08/17/40/720081740.db2.gz MBYIYYKWACPODY-PGRDOPGGSA-N 1 0 413.953 3.377 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C(=O)OC(C)(C)C)ccn1)C2 ZINC001164811289 720082335 /nfs/dbraw/zinc/08/23/35/720082335.db2.gz NSLSEFQSRJTTHA-CVDCTZTESA-N 1 0 401.551 3.222 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(NC(=O)OC(C)(C)C)ncn1)C2 ZINC001164811271 720086054 /nfs/dbraw/zinc/08/60/54/720086054.db2.gz NSHVRDXIHJHETB-HTAPYJJXSA-N 1 0 417.554 3.008 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(NC(=O)OC(C)(C)C)ncn1)C2 ZINC001164811275 720086618 /nfs/dbraw/zinc/08/66/18/720086618.db2.gz NSHVRDXIHJHETB-VGOFRKELSA-N 1 0 417.554 3.008 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)cc(Cl)n1)CC2 ZINC001164712695 720095516 /nfs/dbraw/zinc/09/55/16/720095516.db2.gz YCWGOMZSWSISJJ-SFHVURJKSA-N 1 0 401.942 3.341 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc3cc(C(=O)OC)ccc31)C2 ZINC001164811112 720102788 /nfs/dbraw/zinc/10/27/88/720102788.db2.gz LKQZIQSLEWFUJS-HYBUGGRVSA-N 1 0 409.530 3.206 20 0 HGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nnc1C)CC2 ZINC001164710658 720106170 /nfs/dbraw/zinc/10/61/70/720106170.db2.gz KOTWINGKIUXGCF-GOSISDBHSA-N 1 0 401.942 3.341 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nnc1C)CC2 ZINC001164710659 720106522 /nfs/dbraw/zinc/10/65/22/720106522.db2.gz KOTWINGKIUXGCF-SFHVURJKSA-N 1 0 401.942 3.341 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc(Cl)n1)CC2 ZINC001164717415 720107053 /nfs/dbraw/zinc/10/70/53/720107053.db2.gz ORSXJAQFWGHATK-HNNXBMFYSA-N 1 0 423.348 3.081 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc3ccc(OC)nc31)C2 ZINC001164814966 720123170 /nfs/dbraw/zinc/12/31/70/720123170.db2.gz UTUKHQPWVPPNDL-KSFYIVLOSA-N 1 0 416.953 3.477 20 0 HGADRO CCN(CC)c1cc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)ncn1 ZINC001164712258 720129622 /nfs/dbraw/zinc/12/96/22/720129622.db2.gz LZAXOWXZLUYQDK-NRFANRHFSA-N 1 0 424.593 3.225 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)nc3c1CCC3)CC2 ZINC001164711200 720134214 /nfs/dbraw/zinc/13/42/14/720134214.db2.gz FZPRZMMZHCTBBS-FQEVSTJZSA-N 1 0 407.562 3.176 20 0 HGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc(Cl)cc1N)CC2 ZINC001164710473 720136891 /nfs/dbraw/zinc/13/68/91/720136891.db2.gz BREUBIHGSMTENT-QGZVFWFLSA-N 1 0 401.942 3.220 20 0 HGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(C)c1NC(C)=O)CC2 ZINC001164713940 720136964 /nfs/dbraw/zinc/13/69/64/720136964.db2.gz UGAXUGYFLIAHQJ-OAQYLSRUSA-N 1 0 423.561 3.251 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3ccccc3cc1C(=O)OC)C2 ZINC001164815422 720141453 /nfs/dbraw/zinc/14/14/53/720141453.db2.gz 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COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccn3)nc(C)c1C)C2 ZINC001164818683 720183820 /nfs/dbraw/zinc/18/38/20/720183820.db2.gz TZHDHGWBLMUKQO-YKSBVNFPSA-N 1 0 407.562 3.340 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(-c3nc(C4CC4)no3)ccn1)C2 ZINC001164817548 720190382 /nfs/dbraw/zinc/19/03/82/720190382.db2.gz PUXZSBWBHZITLM-WMZHIEFXSA-N 1 0 409.534 3.194 20 0 HGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3ccc(Cl)cc31)CCC2 ZINC001164810314 720214380 /nfs/dbraw/zinc/21/43/80/720214380.db2.gz BZCRVXCWESTRMH-UHFFFAOYSA-N 1 0 412.925 3.090 20 0 HGADRO Cc1cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc(-c2ccsc2)n1 ZINC001164813914 720239859 /nfs/dbraw/zinc/23/98/59/720239859.db2.gz RUFSRIQCKIFNMF-UHFFFAOYSA-N 1 0 424.574 3.321 20 0 HGADRO Cc1sc2ncnc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1C ZINC001164818938 720299292 /nfs/dbraw/zinc/29/92/92/720299292.db2.gz BUYSAORQPIJAES-ROUUACIJSA-N 1 0 413.591 3.220 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cnc3cccc(Cl)c3n2)CC1 ZINC001164822604 720304583 /nfs/dbraw/zinc/30/45/83/720304583.db2.gz NLJOXALTVGJTBL-RTBURBONSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2csc3ncnc(Cl)c23)CC1 ZINC001164823781 720310864 /nfs/dbraw/zinc/31/08/64/720310864.db2.gz PQXDJSNCNZLEKH-LSDHHAIUSA-N 1 0 419.982 3.256 20 0 HGADRO CCOc1cc(Cl)nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164819293 720315545 /nfs/dbraw/zinc/31/55/45/720315545.db2.gz DKEOVHDTKPWIJR-ZWKOTPCHSA-N 1 0 406.958 3.045 20 0 HGADRO CCc1c(Cl)nnc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1CC ZINC001164832528 720320208 /nfs/dbraw/zinc/32/02/08/720320208.db2.gz UHXWFNLIEKDKMN-MOPGFXCFSA-N 1 0 420.001 3.166 20 0 HGADRO COc1ccc2ccc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2c1 ZINC001164827920 720325283 /nfs/dbraw/zinc/32/52/83/720325283.db2.gz JAQIQKMUOSNBTH-FGZHOGPDSA-N 1 0 408.546 3.155 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(-c3ccncc3)cn2)CC1 ZINC001164827312 720335996 /nfs/dbraw/zinc/33/59/96/720335996.db2.gz HSSWSIHVJHAUKO-YADHBBJMSA-N 1 0 405.546 3.055 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cnc(-c3ccccc3)cn2)CC1 ZINC001164825239 720338773 /nfs/dbraw/zinc/33/87/73/720338773.db2.gz JBYDGFIEVYNKAZ-VXKWHMMOSA-N 1 0 405.546 3.055 20 0 HGADRO Cc1cccc(-c2ccc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)c1 ZINC001164821550 720339186 /nfs/dbraw/zinc/33/91/86/720339186.db2.gz AVXDPHMDIXXLTA-GOTSBHOMSA-N 1 0 419.573 3.364 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(-c3cccs3)ncn2)CC1 ZINC001164829361 720342247 /nfs/dbraw/zinc/34/22/47/720342247.db2.gz RODLYLUXZLOYTD-MOPGFXCFSA-N 1 0 411.575 3.117 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nccnc2Oc2ccccc2)CC1 ZINC001164830003 720348005 /nfs/dbraw/zinc/34/80/05/720348005.db2.gz URXKKBCCKSQFCL-SFTDATJTSA-N 1 0 421.545 3.180 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(COC3CCC3)cn2)CC1 ZINC001164827858 720349706 /nfs/dbraw/zinc/34/97/06/720349706.db2.gz MXRAFDSTTBGGKC-VXKWHMMOSA-N 1 0 412.578 3.062 20 0 HGADRO Cc1c(Cl)nc(C(C)C)nc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164829530 720350765 /nfs/dbraw/zinc/35/07/65/720350765.db2.gz SKDYIHOCDUOSCM-ROUUACIJSA-N 1 0 420.001 3.473 20 0 HGADRO COc1cc2nc(C)nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2cc1OC ZINC001164723748 720386891 /nfs/dbraw/zinc/38/68/91/720386891.db2.gz HDDFPGVWCFZPLG-WOJBJXKFSA-N 1 0 405.502 3.204 20 0 HGADRO Cc1nc(CO[C@@H]2CN(c3ccc(C[N@@H+](C)C4CC4)cn3)[C@@H]3CCCO[C@H]23)cs1 ZINC001164825786 720392259 /nfs/dbraw/zinc/39/22/59/720392259.db2.gz VIGJJECOEFKKEN-SJBKTWHCSA-N 1 0 414.575 3.394 20 0 HGADRO Cc1nc(CO[C@@H]2CN(c3ncccc3C[NH+]3CCCC3)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164825845 720392987 /nfs/dbraw/zinc/39/29/87/720392987.db2.gz VOYUEXYVOPIHSS-NJDAHSKKSA-N 1 0 414.575 3.395 20 0 HGADRO CCOC(=O)c1cc2ncnc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2s1 ZINC001164734259 720410710 /nfs/dbraw/zinc/41/07/10/720410710.db2.gz RHIZQKCUCXNJIA-SJORKVTESA-N 1 0 409.515 3.116 20 0 HGADRO Cc1cc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc(NC(=O)c2ccccc2)n1 ZINC001164731656 720466513 /nfs/dbraw/zinc/46/65/13/720466513.db2.gz XGFJKJOPVVWBRA-NHCUHLMSSA-N 1 0 414.513 3.286 20 0 HGADRO CCOC(=O)/C=C/c1cccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164832350 720512478 /nfs/dbraw/zinc/51/24/78/720512478.db2.gz ACAZYTDGOPHQRA-GFPYTHISSA-N 1 0 423.561 3.232 20 0 HGADRO COC(=O)c1c(Cl)ccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164840071 720513397 /nfs/dbraw/zinc/51/33/97/720513397.db2.gz WHBXIDSVFSPAQO-LZLYRXPVSA-N 1 0 417.941 3.096 20 0 HGADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2nc(Cl)c3cc(F)ccc3n2)C1 ZINC001164727394 720514083 /nfs/dbraw/zinc/51/40/83/720514083.db2.gz FMGFXEZFJJFGCQ-GFCCVEGCSA-N 1 0 424.858 3.362 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3CCC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840787 720516022 /nfs/dbraw/zinc/51/60/22/720516022.db2.gz XNIQFOCJFAQDEV-JTDSTZFVSA-N 1 0 400.958 3.193 20 0 HGADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(Cl)ncc2OCc2ccccc2)C1 ZINC001164729345 720516423 /nfs/dbraw/zinc/51/64/23/720516423.db2.gz MQHGIKLSFBXJMW-KRWDZBQOSA-N 1 0 412.925 3.104 20 0 HGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cnc(Cl)nc3)CC[C@@H]21 ZINC001164834857 720518797 /nfs/dbraw/zinc/51/87/97/720518797.db2.gz HMNPGUOJXGOSTD-PVAVHDDUSA-N 1 0 410.900 3.249 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)nc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834856 720519033 /nfs/dbraw/zinc/51/90/33/720519033.db2.gz HMNPGUOJXGOSTD-HYVNUMGLSA-N 1 0 410.900 3.249 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3ccc(Cl)nn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835275 720519295 /nfs/dbraw/zinc/51/92/95/720519295.db2.gz JNBHGXSXFYJDNV-HRCADAONSA-N 1 0 410.900 3.249 20 0 HGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN([C@H](F)Oc3ccnc(Cl)c3)CC[C@@H]21 ZINC001164835740 720523792 /nfs/dbraw/zinc/52/37/92/720523792.db2.gz KRIYHGNWVFWDDO-JMVFIXPQSA-N 1 0 407.921 3.437 20 0 HGADRO C[C@H]1CCCCN1c1nc2ccccc2nc1N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001164735172 720523762 /nfs/dbraw/zinc/52/37/62/720523762.db2.gz VQRACJBARCIEJY-RBUKOAKNSA-N 1 0 419.577 3.403 20 0 HGADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)Oc2ccc(Cl)nc2Cl)C1 ZINC001164735547 720532171 /nfs/dbraw/zinc/53/21/71/720532171.db2.gz PHMLTCLFCFRGNM-LLVKDONJSA-N 1 0 406.264 3.208 20 0 HGADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)Oc2ccc(Cl)nc2Cl)C1 ZINC001164735548 720532521 /nfs/dbraw/zinc/53/25/21/720532521.db2.gz PHMLTCLFCFRGNM-NSHDSACASA-N 1 0 406.264 3.208 20 0 HGADRO COc1nc(Cl)nc(C)c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164841467 720544750 /nfs/dbraw/zinc/54/47/50/720544750.db2.gz WAMKGHAHTPPYQX-GVDBMIGSSA-N 1 0 404.946 3.021 20 0 HGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nnc(Cl)c4cccnc43)CC[C@@H]21 ZINC001164841447 720546706 /nfs/dbraw/zinc/54/67/06/720546706.db2.gz VXRKUHMPJAEGQP-RYRKJORJSA-N 1 0 411.941 3.253 20 0 HGADRO 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Cc1ccc(-c2ccc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nn2)cc1 ZINC001164896563 721432489 /nfs/dbraw/zinc/43/24/89/721432489.db2.gz RNKAYAPDLXELSK-DHLKQENFSA-N 1 0 421.589 3.217 20 0 HGADRO Cc1csc2nc(C)nc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164890243 721441285 /nfs/dbraw/zinc/44/12/85/721441285.db2.gz CQSBSOUZNDWBBA-XMSQKQJNSA-N 1 0 415.607 3.074 20 0 HGADRO Cn1cnc2c1[C@H](COCc1cccnc1)N(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164783000 721441710 /nfs/dbraw/zinc/44/17/10/721441710.db2.gz KWYOSTAJQFXNEV-QFIPXVFZSA-N 1 0 418.545 3.127 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)nc(SC)n1)CC2 ZINC001164790140 721448420 /nfs/dbraw/zinc/44/84/20/721448420.db2.gz WZTPTMYDBMHCDU-LJQANCHMSA-N 1 0 420.623 3.241 20 0 HGADRO CCc1ncnc(Cl)c1N1CCC2(C[C@@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164787698 721452696 /nfs/dbraw/zinc/45/26/96/721452696.db2.gz PLWFOGVVGGRRPB-SFHVURJKSA-N 1 0 423.001 3.426 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)ccc1OC)CC2 ZINC001164783301 721459078 /nfs/dbraw/zinc/45/90/78/721459078.db2.gz DEOQNHBLVCHATH-HXUWFJFHSA-N 1 0 403.567 3.133 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(OC)ccc1Cl)CC2 ZINC001164789890 721460409 /nfs/dbraw/zinc/46/04/09/721460409.db2.gz YDVUKFCMSYUGEH-GOSISDBHSA-N 1 0 423.985 3.478 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C3CC3)nn1)CC2 ZINC001164789930 721460805 /nfs/dbraw/zinc/46/08/05/721460805.db2.gz YNQFJRBFBHBDQX-HXUWFJFHSA-N 1 0 400.567 3.088 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(Cl)cc1N)CC2 ZINC001164788225 721464970 /nfs/dbraw/zinc/46/49/70/721464970.db2.gz IQDJGASSUNLDRH-GOSISDBHSA-N 1 0 408.974 3.051 20 0 HGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(Cl)cc1N)CC2 ZINC001164788228 721464985 /nfs/dbraw/zinc/46/49/85/721464985.db2.gz IQDJGASSUNLDRH-SFHVURJKSA-N 1 0 408.974 3.051 20 0 HGADRO CCOC(=O)c1cnc(Cl)cc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900763 721509565 /nfs/dbraw/zinc/50/95/65/721509565.db2.gz UPMJXLAHOJDIBS-DOTOQJQBSA-N 1 0 419.884 3.393 20 0 HGADRO Cc1cc(Cl)nc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164900058 721512568 /nfs/dbraw/zinc/51/25/68/721512568.db2.gz NQCNVSLLAOMYIB-ZBFHGGJFSA-N 1 0 412.843 3.464 20 0 HGADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)nc5c4CCCC5)CC[N@@H+]3C2)c1 ZINC001164901344 721520355 /nfs/dbraw/zinc/52/03/55/721520355.db2.gz WPOSTCZNXGKJGG-NVXWUHKLSA-N 1 0 402.901 3.490 20 0 HGADRO Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(Cl)n1 ZINC001164900062 721526252 /nfs/dbraw/zinc/52/62/52/721526252.db2.gz NQMQYYMTWWTZDC-ZBFHGGJFSA-N 1 0 412.843 3.464 20 0 HGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(-c3ccccc3)n2)[C@@H]2CCCO[C@H]12 ZINC001164801553 721535847 /nfs/dbraw/zinc/53/58/47/721535847.db2.gz FPTBAGPDPNKXOY-XPNTWCBSSA-N 1 0 401.514 3.407 20 0 HGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2CCCC3)[C@H]2CCCO[C@@H]12 ZINC001164799882 721537922 /nfs/dbraw/zinc/53/79/22/721537922.db2.gz BOXOOSUBTLDUDZ-XUVXKRRUSA-N 1 0 413.953 3.272 20 0 HGADRO COc1ccc2nc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc(C)c2c1 ZINC001164912013 721540935 /nfs/dbraw/zinc/54/09/35/721540935.db2.gz YDDVAFXYBDTDCT-XLIONFOSSA-N 1 0 408.477 3.428 20 0 HGADRO Cc1nc2cc(F)ccc2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164805593 721541408 /nfs/dbraw/zinc/54/14/08/721541408.db2.gz MKVLHEXOWJHGKI-FKBYEOEOSA-N 1 0 407.493 3.341 20 0 HGADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nccc(-c5cccnc5F)n4)CC[N@@H+]3C2)c1 ZINC001164911094 721544766 /nfs/dbraw/zinc/54/47/66/721544766.db2.gz VOIZYFCDMLNORM-FUHWJXTLSA-N 1 0 409.440 3.159 20 0 HGADRO COC(OC)c1cc(C)cnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909726 721547672 /nfs/dbraw/zinc/54/76/72/721547672.db2.gz RRSGMUHIOBEANX-MJGOQNOKSA-N 1 0 401.482 3.162 20 0 HGADRO CC1CCN(c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)CC1 ZINC001164911658 721555396 /nfs/dbraw/zinc/55/53/96/721555396.db2.gz ZKJCFWBXWLRIKU-FPOVZHCZSA-N 1 0 411.525 3.194 20 0 HGADRO Cc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc(-c2ccncc2)n1 ZINC001164806226 721574974 /nfs/dbraw/zinc/57/49/74/721574974.db2.gz PJLNNGMAOSBEMX-FUPPJEDESA-N 1 0 416.529 3.110 20 0 HGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccncc3)cn2)[C@@H]2CCCO[C@@H]12 ZINC001164805842 721575044 /nfs/dbraw/zinc/57/50/44/721575044.db2.gz PCXBLCZYNNWHMY-CQOQZXRMSA-N 1 0 401.514 3.407 20 0 HGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccncc3)cn2)[C@H]2CCCO[C@@H]12 ZINC001164805843 721575282 /nfs/dbraw/zinc/57/52/82/721575282.db2.gz PCXBLCZYNNWHMY-WMTXJRDZSA-N 1 0 401.514 3.407 20 0 HGADRO FC1(F)CCN(c2nccc(N3CCCC3)n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164905134 721582788 /nfs/dbraw/zinc/58/27/88/721582788.db2.gz SPHIEJASABZIEE-NRFANRHFSA-N 1 0 414.504 3.210 20 0 HGADRO COc1nc(Cl)cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907914 721584946 /nfs/dbraw/zinc/58/49/46/721584946.db2.gz WJUASIKSIKYLEO-GOSISDBHSA-N 1 0 409.868 3.271 20 0 HGADRO COC(=O)c1cccnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907991 721587510 /nfs/dbraw/zinc/58/75/10/721587510.db2.gz XTCGEHOAXGGWKE-HXUWFJFHSA-N 1 0 402.445 3.001 20 0 HGADRO Fc1cc2c(cn1)ncnc2N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907039 721695820 /nfs/dbraw/zinc/69/58/20/721695820.db2.gz QLMXQFNGWOLPLU-HXUWFJFHSA-N 1 0 414.435 3.297 20 0 HGADRO Cc1nc2ccc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2n1C ZINC001164904347 721704031 /nfs/dbraw/zinc/70/40/31/721704031.db2.gz BXRDBUFPCVHJEP-OAQYLSRUSA-N 1 0 412.488 3.409 20 0 HGADRO CC(=O)Nc1cccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164904820 721704473 /nfs/dbraw/zinc/70/44/73/721704473.db2.gz DFLVCVLEQVXRBA-HXUWFJFHSA-N 1 0 401.461 3.173 20 0 HGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc3ccc(Cl)cc3nc2Cl)CC1 ZINC001165010595 721734781 /nfs/dbraw/zinc/73/47/81/721734781.db2.gz GATFHESSEIMDQH-UHFFFAOYSA-N 1 0 422.360 3.460 20 0 HGADRO CCN(C)c1cc(C)[nH+]c(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)n1 ZINC001164913407 721742929 /nfs/dbraw/zinc/74/29/29/721742929.db2.gz VCXGLDSQMXYTBV-UHFFFAOYSA-N 1 0 406.534 3.424 20 0 HGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc3c(Cl)cccc3nc2Cl)CC1 ZINC001165013072 721749090 /nfs/dbraw/zinc/74/90/90/721749090.db2.gz SXUHLYNELSBYDJ-UHFFFAOYSA-N 1 0 422.360 3.460 20 0 HGADRO COC(=O)c1cnc(Cl)nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165021355 721801091 /nfs/dbraw/zinc/80/10/91/721801091.db2.gz GKZKFUJGXLZJGX-QGTPRVQTSA-N 1 0 415.925 3.049 20 0 HGADRO c1csc(COC[C@H]2CC[C@H]3[C@@H]2OCCN3c2ncccc2C[NH+]2CCCC2)n1 ZINC001164919459 721811529 /nfs/dbraw/zinc/81/15/29/721811529.db2.gz XYCDJGKOWHXZOY-SVFBPWRDSA-N 1 0 414.575 3.335 20 0 HGADRO C[C@@H]1CC(=O)Nc2ncnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c21 ZINC001165026520 721813744 /nfs/dbraw/zinc/81/37/44/721813744.db2.gz QYQFXNDNSOYREK-NEPXVJNWSA-N 1 0 406.534 3.054 20 0 HGADRO CCOc1ccc(C(=O)OC)c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165026422 721815955 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/nfs/dbraw/zinc/82/46/75/721824675.db2.gz ZNMKCWXXAHNPJH-NNWRFLSQSA-N 1 0 407.562 3.353 20 0 HGADRO Cc1nc(CN2CCOC[C@@]3(CN(c4[nH+]c(C)cc5ccccc54)CCO3)C2)cs1 ZINC001164923616 721830221 /nfs/dbraw/zinc/83/02/21/721830221.db2.gz SYRYADDWHJHVBO-QHCPKHFHSA-N 1 0 424.570 3.416 20 0 HGADRO COc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc2c1ccn2C ZINC001165027006 721830580 /nfs/dbraw/zinc/83/05/80/721830580.db2.gz QSMONAAGPFMQMG-VDGAXYAQSA-N 1 0 406.534 3.109 20 0 HGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(OCC3CC3)ncn2)CC1 ZINC001165022030 721842070 /nfs/dbraw/zinc/84/20/70/721842070.db2.gz NCEQDPRKTAMOTF-UHFFFAOYSA-N 1 0 412.534 3.383 20 0 HGADRO COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2CC[NH+](C3CCCC3)CC2)n1 ZINC001165032320 721858567 /nfs/dbraw/zinc/85/85/67/721858567.db2.gz QNFWMWSLMOMANV-BENRWUELSA-N 1 0 414.550 3.317 20 0 HGADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1cnc(Cl)nc1Oc1cccc(F)c1 ZINC001164931845 721888371 /nfs/dbraw/zinc/88/83/71/721888371.db2.gz GGYIWJVSYKWUKJ-DLBZAZTESA-N 1 0 405.905 3.276 20 0 HGADRO O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164935359 721910983 /nfs/dbraw/zinc/91/09/83/721910983.db2.gz FUJIQFHGDWUFRP-NQIIRXRSSA-N 1 0 424.520 3.046 20 0 HGADRO CCOC(=O)c1cnc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc1C ZINC001164941042 721925251 /nfs/dbraw/zinc/92/52/51/721925251.db2.gz ZLZNJEHSAHYMMB-UHFFFAOYSA-N 1 0 424.545 3.142 20 0 HGADRO COC(=O)c1cc2c(N3CC[NH+](CCOc4ccccc4)CC3)[nH]c(Cl)cc-2n1 ZINC001165044248 721958623 /nfs/dbraw/zinc/95/86/23/721958623.db2.gz GVQUXGULVLXWNS-UHFFFAOYSA-N 1 0 414.893 3.204 20 0 HGADRO O=S(=O)(c1cccnc1N1CCCC[C@H]1CC[NH+]1CCCC1)N1CCCCC1 ZINC001165050587 721977075 /nfs/dbraw/zinc/97/70/75/721977075.db2.gz ZEGNHNWIYJKZBS-IBGZPJMESA-N 1 0 406.596 3.101 20 0 HGADRO CC[C@H]1C(=O)Nc2cnc(N3CCC([NH+](CC)CC)CC3)nc2N1C1CCCC1 ZINC001165053514 722002981 /nfs/dbraw/zinc/00/29/81/722002981.db2.gz OFHORQQULPBKEF-IBGZPJMESA-N 1 0 400.571 3.267 20 0 HGADRO COC(=O)c1ccc2c(c1)ncnc2N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955534 722013764 /nfs/dbraw/zinc/01/37/64/722013764.db2.gz WFERBZMDHJMIBU-UHFFFAOYSA-N 1 0 417.513 3.304 20 0 HGADRO CC(C)(C)NC(=O)c1ccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001164951654 722017488 /nfs/dbraw/zinc/01/74/88/722017488.db2.gz BQNCJXTUOJRPRG-UHFFFAOYSA-N 1 0 407.562 3.497 20 0 HGADRO O=c1ccccn1Cc1ccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001164955891 722022536 /nfs/dbraw/zinc/02/25/36/722022536.db2.gz RGRANWFQKKVDFA-UHFFFAOYSA-N 1 0 415.541 3.179 20 0 HGADRO Cc1nc2ccccc2c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164961963 722054201 /nfs/dbraw/zinc/05/42/01/722054201.db2.gz ZYRNGEUXGWKTDM-UHFFFAOYSA-N 1 0 403.530 3.452 20 0 HGADRO Cc1nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc2ccccc12 ZINC001164964633 722055344 /nfs/dbraw/zinc/05/53/44/722055344.db2.gz WFAPOVMDLLEPFT-UHFFFAOYSA-N 1 0 403.530 3.452 20 0 HGADRO CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]21 ZINC001164979127 722097976 /nfs/dbraw/zinc/09/79/76/722097976.db2.gz HDVWHBIWZCWJTF-MQSCRBSSSA-N 1 0 405.546 3.223 20 0 HGADRO CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]21 ZINC001164979133 722097999 /nfs/dbraw/zinc/09/79/99/722097999.db2.gz HDVWHBIWZCWJTF-QZNHQXDQSA-N 1 0 405.546 3.223 20 0 HGADRO CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(c3ncccc3C[NH+]3CCCC3)C[C@H]21 ZINC001164982826 722098405 /nfs/dbraw/zinc/09/84/05/722098405.db2.gz PGFSUGFPUQYNCQ-BHDDXSALSA-N 1 0 405.546 3.223 20 0 HGADRO FC(F)(c1cccnc1Cl)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981248 722100129 /nfs/dbraw/zinc/10/01/29/722100129.db2.gz KSMZERJUJOJRAY-AEFFLSMTSA-N 1 0 408.880 3.402 20 0 HGADRO FC(F)(c1ccnc(Cl)c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164986539 722100513 /nfs/dbraw/zinc/10/05/13/722100513.db2.gz ZGZOVUHCEZCHKK-FUHWJXTLSA-N 1 0 408.880 3.402 20 0 HGADRO CC(C)(C)OC(=O)c1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164986635 722104280 /nfs/dbraw/zinc/10/42/80/722104280.db2.gz ZQRFUTZOTRQEHF-SFTDATJTSA-N 1 0 424.545 3.159 20 0 HGADRO Clc1cccc2c1ncnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981609 722106230 /nfs/dbraw/zinc/10/62/30/722106230.db2.gz LTMDNGATOPXPNO-XLIONFOSSA-N 1 0 409.921 3.406 20 0 HGADRO COc1cccc2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164980102 722107197 /nfs/dbraw/zinc/10/71/97/722107197.db2.gz JIRMJFIYVWCAKC-IFMALSPDSA-N 1 0 404.514 3.366 20 0 HGADRO Clc1cccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cnc12 ZINC001164982018 722110193 /nfs/dbraw/zinc/11/01/93/722110193.db2.gz VSWBZNYTRFFBLZ-XLIONFOSSA-N 1 0 409.921 3.406 20 0 HGADRO Fc1ccc(-c2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164971888 722113914 /nfs/dbraw/zinc/11/39/14/722113914.db2.gz DAWSLIUCNQDMNH-OFNKIYASSA-N 1 0 419.504 3.405 20 0 HGADRO Clc1ccc2cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncc2n1 ZINC001164979168 722122004 /nfs/dbraw/zinc/12/20/04/722122004.db2.gz PJXQEVRHFQIUAQ-UYAOXDASSA-N 1 0 409.921 3.406 20 0 HGADRO CCOc1ccc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164971430 722122283 /nfs/dbraw/zinc/12/22/83/722122283.db2.gz CKWSGGHOIYFLSD-WMZHIEFXSA-N 1 0 419.529 3.151 20 0 HGADRO Clc1ccc2cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncc2n1 ZINC001164979164 722122521 /nfs/dbraw/zinc/12/25/21/722122521.db2.gz PJXQEVRHFQIUAQ-ICSRJNTNSA-N 1 0 409.921 3.406 20 0 HGADRO COc1ccc2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2c1 ZINC001164975121 722126544 /nfs/dbraw/zinc/12/65/44/722126544.db2.gz JSRICIXEIPKPEU-OFNKIYASSA-N 1 0 404.514 3.366 20 0 HGADRO CC(C)n1ccc2c1ncnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978885 722136477 /nfs/dbraw/zinc/13/64/77/722136477.db2.gz KHWUULDLYNDEBK-TZIWHRDSSA-N 1 0 406.534 3.135 20 0 HGADRO c1ccc(-c2cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncn2)cc1 ZINC001164975158 722138272 /nfs/dbraw/zinc/13/82/72/722138272.db2.gz DXOMFUUHWKYPQT-FYYLOGMGSA-N 1 0 401.514 3.266 20 0 HGADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ncnc5sc6c(c54)CCC6)CC[C@H]3C2)c1 ZINC001164980362 722139157 /nfs/dbraw/zinc/13/91/57/722139157.db2.gz NFSIRPJQQMFSEX-HKUYNNGSSA-N 1 0 421.570 3.302 20 0 HGADRO c1csc(-c2cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncn2)c1 ZINC001164983331 722144890 /nfs/dbraw/zinc/14/48/90/722144890.db2.gz UGSLUEZKVLDYQW-AZUAARDMSA-N 1 0 407.543 3.327 20 0 HGADRO COc1ccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c(C)nc2c1 ZINC001164976068 722146473 /nfs/dbraw/zinc/14/64/73/722146473.db2.gz GYARHEFXVSRBGM-AUSIDOKSSA-N 1 0 419.529 3.069 20 0 HGADRO c1ccc(Oc2nccnc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164985066 722150504 /nfs/dbraw/zinc/15/05/04/722150504.db2.gz ZBHOIRAUXMTCAV-RBBKRZOGSA-N 1 0 417.513 3.391 20 0 HGADRO Fc1ccc(-c2cncc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164971136 722154036 /nfs/dbraw/zinc/15/40/36/722154036.db2.gz AUDYYFGZWJBRDS-NFBKMPQASA-N 1 0 419.504 3.405 20 0 HGADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4nccc5c6c([nH]c54)CCC6)CC[C@@H]3C2)c1 ZINC001164971203 722154110 /nfs/dbraw/zinc/15/41/10/722154110.db2.gz BCMJXPGGJVTUHP-XMSQKQJNSA-N 1 0 403.530 3.174 20 0 HGADRO C[NH+]1CCN(c2cccc(N3CCC[C@]4(C[C@@H](OCC5CCCC5)CO4)C3)n2)CC1 ZINC001164981217 722165376 /nfs/dbraw/zinc/16/53/76/722165376.db2.gz PSBFXACVNRGSIQ-QPPBQGQZSA-N 1 0 414.594 3.168 20 0 HGADRO COC(=O)c1cnc(Cl)nc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995124 722192383 /nfs/dbraw/zinc/19/23/83/722192383.db2.gz RVMJWIYVVNXCAX-FQEVSTJZSA-N 1 0 404.873 3.301 20 0 HGADRO COc1ccc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c(Br)c1O ZINC000546903825 1126096636 /nfs/dbraw/zinc/09/66/36/1126096636.db2.gz PCRSNJDYTSLJJP-CQSZACIVSA-N 1 0 405.292 3.338 20 0 HGADRO COc1ccc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c(Br)c1O ZINC000546903824 1126096786 /nfs/dbraw/zinc/09/67/86/1126096786.db2.gz PCRSNJDYTSLJJP-AWEZNQCLSA-N 1 0 405.292 3.338 20 0 HGADRO COC(=O)c1ccc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c(Br)c1 ZINC000560255391 1126097342 /nfs/dbraw/zinc/09/73/42/1126097342.db2.gz QAEUPIXDARAEAL-MRXNPFEDSA-N 1 0 417.303 3.410 20 0 HGADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cn2cc(Br)ccc2n1 ZINC001175705893 1126149123 /nfs/dbraw/zinc/14/91/23/1126149123.db2.gz AIBKPPUDGIBGSC-IBGZPJMESA-N 1 0 404.308 3.189 20 0 HGADRO CC(C)(C)OC(=O)NC(C)(C)c1cc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)on1 ZINC001181361110 1126153143 /nfs/dbraw/zinc/15/31/43/1126153143.db2.gz LRJAHCRFKNWJLV-INIZCTEOSA-N 1 0 407.486 3.267 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nnn(-c3ccccc3)c2C2CC2)cc1OC ZINC001183683345 1126153290 /nfs/dbraw/zinc/15/32/90/1126153290.db2.gz BUIBWIHOXLRRGG-DEOSSOPVSA-N 1 0 422.529 3.245 20 0 HGADRO COC(=O)c1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c(F)c1 ZINC001196105364 1126153474 /nfs/dbraw/zinc/15/34/74/1126153474.db2.gz VHIFQOOYQIQOTF-FQEVSTJZSA-N 1 0 422.294 3.384 20 0 HGADRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC001205425609 1126159357 /nfs/dbraw/zinc/15/93/57/1126159357.db2.gz BEHYJSOIVIFEFP-GOSISDBHSA-N 1 0 401.507 3.011 20 0 HGADRO COC(=O)c1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cc1 ZINC001206661497 1126159676 /nfs/dbraw/zinc/15/96/76/1126159676.db2.gz YNRINMKJJXPTPJ-FQEVSTJZSA-N 1 0 404.304 3.245 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccn(-c3ccc(F)cc3F)n2)cc1OC ZINC001308118642 1126164187 /nfs/dbraw/zinc/16/41/87/1126164187.db2.gz UKIQIQFKEWJNAS-JOCHJYFZSA-N 1 0 417.456 3.251 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cnc(N(C)C)c3ccccc23)cc1OC ZINC001460873057 1126193447 /nfs/dbraw/zinc/19/34/47/1126193447.db2.gz WNXOPCHPOPHQJF-DEOSSOPVSA-N 1 0 409.530 3.401 20 0 HGADRO COC(=O)c1ccc(F)c(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)c1 ZINC001460872247 1126193557 /nfs/dbraw/zinc/19/35/57/1126193557.db2.gz UYBLJJJEQMINFT-LJQANCHMSA-N 1 0 410.283 3.458 20 0 HGADRO O=c1c(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cccn1C(F)F ZINC001462427428 1126197639 /nfs/dbraw/zinc/19/76/39/1126197639.db2.gz IMZXNPTVDHOHBF-SFHVURJKSA-N 1 0 413.262 3.016 20 0 HGADRO O=c1[nH]c(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)nc2ccsc21 ZINC001473641231 1126198039 /nfs/dbraw/zinc/19/80/39/1126198039.db2.gz JCZJYCUFTGNZRF-SFHVURJKSA-N 1 0 420.332 3.169 20 0 HGADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cn(Cc2ccccc2)nn1 ZINC001461673736 1126196285 /nfs/dbraw/zinc/19/62/85/1126196285.db2.gz WHMVBUURNNDQBZ-FQEVSTJZSA-N 1 0 415.335 3.172 20 0 HGADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1nc2ccc(Br)cc2n1C ZINC001560102351 1126208214 /nfs/dbraw/zinc/20/82/14/1126208214.db2.gz LYPRWVJYIDXZHG-FQEVSTJZSA-N 1 0 418.335 3.428 20 0 HGADRO Cn1nc(C(F)(F)F)cc1C[NH2+][C@](C)(CO)Cc1ccc(Br)cc1 ZINC001560182426 1126208652 /nfs/dbraw/zinc/20/86/52/1126208652.db2.gz DKCLBTABKSOJNS-HNNXBMFYSA-N 1 0 406.246 3.285 20 0 HGADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC001560183121 1126208867 /nfs/dbraw/zinc/20/88/67/1126208867.db2.gz LTQORCVGZUBWQH-LJQANCHMSA-N 1 0 401.308 3.113 20 0 HGADRO CC(C)(C)OC(=O)N1CC(c2cc(C[NH2+][C@](C)(CO)Cc3ccccc3F)on2)C1 ZINC001560953787 1126214262 /nfs/dbraw/zinc/21/42/62/1126214262.db2.gz WNVRURVIYHEELX-QFIPXVFZSA-N 1 0 419.497 3.231 20 0 HGADRO Cc1sc2nc(CN3CCCCC3)nc(N3CCO[C@H]4C[NH2+]CC[C@H]4C3)c2c1C ZINC001164408978 718864321 /nfs/dbraw/zinc/86/43/21/718864321.db2.gz OHSUNBDSYZVVPH-ROUUACIJSA-N 1 0 415.607 3.109 20 0 HGADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCO[C@H]3C[NH2+]CC[C@@H]3C2)n1 ZINC001164405567 718864751 /nfs/dbraw/zinc/86/47/51/718864751.db2.gz FELPSQNJQVBYPG-MJGOQNOKSA-N 1 0 423.586 3.235 20 0 HGADRO Cc1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@H]4C3)c(Cl)nn2)c1 ZINC001164410397 718865817 /nfs/dbraw/zinc/86/58/17/718865817.db2.gz ZTWBIJGORRFNDQ-MAUKXSAKSA-N 1 0 408.880 3.465 20 0 HGADRO COc1cc(C(F)(F)N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc(Cl)n1 ZINC001164414835 718881755 /nfs/dbraw/zinc/88/17/55/718881755.db2.gz XUPKVWQMDLRKQB-JTQLQIEISA-N 1 0 400.779 3.337 20 0 HGADRO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164416358 718885981 /nfs/dbraw/zinc/88/59/81/718885981.db2.gz VQLHRFWXRUPCOT-UHFFFAOYSA-N 1 0 422.911 3.239 20 0 HGADRO C[NH+](C)Cc1ccnc(N2CCO[C@H](c3ncn4c3cccc4Br)C2)c1 ZINC001164421794 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ZINC001164867194 721091148 /nfs/dbraw/zinc/09/11/48/721091148.db2.gz WUGVUBJXWBGGFI-RBUKOAKNSA-N 1 0 409.921 3.466 20 0 HGADRO Cc1nc2cc(Cl)ccc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867195 721091692 /nfs/dbraw/zinc/09/16/92/721091692.db2.gz WUGVUBJXWBGGFI-RTBURBONSA-N 1 0 409.921 3.466 20 0 HGADRO COc1ccc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1Cl ZINC001164863696 721100743 /nfs/dbraw/zinc/10/07/43/721100743.db2.gz CZIOHTXYJYXUQL-HOTGVXAUSA-N 1 0 424.879 3.163 20 0 HGADRO COc1cc2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2cc1OC ZINC001164865445 721107652 /nfs/dbraw/zinc/10/76/52/721107652.db2.gz LIWYZEOUILINET-WOJBJXKFSA-N 1 0 420.513 3.127 20 0 HGADRO COc1cccc(-c2ccnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)c1 ZINC001164867349 721114588 /nfs/dbraw/zinc/11/45/88/721114588.db2.gz YDWJBMQVUDFGES-UNMCSNQZSA-N 1 0 417.513 3.027 20 0 HGADRO CCOC(=O)c1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc2ccccc21 ZINC001164769012 721124553 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3.231 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4c(Cl)nc(Cl)nc4C4CC4)C[C@H]3C2)cn1 ZINC001164768863 721242587 /nfs/dbraw/zinc/24/25/87/721242587.db2.gz YHVRCTRWGOIEQS-HUUCEWRRSA-N 1 0 407.349 3.353 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4c(F)ccc5c(Cl)ncnc54)C[C@@H]3C2)cn1 ZINC001164764882 721244380 /nfs/dbraw/zinc/24/43/80/721244380.db2.gz QIIOSFGVGYSOLM-GJZGRUSLSA-N 1 0 400.889 3.114 20 0 HGADRO Cc1cccc(N2CCC[C@]3(C2)CN(c2cccc(N4CC[NH+](C)CC4)n2)CCO3)c1 ZINC001164774525 721305092 /nfs/dbraw/zinc/30/50/92/721305092.db2.gz DZIVKSWTPBQPAB-VWLOTQADSA-N 1 0 421.589 3.018 20 0 HGADRO c1ccc(OC[C@@H]2C[C@H]3OCCN(c4cccc(OCC[NH+]5CCCC5)n4)[C@H]3C2)nc1 ZINC001164881453 721313753 /nfs/dbraw/zinc/31/37/53/721313753.db2.gz WNVQJKQQZHWJTK-PCCBWWKXSA-N 1 0 424.545 3.014 20 0 HGADRO CCN1CC[C@]2(CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@H]2C)C1=O ZINC001164777297 721317877 /nfs/dbraw/zinc/31/78/77/721317877.db2.gz JNQWZOGNMFFMMW-KBMIEXCESA-N 1 0 404.558 3.335 20 0 HGADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nncc4ccccc43)C2)C1 ZINC001164776831 721341515 /nfs/dbraw/zinc/34/15/15/721341515.db2.gz DDSICLMHAVTURL-QHCPKHFHSA-N 1 0 407.518 3.354 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@]3(C(=O)NCC3CC3)C2)nc1 ZINC001164882875 721345539 /nfs/dbraw/zinc/34/55/39/721345539.db2.gz IGZNSKPHKUSBLF-DPLHUUCSSA-N 1 0 412.578 3.140 20 0 HGADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cnc(Cl)cc3N)C2)C1 ZINC001164781641 721363430 /nfs/dbraw/zinc/36/34/30/721363430.db2.gz KHUWCFMVUBYQKL-FQEVSTJZSA-N 1 0 405.930 3.041 20 0 HGADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(Cl)cc3N)C2)C1 ZINC001164787058 721363891 /nfs/dbraw/zinc/36/38/91/721363891.db2.gz XXHDULXPCCADNT-HXUWFJFHSA-N 1 0 405.930 3.041 20 0 HGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5ncccc45)C3)O2)CC1 ZINC001164883641 721405819 /nfs/dbraw/zinc/40/58/19/721405819.db2.gz BOVPFPHBAYSCDK-VGSWGCGISA-N 1 0 415.969 3.049 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cnc5ccc(Cl)cc5n4)C3)O2)CC1 ZINC001164885643 721406032 /nfs/dbraw/zinc/40/60/32/721406032.db2.gz GWSPDCUGJQTDJB-PGRDOPGGSA-N 1 0 415.969 3.049 20 0 HGADRO CSc1ccnc(Cl)c1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164890595 721421504 /nfs/dbraw/zinc/42/15/04/721421504.db2.gz TZNGPQZEXVOWHW-UZLBHIALSA-N 1 0 411.015 3.222 20 0 HGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)cc(OC)n1)CC2 ZINC001164783525 721458999 /nfs/dbraw/zinc/45/89/99/721458999.db2.gz DICGYTQEURGCGC-IBGZPJMESA-N 1 0 423.985 3.478 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncncc1C(C)C)CC2 ZINC001164786809 721459669 /nfs/dbraw/zinc/45/96/69/721459669.db2.gz PLHAJSOUVURZDV-HXUWFJFHSA-N 1 0 402.583 3.334 20 0 HGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(CC(C)C)ncn1)CC2 ZINC001164788804 721468061 /nfs/dbraw/zinc/46/80/61/721468061.db2.gz LFYUJTAMEUQRDR-QFIPXVFZSA-N 1 0 416.610 3.409 20 0 HGADRO C[N@H+](Cc1ccc(N2Cc3nccn3C[C@@H](COCc3ccccn3)C2)nc1)C1CC1 ZINC001164888976 721470168 /nfs/dbraw/zinc/47/01/68/721470168.db2.gz GTARGSWODHANFV-HXUWFJFHSA-N 1 0 418.545 3.121 20 0 HGADRO CCc1cc(CC)nc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1 ZINC001164788791 721473284 /nfs/dbraw/zinc/47/32/84/721473284.db2.gz KXGCPRHYXIKMHO-QFIPXVFZSA-N 1 0 416.610 3.335 20 0 HGADRO CN1Cc2ccccc2CC2(CCN(c3ccc(C[N@H+](C)C4CC4)cn3)CC2)C1=O ZINC001164893448 721474157 /nfs/dbraw/zinc/47/41/57/721474157.db2.gz IXTLIHIIHHMFON-UHFFFAOYSA-N 1 0 404.558 3.477 20 0 HGADRO O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2c1ccc(C[NH+]2CCCC2)cn1 ZINC001164893994 721475707 /nfs/dbraw/zinc/47/57/07/721475707.db2.gz LOIKJSNPIJAHPT-XMMPIXPASA-N 1 0 405.546 3.234 20 0 HGADRO COC(=O)c1ccc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc1OC ZINC001164793109 721491007 /nfs/dbraw/zinc/49/10/07/721491007.db2.gz NVSHAGFGBTXBKW-UHFFFAOYSA-N 1 0 410.518 3.153 20 0 HGADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)cc3c1CNC3=O)CC2 ZINC001164792976 721497179 /nfs/dbraw/zinc/49/71/79/721497179.db2.gz WSWIBSVNPXDYNI-UHFFFAOYSA-N 1 0 411.937 3.254 20 0 HGADRO CON(C)C(=O)c1cc(C)cnc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164796357 721498825 /nfs/dbraw/zinc/49/88/25/721498825.db2.gz RBSCRGYTAXWOBY-UHFFFAOYSA-N 1 0 423.561 3.299 20 0 HGADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)nc5c4SCC5)CC[N@@H+]3C2)c1 ZINC001164903942 721527054 /nfs/dbraw/zinc/52/70/54/721527054.db2.gz DLAYVFCHLRUCMD-DZGCQCFKSA-N 1 0 406.914 3.259 20 0 HGADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)nc5ncsc54)CC[N@@H+]3C2)c1 ZINC001164908604 721536014 /nfs/dbraw/zinc/53/60/14/721536014.db2.gz PUODREVGXFWMMC-GXTWGEPZSA-N 1 0 405.886 3.221 20 0 HGADRO CCOC(=O)c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)c1 ZINC001164907167 721536549 /nfs/dbraw/zinc/53/65/49/721536549.db2.gz MJHKSDGYAFPVNA-WMZOPIPTSA-N 1 0 419.884 3.393 20 0 HGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2CCCC3)[C@@H]2CCCO[C@H]21 ZINC001164799881 721538113 /nfs/dbraw/zinc/53/81/13/721538113.db2.gz BOXOOSUBTLDUDZ-VAMGGRTRSA-N 1 0 413.953 3.272 20 0 HGADRO CCOC(=O)c1c(C)cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1C ZINC001164909748 721540894 /nfs/dbraw/zinc/54/08/94/721540894.db2.gz RSSLAYONYNGFFI-UYAOXDASSA-N 1 0 413.493 3.356 20 0 HGADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4cncc(N5CCCCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164903541 721559793 /nfs/dbraw/zinc/55/97/93/721559793.db2.gz CCYWJVDAFZZQBQ-FPOVZHCZSA-N 1 0 411.525 3.338 20 0 HGADRO CN(C)C(=O)[C@@H]1CC12CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CC2 ZINC001164903648 721571633 /nfs/dbraw/zinc/57/16/33/721571633.db2.gz QRNCRCAXUQHNON-KRWDZBQOSA-N 1 0 424.923 3.351 20 0 HGADRO CN(C)c1nc(Cl)cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905775 721584064 /nfs/dbraw/zinc/58/40/64/721584064.db2.gz WYWIVUKLVMITLB-IBGZPJMESA-N 1 0 422.911 3.329 20 0 HGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3c4c([nH]c32)CCC4)[C@H]2CCCO[C@@H]12 ZINC001164808287 721589120 /nfs/dbraw/zinc/58/91/20/721589120.db2.gz QGQQQYQTYPONKM-QZNHQXDQSA-N 1 0 403.530 3.315 20 0 HGADRO FC1(F)CCN(c2nc(Cl)nc(Cl)n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907102 721695843 /nfs/dbraw/zinc/69/58/43/721695843.db2.gz RPSJOJJGYHXFAK-MRXNPFEDSA-N 1 0 415.275 3.311 20 0 HGADRO COCc1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(C)n1 ZINC001164906981 721700810 /nfs/dbraw/zinc/70/08/10/721700810.db2.gz QBEDLBBUQTWCMC-FQEVSTJZSA-N 1 0 403.477 3.064 20 0 HGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncnc3c2ccn3C2CCCC2)CC1 ZINC001165010121 721739373 /nfs/dbraw/zinc/73/93/73/721739373.db2.gz BBKFLIXHUUWHSM-UHFFFAOYSA-N 1 0 410.566 3.069 20 0 HGADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165009280 721744566 /nfs/dbraw/zinc/74/45/66/721744566.db2.gz AXSSKPHSBSHZGJ-UHFFFAOYSA-N 1 0 407.990 3.259 20 0 HGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(-c3cccc(Cl)c3)nn2)CC1 ZINC001165009449 721745287 /nfs/dbraw/zinc/74/52/87/721745287.db2.gz DLJNZEPKZFEVJK-UHFFFAOYSA-N 1 0 413.953 3.320 20 0 HGADRO Cc1cc(-c2cccc(F)c2)nnc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165012865 721749052 /nfs/dbraw/zinc/74/90/52/721749052.db2.gz PRBIDSNPWNZESS-UHFFFAOYSA-N 1 0 411.525 3.114 20 0 HGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2c(Cl)ccc3c(Cl)ncnc32)CC1 ZINC001165013318 721750516 /nfs/dbraw/zinc/75/05/16/721750516.db2.gz XVEWNGNFLWFIGW-UHFFFAOYSA-N 1 0 422.360 3.460 20 0 HGADRO C[N@H+](Cc1ccc(N2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)nc1)C1CC1 ZINC001164916701 721811026 /nfs/dbraw/zinc/81/10/26/721811026.db2.gz ITXWOPNJKNJTLN-LRXVAGHRSA-N 1 0 414.575 3.333 20 0 HGADRO CCOC(=O)c1ncnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001165023608 721814802 /nfs/dbraw/zinc/81/48/02/721814802.db2.gz IJXVQSQFSBSZSE-SXLOBPIMSA-N 1 0 409.534 3.094 20 0 HGADRO CCOc1ccc(C(=O)OC)c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165026421 721815882 /nfs/dbraw/zinc/81/58/82/721815882.db2.gz PZSITEOITBUDHG-IOMROCGXSA-N 1 0 424.545 3.399 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc4c3CNC4=O)C[C@@H]21 ZINC001165028994 721817101 /nfs/dbraw/zinc/81/71/01/721817101.db2.gz YLDNPMWITLWBQA-ZOCIIQOWSA-N 1 0 411.937 3.110 20 0 HGADRO CCOC(=O)c1cnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(OC)c1 ZINC001165024236 721817169 /nfs/dbraw/zinc/81/71/69/721817169.db2.gz KAAQAKQEIUTMLT-YYWHXJBOSA-N 1 0 424.545 3.399 20 0 HGADRO COc1cc2c[nH+]c(N3CCC4(CC3)c3ncc(C)n3CCN4C)cc2cc1OC ZINC001164918698 721819849 /nfs/dbraw/zinc/81/98/49/721819849.db2.gz RMJIGFGLJVDRLN-UHFFFAOYSA-N 1 0 407.518 3.198 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN([C@H](F)Oc3cncc(Cl)n3)C[C@@H]21 ZINC001165027880 721829176 /nfs/dbraw/zinc/82/91/76/721829176.db2.gz USGXEVOUQMMWOB-ASKNOMKYSA-N 1 0 405.905 3.389 20 0 HGADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1cnc(Cl)nc1Oc1ccccc1F ZINC001164935565 721888437 /nfs/dbraw/zinc/88/84/37/721888437.db2.gz XSPPVCCOVIMWIU-JKSUJKDBSA-N 1 0 405.905 3.276 20 0 HGADRO Cc1sc2nc(CN3CCCC3)nc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1C ZINC000641935156 721918173 /nfs/dbraw/zinc/91/81/73/721918173.db2.gz DNUMRQNDWREELM-SFHVURJKSA-N 1 0 415.607 3.205 20 0 HGADRO 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/nfs/dbraw/zinc/00/30/19/722003019.db2.gz NLGCUYHWCNUSNP-IBGZPJMESA-N 1 0 414.598 3.291 20 0 HGADRO CC(C)(C)OC(=O)c1ccnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955210 722018533 /nfs/dbraw/zinc/01/85/33/722018533.db2.gz ACJIZXGBFTXFCI-UHFFFAOYSA-N 1 0 409.534 3.319 20 0 HGADRO CC(C)(C)NC(=O)c1ccnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164955276 722019754 /nfs/dbraw/zinc/01/97/54/722019754.db2.gz CUWGUXIXSBJCLS-UHFFFAOYSA-N 1 0 407.562 3.497 20 0 HGADRO F[C@@H](Oc1ccnc(Cl)c1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164964870 722054540 /nfs/dbraw/zinc/05/45/40/722054540.db2.gz YUYZJTMJYHNQJE-HXUWFJFHSA-N 1 0 420.916 3.377 20 0 HGADRO CCOc1nc(Cl)cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164964667 722054758 /nfs/dbraw/zinc/05/47/58/722054758.db2.gz WMRYZULEKUPSNW-UHFFFAOYSA-N 1 0 417.941 3.043 20 0 HGADRO COc1ccc2c(c1)ncnc2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963128 722056046 /nfs/dbraw/zinc/05/60/46/722056046.db2.gz HLKSOHLSRXIEEG-UHFFFAOYSA-N 1 0 419.529 3.152 20 0 HGADRO CSc1ncc(Cl)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164960719 722058608 /nfs/dbraw/zinc/05/86/08/722058608.db2.gz JDFCTTNQYXYLJQ-UHFFFAOYSA-N 1 0 419.982 3.366 20 0 HGADRO COc1cccc2ncnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c21 ZINC001164960654 722059802 /nfs/dbraw/zinc/05/98/02/722059802.db2.gz GCFUMEWNDSGZNY-UHFFFAOYSA-N 1 0 419.529 3.152 20 0 HGADRO COc1cccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1 ZINC001164967672 722077671 /nfs/dbraw/zinc/07/76/71/722077671.db2.gz IOYSVQILGGXOOT-HDICACEKSA-N 1 0 416.909 3.230 20 0 HGADRO FC(F)(c1cccnc1Cl)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981252 722100072 /nfs/dbraw/zinc/10/00/72/722100072.db2.gz KSMZERJUJOJRAY-SJLPKXTDSA-N 1 0 408.880 3.402 20 0 HGADRO Clc1nnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c2ccccc12 ZINC001164984273 722103984 /nfs/dbraw/zinc/10/39/84/722103984.db2.gz RUDFFNDYBAKUKF-YLJYHZDGSA-N 1 0 409.921 3.406 20 0 HGADRO c1ccc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164984309 722105220 /nfs/dbraw/zinc/10/52/20/722105220.db2.gz SHOUNHBZCJQVLP-JTHBVZDNSA-N 1 0 401.514 3.266 20 0 HGADRO Clc1cnc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ccc2c1 ZINC001164975641 722113069 /nfs/dbraw/zinc/11/30/69/722113069.db2.gz KDMRWLVWCUJOCF-UYAOXDASSA-N 1 0 409.921 3.406 20 0 HGADRO Clc1ccc2ncc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2c1 ZINC001164981082 722113111 /nfs/dbraw/zinc/11/31/11/722113111.db2.gz SKLVFPHLHRQPSB-DYESRHJHSA-N 1 0 409.921 3.406 20 0 HGADRO CSc1nc2ccccc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164980577 722123711 /nfs/dbraw/zinc/12/37/11/722123711.db2.gz RWFXNBCZRWHGTK-NQIIRXRSSA-N 1 0 421.570 3.474 20 0 HGADRO c1csc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)c1 ZINC001164982532 722128074 /nfs/dbraw/zinc/12/80/74/722128074.db2.gz WYVWJZFNFRZKMS-ICSRJNTNSA-N 1 0 407.543 3.327 20 0 HGADRO COc1ccc2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164974128 722134318 /nfs/dbraw/zinc/13/43/18/722134318.db2.gz CJLGOQXLUZOFCS-NZQKXSOJSA-N 1 0 404.514 3.366 20 0 HGADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ccc(-c5ccncc5)cn4)CC[C@@H]3C2)c1 ZINC001164985471 722138443 /nfs/dbraw/zinc/13/84/43/722138443.db2.gz ZPGZUAMJQJUGRO-DHIUTWEWSA-N 1 0 401.514 3.266 20 0 HGADRO COc1cccc2c1ccnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972813 722146795 /nfs/dbraw/zinc/14/67/95/722146795.db2.gz ARYLSBFNYSQPFK-AUSIDOKSSA-N 1 0 404.514 3.366 20 0 HGADRO Fc1cccc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)c1 ZINC001164985003 722146906 /nfs/dbraw/zinc/14/69/06/722146906.db2.gz YTHHGKZPGLHLBO-NFBKMPQASA-N 1 0 419.504 3.405 20 0 HGADRO Cc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(-c2ccco2)n1 ZINC001164983866 722147255 /nfs/dbraw/zinc/14/72/55/722147255.db2.gz VWQMEYOWTNZJAR-TZIWHRDSSA-N 1 0 405.502 3.167 20 0 HGADRO Cc1ccc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)o1 ZINC001164974400 722148148 /nfs/dbraw/zinc/14/81/48/722148148.db2.gz DRMFDXAFNSDCAI-KNQAVFIVSA-N 1 0 405.502 3.167 20 0 HGADRO c1cc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)cs1 ZINC001164976194 722151963 /nfs/dbraw/zinc/15/19/63/722151963.db2.gz UWJGXGLYAVDELH-GHTZIAJQSA-N 1 0 407.543 3.327 20 0 HGADRO COC(=O)c1cc(Cl)nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993608 722192521 /nfs/dbraw/zinc/19/25/21/722192521.db2.gz FHQFWGIWKZAHDY-HXUWFJFHSA-N 1 0 404.873 3.301 20 0 HGADRO COC(=O)c1nc(Cl)cnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994052 722200943 /nfs/dbraw/zinc/20/09/43/722200943.db2.gz DYILDHCVBUVVPP-HXUWFJFHSA-N 1 0 404.873 3.301 20 0 HGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCn3cnc(CNC(C)=O)c3C2)nc1 ZINC001164999753 722228418 /nfs/dbraw/zinc/22/84/18/722228418.db2.gz OVMKAFNFNZCARH-OAQYLSRUSA-N 1 0 410.566 3.262 20 0 HGADRO OC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1c(F)ccc(I)c1F ZINC000475201625 1126094597 /nfs/dbraw/zinc/09/45/97/1126094597.db2.gz GZRNKJPJRYWCHR-LBPRGKRZSA-N 1 0 421.200 3.402 20 0 HGADRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1nnnn1-c1ccc(OC(F)F)cc1 ZINC001176599369 1126150364 /nfs/dbraw/zinc/15/03/64/1126150364.db2.gz PFWXRMIJHXBUPK-IBGZPJMESA-N 1 0 423.851 3.000 20 0 HGADRO CCN(C)c1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cn1 ZINC001179146957 1126151501 /nfs/dbraw/zinc/15/15/01/1126151501.db2.gz DISUTBXOWALLEB-HXUWFJFHSA-N 1 0 404.352 3.310 20 0 HGADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cnc(C2OCCO2)s1 ZINC001179277767 1126151888 /nfs/dbraw/zinc/15/18/88/1126151888.db2.gz MXJDMIQFKVYQAW-KRWDZBQOSA-N 1 0 413.337 3.034 20 0 HGADRO OC[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cccc(Br)c1OC(F)F ZINC001205396909 1126159431 /nfs/dbraw/zinc/15/94/31/1126159431.db2.gz IHHKDCYLJXYFIH-CYBMUJFWSA-N 1 0 402.235 3.449 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccn(-c3ccc(F)cc3F)n2)cc1OC ZINC001308118643 1126164183 /nfs/dbraw/zinc/16/41/83/1126164183.db2.gz UKIQIQFKEWJNAS-QFIPXVFZSA-N 1 0 417.456 3.251 20 0 HGADRO O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1ccc(CN2CCOCC2)cc1)C(F)(F)F ZINC001473751357 1126198961 /nfs/dbraw/zinc/19/89/61/1126198961.db2.gz UCBGRZVZHYRQIV-RTWAWAEBSA-N 1 0 408.464 3.143 20 0 HGADRO Cc1nn2c(C[NH2+][C@@]3(CO)CCc4cc(Br)ccc4C3)c(C)nc2s1 ZINC001474626713 1126204789 /nfs/dbraw/zinc/20/47/89/1126204789.db2.gz QDECVLYNTDTFHB-SFHVURJKSA-N 1 0 421.364 3.180 20 0 HGADRO O=C1CN(C(F)(F)c2cnc(Cl)c(-c3ccccc3F)c2)CC2(CC[NH2+]CC2)N1 ZINC001164391754 718810039 /nfs/dbraw/zinc/81/00/39/718810039.db2.gz ICERQOVRUOCDRK-UHFFFAOYSA-N 1 0 424.854 3.144 20 0 HGADRO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CCO[C@@H]2C[NH2+]CC[C@H]2C1 ZINC001164407668 718862790 /nfs/dbraw/zinc/86/27/90/718862790.db2.gz ZOXBTDCZCPLMQJ-IINYFYTJSA-N 1 0 403.260 3.296 20 0 HGADRO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001164410266 718864690 /nfs/dbraw/zinc/86/46/90/718864690.db2.gz YPURFFOCHUDNTP-BXUZGUMPSA-N 1 0 400.882 3.218 20 0 HGADRO Fc1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)c(Cl)nn2)c1 ZINC001164404971 718865492 /nfs/dbraw/zinc/86/54/92/718865492.db2.gz BYFRSWBOBZQWAZ-CXAGYDPISA-N 1 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CCOC(=O)c1cnc(Cl)nc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164618347 719053922 /nfs/dbraw/zinc/05/39/22/719053922.db2.gz ARROWSZYROQLHK-SJLPKXTDSA-N 1 0 400.910 3.408 20 0 HGADRO CCOC(=O)c1cnc(SC)nc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164620929 719053931 /nfs/dbraw/zinc/05/39/31/719053931.db2.gz HJFBVDNSOQFLMN-PKOBYXMFSA-N 1 0 412.559 3.476 20 0 HGADRO c1cc(OCC[NH+]2CCCC2)nc(N2CCO[C@@H]3[C@H](OCC4CCCC4)CC[C@H]32)c1 ZINC001164663664 719343505 /nfs/dbraw/zinc/34/35/05/719343505.db2.gz ZRDSUYANEMKJKA-LGVFNWMJSA-N 1 0 415.578 3.499 20 0 HGADRO CCN(CC)C(=O)c1nc2c(s1)CCN(c1ccc(C[N@H+](C)C3CC3)cn1)CC2 ZINC001164664601 719360040 /nfs/dbraw/zinc/36/00/40/719360040.db2.gz OWQBNIMBPSZJFB-UHFFFAOYSA-N 1 0 413.591 3.220 20 0 HGADRO C[N@@H+]1CCO[C@@H]2CN(c3cc(-c4ccc(Cl)nc4)ccc3C3OCCCO3)C[C@@H]21 ZINC001164666474 719422119 /nfs/dbraw/zinc/42/21/19/719422119.db2.gz CVTLCPRRTIXQSD-VQTJNVASSA-N 1 0 415.921 3.357 20 0 HGADRO COc1ccc(Oc2cc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)nc(C)n2)cc1 ZINC001164680546 719647829 /nfs/dbraw/zinc/64/78/29/719647829.db2.gz VMGDHFHFVKTLQS-UHFFFAOYSA-N 1 0 422.533 3.258 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1ccc3ncnc(Cl)c3c1)CC2 ZINC001164683936 719713557 /nfs/dbraw/zinc/71/35/57/719713557.db2.gz MDQHQLWIHBIHJT-UHFFFAOYSA-N 1 0 423.895 3.009 20 0 HGADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)c(F)cc2C(N)=O)CC3)cs1 ZINC001164692849 719805823 /nfs/dbraw/zinc/80/58/23/719805823.db2.gz PXKQEIQYGOSEHV-UHFFFAOYSA-N 1 0 423.945 3.373 20 0 HGADRO CCOC(=O)c1cnc(C)nc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164694455 719806852 /nfs/dbraw/zinc/80/68/52/719806852.db2.gz YDXDMZZLNGISLN-UHFFFAOYSA-N 1 0 415.563 3.362 20 0 HGADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)cc4c2CNC4=O)CC3)cs1 ZINC001164691968 719810602 /nfs/dbraw/zinc/81/06/02/719810602.db2.gz CTFBGJGRFFVMIA-UHFFFAOYSA-N 1 0 417.966 3.378 20 0 HGADRO C=C(OCC)c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nn1 ZINC001164699265 719892692 /nfs/dbraw/zinc/89/26/92/719892692.db2.gz YLGYQEPNRXBMQJ-UHFFFAOYSA-N 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ZINC001164790217 721460763 /nfs/dbraw/zinc/46/07/63/721460763.db2.gz ZTCCPQXHOXBHSG-SFHVURJKSA-N 1 0 408.974 3.172 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(Cl)nc1C)CC2 ZINC001164790211 721460986 /nfs/dbraw/zinc/46/09/86/721460986.db2.gz ZTCCPQXHOXBHSG-GOSISDBHSA-N 1 0 408.974 3.172 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)c(Cl)c(C)n1)CC2 ZINC001164785769 721461980 /nfs/dbraw/zinc/46/19/80/721461980.db2.gz NILLBJINUOWTIM-LJQANCHMSA-N 1 0 423.001 3.481 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(OC)cc1Cl)CC2 ZINC001164787731 721462825 /nfs/dbraw/zinc/46/28/25/721462825.db2.gz SANHLMQDKJDHAK-GOSISDBHSA-N 1 0 423.985 3.478 20 0 HGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(OC)cc1Cl)CC2 ZINC001164787736 721462863 /nfs/dbraw/zinc/46/28/63/721462863.db2.gz SANHLMQDKJDHAK-SFHVURJKSA-N 1 0 423.985 3.478 20 0 HGADRO Fc1c[nH]c2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c12 ZINC001164896896 721509847 /nfs/dbraw/zinc/50/98/47/721509847.db2.gz CAXBLMZKZXVFDN-OCCSQVGLSA-N 1 0 405.836 3.231 20 0 HGADRO O=C(c1cccnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1)N1CCCCC1 ZINC001164900670 721513645 /nfs/dbraw/zinc/51/36/45/721513645.db2.gz SRCOQDTZRRCSOX-PZJWPPBQSA-N 1 0 424.520 3.189 20 0 HGADRO Cc1c[nH]c2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c12 ZINC001164899053 721525160 /nfs/dbraw/zinc/52/51/60/721525160.db2.gz JUFHBKIZBBVVMG-GOEBONIOSA-N 1 0 401.873 3.401 20 0 HGADRO Cc1nc2ccc(F)cc2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164806591 721541646 /nfs/dbraw/zinc/54/16/46/721541646.db2.gz OWHZGGUAIQPLPJ-FKBYEOEOSA-N 1 0 407.493 3.341 20 0 HGADRO CCOC(=O)/C=C/c1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164907326 721543347 /nfs/dbraw/zinc/54/33/47/721543347.db2.gz MYCYVWHPCNUXGM-LACOWATDSA-N 1 0 411.477 3.139 20 0 HGADRO CC(C)(C)NC(=O)c1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164903474 721545836 /nfs/dbraw/zinc/54/58/36/721545836.db2.gz CWXFKZIINIJVAT-QUCCMNQESA-N 1 0 412.509 3.091 20 0 HGADRO C=Cc1nc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1OC ZINC001164907203 721550584 /nfs/dbraw/zinc/55/05/84/721550584.db2.gz MQSSCENYHDSCIY-HOCLYGCPSA-N 1 0 404.873 3.263 20 0 HGADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc5c(nc4Cl)CCCC5)CC[N@@H+]3C2)c1 ZINC001164910239 721566854 /nfs/dbraw/zinc/56/68/54/721566854.db2.gz WBZZRNNGKPMKIH-RDJZCZTQSA-N 1 0 402.901 3.490 20 0 HGADRO Cc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc(-c2ccncc2)n1 ZINC001164806232 721575038 /nfs/dbraw/zinc/57/50/38/721575038.db2.gz PJLNNGMAOSBEMX-QNWVGRARSA-N 1 0 416.529 3.110 20 0 HGADRO Cc1nc(-c2ccncc2)cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164810210 721582706 /nfs/dbraw/zinc/58/27/06/721582706.db2.gz VDTUXYSMILZREX-AOHZBQACSA-N 1 0 416.529 3.110 20 0 HGADRO CCOC(=O)c1cccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908237 721697946 /nfs/dbraw/zinc/69/79/46/721697946.db2.gz YDMRXFQYQDSNLC-OAQYLSRUSA-N 1 0 416.472 3.391 20 0 HGADRO CC(=O)Nc1c(C)ccnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904846 721720835 /nfs/dbraw/zinc/72/08/35/721720835.db2.gz DKHQLVHFUJFYFF-NRFANRHFSA-N 1 0 415.488 3.481 20 0 HGADRO COC(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1OC ZINC001165022088 721803594 /nfs/dbraw/zinc/80/35/94/721803594.db2.gz HUYOPGBURRFSKU-FFZOFVMBSA-N 1 0 410.518 3.009 20 0 HGADRO CCOC(=O)c1cc(C)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165023410 721806980 /nfs/dbraw/zinc/80/69/80/721806980.db2.gz JSWIZNUVYXTZCE-FBBABVLZSA-N 1 0 409.534 3.094 20 0 HGADRO C[N@H+](Cc1ccc(N2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)nc1)C1CC1 ZINC001164916698 721811062 /nfs/dbraw/zinc/81/10/62/721811062.db2.gz ITXWOPNJKNJTLN-LQBOVUBWSA-N 1 0 414.575 3.333 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C(=O)NC4CC4)cn3)C[C@@H]21 ZINC001165027407 721814587 /nfs/dbraw/zinc/81/45/87/721814587.db2.gz URGGWCZXMYSATC-YUXAGFNASA-N 1 0 405.546 3.106 20 0 HGADRO CCCNC(=O)c1cccnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165023268 721823640 /nfs/dbraw/zinc/82/36/40/721823640.db2.gz IMXAZXIJSKTLAU-NYVOZVTQSA-N 1 0 407.562 3.353 20 0 HGADRO CCN(CC)c1cc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)ncn1 ZINC001165022003 721842415 /nfs/dbraw/zinc/84/24/15/721842415.db2.gz LZATVNUTHCHTML-UHFFFAOYSA-N 1 0 413.566 3.441 20 0 HGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cncc(N3CCCC3)n2)CC1 ZINC001165022697 721842642 /nfs/dbraw/zinc/84/26/42/721842642.db2.gz SHBRUALFKQKIHH-UHFFFAOYSA-N 1 0 411.550 3.195 20 0 HGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(OC)ncc2Cl)CC1 ZINC001165030980 721844815 /nfs/dbraw/zinc/84/48/15/721844815.db2.gz NNPFNLREXWOPHJ-UHFFFAOYSA-N 1 0 406.914 3.257 20 0 HGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(C)nc(OC)c2C)CC1 ZINC001165030887 721844819 /nfs/dbraw/zinc/84/48/19/721844819.db2.gz LOJIPTGWLUVGJW-UHFFFAOYSA-N 1 0 400.523 3.220 20 0 HGADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164936284 721878559 /nfs/dbraw/zinc/87/85/59/721878559.db2.gz ZDPGHOKKDAQHLU-STZQEDGTSA-N 1 0 408.594 3.223 20 0 HGADRO COc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)c1 ZINC001164932570 721888925 /nfs/dbraw/zinc/88/89/25/721888925.db2.gz JEXDYKRJIVQUIY-MSOLQXFVSA-N 1 0 417.941 3.146 20 0 HGADRO c1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3c2nc3ccccc3nc2N2CCOCC2)c1 ZINC001164936979 721912627 /nfs/dbraw/zinc/91/26/27/721912627.db2.gz DMQFPXVFRJLDHG-HDICACEKSA-N 1 0 421.570 3.381 20 0 HGADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCn3cnc(Cn4cccn4)c3C2)nc1 ZINC001164937945 721916041 /nfs/dbraw/zinc/91/60/41/721916041.db2.gz ICHXUGZNVNQHLQ-NRFANRHFSA-N 1 0 405.550 3.480 20 0 HGADRO Cc1sc2nc(CN3CCCC3)nc(N3CC[NH+](C[C@H]4CCCO4)CC3)c2c1C ZINC000641935155 721918380 /nfs/dbraw/zinc/91/83/80/721918380.db2.gz DNUMRQNDWREELM-GOSISDBHSA-N 1 0 415.607 3.205 20 0 HGADRO CCOC(=O)c1cc(C)nc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164940880 721923626 /nfs/dbraw/zinc/92/36/26/721923626.db2.gz VSDOYDPUDLXHBU-UHFFFAOYSA-N 1 0 424.545 3.142 20 0 HGADRO CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3ccc(C[N@@H+](C)C4CC4)cn3)C[C@H]12 ZINC001164947818 721967679 /nfs/dbraw/zinc/96/76/79/721967679.db2.gz RNIUQHIOUGNEQR-UKILVPOCSA-N 1 0 404.558 3.445 20 0 HGADRO COc1ccc2c(cc[nH+]c2N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)c1 ZINC001164945951 721971347 /nfs/dbraw/zinc/97/13/47/721971347.db2.gz VBGKDQVYBYUJJT-UHFFFAOYSA-N 1 0 416.525 3.214 20 0 HGADRO CCOc1ccc(C(=O)OC)c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955868 722018968 /nfs/dbraw/zinc/01/89/68/722018968.db2.gz QATJNVLTLCCYIN-UHFFFAOYSA-N 1 0 410.518 3.154 20 0 HGADRO Fc1cccc2c1ncnc2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963839 722055175 /nfs/dbraw/zinc/05/51/75/722055175.db2.gz NIOZNPLRLOOLIR-UHFFFAOYSA-N 1 0 407.493 3.283 20 0 HGADRO Cc1nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc(C)c1Cl ZINC001164963050 722057467 /nfs/dbraw/zinc/05/74/67/722057467.db2.gz GUAKOEOHAFIYDI-UHFFFAOYSA-N 1 0 401.942 3.261 20 0 HGADRO CCOC(=O)c1c(C)ccnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962526 722058532 /nfs/dbraw/zinc/05/85/32/722058532.db2.gz TTWQHAXPMZPOJH-UHFFFAOYSA-N 1 0 424.545 3.081 20 0 HGADRO CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(c3ccc(C[N@H+](C)C4CC4)cn3)C[C@H]21 ZINC001164985851 722098224 /nfs/dbraw/zinc/09/82/24/722098224.db2.gz XFFVRTQIIRDTCB-MQSCRBSSSA-N 1 0 405.546 3.222 20 0 HGADRO c1ccc(-c2nccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164984718 722104936 /nfs/dbraw/zinc/10/49/36/722104936.db2.gz UEBFQJKJTJFHRQ-FCHUYYIVSA-N 1 0 401.514 3.266 20 0 HGADRO Clc1nc2c(c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)CCCC2 ZINC001164977269 722106069 /nfs/dbraw/zinc/10/60/69/722106069.db2.gz FNLXKACDCJSQBV-FXAWDEMLSA-N 1 0 413.953 3.131 20 0 HGADRO Clc1cccc2ncc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc12 ZINC001164983504 722106555 /nfs/dbraw/zinc/10/65/55/722106555.db2.gz QNJNVRYHKZSXRX-XLIONFOSSA-N 1 0 409.921 3.406 20 0 HGADRO COc1cccc2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164980107 722106847 /nfs/dbraw/zinc/10/68/47/722106847.db2.gz JIRMJFIYVWCAKC-RBBKRZOGSA-N 1 0 404.514 3.366 20 0 HGADRO FC(F)(Oc1ccc(Cl)nc1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978309 722108550 /nfs/dbraw/zinc/10/85/50/722108550.db2.gz OKKUUVULGLIBMY-WMZOPIPTSA-N 1 0 424.879 3.282 20 0 HGADRO CCc1cc2c(ncnc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)s1 ZINC001164977402 722115876 /nfs/dbraw/zinc/11/58/76/722115876.db2.gz NASISJQHKTZNKT-XLIONFOSSA-N 1 0 409.559 3.376 20 0 HGADRO CC(C)(C)OC(=O)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164980510 722117341 /nfs/dbraw/zinc/11/73/41/722117341.db2.gz RNENCRWYTDYVPZ-RTWAWAEBSA-N 1 0 424.545 3.159 20 0 HGADRO COc1ccc2cnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cc2c1 ZINC001164980963 722132050 /nfs/dbraw/zinc/13/20/50/722132050.db2.gz OGLNRLBBEMEMMR-NZQKXSOJSA-N 1 0 404.514 3.366 20 0 HGADRO COc1ccc2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164974131 722134243 /nfs/dbraw/zinc/13/42/43/722134243.db2.gz CJLGOQXLUZOFCS-OFNKIYASSA-N 1 0 404.514 3.366 20 0 HGADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ncnc5sc6c(c54)CCC6)CC[C@H]3C2)c1 ZINC001164980366 722139072 /nfs/dbraw/zinc/13/90/72/722139072.db2.gz NFSIRPJQQMFSEX-PKOBYXMFSA-N 1 0 421.570 3.302 20 0 HGADRO c1ccc(-c2cnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cn2)cc1 ZINC001164978016 722140493 /nfs/dbraw/zinc/14/04/93/722140493.db2.gz JDTVVWJOZZOWFH-FYYLOGMGSA-N 1 0 401.514 3.266 20 0 HGADRO Fc1ccc(-c2cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncn2)cc1 ZINC001164984624 722144893 /nfs/dbraw/zinc/14/48/93/722144893.db2.gz XXBFVXASIFJYAM-NZQKXSOJSA-N 1 0 419.504 3.405 20 0 HGADRO CCc1nc(Cl)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)n1 ZINC001164972642 722146294 /nfs/dbraw/zinc/14/62/94/722146294.db2.gz AFYNKMXTJQDTRO-HOTGVXAUSA-N 1 0 422.360 3.468 20 0 HGADRO CSc1ccc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164972562 722154004 /nfs/dbraw/zinc/15/40/04/722154004.db2.gz IKCCJTLQNCHQCS-PGRDOPGGSA-N 1 0 421.570 3.474 20 0 HGADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ccc(CN4CCOCC4)cn2)C3)c1 ZINC001164994970 722193159 /nfs/dbraw/zinc/19/31/59/722193159.db2.gz RDDHBPWZUKNLKW-DEOSSOPVSA-N 1 0 410.537 3.298 20 0 HGADRO COC(=O)c1nc(Cl)cnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994051 722200732 /nfs/dbraw/zinc/20/07/32/722200732.db2.gz DYILDHCVBUVVPP-FQEVSTJZSA-N 1 0 404.873 3.301 20 0 HGADRO CSc1ccc2ncnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2c1 ZINC001165004883 722257609 /nfs/dbraw/zinc/25/76/09/722257609.db2.gz WISKQLYYKHKSSW-UHFFFAOYSA-N 1 0 412.563 3.037 20 0 HGADRO Cc1cc(-c2ccccc2F)nnc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165004894 722257633 /nfs/dbraw/zinc/25/76/33/722257633.db2.gz WLYNKNISBPVVNF-UHFFFAOYSA-N 1 0 424.524 3.276 20 0 HGADRO COc1cc(Br)c(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)cc1O ZINC000494602487 1126094988 /nfs/dbraw/zinc/09/49/88/1126094988.db2.gz PBNOFQBSNZUXRH-AWEZNQCLSA-N 1 0 405.292 3.338 20 0 HGADRO CCOc1cc(C[NH2+]C2(CO)Cc3ccccc3C2)cc(Br)c1OC ZINC000583863065 1126098427 /nfs/dbraw/zinc/09/84/27/1126098427.db2.gz HXBHJVYBXUUPGB-UHFFFAOYSA-N 1 0 406.320 3.476 20 0 HGADRO OC[C@@H](Cc1ccccc1)[NH2+]Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000681375654 1126105824 /nfs/dbraw/zinc/10/58/24/1126105824.db2.gz YAZHRFHWWCAUQO-HXUWFJFHSA-N 1 0 409.555 3.340 20 0 HGADRO O=c1[nH]ccc2oc(C[NH2+][C@@]3(CO)CCc4cc(Br)ccc4C3)cc21 ZINC001179146620 1126151366 /nfs/dbraw/zinc/15/13/66/1126151366.db2.gz AVMIHUBEVJEJFG-IBGZPJMESA-N 1 0 403.276 3.306 20 0 HGADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cc(C3CN(C(=O)OC(C)(C)C)C3)no2)cc1 ZINC001180897711 1126152849 /nfs/dbraw/zinc/15/28/49/1126152849.db2.gz YNUWGZOGRFMVLC-SFHVURJKSA-N 1 0 401.507 3.011 20 0 HGADRO Cc1cccc2nc(C[NH2+][C@@]3(CO)CCc4cc(Br)ccc4C3)cn21 ZINC001307928322 1126162074 /nfs/dbraw/zinc/16/20/74/1126162074.db2.gz KZNPKGXNZNYRNE-FQEVSTJZSA-N 1 0 400.320 3.415 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(I)cc2)cc1 ZINC001308114064 1126162954 /nfs/dbraw/zinc/16/29/54/1126162954.db2.gz KTUYCICUMQBVLW-SFHVURJKSA-N 1 0 411.283 3.383 20 0 HGADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nc2ccccc2c(=O)[nH]1 ZINC001308118935 1126164168 /nfs/dbraw/zinc/16/41/68/1126164168.db2.gz WNPUUYSAGHVMOU-LJQANCHMSA-N 1 0 402.292 3.181 20 0 HGADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cnc(CCc3ccccc3)s2)[C@H](O)C1 ZINC001308496154 1126167607 /nfs/dbraw/zinc/16/76/07/1126167607.db2.gz QIPRCIABKJTMJS-RBUKOAKNSA-N 1 0 417.575 3.388 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cnc3ccc(Br)cn23)cc1 ZINC001308513688 1126167695 /nfs/dbraw/zinc/16/76/95/1126167695.db2.gz PNHZMWQVXIJCCM-IBGZPJMESA-N 1 0 404.308 3.189 20 0 HGADRO COc1ccc2nc(C[NH2+][C@@](C)(CO)Cc3ccc(OC)c(OC)c3)sc2c1 ZINC001461738537 1126196999 /nfs/dbraw/zinc/19/69/99/1126196999.db2.gz YORWQWAJLBPEFO-OAQYLSRUSA-N 1 0 402.516 3.405 20 0 HGADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nnc(C2CC2)n1C1CC1 ZINC001473840225 1126200558 /nfs/dbraw/zinc/20/05/58/1126200558.db2.gz SXPODRSQAWJULA-LJQANCHMSA-N 1 0 405.340 3.336 20 0 HGADRO COc1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cc1OC ZINC001474208788 1126202491 /nfs/dbraw/zinc/20/24/91/1126202491.db2.gz QCNPEZIIUAHQHB-FQEVSTJZSA-N 1 0 406.320 3.476 20 0 HGADRO CCn1c(Br)c(Br)nc1C[NH2+][C@H](CO)Cc1ccccc1 ZINC001560443134 1126211124 /nfs/dbraw/zinc/21/11/24/1126211124.db2.gz PNPHKZHRFYUJLT-LBPRGKRZSA-N 1 0 417.145 3.121 20 0 HGADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H](CO)Cc1ccc(O)cc1 ZINC001560752858 1126213780 /nfs/dbraw/zinc/21/37/80/1126213780.db2.gz OVUFONLMFMHXKY-GOSISDBHSA-N 1 0 416.319 3.342 20 0 HGADRO COC1(c2nc(C3CCOCC3)no2)CC[NH+](C[C@@H](O)c2cc(C)cc(C)c2)CC1 ZINC000583615845 560776311 /nfs/dbraw/zinc/77/63/11/560776311.db2.gz CLTNMLGHWLTRAA-HXUWFJFHSA-N 1 0 415.534 3.252 20 0 HGADRO CN1C(=O)C[C@@H](C[NH2+]Cc2cccnc2Cl)[C@@H]1c1cnn(-c2ccc(F)cc2)c1 ZINC000583623031 560776429 /nfs/dbraw/zinc/77/64/29/560776429.db2.gz LTYXFXZPLCPCAK-MGPUTAFESA-N 1 0 413.884 3.369 20 0 HGADRO CCOc1c(Br)cc(C[NH2+]CCN2CCOCC2)cc1Br ZINC000020477796 560884602 /nfs/dbraw/zinc/88/46/02/560884602.db2.gz DIZKECJGHQGUJW-UHFFFAOYSA-N 1 0 422.161 3.032 20 0 HGADRO COc1ccc(-c2nc3ccc(Cl)cc3c(N3CCN4CC[NH2+]C[C@@H]4C3)n2)cc1 ZINC001164398626 718835578 /nfs/dbraw/zinc/83/55/78/718835578.db2.gz IBEAZSDVXQKONL-QGZVFWFLSA-N 1 0 409.921 3.053 20 0 HGADRO Fc1ccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@H]4C3)c(Cl)nn2)cc1 ZINC001164407936 718865830 /nfs/dbraw/zinc/86/58/30/718865830.db2.gz LBADOJGBFHUTCF-SUMWQHHRSA-N 1 0 412.843 3.296 20 0 HGADRO FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)COc1ccc(Cl)nn1 ZINC001164413786 718880999 /nfs/dbraw/zinc/88/09/99/718880999.db2.gz NCIUAAXIVXLCSE-SNVBAGLBSA-N 1 0 400.779 3.251 20 0 HGADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001164420623 718891457 /nfs/dbraw/zinc/89/14/57/718891457.db2.gz VFYOTJUMTKAMKJ-AWEZNQCLSA-N 1 0 402.873 3.210 20 0 HGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN([C@H](F)Oc1ccc(Cl)nc1)C2 ZINC001164617449 719008848 /nfs/dbraw/zinc/00/88/48/719008848.db2.gz OESSNZHJWPYTDT-QSFXBCCZSA-N 1 0 411.905 3.012 20 0 HGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)c(-c2ccco2)c1 ZINC001164615347 719020300 /nfs/dbraw/zinc/02/03/00/719020300.db2.gz ILMNVBLHCXINAS-CQDKDKBSSA-N 1 0 411.836 3.270 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3nc(C)cc(Cl)n3)CC2)CC1 ZINC001164613736 719022114 /nfs/dbraw/zinc/02/21/14/719022114.db2.gz BDUADCSIYDVJDX-UHFFFAOYSA-N 1 0 416.900 3.227 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4c3SCC4)CC2)CC1 ZINC001164614836 719024390 /nfs/dbraw/zinc/02/43/90/719024390.db2.gz ZGGHBOQJITVEFF-UHFFFAOYSA-N 1 0 410.971 3.022 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(-c4ccccc4OC)ncn3)CC2)CC1 ZINC001164616388 719032735 /nfs/dbraw/zinc/03/27/35/719032735.db2.gz BADYRHSBWBYKAT-UHFFFAOYSA-N 1 0 424.545 3.396 20 0 HGADRO O=C(NC1CCCC1)c1ccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nn1 ZINC001164629599 719103618 /nfs/dbraw/zinc/10/36/18/719103618.db2.gz SUAZLCYBIQCOMB-KNQAVFIVSA-N 1 0 405.546 3.250 20 0 HGADRO CCOC(=O)[C@@H]1CCc2nnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)cc2C1 ZINC001164629043 719113310 /nfs/dbraw/zinc/11/33/10/719113310.db2.gz QOBFQRVLXYLVEY-VIZSFHNOSA-N 1 0 420.557 3.245 20 0 HGADRO Cc1ccnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164680962 719653825 /nfs/dbraw/zinc/65/38/25/719653825.db2.gz JZLIIAWNWKXQIW-HXUWFJFHSA-N 1 0 406.574 3.483 20 0 HGADRO CCc1nccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680468 719671948 /nfs/dbraw/zinc/67/19/48/719671948.db2.gz FQNFBTUBSHKIPN-LJQANCHMSA-N 1 0 421.589 3.132 20 0 HGADRO COc1cnc2c(c1)ncnc2N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164691676 719812837 /nfs/dbraw/zinc/81/28/37/719812837.db2.gz JPDJXHQMKRLHOC-UHFFFAOYSA-N 1 0 410.547 3.433 20 0 HGADRO COc1nc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)nc2c1ccn2C ZINC001164697159 719816254 /nfs/dbraw/zinc/81/62/54/719816254.db2.gz AENPGBDBQCKGTN-UHFFFAOYSA-N 1 0 412.563 3.377 20 0 HGADRO Cc1noc(-c2ccnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2)n1 ZINC001164705340 719899587 /nfs/dbraw/zinc/89/95/87/719899587.db2.gz AGCUGTIIJLZGHT-UHFFFAOYSA-N 1 0 411.531 3.373 20 0 HGADRO c1csc(C[N@@H+]2CCOC3(CCN(c4nccnc4OC4CCC4)CC3)C2)c1 ZINC001164705860 719903137 /nfs/dbraw/zinc/90/31/37/719903137.db2.gz DNECCYJNFBTYPQ-UHFFFAOYSA-N 1 0 400.548 3.341 20 0 HGADRO CCOC(=O)c1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)ncc1Cl ZINC001164814243 720077018 /nfs/dbraw/zinc/07/70/18/720077018.db2.gz WIUBOTWRSROELX-HRAATJIYSA-N 1 0 407.942 3.096 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)Oc1cccc(Cl)n1)C2 ZINC001164809785 720095133 /nfs/dbraw/zinc/09/51/33/720095133.db2.gz KHDJNIOQLURODM-CRAIPNDOSA-N 1 0 401.885 3.344 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)Oc1cccc(Cl)n1)C2 ZINC001164809788 720095444 /nfs/dbraw/zinc/09/54/44/720095444.db2.gz KHDJNIOQLURODM-YJBOKZPZSA-N 1 0 401.885 3.344 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3[nH]c(C)cc31)CC2 ZINC001164716226 720109741 /nfs/dbraw/zinc/10/97/41/720109741.db2.gz JLSVBWNZDZRCTC-IBGZPJMESA-N 1 0 406.534 3.169 20 0 HGADRO C=C(OCC)c1ccc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nn1 ZINC001164716962 720118137 /nfs/dbraw/zinc/11/81/37/720118137.db2.gz MLNLVASTSKHQKL-NRFANRHFSA-N 1 0 423.561 3.386 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3cc1C(=O)OC)C2 ZINC001164815424 720142254 /nfs/dbraw/zinc/14/22/54/720142254.db2.gz VNVKHJGKHNPUGO-YADARESESA-N 1 0 409.530 3.206 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc(-c3ccc(N(C)C)cc3)n1)C2 ZINC001164817536 720150009 /nfs/dbraw/zinc/15/00/09/720150009.db2.gz PUNQOEFSRGUIJY-BWKNWUBXSA-N 1 0 421.589 3.394 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc(-c3ccc(N(C)C)cc3)n1)C2 ZINC001164817542 720150575 /nfs/dbraw/zinc/15/05/75/720150575.db2.gz PUNQOEFSRGUIJY-SQJMNOBHSA-N 1 0 421.589 3.394 20 0 HGADRO Cc1cccc2c(C)cc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)nc12 ZINC001164712382 720169576 /nfs/dbraw/zinc/16/95/76/720169576.db2.gz GBTBUVLDHHVSLR-OAQYLSRUSA-N 1 0 420.561 3.196 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc3cc(OC)c(OC)cc3cn1)C2 ZINC001164818875 720177333 /nfs/dbraw/zinc/17/73/33/720177333.db2.gz VEDDOQHULFCSKO-YKSBVNFPSA-N 1 0 411.546 3.437 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(-c3nc(C(C)C)no3)ccn1)C2 ZINC001164820250 720184659 /nfs/dbraw/zinc/18/46/59/720184659.db2.gz ZVRWIEUFNGPLRZ-XXBNENTESA-N 1 0 411.550 3.440 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3sc(C)nc3C)nn1)C2 ZINC001164813047 720188539 /nfs/dbraw/zinc/18/85/39/720188539.db2.gz CCNRFOAIRYVUNZ-PGRDOPGGSA-N 1 0 413.591 3.402 20 0 HGADRO CC(C)c1c(Cl)ncnc1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164817706 720243546 /nfs/dbraw/zinc/24/35/46/720243546.db2.gz UEOCFUICSAXLFS-UHFFFAOYSA-N 1 0 404.946 3.061 20 0 HGADRO COc1ccc2nc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ccc2c1 ZINC001164819185 720310422 /nfs/dbraw/zinc/31/04/22/720310422.db2.gz CTEFMDKFDRIMLB-YADHBBJMSA-N 1 0 408.546 3.155 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cnc3cc(Cl)ccc3n2)CC1 ZINC001164818922 720311007 /nfs/dbraw/zinc/31/10/07/720311007.db2.gz BRWLBWVUQQEMMU-VQTJNVASSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nccc(-c3ccc(F)cc3)n2)CC1 ZINC001164823205 720315829 /nfs/dbraw/zinc/31/58/29/720315829.db2.gz PLJYQTYZQSSYQP-YADHBBJMSA-N 1 0 423.536 3.194 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc3c(Cl)ccnc3n2)CC1 ZINC001164828465 720324709 /nfs/dbraw/zinc/32/47/09/720324709.db2.gz JQHDNKABHFGHSL-MOPGFXCFSA-N 1 0 413.953 3.195 20 0 HGADRO COc1ccc2cnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)cc2c1 ZINC001164831991 720330024 /nfs/dbraw/zinc/33/00/24/720330024.db2.gz SRJLNKFCZQKADI-FCHUYYIVSA-N 1 0 408.546 3.155 20 0 HGADRO CCOC(=O)c1nc2ccccc2c(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164726647 720341185 /nfs/dbraw/zinc/34/11/85/720341185.db2.gz QTIUWCQPZBUDMP-VQTJNVASSA-N 1 0 403.486 3.055 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(-c3ccccc3F)nn2)CC1 ZINC001164831206 720344924 /nfs/dbraw/zinc/34/49/24/720344924.db2.gz YAGCAIHMOAPUHY-FCHUYYIVSA-N 1 0 423.536 3.194 20 0 HGADRO CCc1nc2sccc2c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164829337 720347849 /nfs/dbraw/zinc/34/78/49/720347849.db2.gz RKNXNKPRXVGTJC-MSOLQXFVSA-N 1 0 413.591 3.165 20 0 HGADRO Cc1nc(CO[C@@H]2CN(c3ccc(C[N@@H+](C)C4CC4)cn3)[C@H]3CCCO[C@H]23)cs1 ZINC001164825796 720392020 /nfs/dbraw/zinc/39/20/20/720392020.db2.gz VIGJJECOEFKKEN-VWPQPMDRSA-N 1 0 414.575 3.394 20 0 HGADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164731322 720396577 /nfs/dbraw/zinc/39/65/77/720396577.db2.gz ZCBVOBMYAUTLJQ-RTBURBONSA-N 1 0 413.953 3.465 20 0 HGADRO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1NCC1CC1 ZINC001164836532 720504368 /nfs/dbraw/zinc/50/43/68/720504368.db2.gz MXTPSYUJSWEXIA-PCCBWWKXSA-N 1 0 409.582 3.181 20 0 HGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(N4CCCCC4)nn3)CC[C@@H]21 ZINC001164837844 720506727 /nfs/dbraw/zinc/50/67/27/720506727.db2.gz PVIKICNYKMPELW-HKBOAZHASA-N 1 0 409.582 3.041 20 0 HGADRO CCOC(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1C ZINC001164836016 720507485 /nfs/dbraw/zinc/50/74/85/720507485.db2.gz LNVFLVANXJIWIQ-QKNQBKEWSA-N 1 0 411.550 3.141 20 0 HGADRO CCOC(=O)c1cc(C)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164834874 720519562 /nfs/dbraw/zinc/51/95/62/720519562.db2.gz HTSJFHCWLMRSAS-SVFBPWRDSA-N 1 0 411.550 3.141 20 0 HGADRO COc1ccc2cnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2c1 ZINC001164839433 720525739 /nfs/dbraw/zinc/52/57/39/720525739.db2.gz UGRJUSKBFMNTQS-XQBPLPMBSA-N 1 0 406.534 3.213 20 0 HGADRO COC(=O)c1ccc(Cl)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164839644 720553575 /nfs/dbraw/zinc/55/35/75/720553575.db2.gz RDJQBDCNYFRONS-TXPKVOOTSA-N 1 0 417.941 3.096 20 0 HGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc(N)cc(Cl)n3)CC[C@@H]21 ZINC001164840185 720559565 /nfs/dbraw/zinc/55/95/65/720559565.db2.gz SBOQOKWMTHRRDP-XIRDDKMYSA-N 1 0 424.927 3.436 20 0 HGADRO CCOC(=O)c1c(C)ccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164839823 720578510 /nfs/dbraw/zinc/57/85/10/720578510.db2.gz OVUQBVVYQPAMRT-SLFFLAALSA-N 1 0 411.550 3.141 20 0 HGADRO Fc1ccc(Oc2ccnc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)n2)cc1 ZINC001164736304 720587061 /nfs/dbraw/zinc/58/70/61/720587061.db2.gz HLCMBOORFZDFFH-UHFFFAOYSA-N 1 0 408.481 3.263 20 0 HGADRO CCOCc1cnc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164840288 720587220 /nfs/dbraw/zinc/58/72/20/720587220.db2.gz PWRKLWBFFYKWFY-YTQUADARSA-N 1 0 418.973 3.241 20 0 HGADRO COc1cccc2c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)cc(Cl)nc12 ZINC001164743751 720607033 /nfs/dbraw/zinc/60/70/33/720607033.db2.gz QKMRAPJLWLSNOI-LSDHHAIUSA-N 1 0 411.893 3.029 20 0 HGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc(-c4cccc(F)c4)n3)CC[C@@H]21 ZINC001164841352 720615434 /nfs/dbraw/zinc/61/54/34/720615434.db2.gz RZFXVDWHUVEQBY-GIVPXCGWSA-N 1 0 421.524 3.252 20 0 HGADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc(N3CCCC3)n1)CC2 ZINC001164840384 720655069 /nfs/dbraw/zinc/65/50/69/720655069.db2.gz MAUZADQJYJJLFZ-OAQYLSRUSA-N 1 0 407.562 3.337 20 0 HGADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)ccc1C(N)=O)CC2 ZINC001164841822 720691345 /nfs/dbraw/zinc/69/13/45/720691345.db2.gz JDRGNKBEXQNNBC-KRWDZBQOSA-N 1 0 414.937 3.094 20 0 HGADRO COc1cnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c2cc(Cl)ccc12 ZINC001164740108 720696806 /nfs/dbraw/zinc/69/68/06/720696806.db2.gz QARIHEZOSRGOIR-HZPDHXFCSA-N 1 0 411.893 3.029 20 0 HGADRO Cc1cc2nc(Cl)c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc2cc1C ZINC001164742322 720725361 /nfs/dbraw/zinc/72/53/61/720725361.db2.gz OEMRUNCMTDEAAR-CVEARBPZSA-N 1 0 410.909 3.032 20 0 HGADRO FC(F)(c1ccnc(Cl)c1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748956 720810535 /nfs/dbraw/zinc/81/05/35/720810535.db2.gz SBWRLIJANJRMJQ-KBAYOESNSA-N 1 0 422.911 3.251 20 0 HGADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@@H]2COC[C@@]2(C(=O)NCCc2ccccc2)C1 ZINC001164853655 720817516 /nfs/dbraw/zinc/81/75/16/720817516.db2.gz RJVPNNQDSITKAF-XXBNENTESA-N 1 0 413.949 3.277 20 0 HGADRO Cc1nc2ccc(F)cc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164739626 720820044 /nfs/dbraw/zinc/82/00/44/720820044.db2.gz HZAKBKIRGKBFIF-ZWCUEREDSA-N 1 0 421.524 3.048 20 0 HGADRO Clc1ccc(Cl)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164745124 720822689 /nfs/dbraw/zinc/82/26/89/720822689.db2.gz WKSIARVKJTYAQI-YQQAZPJKSA-N 1 0 407.349 3.359 20 0 HGADRO CSc1cc(Cl)ncc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164738358 720824158 /nfs/dbraw/zinc/82/41/58/720824158.db2.gz FBECGFCZGHICCU-BRWVUGGUSA-N 1 0 418.998 3.428 20 0 HGADRO Clc1ccnc(Cl)c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745092 720826306 /nfs/dbraw/zinc/82/63/06/720826306.db2.gz WDOAWEQZFHQVEQ-YQQAZPJKSA-N 1 0 407.349 3.359 20 0 HGADRO COc1ccc2cnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cc2c1 ZINC001164741905 720839720 /nfs/dbraw/zinc/83/97/20/720839720.db2.gz FVJMECHVQATDTJ-QNWVGRARSA-N 1 0 418.545 3.214 20 0 HGADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc4ccc(Cl)cc4nc3Cl)CC[C@@H]2C1 ZINC001164851405 720848340 /nfs/dbraw/zinc/84/83/40/720848340.db2.gz GWZBQWJHLPYDRU-DYVFJYSZSA-N 1 0 411.333 3.110 20 0 HGADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c(Cl)cccc43)CC[C@@H]2C1 ZINC001164851452 720850950 /nfs/dbraw/zinc/85/09/50/720850950.db2.gz HGHOSPPWIZKBOH-CJNGLKHVSA-N 1 0 411.333 3.110 20 0 HGADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc4ccccc4c(-c4ccccc4)n3)CC[C@@H]2C1 ZINC001164856003 720852509 /nfs/dbraw/zinc/85/25/09/720852509.db2.gz NHJSQBKNPHEUGN-NFBKMPQASA-N 1 0 418.541 3.470 20 0 HGADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)cc4c(Cl)ccnc43)CC[C@H]2C1 ZINC001164854009 720852587 /nfs/dbraw/zinc/85/25/87/720852587.db2.gz HYHFMNMQVVQMFH-XJKSGUPXSA-N 1 0 411.333 3.110 20 0 HGADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(Cl)nc4cc(OC)ccc43)CC[C@@H]2C1 ZINC001164862158 720853985 /nfs/dbraw/zinc/85/39/85/720853985.db2.gz ZEOKMXXLBJXXRB-FOIQADDNSA-N 1 0 405.926 3.070 20 0 HGADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc(Cl)c(Cl)n3)CC[C@@H]2C1 ZINC001164854974 720854241 /nfs/dbraw/zinc/85/42/41/720854241.db2.gz LWGHDIUZHPWPGH-TZMCWYRMSA-N 1 0 410.292 3.107 20 0 HGADRO CC(C)(c1ccnc(Cl)c1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164752855 720861180 /nfs/dbraw/zinc/86/11/80/720861180.db2.gz UTVZFICNOKFJQO-YZGWKJHDSA-N 1 0 414.985 3.437 20 0 HGADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)cc4cc(OC)ccc43)CC[C@@H]2C1 ZINC001164851960 720865630 /nfs/dbraw/zinc/86/56/30/720865630.db2.gz BILLHZZNFIDPLS-DNVCBOLYSA-N 1 0 405.926 3.070 20 0 HGADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)cc4cc(OC)ccc43)CC[C@H]2C1 ZINC001164851962 720865698 /nfs/dbraw/zinc/86/56/98/720865698.db2.gz BILLHZZNFIDPLS-HNAYVOBHSA-N 1 0 405.926 3.070 20 0 HGADRO Cc1cc(C)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164748453 720869762 /nfs/dbraw/zinc/86/97/62/720869762.db2.gz DXOJWWPVYVEGNW-VWNXMTODSA-N 1 0 407.562 3.244 20 0 HGADRO c1cc2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2[nH]1 ZINC001164752944 720871121 /nfs/dbraw/zinc/87/11/21/720871121.db2.gz NPFNJOMPFNEXQT-RDPSFJRHSA-N 1 0 418.545 3.108 20 0 HGADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(C(C)(C)C)nc(C(C)(C)C)n3)CC[C@H]2C1 ZINC001164863102 720873306 /nfs/dbraw/zinc/87/33/06/720873306.db2.gz SNJXKOPMMXYZBQ-ZWKOTPCHSA-N 1 0 404.599 3.245 20 0 HGADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ncnc4c2CCC4)C3)c1 ZINC001164755318 720875217 /nfs/dbraw/zinc/87/52/17/720875217.db2.gz WMXKITJJPZKTOO-SQJMNOBHSA-N 1 0 419.573 3.115 20 0 HGADRO Cc1ncc(F)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164752915 720879477 /nfs/dbraw/zinc/87/94/77/720879477.db2.gz NLELSHWUZNHXPI-REWPJTCUSA-N 1 0 411.525 3.074 20 0 HGADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(Cl)nc(-c4ccc(F)cc4)n3)CC[C@H]2C1 ZINC001164860542 720880496 /nfs/dbraw/zinc/88/04/96/720880496.db2.gz OURLDEMNHZIMBW-WMZOPIPTSA-N 1 0 420.916 3.110 20 0 HGADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)cc4cc(F)c(OC)cc43)CC[C@H]2C1 ZINC001164855958 720892926 /nfs/dbraw/zinc/89/29/26/720892926.db2.gz DSINOWCFLJBYTH-IFXJQAMLSA-N 1 0 423.916 3.209 20 0 HGADRO COc1cc2ncnc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c2c(OC)c1 ZINC001164864189 720970258 /nfs/dbraw/zinc/97/02/58/720970258.db2.gz ZEZFLMCDBLZCPI-HNNXBMFYSA-N 1 0 410.522 3.265 20 0 HGADRO COc1nc(-c2ccccc2)nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164861636 720974025 /nfs/dbraw/zinc/97/40/25/720974025.db2.gz QBDCPTTZGFMEIS-MRXNPFEDSA-N 1 0 407.522 3.165 20 0 HGADRO Cc1ccc2nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c(Cl)nc2c1 ZINC001164863968 721079952 /nfs/dbraw/zinc/07/99/52/721079952.db2.gz DKYPTTNWOIOMTF-ROUUACIJSA-N 1 0 409.921 3.466 20 0 HGADRO Cc1cccc2c(Cl)nnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164866001 721083870 /nfs/dbraw/zinc/08/38/70/721083870.db2.gz QXEGMOWBYNGUMF-ZWKOTPCHSA-N 1 0 409.921 3.466 20 0 HGADRO Fc1cccc(Oc2ccnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)c1 ZINC001164880703 721125344 /nfs/dbraw/zinc/12/53/44/721125344.db2.gz XDODDAXTJKZJNT-FPOVZHCZSA-N 1 0 421.476 3.283 20 0 HGADRO CC(C)(C)c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164872620 721127793 /nfs/dbraw/zinc/12/77/93/721127793.db2.gz HXWHLZCVOXFKNA-SJORKVTESA-N 1 0 401.942 3.302 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(C(=O)Nc5ccccc5)ccn4)C[C@H]3C2)cn1 ZINC001164773679 721138842 /nfs/dbraw/zinc/13/88/42/721138842.db2.gz YQDJBKALVQWTLY-NHCUHLMSSA-N 1 0 416.529 3.026 20 0 HGADRO COc1ccc(-c2cc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)ncn2)cc1 ZINC001164877017 721154142 /nfs/dbraw/zinc/15/41/42/721154142.db2.gz NWKJAFIURWEICN-IFMALSPDSA-N 1 0 417.513 3.027 20 0 HGADRO Clc1cc(-c2ccncc2)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164880737 721182771 /nfs/dbraw/zinc/18/27/71/721182771.db2.gz XJLHLSBQYMOXNE-RTBURBONSA-N 1 0 422.920 3.067 20 0 HGADRO FC(F)(Oc1ccnc(Cl)c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164879586 721183670 /nfs/dbraw/zinc/18/36/70/721183670.db2.gz UDIGHNNDKNNTOB-NVXWUHKLSA-N 1 0 410.852 3.034 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)nc5c(Cl)nccc54)C[C@H]3C2)cn1 ZINC001164762040 721190380 /nfs/dbraw/zinc/19/03/80/721190380.db2.gz CCTAQZYGCRCHOB-UONOGXRCSA-N 1 0 418.332 3.023 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncccc4OCc4ccc(F)cc4)C[C@H]3C2)cn1 ZINC001164770879 721213571 /nfs/dbraw/zinc/21/35/71/721213571.db2.gz PALARRALXAMTLW-LEWJYISDSA-N 1 0 421.520 3.492 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nccc(SCc5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164767206 721229043 /nfs/dbraw/zinc/22/90/43/721229043.db2.gz WFNDHPQQKNPDJH-RTWAWAEBSA-N 1 0 420.586 3.461 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4c(Cl)nc(Cl)nc4C4CC4)C[C@H]3C2)cn1 ZINC001164768866 721241493 /nfs/dbraw/zinc/24/14/93/721241493.db2.gz YHVRCTRWGOIEQS-LSDHHAIUSA-N 1 0 407.349 3.353 20 0 HGADRO COc1ccc(-c2ccc(N3CC4(C3)CC[N@H+](CC3CC3)C4)nn2)c(OC)c1OC ZINC001164774493 721301451 /nfs/dbraw/zinc/30/14/51/721301451.db2.gz DDXNEWKEUJHNBN-UHFFFAOYSA-N 1 0 410.518 3.092 20 0 HGADRO c1ccc(OC[C@@H]2C[C@@H]3OCCN(c4cccc(OCC[NH+]5CCCC5)n4)[C@H]3C2)nc1 ZINC001164881451 721313472 /nfs/dbraw/zinc/31/34/72/721313472.db2.gz WNVQJKQQZHWJTK-ACRUOGEOSA-N 1 0 424.545 3.014 20 0 HGADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc4ncccc43)C2)C1 ZINC001164778405 721338713 /nfs/dbraw/zinc/33/87/13/721338713.db2.gz VLWDZRVMNVYJJX-QHCPKHFHSA-N 1 0 407.518 3.354 20 0 HGADRO COc1cc(Cl)ncc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164777837 721343921 /nfs/dbraw/zinc/34/39/21/721343921.db2.gz IPNCBWDQGMITRN-OAQYLSRUSA-N 1 0 420.941 3.467 20 0 HGADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(N)cc(Cl)n3)C2)C1 ZINC001164780057 721344681 /nfs/dbraw/zinc/34/46/81/721344681.db2.gz ZFVSXYCNPKRPIQ-HXUWFJFHSA-N 1 0 405.930 3.041 20 0 HGADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)c(F)cc3N)C2)C1 ZINC001164785242 721360556 /nfs/dbraw/zinc/36/05/56/721360556.db2.gz SSTFQUCMANKGNF-FQEVSTJZSA-N 1 0 423.920 3.180 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3[C@H](C2)OCC(=O)N3c2cccc(F)c2)nc1 ZINC001164883226 721366892 /nfs/dbraw/zinc/36/68/92/721366892.db2.gz OINAEMDOLVWHND-VSKRKVRLSA-N 1 0 424.520 3.388 20 0 HGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(CC(=O)N(c4cnn(C)c4)C3)C2)nc1 ZINC001164886311 721373745 /nfs/dbraw/zinc/37/37/45/721373745.db2.gz MOEBWCDFPYGWAK-QPPBQGQZSA-N 1 0 422.577 3.386 20 0 HGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccnc(Cl)c4)C3)O2)CC1 ZINC001164885630 721382615 /nfs/dbraw/zinc/38/26/15/721382615.db2.gz CVSHCMBBRZJAEI-MJGOQNOKSA-N 1 0 414.928 3.045 20 0 HGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccnc(Cl)c4)C3)O2)CC1 ZINC001164885628 721382751 /nfs/dbraw/zinc/38/27/51/721382751.db2.gz CVSHCMBBRZJAEI-IEBWSBKVSA-N 1 0 414.928 3.045 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(Oc5ccccc5)ncn4)C3)O2)CC1 ZINC001164886705 721392914 /nfs/dbraw/zinc/39/29/14/721392914.db2.gz FOFLYFVHZQVWKL-URXFXBBRSA-N 1 0 423.561 3.034 20 0 HGADRO CCc1c(Cl)nnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1CC ZINC001164884071 721413647 /nfs/dbraw/zinc/41/36/47/721413647.db2.gz DAGHYZMTRIIDNT-HTAPYJJXSA-N 1 0 422.017 3.020 20 0 HGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncc5c(Cl)cccc5n4)C3)O2)CC1 ZINC001164888975 721417185 /nfs/dbraw/zinc/41/71/85/721417185.db2.gz PVXOBPDAQUMTGT-VGSWGCGISA-N 1 0 415.969 3.049 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncc5ccc(Cl)cc5n4)C3)O2)CC1 ZINC001164884551 721419155 /nfs/dbraw/zinc/41/91/55/721419155.db2.gz DUUYYIXZKGTTSW-UGKGYDQZSA-N 1 0 415.969 3.049 20 0 HGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc5c(Cl)ccnc5n4)C3)O2)CC1 ZINC001164889524 721419773 /nfs/dbraw/zinc/41/97/73/721419773.db2.gz RJEZUUNNRWPRSH-VGSWGCGISA-N 1 0 415.969 3.049 20 0 HGADRO Cc1nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c(Cl)cc1Cl ZINC001164893121 721428358 /nfs/dbraw/zinc/42/83/58/721428358.db2.gz JBWMCRYMTYXGMG-OXJNMPFZSA-N 1 0 413.393 3.462 20 0 HGADRO CSc1cc(Cl)cnc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164898297 721429906 /nfs/dbraw/zinc/42/99/06/721429906.db2.gz VQLKUDZYNWPSNZ-PXNSSMCTSA-N 1 0 411.015 3.222 20 0 HGADRO CCc1nc2sccc2c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164893046 721443813 /nfs/dbraw/zinc/44/38/13/721443813.db2.gz IUOKZBUWNVXQEK-VGSWGCGISA-N 1 0 415.607 3.019 20 0 HGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)nc3ccoc31)CC2 ZINC001164786757 721448364 /nfs/dbraw/zinc/44/83/64/721448364.db2.gz NKKVLGZZQSXZPI-IBGZPJMESA-N 1 0 414.550 3.265 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3sccc31)CC2 ZINC001164784480 721448445 /nfs/dbraw/zinc/44/84/45/721448445.db2.gz FSAQZNGSWOOIDL-GOSISDBHSA-N 1 0 416.591 3.425 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)nc3[nH]ccc31)CC2 ZINC001164783269 721454076 /nfs/dbraw/zinc/45/40/76/721454076.db2.gz AYPBULDLJVNJLA-LJQANCHMSA-N 1 0 413.566 3.000 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)c(C)nc1Cl)CC2 ZINC001164787718 721460522 /nfs/dbraw/zinc/46/05/22/721460522.db2.gz RVIIKRCGXJVABQ-LJQANCHMSA-N 1 0 423.001 3.481 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)cnc1Cl)CC2 ZINC001164783916 721461041 /nfs/dbraw/zinc/46/10/41/721461041.db2.gz GJMWAZZLHTYQHC-GOSISDBHSA-N 1 0 408.974 3.172 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(Cl)c(OC)n1)CC2 ZINC001164784417 721464216 /nfs/dbraw/zinc/46/42/16/721464216.db2.gz HVFXKNQWZILRMG-GOSISDBHSA-N 1 0 423.985 3.478 20 0 HGADRO C[N@H+](Cc1ccc(N2CCCC[C@@]23CC(=O)N(Cc2cccnc2)C3)nc1)C1CC1 ZINC001164897012 721475912 /nfs/dbraw/zinc/47/59/12/721475912.db2.gz ZLLUETDLSAUSTR-DEOSSOPVSA-N 1 0 405.546 3.232 20 0 HGADRO O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2c1ncccc1C[NH+]1CCCC1 ZINC001164895162 721476090 /nfs/dbraw/zinc/47/60/90/721476090.db2.gz RFLOIJSIVTYULH-DEOSSOPVSA-N 1 0 405.546 3.234 20 0 HGADRO Cn1cnc2c1nc(Cl)nc2N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792284 721494048 /nfs/dbraw/zinc/49/40/48/721494048.db2.gz MZBGWXLEWBAOOW-UHFFFAOYSA-N 1 0 411.941 3.293 20 0 HGADRO CCOC(=O)c1cnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc1C ZINC001164792962 721494822 /nfs/dbraw/zinc/49/48/22/721494822.db2.gz WJKGUSLKEBMWOE-UHFFFAOYSA-N 1 0 409.534 3.238 20 0 HGADRO CCOC(=O)c1c(C)ncnc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792022 721495932 /nfs/dbraw/zinc/49/59/32/721495932.db2.gz JZZOBXMJKGUINT-UHFFFAOYSA-N 1 0 409.534 3.238 20 0 HGADRO CCOC(=O)c1cnc(Cl)cc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900770 721509631 /nfs/dbraw/zinc/50/96/31/721509631.db2.gz UPMJXLAHOJDIBS-RDJZCZTQSA-N 1 0 419.884 3.393 20 0 HGADRO COC(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164900660 721514327 /nfs/dbraw/zinc/51/43/27/721514327.db2.gz SORNLRDCRBXZTC-DOTOQJQBSA-N 1 0 405.857 3.003 20 0 HGADRO Cc1nc(Cl)cc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164900722 721519524 /nfs/dbraw/zinc/51/95/24/721519524.db2.gz UIIBTKRANSXKAN-ZBFHGGJFSA-N 1 0 412.843 3.464 20 0 HGADRO COc1cc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2cc1OC ZINC001164900990 721519775 /nfs/dbraw/zinc/51/97/75/721519775.db2.gz VLUKZVTXLUJMKL-AEFFLSMTSA-N 1 0 424.476 3.128 20 0 HGADRO COC(=O)c1cc(Cl)cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164901430 721520716 /nfs/dbraw/zinc/52/07/16/721520716.db2.gz XEWUYJGOTCXPSQ-WBVHZDCISA-N 1 0 405.857 3.003 20 0 HGADRO Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc(Cl)n1 ZINC001164900060 721526053 /nfs/dbraw/zinc/52/60/53/721526053.db2.gz NQMQYYMTWWTZDC-GOEBONIOSA-N 1 0 412.843 3.464 20 0 HGADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)nc5c4SCC5)CC[N@@H+]3C2)c1 ZINC001164903952 721527158 /nfs/dbraw/zinc/52/71/58/721527158.db2.gz DLAYVFCHLRUCMD-UKRRQHHQSA-N 1 0 406.914 3.259 20 0 HGADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nnc(Cl)c5c4CCCC5)CC[N@@H+]3C2)c1 ZINC001164903491 721530118 /nfs/dbraw/zinc/53/01/18/721530118.db2.gz CZPYLHOLKLCNHH-WBVHZDCISA-N 1 0 402.901 3.490 20 0 HGADRO CC(C)(C)NC(=O)c1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164904719 721534619 /nfs/dbraw/zinc/53/46/19/721534619.db2.gz GBYGUXCSQMWERI-AZUAARDMSA-N 1 0 412.509 3.091 20 0 HGADRO COc1nc(-c2ccccc2)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164902669 721541407 /nfs/dbraw/zinc/54/14/07/721541407.db2.gz AWMJRDQWTQMBSY-ICSRJNTNSA-N 1 0 421.476 3.028 20 0 HGADRO CCOc1cc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164799064 721550993 /nfs/dbraw/zinc/55/09/93/721550993.db2.gz ALIUVTURERXYMV-WFXMLNOXSA-N 1 0 402.926 3.397 20 0 HGADRO Cc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc(-c2ccccn2)n1 ZINC001164906470 721552778 /nfs/dbraw/zinc/55/27/78/721552778.db2.gz JKGMXHZCICPKSG-AZUAARDMSA-N 1 0 405.477 3.328 20 0 HGADRO CC1CCN(c2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)CC1 ZINC001164911666 721554954 /nfs/dbraw/zinc/55/49/54/721554954.db2.gz ZKJCFWBXWLRIKU-TZIWHRDSSA-N 1 0 411.525 3.194 20 0 HGADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4cncc(N5CCCCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164903542 721559961 /nfs/dbraw/zinc/55/99/61/721559961.db2.gz CCYWJVDAFZZQBQ-PZJWPPBQSA-N 1 0 411.525 3.338 20 0 HGADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)CC[N@@H+]3C2)c1 ZINC001164910447 721562883 /nfs/dbraw/zinc/56/28/83/721562883.db2.gz WZIMIDPETLMIQL-ICSRJNTNSA-N 1 0 421.476 3.490 20 0 HGADRO CCCSc1ncnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1OC ZINC001164904212 721566210 /nfs/dbraw/zinc/56/62/10/721566210.db2.gz DJIZPNFNEZLRPQ-SJLPKXTDSA-N 1 0 418.538 3.468 20 0 HGADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc5c(nc4Cl)CCCC5)CC[N@@H+]3C2)c1 ZINC001164910243 721566791 /nfs/dbraw/zinc/56/67/91/721566791.db2.gz WBZZRNNGKPMKIH-WBVHZDCISA-N 1 0 402.901 3.490 20 0 HGADRO CCCN(CCC)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ncn1 ZINC001164802910 721567197 /nfs/dbraw/zinc/56/71/97/721567197.db2.gz ISLDEUIWUIXTSY-AWRGLXIESA-N 1 0 424.593 3.366 20 0 HGADRO COc1cc(C)c2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1 ZINC001164903499 721568720 /nfs/dbraw/zinc/56/87/20/721568720.db2.gz BODFJROYDKXBPS-XLIONFOSSA-N 1 0 408.477 3.428 20 0 HGADRO CN(C)C(=O)[C@H]1CC12CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CC2 ZINC001164903650 721571554 /nfs/dbraw/zinc/57/15/54/721571554.db2.gz QRNCRCAXUQHNON-QGZVFWFLSA-N 1 0 424.923 3.351 20 0 HGADRO COC(=O)c1cc(F)cnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164903575 721585426 /nfs/dbraw/zinc/58/54/26/721585426.db2.gz AIWXNFJGNGXVRY-FQEVSTJZSA-N 1 0 420.435 3.140 20 0 HGADRO Cc1cncc(COC[C@@]23CCC[C@@H]2CN(c2cccc(N4CC[NH+](C)CC4)n2)C3)c1 ZINC001164797838 721601290 /nfs/dbraw/zinc/60/12/90/721601290.db2.gz CKHOXLLUJGLCDU-RDGATRHJSA-N 1 0 421.589 3.360 20 0 HGADRO FC1(F)CCN(c2cc(OCC3CC3)ncn2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904823 721711437 /nfs/dbraw/zinc/71/14/37/721711437.db2.gz DGJZLAUGXCGDBT-NRFANRHFSA-N 1 0 415.488 3.398 20 0 HGADRO CN(Cc1ccco1)Cc1cncc2c1CCN(c1nccc(C3CC[NH2+]CC3)n1)C2 ZINC001164909621 721758522 /nfs/dbraw/zinc/75/85/22/721758522.db2.gz KBZXPCMDQWMEAD-UHFFFAOYSA-N 1 0 418.545 3.126 20 0 HGADRO C[C@@H]1CC(=O)Nc2ncnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c21 ZINC001165026517 721813277 /nfs/dbraw/zinc/81/32/77/721813277.db2.gz QYQFXNDNSOYREK-JFRXWTBNSA-N 1 0 406.534 3.054 20 0 HGADRO CCOC(=O)c1cnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(OC)c1 ZINC001165024231 721817178 /nfs/dbraw/zinc/81/71/78/721817178.db2.gz KAAQAKQEIUTMLT-DZFGPLHGSA-N 1 0 424.545 3.399 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc4ncnc(Cl)c4n3)C[C@H]21 ZINC001165025512 721818270 /nfs/dbraw/zinc/81/82/70/721818270.db2.gz NCKBCHPIQQJJFL-YXJHDRRASA-N 1 0 409.925 3.205 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3ncn4C3CC3)C[C@H]21 ZINC001165024438 721825034 /nfs/dbraw/zinc/82/50/34/721825034.db2.gz JVRSQVFZMPNRPB-PWIZWCRZSA-N 1 0 403.534 3.293 20 0 HGADRO COc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc2c1ccn2C ZINC001165027003 721830523 /nfs/dbraw/zinc/83/05/23/721830523.db2.gz QSMONAAGPFMQMG-DBVUQKKJSA-N 1 0 406.534 3.109 20 0 HGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nccc(N3CCCC3)n2)CC1 ZINC001165017098 721837663 /nfs/dbraw/zinc/83/76/63/721837663.db2.gz HSGJJBADRIJXGJ-UHFFFAOYSA-N 1 0 411.550 3.195 20 0 HGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)ncc2OC)CC1 ZINC001165020375 721837995 /nfs/dbraw/zinc/83/79/95/721837995.db2.gz IQNQBWFJJAABNB-UHFFFAOYSA-N 1 0 406.914 3.257 20 0 HGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc3c2COC3)CC1 ZINC001165019329 721840022 /nfs/dbraw/zinc/84/00/22/721840022.db2.gz DEXMDGMLVHZSMT-UHFFFAOYSA-N 1 0 418.925 3.278 20 0 HGADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nccc(N5CCCC5)n4)CC3)C2)cc1 ZINC001164938430 721919790 /nfs/dbraw/zinc/91/97/90/721919790.db2.gz OEDBCUNLDKBJCK-UHFFFAOYSA-N 1 0 407.562 3.257 20 0 HGADRO COC(=O)c1cc(C)nc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001164937322 721920972 /nfs/dbraw/zinc/92/09/72/721920972.db2.gz BYBGNNZJYUKBAZ-UHFFFAOYSA-N 1 0 409.530 3.356 20 0 HGADRO COC(=O)c1ccnc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1C ZINC001164939389 721924006 /nfs/dbraw/zinc/92/40/06/721924006.db2.gz LHJZITBBQXAZGT-UHFFFAOYSA-N 1 0 409.530 3.356 20 0 HGADRO c1nc2c(ncnc2N2CC[NH+](CCOc3ccccc3)CC2)n1-c1ccccc1 ZINC000647848736 721961401 /nfs/dbraw/zinc/96/14/01/721961401.db2.gz QEJNKFYSNMPGTD-UHFFFAOYSA-N 1 0 400.486 3.017 20 0 HGADRO c1cc2nc(N3CCCC[C@H]3CC[NH+]3CCCC3)nc(N3CCOCC3)c2s1 ZINC001165046122 721966823 /nfs/dbraw/zinc/96/68/23/721966823.db2.gz BPOBSTZFBSHUGR-KRWDZBQOSA-N 1 0 401.580 3.373 20 0 HGADRO CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3ncccc3C[NH+]3CCCC3)C[C@H]12 ZINC001164943757 721968023 /nfs/dbraw/zinc/96/80/23/721968023.db2.gz GFRCETMAQLSHSN-ZCYQVOJMSA-N 1 0 404.558 3.446 20 0 HGADRO CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCCC[C@@H]2CC[NH+]2CCCC2)nc1 ZINC001165048716 721976244 /nfs/dbraw/zinc/97/62/44/721976244.db2.gz KRHWMINKMROAGV-RTBURBONSA-N 1 0 408.612 3.393 20 0 HGADRO Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(c2cc(C[NH+](C)C)ccn2)C3)n1 ZINC001164962724 722027425 /nfs/dbraw/zinc/02/74/25/722027425.db2.gz ROBZAFYRYYSJSJ-UPVQGACJSA-N 1 0 410.562 3.439 20 0 HGADRO Clc1nc2[nH]ccc2c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164961909 722051730 /nfs/dbraw/zinc/05/17/30/722051730.db2.gz YBWWVFXXOSQTCW-UHFFFAOYSA-N 1 0 412.925 3.125 20 0 HGADRO CC(C)(C)Oc1ccnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164962554 722056230 /nfs/dbraw/zinc/05/62/30/722056230.db2.gz FLGHUYULHIUXSB-UHFFFAOYSA-N 1 0 411.550 3.168 20 0 HGADRO CSc1cnc(Cl)c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164961514 722058721 /nfs/dbraw/zinc/05/87/21/722058721.db2.gz LDDBPCMAZLJDLZ-UHFFFAOYSA-N 1 0 419.982 3.366 20 0 HGADRO c1ccc(-c2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nn2)nc1 ZINC001164959957 722061039 /nfs/dbraw/zinc/06/10/39/722061039.db2.gz AKWBMVPTMVIBLP-UHFFFAOYSA-N 1 0 416.529 3.053 20 0 HGADRO FC(F)(c1ccc(Cl)nc1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981346 722098679 /nfs/dbraw/zinc/09/86/79/722098679.db2.gz LDPSFBSEVXSMBQ-AEFFLSMTSA-N 1 0 408.880 3.402 20 0 HGADRO Clc1nc2c(c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n1)CCCC2 ZINC001164977272 722106293 /nfs/dbraw/zinc/10/62/93/722106293.db2.gz FNLXKACDCJSQBV-XLIONFOSSA-N 1 0 413.953 3.131 20 0 HGADRO Clc1cccc2ncc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc12 ZINC001164983506 722106703 /nfs/dbraw/zinc/10/67/03/722106703.db2.gz QNJNVRYHKZSXRX-YLJYHZDGSA-N 1 0 409.921 3.406 20 0 HGADRO c1ccc(Oc2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164982319 722107358 /nfs/dbraw/zinc/10/73/58/722107358.db2.gz NMVFDZGZONEXKE-IRLDBZIGSA-N 1 0 417.513 3.391 20 0 HGADRO FC(F)(Oc1ccc(Cl)nc1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978306 722108817 /nfs/dbraw/zinc/10/88/17/722108817.db2.gz OKKUUVULGLIBMY-SJLPKXTDSA-N 1 0 424.879 3.282 20 0 HGADRO Clc1nnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c2c1CCCC2 ZINC001164970860 722112710 /nfs/dbraw/zinc/11/27/10/722112710.db2.gz AAQIZFWVPWVFFF-XLIONFOSSA-N 1 0 413.953 3.131 20 0 HGADRO Clc1ccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncc2c1 ZINC001164978164 722122443 /nfs/dbraw/zinc/12/24/43/722122443.db2.gz NQRBQGKZUNNZGO-UWJYYQICSA-N 1 0 409.921 3.406 20 0 HGADRO CCc1nc2sccc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164980959 722150494 /nfs/dbraw/zinc/15/04/94/722150494.db2.gz OFZWXTHKQZPEDM-PKOBYXMFSA-N 1 0 409.559 3.376 20 0 HGADRO CSc1ccc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164972554 722154226 /nfs/dbraw/zinc/15/42/26/722154226.db2.gz IKCCJTLQNCHQCS-AVRDEDQJSA-N 1 0 421.570 3.474 20 0 HGADRO CCc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)nc1C ZINC001164977118 722157413 /nfs/dbraw/zinc/15/74/13/722157413.db2.gz XDOOGRVXRNEYKK-PKOBYXMFSA-N 1 0 401.942 3.123 20 0 HGADRO COc1cc(C)c2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164977127 722158611 /nfs/dbraw/zinc/15/86/11/722158611.db2.gz XGNKTHHMCOIOAQ-UGKGYDQZSA-N 1 0 419.529 3.069 20 0 HGADRO C[NH+]1CCN(c2cccc(N3CCC[C@@]4(C[C@H](OCC5CCCC5)CO4)C3)n2)CC1 ZINC001164981219 722165190 /nfs/dbraw/zinc/16/51/90/722165190.db2.gz PSBFXACVNRGSIQ-XUZZJYLKSA-N 1 0 414.594 3.168 20 0 HGADRO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N5CCCC5)cc[nH+]4)CC[C@H]32)cs1 ZINC001164991681 722184088 /nfs/dbraw/zinc/18/40/88/722184088.db2.gz QJGABRAFOBCZPI-NHCUHLMSSA-N 1 0 413.591 3.317 20 0 HGADRO CNC(=O)c1nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ccc1Cl ZINC001164995674 722203480 /nfs/dbraw/zinc/20/34/80/722203480.db2.gz PAQZSTGZGMIMBJ-NRFANRHFSA-N 1 0 402.901 3.479 20 0 HGADRO COC(OC)c1c(CO)ccnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164997252 722206072 /nfs/dbraw/zinc/20/60/72/722206072.db2.gz XQFQBZKFEBBYHV-HSZRJFAPSA-N 1 0 415.509 3.249 20 0 HGADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(F)cc3ncnc(Cl)c31)CCC2 ZINC001165002712 722255564 /nfs/dbraw/zinc/25/55/64/722255564.db2.gz TUOKZVZIANGMSZ-UHFFFAOYSA-N 1 0 418.904 3.107 20 0 HGADRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000466918345 1126094398 /nfs/dbraw/zinc/09/43/98/1126094398.db2.gz LLWNFOJLUZHVHE-OAQYLSRUSA-N 1 0 418.965 3.053 20 0 HGADRO OC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000500240947 1126095267 /nfs/dbraw/zinc/09/52/67/1126095267.db2.gz CDNNAWLDJQCWSF-MRXNPFEDSA-N 1 0 410.283 3.443 20 0 HGADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2cn(-c3ccccc3Br)nn2)cc1 ZINC000572651845 1126098181 /nfs/dbraw/zinc/09/81/81/1126098181.db2.gz VJRDJIOUTISHMP-MRXNPFEDSA-N 1 0 401.308 3.031 20 0 HGADRO OC[C@H](Cc1ccccc1)[NH2+]Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000682088849 1126105837 /nfs/dbraw/zinc/10/58/37/1126105837.db2.gz YAZHRFHWWCAUQO-FQEVSTJZSA-N 1 0 409.555 3.340 20 0 HGADRO OC[C@]1([NH2+]Cc2cc(C(F)(F)F)n[nH]2)CCc2cc(Br)ccc2C1 ZINC001179146684 1126151391 /nfs/dbraw/zinc/15/13/91/1126151391.db2.gz BKXNKJHQRSISKO-HNNXBMFYSA-N 1 0 404.230 3.201 20 0 HGADRO O=c1[nH]c(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)nc2ccccc12 ZINC001196104536 1126153576 /nfs/dbraw/zinc/15/35/76/1126153576.db2.gz NRAQJRTXYZMBJR-FQEVSTJZSA-N 1 0 414.303 3.108 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(C)c(Br)cn2)cc1OC ZINC001203581585 1126159023 /nfs/dbraw/zinc/15/90/23/1126159023.db2.gz PSHCJXLSMDUMOR-LJQANCHMSA-N 1 0 409.324 3.253 20 0 HGADRO Cc1c(-c2cc(C[NH2+][C@@](C)(CO)Cc3ccc(Br)cc3)on2)cnn1C ZINC001198217755 1126154641 /nfs/dbraw/zinc/15/46/41/1126154641.db2.gz AQWGYUMEEGONKQ-LJQANCHMSA-N 1 0 419.323 3.229 20 0 HGADRO COC(=O)c1cccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC001307928960 1126162050 /nfs/dbraw/zinc/16/20/50/1126162050.db2.gz PWEPJSRHTIFCIO-FQEVSTJZSA-N 1 0 404.304 3.245 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2c(Cl)n(C)nc2C(F)(F)F)cc1OC ZINC001308116834 1126163395 /nfs/dbraw/zinc/16/33/95/1126163395.db2.gz FAXWYVFBSZKXCS-KRWDZBQOSA-N 1 0 421.847 3.193 20 0 HGADRO CCOC(=O)c1ncc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)s1 ZINC001460872204 1126193172 /nfs/dbraw/zinc/19/31/72/1126193172.db2.gz UMOSRKJAKOIVBU-KRWDZBQOSA-N 1 0 413.337 3.166 20 0 HGADRO CCc1oc(C(=O)OC)cc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC001473641119 1126198123 /nfs/dbraw/zinc/19/81/23/1126198123.db2.gz GADZFLSIOLPNOM-FQEVSTJZSA-N 1 0 422.319 3.401 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccccc2I)cc1 ZINC001461733978 1126196748 /nfs/dbraw/zinc/19/67/48/1126196748.db2.gz BAXXLVRVFNRLLE-GOSISDBHSA-N 1 0 411.283 3.383 20 0 HGADRO CN(C)c1cc(Cl)nc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)n1 ZINC001164387198 718814470 /nfs/dbraw/zinc/81/44/70/718814470.db2.gz FCKBQEXRYITXOM-GFCCVEGCSA-N 1 0 413.822 3.252 20 0 HGADRO OC[C@]12C[NH2+]C[C@H]1CN(C(F)(F)c1nc3cc(Cl)c(Cl)cc3nc1Cl)C2 ZINC001164403795 718851979 /nfs/dbraw/zinc/85/19/79/718851979.db2.gz IRJDIBFNCBJCTQ-VXJOIVPMSA-N 1 0 423.678 3.153 20 0 HGADRO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CCO[C@H]2C[NH2+]CC[C@H]2C1 ZINC001164410268 718864826 /nfs/dbraw/zinc/86/48/26/718864826.db2.gz YPURFFOCHUDNTP-FZMZJTMJSA-N 1 0 400.882 3.218 20 0 HGADRO Cc1ccc(-c2cc(C(F)(F)N3CCO[C@H]4C[NH2+]CC[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164408327 718865394 /nfs/dbraw/zinc/86/53/94/718865394.db2.gz LNUMWKWMWCIDFE-QAPCUYQASA-N 1 0 408.880 3.465 20 0 HGADRO O=C(Nc1cccnc1Cl)OCC(F)(F)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001164427119 718946743 /nfs/dbraw/zinc/94/67/43/718946743.db2.gz ATQCGLIVTQOXHP-GOEBONIOSA-N 1 0 408.836 3.448 20 0 HGADRO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1C[C@@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164430420 718947338 /nfs/dbraw/zinc/94/73/38/718947338.db2.gz UUCJQVDUKNOXNC-CVEARBPZSA-N 1 0 408.836 3.448 20 0 HGADRO Cc1nc2c(n1-c1nc(CN3CCCC3)nc3sc4c(c31)CCCC4)CC[NH2+]CC2 ZINC001164427427 718949522 /nfs/dbraw/zinc/94/95/22/718949522.db2.gz CMSCLLAJGRTTNZ-UHFFFAOYSA-N 1 0 422.602 3.348 20 0 HGADRO F[C@]1(N2CCC[C@@H]3[NH2+]C[C@H]32)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164447224 718997680 /nfs/dbraw/zinc/99/76/80/718997680.db2.gz BNANGIMMYXTVCK-YRNRMSPPSA-N 1 0 422.335 3.358 20 0 HGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cccc(Cl)n1)C2 ZINC001164616702 719006569 /nfs/dbraw/zinc/00/65/69/719006569.db2.gz LHFCPIVTLGQUFG-LIRRHRJNSA-N 1 0 413.896 3.429 20 0 HGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(Cl)nc(-c2ccccc2)n1 ZINC001164617773 719015873 /nfs/dbraw/zinc/01/58/73/719015873.db2.gz PHXRSAFFYLGQQX-ILXRZTDVSA-N 1 0 422.863 3.072 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(SC)nc4c3CCCC4)CC2)CC1 ZINC001164613741 719025876 /nfs/dbraw/zinc/02/58/76/719025876.db2.gz BJXWEOFWECMCAI-UHFFFAOYSA-N 1 0 418.607 3.321 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C)c4cc(OC)ccc4n3)CC2)CC1 ZINC001164617886 719027948 /nfs/dbraw/zinc/02/79/48/719027948.db2.gz QTPLPLZEOZQIPF-UHFFFAOYSA-N 1 0 412.534 3.191 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(N)cc(Cl)n3)CC2)CC1 ZINC001164617559 719028117 /nfs/dbraw/zinc/02/81/17/719028117.db2.gz ONHCMINXUDAQMB-UHFFFAOYSA-N 1 0 416.900 3.106 20 0 HGADRO C[NH+]1CCN(c2cccc(N3C[C@@H]4C[C@@H](c5nc(C6CC6)cs5)O[C@@H]4C3)n2)CC1 ZINC001164645564 719289587 /nfs/dbraw/zinc/28/95/87/719289587.db2.gz KMJKKDFAPAVUGT-YTQUADARSA-N 1 0 411.575 3.134 20 0 HGADRO CCN(C)c1cc(C)[nH+]c(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)n1 ZINC001164669720 719491510 /nfs/dbraw/zinc/49/15/10/719491510.db2.gz VIZVUCIUAGVKGS-UHFFFAOYSA-N 1 0 413.541 3.252 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C(=O)N3CCCC3)C[C@@H]3OCC[C@H]32)nc1 ZINC001164679416 719544525 /nfs/dbraw/zinc/54/45/25/719544525.db2.gz ZXSOFUJDVQGBFG-YSFYHYPLSA-N 1 0 412.578 3.235 20 0 HGADRO Cc1cc(C)c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nn1 ZINC001164680349 719663898 /nfs/dbraw/zinc/66/38/98/719663898.db2.gz FUNKSOKGRNZBDH-HXUWFJFHSA-N 1 0 421.589 3.187 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1nc3ccccc3nc1Cl)CC2 ZINC001164687439 719727774 /nfs/dbraw/zinc/72/77/74/719727774.db2.gz XKMIIHXQIPZQJI-UHFFFAOYSA-N 1 0 423.895 3.009 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C)nc3sc4c(c31)CCCC4)CC2 ZINC001164690236 719740556 /nfs/dbraw/zinc/74/05/56/719740556.db2.gz 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CCOc1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164756817 720884045 /nfs/dbraw/zinc/88/40/45/720884045.db2.gz RDHHMVALLICLTI-XUZZJYLKSA-N 1 0 423.561 3.025 20 0 HGADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncccc1C(=O)N1CCCCC1)[C@H]2C ZINC001164859809 720926993 /nfs/dbraw/zinc/92/69/93/720926993.db2.gz QAWCNLSLRRAMRB-SFHVURJKSA-N 1 0 410.566 3.326 20 0 HGADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2cc4c(nn2)CCC4)C3)c1 ZINC001164747943 720929195 /nfs/dbraw/zinc/92/91/95/720929195.db2.gz FAADHLXQEPNGCG-RCZVLFRGSA-N 1 0 419.573 3.115 20 0 HGADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2cc4c(nn2)CCC4)C3)c1 ZINC001164747947 720929812 /nfs/dbraw/zinc/92/98/12/720929812.db2.gz FAADHLXQEPNGCG-RDGATRHJSA-N 1 0 419.573 3.115 20 0 HGADRO COC(=O)c1ccc2c(c1)ncnc2N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164856571 720931439 /nfs/dbraw/zinc/93/14/39/720931439.db2.gz KKGARJWGPUUQLN-HNNXBMFYSA-N 1 0 408.506 3.034 20 0 HGADRO Cc1cc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc2cc(Cl)ccc12 ZINC001164752288 720959815 /nfs/dbraw/zinc/95/98/15/720959815.db2.gz VQIHXLSNZSQMBP-UHFFFAOYSA-N 1 0 413.909 3.039 20 0 HGADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3ncc(Cn4cccn4)n3CC2)nc1 ZINC001164862013 721033560 /nfs/dbraw/zinc/03/35/60/721033560.db2.gz JXOGISVSEKZXBF-NRFANRHFSA-N 1 0 405.550 3.133 20 0 HGADRO Clc1cc(-c2ccncc2)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164869564 721057010 /nfs/dbraw/zinc/05/70/10/721057010.db2.gz UHWCUCKUBBDTHD-RBUKOAKNSA-N 1 0 422.920 3.067 20 0 HGADRO c1ccc(Oc2ccnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164868812 721066373 /nfs/dbraw/zinc/06/63/73/721066373.db2.gz QRKSRRTVAUPFAW-FPOVZHCZSA-N 1 0 403.486 3.144 20 0 HGADRO Cc1cccc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866577 721072947 /nfs/dbraw/zinc/07/29/47/721072947.db2.gz FRKOQZOTJDTGIV-ZWKOTPCHSA-N 1 0 409.921 3.466 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)nc4Cl)C[C@@H]3C2)cn1 ZINC001164772615 721077527 /nfs/dbraw/zinc/07/75/27/721077527.db2.gz VFWJQXRZNREDML-STQMWFEESA-N 1 0 417.291 3.020 20 0 HGADRO Clc1nc2c(c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n1)CCCCC2 ZINC001164866967 721081386 /nfs/dbraw/zinc/08/13/86/721081386.db2.gz VRXLBUUMFSVPSS-QZTJIDSGSA-N 1 0 413.953 3.274 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(-c5ccc(Cl)cc5)nn4)C[C@H]3C2)cn1 ZINC001164766623 721086841 /nfs/dbraw/zinc/08/68/41/721086841.db2.gz KYSNERGQJCIDDL-RBUKOAKNSA-N 1 0 408.937 3.489 20 0 HGADRO Cc1cc(Cl)nc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164865463 721103165 /nfs/dbraw/zinc/10/31/65/721103165.db2.gz LNCIFLSDHBVEQT-IAGOWNOFSA-N 1 0 408.880 3.463 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)nc5c4CCCCC5)C[C@@H]3C2)cn1 ZINC001164773260 721120902 /nfs/dbraw/zinc/12/09/02/721120902.db2.gz XOASRQFQZMHGJK-IRXDYDNUSA-N 1 0 400.958 3.091 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4c[nH]c5nc(Cl)ccc45)C[C@H]3C2)cn1 ZINC001164771376 721133919 /nfs/dbraw/zinc/13/39/19/721133919.db2.gz SKZCVBFYUDRPFM-HUUCEWRRSA-N 1 0 420.895 3.453 20 0 HGADRO Fc1ccc(Oc2ccnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164871076 721160848 /nfs/dbraw/zinc/16/08/48/721160848.db2.gz DHVWITMWQXVJGS-TZIWHRDSSA-N 1 0 421.476 3.283 20 0 HGADRO Cc1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2ccsc2)n1 ZINC001164875294 721161506 /nfs/dbraw/zinc/16/15/06/721161506.db2.gz KTQCVGRJUYTFEF-UXHICEINSA-N 1 0 407.543 3.388 20 0 HGADRO Fc1ccc2c(Cl)nnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164878980 721168959 /nfs/dbraw/zinc/16/89/59/721168959.db2.gz RDHUHKQGKVBLLR-IAGOWNOFSA-N 1 0 413.884 3.297 20 0 HGADRO CC(C)n1ccc2c1nc(Cl)nc2N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164771441 721185484 /nfs/dbraw/zinc/18/54/84/721185484.db2.gz PVBLRPXTMJMCMD-SJORKVTESA-N 1 0 413.957 3.357 20 0 HGADRO c1cc2c(nc(C3CCC3)nc2N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)[nH]1 ZINC001164866780 721197350 /nfs/dbraw/zinc/19/73/50/721197350.db2.gz CWLAKOYSROGSCH-RTBURBONSA-N 1 0 404.518 3.100 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(SCc5ccccc5)ncn4)C[C@H]3C2)cn1 ZINC001164769130 721223601 /nfs/dbraw/zinc/22/36/01/721223601.db2.gz LTHOJZYGUHIPQB-LEWJYISDSA-N 1 0 420.586 3.461 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4c(F)ccc5c(Cl)ncnc54)C[C@H]3C2)cn1 ZINC001164764883 721243683 /nfs/dbraw/zinc/24/36/83/721243683.db2.gz QIIOSFGVGYSOLM-HUUCEWRRSA-N 1 0 400.889 3.114 20 0 HGADRO Clc1nc2c(ncn2[C@@H]2CCCCO2)c(N2CC3(C2)CC[N@H+](CC2CC2)C3)n1 ZINC001164772038 721287947 /nfs/dbraw/zinc/28/79/47/721287947.db2.gz CVHAOUPIWZRGIZ-HNNXBMFYSA-N 1 0 402.930 3.101 20 0 HGADRO COc1ccc(Cn2cc3[nH]c(N4CC5(C4)CC[N@H+](CC4CC4)C5)ccc-3c2=O)cc1 ZINC001164770543 721296023 /nfs/dbraw/zinc/29/60/23/721296023.db2.gz TWZYDUKCKFGSLV-UHFFFAOYSA-N 1 0 418.541 3.168 20 0 HGADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4sccc43)C2)C1 ZINC001164778390 721332021 /nfs/dbraw/zinc/33/20/21/721332021.db2.gz VAYFDLGIZDDHAA-NRFANRHFSA-N 1 0 413.547 3.415 20 0 HGADRO CCOc1cccc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164777792 721346744 /nfs/dbraw/zinc/34/67/44/721346744.db2.gz HXOGUSXBNSUKNX-QFIPXVFZSA-N 1 0 400.523 3.204 20 0 HGADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(N)cc3Cl)C2)C1 ZINC001164778228 721351863 /nfs/dbraw/zinc/35/18/63/721351863.db2.gz LOGVWIOADSCGSB-FQEVSTJZSA-N 1 0 405.930 3.041 20 0 HGADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nccc4ncsc43)C2)C1 ZINC001164784338 721360683 /nfs/dbraw/zinc/36/06/83/721360683.db2.gz RJARNHRYGBJTHH-OAQYLSRUSA-N 1 0 413.547 3.415 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nccc5c(Cl)ccnc54)C3)O2)CC1 ZINC001164888475 721390738 /nfs/dbraw/zinc/39/07/38/721390738.db2.gz JJHSVDBEJZGZFS-JTSKRJEESA-N 1 0 415.969 3.049 20 0 HGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nnc(Cl)c5ccsc54)C3)O2)CC1 ZINC001164889319 721395212 /nfs/dbraw/zinc/39/52/12/721395212.db2.gz LSAJFJMVHNTTBB-FOIQADDNSA-N 1 0 421.998 3.110 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc5ccccc5nc4Cl)C3)O2)CC1 ZINC001164885690 721402716 /nfs/dbraw/zinc/40/27/16/721402716.db2.gz HAWCRWROMBMIKG-HTAPYJJXSA-N 1 0 415.969 3.049 20 0 HGADRO CSc1cc(Cl)ncc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164885240 721403951 /nfs/dbraw/zinc/40/39/51/721403951.db2.gz GIUCPGWHHDAIRZ-OXQOHEQNSA-N 1 0 411.015 3.222 20 0 HGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncc5cc(Cl)ccc5n4)C3)O2)CC1 ZINC001164887195 721416313 /nfs/dbraw/zinc/41/63/13/721416313.db2.gz LJQWWMRZAJWMEC-DENIHFKCSA-N 1 0 415.969 3.049 20 0 HGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncc5ccc(Cl)cc5n4)C3)O2)CC1 ZINC001164884547 721418843 /nfs/dbraw/zinc/41/88/43/721418843.db2.gz DUUYYIXZKGTTSW-KNQAVFIVSA-N 1 0 415.969 3.049 20 0 HGADRO CSc1cc(Cl)cnc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164898294 721430116 /nfs/dbraw/zinc/43/01/16/721430116.db2.gz VQLKUDZYNWPSNZ-FXAWDEMLSA-N 1 0 411.015 3.222 20 0 HGADRO Cc1nc(C2CC2)nc(Cl)c1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164895372 721438047 /nfs/dbraw/zinc/43/80/47/721438047.db2.gz OCJCIDIORRNUHZ-AVRDEDQJSA-N 1 0 420.001 3.081 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)ncc1F)CC2 ZINC001164784394 721450115 /nfs/dbraw/zinc/45/01/15/721450115.db2.gz FCKRXFDQXRDIIV-MRXNPFEDSA-N 1 0 412.937 3.003 20 0 HGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cnc(Cl)cc1OC)CC2 ZINC001164786008 721455702 /nfs/dbraw/zinc/45/57/02/721455702.db2.gz LXACVJWPHYLLLK-SFHVURJKSA-N 1 0 423.985 3.478 20 0 HGADRO CCOc1ccc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nc1 ZINC001164789338 721457419 /nfs/dbraw/zinc/45/74/19/721457419.db2.gz UUKIHAPGJXKFKO-HXUWFJFHSA-N 1 0 403.567 3.214 20 0 HGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3ncccc3n1)CC2 ZINC001164784650 721458311 /nfs/dbraw/zinc/45/83/11/721458311.db2.gz JGBGVMTZBPEDRK-FQEVSTJZSA-N 1 0 410.562 3.364 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nnc(Cl)cc1F)CC2 ZINC001164784365 721459769 /nfs/dbraw/zinc/45/97/69/721459769.db2.gz HMLYJUGJZWDJEP-MRXNPFEDSA-N 1 0 412.937 3.003 20 0 HGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(N)cc1Cl)CC2 ZINC001164784414 721459939 /nfs/dbraw/zinc/45/99/39/721459939.db2.gz HUUBQGVGGLOHEN-SFHVURJKSA-N 1 0 408.974 3.051 20 0 HGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C3CC3)cn1)CC2 ZINC001164783558 721460233 /nfs/dbraw/zinc/46/02/33/721460233.db2.gz DLOLHNYNFASEDR-NRFANRHFSA-N 1 0 400.567 3.088 20 0 HGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)c(C)nc1Cl)CC2 ZINC001164787714 721460343 /nfs/dbraw/zinc/46/03/43/721460343.db2.gz RVIIKRCGXJVABQ-IBGZPJMESA-N 1 0 423.001 3.481 20 0 HGADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3nccn3C[C@H](Cn3cccn3)C2)nc1 ZINC001164897687 721487652 /nfs/dbraw/zinc/48/76/52/721487652.db2.gz UACBSNVKUHXKBG-FPOVZHCZSA-N 1 0 405.550 3.358 20 0 HGADRO Fc1c[nH]c2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c12 ZINC001164896897 721510294 /nfs/dbraw/zinc/51/02/94/721510294.db2.gz CAXBLMZKZXVFDN-TZMCWYRMSA-N 1 0 405.836 3.231 20 0 HGADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)nc5c4CSC5)CC[N@@H+]3C2)c1 ZINC001164901621 721524144 /nfs/dbraw/zinc/52/41/44/721524144.db2.gz XTMLLXBEJAVHFX-DZGCQCFKSA-N 1 0 406.914 3.358 20 0 HGADRO COC(=O)c1nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1Cl ZINC001164906362 721532225 /nfs/dbraw/zinc/53/22/25/721532225.db2.gz KDDJYQZDBFGJLH-GOEBONIOSA-N 1 0 405.857 3.003 20 0 HGADRO Nc1cc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164907718 721536346 /nfs/dbraw/zinc/53/63/46/721536346.db2.gz OCKVSSSIUJDIAW-ZFWWWQNUSA-N 1 0 412.843 3.343 20 0 HGADRO CCOC(=O)c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1 ZINC001164907161 721536881 /nfs/dbraw/zinc/53/68/81/721536881.db2.gz MJHKSDGYAFPVNA-AEFFLSMTSA-N 1 0 419.884 3.393 20 0 HGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2CCCC3)[C@H]2CCCO[C@H]12 ZINC001164799883 721538280 /nfs/dbraw/zinc/53/82/80/721538280.db2.gz BOXOOSUBTLDUDZ-ZCNNSNEGSA-N 1 0 413.953 3.272 20 0 HGADRO COc1cc2c(cc1F)ncnc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164809864 721566163 /nfs/dbraw/zinc/56/61/63/721566163.db2.gz XPHDLIIFFGOUHV-URVUXULASA-N 1 0 423.492 3.041 20 0 HGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccncc3)cn2)[C@@H]2CCCO[C@H]12 ZINC001164805841 721575232 /nfs/dbraw/zinc/57/52/32/721575232.db2.gz PCXBLCZYNNWHMY-AKFKNWHVSA-N 1 0 401.514 3.407 20 0 HGADRO Cc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(-c2ccncc2)n1 ZINC001164806224 721575668 /nfs/dbraw/zinc/57/56/68/721575668.db2.gz PJLNNGMAOSBEMX-FUDKSRODSA-N 1 0 416.529 3.110 20 0 HGADRO FC1(F)CCN(c2nccc(N3CCCC3)n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164905135 721582664 /nfs/dbraw/zinc/58/26/64/721582664.db2.gz SPHIEJASABZIEE-OAQYLSRUSA-N 1 0 414.504 3.210 20 0 HGADRO COc1ccc2nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c(C)nc2c1 ZINC001164811880 721582873 /nfs/dbraw/zinc/58/28/73/721582873.db2.gz YUUMHQSVQGEFAW-RJGXRXQPSA-N 1 0 419.529 3.210 20 0 HGADRO COCOc1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164908736 721706709 /nfs/dbraw/zinc/70/67/09/721706709.db2.gz YVAZSYSSAVVALW-HXUWFJFHSA-N 1 0 404.461 3.197 20 0 HGADRO CC(C)Oc1nccnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164912279 721731188 /nfs/dbraw/zinc/73/11/88/721731188.db2.gz NPUHIVPTUQYHII-HXUWFJFHSA-N 1 0 403.477 3.397 20 0 HGADRO Cc1ccc2nc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c(Cl)nc2c1 ZINC001165011647 721736632 /nfs/dbraw/zinc/73/66/32/721736632.db2.gz UJAJFDVWFFHOOG-UHFFFAOYSA-N 1 0 401.942 3.115 20 0 HGADRO Cc1cc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C(N)=O ZINC001165024697 721801478 /nfs/dbraw/zinc/80/14/78/721801478.db2.gz MRIGYDCUUOKQAZ-RYQLBKOJSA-N 1 0 413.953 3.274 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(C(=O)NC4CC4)cn3)C[C@H]21 ZINC001165027404 721814476 /nfs/dbraw/zinc/81/44/76/721814476.db2.gz URGGWCZXMYSATC-STZQEDGTSA-N 1 0 405.546 3.106 20 0 HGADRO COc1cc2cc[nH+]c(N3CCC4(CC3)c3ncc(C)n3CCN4C)c2cc1OC ZINC001164917948 721816373 /nfs/dbraw/zinc/81/63/73/721816373.db2.gz RMEMKWNPFZKORN-UHFFFAOYSA-N 1 0 407.518 3.198 20 0 HGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(Cl)nc(OC)n2)CC1 ZINC001165019273 721838242 /nfs/dbraw/zinc/83/82/42/721838242.db2.gz CAJMPZADXCNUKH-UHFFFAOYSA-N 1 0 406.914 3.257 20 0 HGADRO CCOC(=O)c1cccnc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165022164 721838251 /nfs/dbraw/zinc/83/82/51/721838251.db2.gz PVKWIKQSSMNHBP-UHFFFAOYSA-N 1 0 413.518 3.376 20 0 HGADRO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC[NH+](C2CCCC2)CC1 ZINC001165028508 721855300 /nfs/dbraw/zinc/85/53/00/721855300.db2.gz NAFLNICCOAXEAB-UHFFFAOYSA-N 1 0 414.884 3.306 20 0 HGADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ccc(-c2ccc(C3OCCCO3)cc2)cn1 ZINC001164923633 721874468 /nfs/dbraw/zinc/87/44/68/721874468.db2.gz JEVAMZGMYJGOPJ-PKTZIBPZSA-N 1 0 422.573 3.399 20 0 HGADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@@H]4[C@@H]3CC[N@H+]4CCN(C)C)c12 ZINC001164931503 721878877 /nfs/dbraw/zinc/87/88/77/721878877.db2.gz FZQSEFTZNABTRU-YADHBBJMSA-N 1 0 418.589 3.311 20 0 HGADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2[C@H](F)Oc1cccc(-c2ccc(Cl)nn2)c1 ZINC001164935080 721883880 /nfs/dbraw/zinc/88/38/80/721883880.db2.gz VQOUEYJSAKYDIN-ZVDOUQERSA-N 1 0 419.932 3.139 20 0 HGADRO Cc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1 ZINC001164933629 721888338 /nfs/dbraw/zinc/88/83/38/721888338.db2.gz NMCWHDFLNQKVGG-ZWKOTPCHSA-N 1 0 401.942 3.445 20 0 HGADRO COc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001164934414 721889287 /nfs/dbraw/zinc/88/92/87/721889287.db2.gz RLNUGAATSIFHJM-HOTGVXAUSA-N 1 0 417.941 3.146 20 0 HGADRO COC(=O)c1cc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)ncc1C ZINC001164939532 721928168 /nfs/dbraw/zinc/92/81/68/721928168.db2.gz MDDCNWHXORJRDJ-UHFFFAOYSA-N 1 0 409.530 3.356 20 0 HGADRO COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2CCC(C[NH+](C)C)CC2)n1 ZINC001165045696 721947588 /nfs/dbraw/zinc/94/75/88/721947588.db2.gz VXBNRRRLHAIDRM-NTMALXAHSA-N 1 0 402.539 3.030 20 0 HGADRO COC(=O)C[C@H](c1ccnc(N2CC[NH+](CCOc3ccccc3)CC2)c1)C1CC1 ZINC001165045497 721959024 /nfs/dbraw/zinc/95/90/24/721959024.db2.gz VPJVLOMBKNHSEY-QFIPXVFZSA-N 1 0 409.530 3.339 20 0 HGADRO c1ccc(OCC[NH+]2CCN(c3nc(-c4cccnc4)nc4c3CCC4)CC2)cc1 ZINC000489535398 721960789 /nfs/dbraw/zinc/96/07/89/721960789.db2.gz WANNGFLYYMOVRZ-UHFFFAOYSA-N 1 0 401.514 3.228 20 0 HGADRO CCOC(=O)c1ccnc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c1C(=O)OCC ZINC001165051160 721979233 /nfs/dbraw/zinc/97/92/33/721979233.db2.gz ZKWJHYSWQBYBLI-QGZVFWFLSA-N 1 0 403.523 3.280 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[C@H](NC(=O)N(C)C)CCO3)nc1 ZINC001164954101 722010753 /nfs/dbraw/zinc/01/07/53/722010753.db2.gz IFKISUYRFHJCKC-VIZSFHNOSA-N 1 0 415.582 3.028 20 0 HGADRO COC(=O)c1cnc(Cl)cc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164954312 722012715 /nfs/dbraw/zinc/01/27/15/722012715.db2.gz KEHGAXJKXSAWEK-UHFFFAOYSA-N 1 0 400.910 3.409 20 0 HGADRO COC(=O)c1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)ncc1Cl ZINC001164955574 722013112 /nfs/dbraw/zinc/01/31/12/722013112.db2.gz WTELMEABAYDUMY-UHFFFAOYSA-N 1 0 400.910 3.409 20 0 HGADRO CCOC(=O)c1ncnc(Cl)c1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955875 722021279 /nfs/dbraw/zinc/02/12/79/722021279.db2.gz QJKODHPWDDUWDG-UHFFFAOYSA-N 1 0 415.925 3.194 20 0 HGADRO Cc1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1NCC1CC1 ZINC001164959619 722052000 /nfs/dbraw/zinc/05/20/00/722052000.db2.gz NANJBKZHDDCLDT-UHFFFAOYSA-N 1 0 422.577 3.121 20 0 HGADRO COc1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164962183 722055334 /nfs/dbraw/zinc/05/53/34/722055334.db2.gz AVMGVAUWFSOEHI-UHFFFAOYSA-N 1 0 402.926 3.258 20 0 HGADRO Fc1ccc2cnnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2c1 ZINC001164963207 722056593 /nfs/dbraw/zinc/05/65/93/722056593.db2.gz INFRLCACLNUHBD-UHFFFAOYSA-N 1 0 407.493 3.283 20 0 HGADRO COc1ccc2nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)ncc2c1 ZINC001164963854 722056980 /nfs/dbraw/zinc/05/69/80/722056980.db2.gz OIMQJHTUHGFYRM-UHFFFAOYSA-N 1 0 419.529 3.152 20 0 HGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCn3c(Cn4cccn4)nnc3C2)nc1 ZINC001164971819 722089113 /nfs/dbraw/zinc/08/91/13/722089113.db2.gz DOSXWZDTIOZXDW-HXUWFJFHSA-N 1 0 420.565 3.265 20 0 HGADRO CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]21 ZINC001164979124 722098015 /nfs/dbraw/zinc/09/80/15/722098015.db2.gz HDVWHBIWZCWJTF-FUPPJEDESA-N 1 0 405.546 3.223 20 0 HGADRO CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(c3ccc(C[N@H+](C)C4CC4)cn3)C[C@@H]21 ZINC001164985854 722098106 /nfs/dbraw/zinc/09/81/06/722098106.db2.gz XFFVRTQIIRDTCB-QNWVGRARSA-N 1 0 405.546 3.222 20 0 HGADRO Clc1ccnc2c1ccnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975478 722104721 /nfs/dbraw/zinc/10/47/21/722104721.db2.gz BZHNETSATLJWKM-PXNSSMCTSA-N 1 0 409.921 3.406 20 0 HGADRO Cc1nc(Cl)cc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164985711 722105526 /nfs/dbraw/zinc/10/55/26/722105526.db2.gz WGTJXLIJJFZDAL-IRXDYDNUSA-N 1 0 423.895 3.106 20 0 HGADRO Clc1cnc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ccc2c1 ZINC001164975634 722112633 /nfs/dbraw/zinc/11/26/33/722112633.db2.gz KDMRWLVWCUJOCF-ICSRJNTNSA-N 1 0 409.921 3.406 20 0 HGADRO Clc1ccc2cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncc2n1 ZINC001164979166 722122370 /nfs/dbraw/zinc/12/23/70/722122370.db2.gz PJXQEVRHFQIUAQ-QUCCMNQESA-N 1 0 409.921 3.406 20 0 HGADRO COc1ccc2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2c1 ZINC001164975122 722126699 /nfs/dbraw/zinc/12/66/99/722126699.db2.gz JSRICIXEIPKPEU-REWPJTCUSA-N 1 0 404.514 3.366 20 0 HGADRO COc1ccc2cnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cc2c1 ZINC001164980965 722132414 /nfs/dbraw/zinc/13/24/14/722132414.db2.gz OGLNRLBBEMEMMR-OFNKIYASSA-N 1 0 404.514 3.366 20 0 HGADRO CC(C)n1ccc2c1ncnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978883 722136766 /nfs/dbraw/zinc/13/67/66/722136766.db2.gz KHWUULDLYNDEBK-FPOVZHCZSA-N 1 0 406.534 3.135 20 0 HGADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ncnc5sc6c(c54)CCC6)CC[C@@H]3C2)c1 ZINC001164980363 722138848 /nfs/dbraw/zinc/13/88/48/722138848.db2.gz NFSIRPJQQMFSEX-IEBWSBKVSA-N 1 0 421.570 3.302 20 0 HGADRO CCc1nc(Cl)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)n1 ZINC001164972645 722146202 /nfs/dbraw/zinc/14/62/02/722146202.db2.gz AFYNKMXTJQDTRO-HZPDHXFCSA-N 1 0 422.360 3.468 20 0 HGADRO Cc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(-c2ccco2)n1 ZINC001164983864 722147246 /nfs/dbraw/zinc/14/72/46/722147246.db2.gz VWQMEYOWTNZJAR-PZJWPPBQSA-N 1 0 405.502 3.167 20 0 HGADRO c1ccc(Oc2nccnc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164985067 722150297 /nfs/dbraw/zinc/15/02/97/722150297.db2.gz ZBHOIRAUXMTCAV-UNMCSNQZSA-N 1 0 417.513 3.391 20 0 HGADRO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N5CCCC5)cc[nH+]4)CC[C@@H]32)cs1 ZINC001164991680 722184135 /nfs/dbraw/zinc/18/41/35/722184135.db2.gz QJGABRAFOBCZPI-LEWJYISDSA-N 1 0 413.591 3.317 20 0 HGADRO CNC(=O)c1nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ccc1Cl ZINC001164995676 722203594 /nfs/dbraw/zinc/20/35/94/722203594.db2.gz PAQZSTGZGMIMBJ-OAQYLSRUSA-N 1 0 402.901 3.479 20 0 HGADRO CN1CCOc2c(Cl)nnc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c21 ZINC001164996326 722206832 /nfs/dbraw/zinc/20/68/32/722206832.db2.gz UAPRYNPBPBUCQF-OAQYLSRUSA-N 1 0 417.916 3.343 20 0 HGADRO CCc1nc(Cl)nc(Cl)c1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165004496 722257884 /nfs/dbraw/zinc/25/78/84/722257884.db2.gz SSAXTITXWDPVFZ-UHFFFAOYSA-N 1 0 413.353 3.031 20 0 HGADRO C[NH+]1CCN(c2cccc(N3CC[C@H](OCC4CC4)[C@H]3Cc3ccccc3)n2)CC1 ZINC001165006841 722271647 /nfs/dbraw/zinc/27/16/47/722271647.db2.gz RLWUDEIWNACUEY-PKTZIBPZSA-N 1 0 406.574 3.450 20 0 HGADRO Cn1cc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000480478511 1126094920 /nfs/dbraw/zinc/09/49/20/1126094920.db2.gz NWYJZTOPBLNGGI-FQEVSTJZSA-N 1 0 411.477 3.081 20 0 HGADRO OC[C@]1([NH2+]Cc2ncnn2-c2ccccc2)CCc2cc(Br)ccc2C1 ZINC001171949674 1126148691 /nfs/dbraw/zinc/14/86/91/1126148691.db2.gz WNOCAXOEMZIAMF-FQEVSTJZSA-N 1 0 413.319 3.039 20 0 HGADRO OC[C@@]1([NH2+]Cc2cc(C(F)(F)F)n[nH]2)CCc2cc(Br)ccc2C1 ZINC001179146687 1126151345 /nfs/dbraw/zinc/15/13/45/1126151345.db2.gz BKXNKJHQRSISKO-OAHLLOKOSA-N 1 0 404.230 3.201 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cnc(CC(F)(F)F)s2)cc1OC ZINC001179520030 1126152392 /nfs/dbraw/zinc/15/23/92/1126152392.db2.gz HGCFWHKBYXINEV-QGZVFWFLSA-N 1 0 404.454 3.348 20 0 HGADRO CC(C)(C)OC(=O)N1CCc2ccc(C[NH2+][C@@H](CO)Cc3ccc(O)cc3)cc2C1 ZINC001180837955 1126152825 /nfs/dbraw/zinc/15/28/25/1126152825.db2.gz SCHSSVCUMHKECG-OAQYLSRUSA-N 1 0 412.530 3.379 20 0 HGADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC001308034265 1126162194 /nfs/dbraw/zinc/16/21/94/1126162194.db2.gz DDGCGJWRIOIMEE-IBGZPJMESA-N 1 0 408.292 3.270 20 0 HGADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC001308479564 1126166816 /nfs/dbraw/zinc/16/68/16/1126166816.db2.gz LLLSCYRRDDEEKP-FQEVSTJZSA-N 1 0 404.873 3.152 20 0 HGADRO CCOC(=O)c1cc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)[nH]c1C ZINC001308885336 1126168636 /nfs/dbraw/zinc/16/86/36/1126168636.db2.gz AAULEAYIXWKQQG-IBGZPJMESA-N 1 0 409.324 3.346 20 0 HGADRO Nc1nc(Br)ccc1C[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC001460692623 1126191684 /nfs/dbraw/zinc/19/16/84/1126191684.db2.gz JQSJRXNHIKKEOF-JSGCOSHPSA-N 1 0 404.230 3.050 20 0 HGADRO Cc1c(O)ccc2c(C[NH2+][C@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)cc(=O)oc12 ZINC001460697524 1126191897 /nfs/dbraw/zinc/19/18/97/1126191897.db2.gz RXKGCRAYSLBRMQ-OXQOHEQNSA-N 1 0 407.388 3.431 20 0 HGADRO OC[C@@]1([NH2+]Cc2ccc(-c3cc[nH]n3)o2)CCc2cc(Br)ccc2C1 ZINC001474209029 1126202829 /nfs/dbraw/zinc/20/28/29/1126202829.db2.gz ZAGRDZRAWCIWBY-LJQANCHMSA-N 1 0 402.292 3.442 20 0 HGADRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@@](C)(CO)Cc1ccc(Cl)cc1 ZINC001560975669 1126214454 /nfs/dbraw/zinc/21/44/54/1126214454.db2.gz HVLUGXIYUQJYPX-OAQYLSRUSA-N 1 0 407.942 3.188 20 0 HGADRO FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1CC[C@@H]2[NH2+]CCO[C@@H]2C1 ZINC001164389372 718825417 /nfs/dbraw/zinc/82/54/17/718825417.db2.gz HZNDTRQILVSFPR-ZWKOTPCHSA-N 1 0 409.864 3.426 20 0 HGADRO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CCO[C@@H]2C[NH2+]CC[C@H]2C1 ZINC001164407044 718861633 /nfs/dbraw/zinc/86/16/33/718861633.db2.gz VXCFURQLZDYSJV-IINYFYTJSA-N 1 0 403.260 3.296 20 0 HGADRO F[C@]1(N2CC[C@@H]3[NH2+]CC[C@@H]32)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164410990 718874970 /nfs/dbraw/zinc/87/49/70/718874970.db2.gz KVLWKYNTHOASHN-FTRWYGJKSA-N 1 0 422.335 3.358 20 0 HGADRO [NH3+][C@]12C[C@H]1CCN([C@]1(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc31)C2 ZINC001164421738 718895624 /nfs/dbraw/zinc/89/56/24/718895624.db2.gz SBBJRWUHOZBYSG-VOBQZIQPSA-N 1 0 422.335 3.345 20 0 HGADRO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164424675 718919780 /nfs/dbraw/zinc/91/97/80/718919780.db2.gz OAGFMRAEKUMEAM-GOSISDBHSA-N 1 0 413.852 3.125 20 0 HGADRO COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(c1cc(C[NH+](C)C)ccn1)CC2 ZINC001164429428 718954427 /nfs/dbraw/zinc/95/44/27/718954427.db2.gz PHVAQSRZUWOJGA-QFIPXVFZSA-N 1 0 422.573 3.145 20 0 HGADRO CCOC(=O)[C@@]12CCO[C@H]1CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164432025 718974052 /nfs/dbraw/zinc/97/40/52/718974052.db2.gz DUCBTJSQKPIJRF-WIOPSUGQSA-N 1 0 421.541 3.188 20 0 HGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN([C@H](F)Oc1cccc(Cl)n1)C2 ZINC001164616505 719008994 /nfs/dbraw/zinc/00/89/94/719008994.db2.gz KVQMRZBRVHGWGU-WNYOCNMUSA-N 1 0 411.905 3.012 20 0 HGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc(-c2cc(Cl)ncn2)cc1 ZINC001164620380 719013520 /nfs/dbraw/zinc/01/35/20/719013520.db2.gz YQYNTKYYISGUKN-XOKHGSTOSA-N 1 0 422.863 3.072 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4c3CCCC4)CC2)CC1 ZINC001164614328 719023332 /nfs/dbraw/zinc/02/33/32/719023332.db2.gz RJMBJWIXZLUZOO-UHFFFAOYSA-N 1 0 406.958 3.253 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4[nH]c(CC)cc43)CC2)CC1 ZINC001164616973 719030480 /nfs/dbraw/zinc/03/04/80/719030480.db2.gz GNFDGENQTVYHDE-UHFFFAOYSA-N 1 0 419.957 3.418 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(-c4cccc(OC)c4)nn3)CC2)CC1 ZINC001164618643 719032037 /nfs/dbraw/zinc/03/20/37/719032037.db2.gz XBUOJWLQTJBLSA-UHFFFAOYSA-N 1 0 424.545 3.396 20 0 HGADRO CCOC(=O)c1cnc(Cl)nc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164618346 719054302 /nfs/dbraw/zinc/05/43/02/719054302.db2.gz ARROWSZYROQLHK-FUHWJXTLSA-N 1 0 400.910 3.408 20 0 HGADRO CCOC(=O)c1cnc(Cl)nc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164618348 719054454 /nfs/dbraw/zinc/05/44/54/719054454.db2.gz ARROWSZYROQLHK-WMZOPIPTSA-N 1 0 400.910 3.408 20 0 HGADRO NC(=O)c1ccc(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1Cl ZINC001164626577 719055754 /nfs/dbraw/zinc/05/57/54/719055754.db2.gz SFZDTRFCUXHOAL-RDJZCZTQSA-N 1 0 420.891 3.480 20 0 HGADRO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164631687 719093944 /nfs/dbraw/zinc/09/39/44/719093944.db2.gz ZCRFENRSUBQYKN-MAUKXSAKSA-N 1 0 420.891 3.480 20 0 HGADRO Cc1sc2nc(CN3CCCC3)nc(N3C[C@H](C4([NH3+])CC4)[C@H](CF)C3)c2c1C ZINC001164625817 719122300 /nfs/dbraw/zinc/12/23/00/719122300.db2.gz YZYVTIBUGVWPJQ-CVEARBPZSA-N 1 0 403.571 3.417 20 0 HGADRO c1cc(OCC[NH+]2CCCC2)nc(N2CCO[C@@H]3[C@H](OCC4CCCC4)CC[C@@H]32)c1 ZINC001164663662 719343361 /nfs/dbraw/zinc/34/33/61/719343361.db2.gz ZRDSUYANEMKJKA-IMSXRSKXSA-N 1 0 415.578 3.499 20 0 HGADRO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC001164669213 719412423 /nfs/dbraw/zinc/41/24/23/719412423.db2.gz LIODOHVHCRMKBU-MSOLQXFVSA-N 1 0 419.884 3.237 20 0 HGADRO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC001164669214 719412907 /nfs/dbraw/zinc/41/29/07/719412907.db2.gz LIODOHVHCRMKBU-QZTJIDSGSA-N 1 0 419.884 3.237 20 0 HGADRO C[N@@H+]1CCO[C@H]2CN(c3nc(-c4cccnc4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC000301684048 719433448 /nfs/dbraw/zinc/43/34/48/719433448.db2.gz WIDIEGFCNZTWRM-SJORKVTESA-N 1 0 407.543 3.151 20 0 HGADRO CC(C)N(C)Cc1nn(C(F)(F)c2nc(Cl)ncc2Cl)c2c1CC[NH2+]C2 ZINC001164685036 719612878 /nfs/dbraw/zinc/61/28/78/719612878.db2.gz QFYHBEPIHHAHGU-UHFFFAOYSA-N 1 0 405.280 3.063 20 0 HGADRO COc1cccnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164683061 719660160 /nfs/dbraw/zinc/66/01/60/719660160.db2.gz UOPQKFFKHFPPFO-IBGZPJMESA-N 1 0 422.573 3.184 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc3nc(Cl)cnc3cc1Cl)CC2 ZINC001164685021 719716240 /nfs/dbraw/zinc/71/62/40/719716240.db2.gz QAGCMZCAUBWLAR-UHFFFAOYSA-N 1 0 408.333 3.117 20 0 HGADRO C[N@H+](Cc1ccc(N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)nc1)C1CC1 ZINC001164696976 719836922 /nfs/dbraw/zinc/83/69/22/719836922.db2.gz VUVAGOWPRCDKDM-UHFFFAOYSA-N 1 0 406.530 3.078 20 0 HGADRO COCc1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc(SC)n1 ZINC001164695283 719892042 /nfs/dbraw/zinc/89/20/42/719892042.db2.gz LGMSONTVEPXGHC-UHFFFAOYSA-N 1 0 420.604 3.278 20 0 HGADRO c1csc(C[N@@H+]2CCOC3(CCN(c4cc(-c5ccccn5)ncn4)CC3)C2)c1 ZINC001164706272 719899672 /nfs/dbraw/zinc/89/96/72/719899672.db2.gz GPGVHHRIUDNMFB-UHFFFAOYSA-N 1 0 407.543 3.472 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3[nH]cc(Cl)c31)C2 ZINC001164812710 720070096 /nfs/dbraw/zinc/07/00/96/720070096.db2.gz RHNNGVGZWAEJQS-DJJJIMSYSA-N 1 0 410.349 3.449 20 0 HGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H]2CC(=O)N3c2cnn(C)c2)nc1 ZINC001164711309 720076222 /nfs/dbraw/zinc/07/62/22/720076222.db2.gz LJWZBAURNXBAQN-HKBOAZHASA-N 1 0 408.550 3.136 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc3ccc(C(=O)OC)cc31)C2 ZINC001164811072 720103821 /nfs/dbraw/zinc/10/38/21/720103821.db2.gz LEJHWRGKKUDIDM-YKSBVNFPSA-N 1 0 409.530 3.206 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc(OC)nc1Cl)C2 ZINC001164811734 720111876 /nfs/dbraw/zinc/11/18/76/720111876.db2.gz NBJURTGXLJSHMH-DNVCBOLYSA-N 1 0 415.912 3.473 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cc(C)[nH]c31)CC2 ZINC001164719112 720125275 /nfs/dbraw/zinc/12/52/75/720125275.db2.gz WHIJLEZBYKDYSS-IBGZPJMESA-N 1 0 406.534 3.169 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)cc(C(=O)OC)n1)CC2 ZINC001164719608 720126393 /nfs/dbraw/zinc/12/63/93/720126393.db2.gz ZOGHEVMCKVZWGJ-FQEVSTJZSA-N 1 0 424.545 3.079 20 0 HGADRO CCN(CC)c1cncc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164712245 720130081 /nfs/dbraw/zinc/13/00/81/720130081.db2.gz LRNFTGFNVFYQHF-OAQYLSRUSA-N 1 0 424.593 3.225 20 0 HGADRO CCOC(=O)c1c(C)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)nc1C ZINC001164816163 720130431 /nfs/dbraw/zinc/13/04/31/720130431.db2.gz XZPFRTWTTYDDDO-WMZHIEFXSA-N 1 0 401.551 3.060 20 0 HGADRO CCSc1cncc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164710499 720147739 /nfs/dbraw/zinc/14/77/39/720147739.db2.gz BZSIKJKTKVEQGO-LJQANCHMSA-N 1 0 413.591 3.491 20 0 HGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3c(n1)CCCC3)CC2 ZINC001164713885 720151833 /nfs/dbraw/zinc/15/18/33/720151833.db2.gz TXMPYVKADLXDOD-OAQYLSRUSA-N 1 0 407.562 3.258 20 0 HGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C(F)F)cn1)CC2 ZINC001164714390 720152743 /nfs/dbraw/zinc/15/27/43/720152743.db2.gz WSUYHQBHMSWDAJ-GOSISDBHSA-N 1 0 403.477 3.317 20 0 HGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)nc(OC)c1C)CC2 ZINC001164711757 720152885 /nfs/dbraw/zinc/15/28/85/720152885.db2.gz JSJDQAOPNAUBPN-HXUWFJFHSA-N 1 0 411.550 3.005 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc(-c3ccccc3OC)n1)C2 ZINC001164816658 720174259 /nfs/dbraw/zinc/17/42/59/720174259.db2.gz LZMLEUFFLCMMAL-NTKDMRAZSA-N 1 0 408.546 3.337 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc3cc(OC)c(OC)cc3cn1)C2 ZINC001164818873 720178306 /nfs/dbraw/zinc/17/83/06/720178306.db2.gz VEDDOQHULFCSKO-HYBUGGRVSA-N 1 0 411.546 3.437 20 0 HGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cncc(-c3ccc(F)cc3)n1)CCC2 ZINC001164816442 720244190 /nfs/dbraw/zinc/24/41/90/720244190.db2.gz JNURFNOTISVXEO-UHFFFAOYSA-N 1 0 422.508 3.090 20 0 HGADRO Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(C[N@@H+](C)C3CC3)cn2)cs1 ZINC001164816037 720259608 /nfs/dbraw/zinc/25/96/08/720259608.db2.gz FOTVAYGUBNJJJB-UXHICEINSA-N 1 0 411.575 3.211 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(Oc3ccccc3)ncn2)CC1 ZINC001164819227 720303012 /nfs/dbraw/zinc/30/30/12/720303012.db2.gz CYGBFLBLSNNZBF-RTWAWAEBSA-N 1 0 421.545 3.180 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(Cl)nc3ncccc23)CC1 ZINC001164821295 720314448 /nfs/dbraw/zinc/31/44/48/720314448.db2.gz JVBAJBVUVXENOV-ROUUACIJSA-N 1 0 413.953 3.195 20 0 HGADRO COc1ccc2c(C)cc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2c1 ZINC001164828451 720326305 /nfs/dbraw/zinc/32/63/05/720326305.db2.gz JNCHTHOHWLAHDS-PKTZIBPZSA-N 1 0 422.573 3.463 20 0 HGADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730327 720364514 /nfs/dbraw/zinc/36/45/14/720364514.db2.gz WSAJSNJLEXCPET-IAGOWNOFSA-N 1 0 400.910 3.468 20 0 HGADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164731318 720395532 /nfs/dbraw/zinc/39/55/32/720395532.db2.gz ZCBVOBMYAUTLJQ-RBUKOAKNSA-N 1 0 413.953 3.465 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@@H](CC(=O)NC(C)C)[C@H]3C2)nc1 ZINC001164827197 720424372 /nfs/dbraw/zinc/42/43/72/720424372.db2.gz RSKNOZVCWKERNL-GXRSIYKFSA-N 1 0 414.594 3.242 20 0 HGADRO COC(=O)c1ccc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164841122 720507677 /nfs/dbraw/zinc/50/76/77/720507677.db2.gz XOEWGPSJTKEDDM-XYJFISCASA-N 1 0 417.941 3.096 20 0 HGADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2ccc3ncc(Cl)nc3c2)C1 ZINC001164731219 720509147 /nfs/dbraw/zinc/50/91/47/720509147.db2.gz OELWREKGCWMUDC-ZDUSSCGKSA-N 1 0 406.868 3.223 20 0 HGADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2ccc3ncc(Cl)nc3c2)C1 ZINC001164731218 720509395 /nfs/dbraw/zinc/50/93/95/720509395.db2.gz OELWREKGCWMUDC-CYBMUJFWSA-N 1 0 406.868 3.223 20 0 HGADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2ccc3ncnc(Cl)c3c2)C1 ZINC001164728109 720511860 /nfs/dbraw/zinc/51/18/60/720511860.db2.gz IGNYVOABVNKFIH-CYBMUJFWSA-N 1 0 406.868 3.223 20 0 HGADRO COC(=O)c1cc(Cl)cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164833283 720511910 /nfs/dbraw/zinc/51/19/10/720511910.db2.gz CSFDUCMGNNPBAD-HHXXYDBFSA-N 1 0 417.941 3.096 20 0 HGADRO COC(=O)c1c(Cl)ccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164840070 720512771 /nfs/dbraw/zinc/51/27/71/720512771.db2.gz WHBXIDSVFSPAQO-JFIYKMOQSA-N 1 0 417.941 3.096 20 0 HGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nnc(Cl)c4ccncc43)CC[C@@H]21 ZINC001164841571 720516953 /nfs/dbraw/zinc/51/69/53/720516953.db2.gz YZEMEADUTLKVMX-BXWFABGCSA-N 1 0 411.941 3.253 20 0 HGADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncnc3c2ccn3Cc2ccc(F)cc2)C1 ZINC001164726111 720517121 /nfs/dbraw/zinc/51/71/21/720517121.db2.gz ARJIMFJRNNMSKZ-SFHVURJKSA-N 1 0 419.508 3.013 20 0 HGADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001164735174 720523950 /nfs/dbraw/zinc/52/39/50/720523950.db2.gz VQRACJBARCIEJY-RTBURBONSA-N 1 0 419.577 3.403 20 0 HGADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001164735169 720524043 /nfs/dbraw/zinc/52/40/43/720524043.db2.gz VQRACJBARCIEJY-MOPGFXCFSA-N 1 0 419.577 3.403 20 0 HGADRO 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CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(c3ncccc3C[NH+]3CCCC3)C[C@H]21 ZINC001164982831 722098373 /nfs/dbraw/zinc/09/83/73/722098373.db2.gz PGFSUGFPUQYNCQ-YPAWHYETSA-N 1 0 405.546 3.223 20 0 HGADRO Cc1nc(Cl)cc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164985705 722105588 /nfs/dbraw/zinc/10/55/88/722105588.db2.gz WGTJXLIJJFZDAL-IAGOWNOFSA-N 1 0 423.895 3.106 20 0 HGADRO Clc1cccc2c1ncnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981613 722106297 /nfs/dbraw/zinc/10/62/97/722106297.db2.gz LTMDNGATOPXPNO-YLJYHZDGSA-N 1 0 409.921 3.406 20 0 HGADRO Cc1nc2ccc(F)cc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984673 722107818 /nfs/dbraw/zinc/10/78/18/722107818.db2.gz TWXHELHCSBGPOQ-XMSQKQJNSA-N 1 0 407.493 3.200 20 0 HGADRO Cc1nc2ccc(F)cc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984672 722108046 /nfs/dbraw/zinc/10/80/46/722108046.db2.gz TWXHELHCSBGPOQ-PGRDOPGGSA-N 1 0 407.493 3.200 20 0 HGADRO Clc1ncnc2scc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164974091 722110542 /nfs/dbraw/zinc/11/05/42/722110542.db2.gz ILJLCQFZKBKCNA-WBVHZDCISA-N 1 0 415.950 3.467 20 0 HGADRO Clc1ccc2cnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2c1 ZINC001164981015 722125784 /nfs/dbraw/zinc/12/57/84/722125784.db2.gz RXZJGVYTNBTKFP-RXVVDRJESA-N 1 0 409.921 3.406 20 0 HGADRO Clc1ccnc2cnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cc12 ZINC001164978362 722127689 /nfs/dbraw/zinc/12/76/89/722127689.db2.gz OMNLZPWNSWMVHC-DYESRHJHSA-N 1 0 409.921 3.406 20 0 HGADRO c1csc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)c1 ZINC001164982537 722128270 /nfs/dbraw/zinc/12/82/70/722128270.db2.gz WYVWJZFNFRZKMS-UYAOXDASSA-N 1 0 407.543 3.327 20 0 HGADRO CCCN(CCC)c1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncn1 ZINC001164975197 722131623 /nfs/dbraw/zinc/13/16/23/722131623.db2.gz FNBQVZQZRGRNNN-YADHBBJMSA-N 1 0 424.593 3.225 20 0 HGADRO Clc1ccnc2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc12 ZINC001164978087 722135618 /nfs/dbraw/zinc/13/56/18/722135618.db2.gz JQUUOAADWVJPOI-YLJYHZDGSA-N 1 0 409.921 3.406 20 0 HGADRO c1ccc(-c2cnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cn2)cc1 ZINC001164978018 722140608 /nfs/dbraw/zinc/14/06/08/722140608.db2.gz JDTVVWJOZZOWFH-GGAORHGYSA-N 1 0 401.514 3.266 20 0 HGADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4nccc5c6c([nH]c54)CCC6)CC[C@@H]3C2)c1 ZINC001164971195 722153851 /nfs/dbraw/zinc/15/38/51/722153851.db2.gz BCMJXPGGJVTUHP-GCJKJVERSA-N 1 0 403.530 3.174 20 0 HGADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4nccc5c6c([nH]c54)CCC6)CC[C@H]3C2)c1 ZINC001164971192 722153981 /nfs/dbraw/zinc/15/39/81/722153981.db2.gz BCMJXPGGJVTUHP-AVRDEDQJSA-N 1 0 403.530 3.174 20 0 HGADRO C[NH+]1CCN(c2cccc(N3CCC[C@]4(C[C@H](OCC5CCCC5)CO4)C3)n2)CC1 ZINC001164981218 722165400 /nfs/dbraw/zinc/16/54/00/722165400.db2.gz PSBFXACVNRGSIQ-URXFXBBRSA-N 1 0 414.594 3.168 20 0 HGADRO COC(=O)c1nc(Cl)cc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164996549 722210555 /nfs/dbraw/zinc/21/05/55/722210555.db2.gz NVVWLYBSICRXFX-FQEVSTJZSA-N 1 0 404.873 3.301 20 0 HGADRO Cc1cc2c(nc(Cl)nc2N2CCCn3cnc(COCC[NH+](C)C)c3C2)s1 ZINC001165000203 722252106 /nfs/dbraw/zinc/25/21/06/722252106.db2.gz MAQGDRANPVUUSN-UHFFFAOYSA-N 1 0 420.970 3.338 20 0 HGADRO Cc1nc2c3ccccc3oc2c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165001923 722254889 /nfs/dbraw/zinc/25/48/89/722254889.db2.gz JHAZAERFNKNTFW-UHFFFAOYSA-N 1 0 420.517 3.369 20 0 HGADRO Cc1ccc(-c2ccc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nn2)cc1 ZINC001165003467 722256092 /nfs/dbraw/zinc/25/60/92/722256092.db2.gz DQUUXQUTEMBHAN-UHFFFAOYSA-N 1 0 406.534 3.137 20 0 HGADRO Cc1cnc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc1-c1ccccc1F ZINC001165003493 722258008 /nfs/dbraw/zinc/25/80/08/722258008.db2.gz FFYCEQZAZHYAER-UHFFFAOYSA-N 1 0 424.524 3.276 20 0 HGADRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccccc1I ZINC000734845547 1126106813 /nfs/dbraw/zinc/10/68/13/1126106813.db2.gz SGUXAQYVKCAWAI-OAHLLOKOSA-N 1 0 406.267 3.466 20 0 HGADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cnc2c(C)cc(Br)cn12 ZINC001179278772 1126152284 /nfs/dbraw/zinc/15/22/84/1126152284.db2.gz ZVNRFRACIPPCSE-FQEVSTJZSA-N 1 0 418.335 3.497 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc3ccc(F)cc3[nH]c2=O)cc1OC ZINC001179520258 1126152492 /nfs/dbraw/zinc/15/24/92/1126152492.db2.gz IYZXNCNYWBLGFU-JOCHJYFZSA-N 1 0 400.450 3.180 20 0 HGADRO O[C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1c(F)ccc(I)c1F ZINC001179768445 1126152590 /nfs/dbraw/zinc/15/25/90/1126152590.db2.gz PEESWSMPPYCGNG-GDBMZVCRSA-N 1 0 401.194 3.317 20 0 HGADRO Cc1c(-c2cc(C[NH2+][C@](C)(CO)Cc3ccc(Br)cc3)on2)cnn1C ZINC001198217751 1126154523 /nfs/dbraw/zinc/15/45/23/1126154523.db2.gz AQWGYUMEEGONKQ-IBGZPJMESA-N 1 0 419.323 3.229 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cccc(I)c2)cc1 ZINC001308513089 1126167633 /nfs/dbraw/zinc/16/76/33/1126167633.db2.gz NGYZBXNNBGEKGY-SFHVURJKSA-N 1 0 411.283 3.383 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)cc1OC ZINC001461737156 1126196993 /nfs/dbraw/zinc/19/69/93/1126196993.db2.gz UNIQEBFTNSLSCM-HSZRJFAPSA-N 1 0 413.493 3.420 20 0 HGADRO COC(=O)c1ccc(C[NH2+][C@](C)(CO)Cc2ccc(OC)cc2)c(Br)c1 ZINC001462567269 1126198195 /nfs/dbraw/zinc/19/81/95/1126198195.db2.gz SYUWTGLZHKNLPZ-FQEVSTJZSA-N 1 0 422.319 3.328 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nc3sc4c(c3c(N)n2)CCCC4)cc1 ZINC001473839296 1126199558 /nfs/dbraw/zinc/19/95/58/1126199558.db2.gz XCTFJRVLLHAOEG-JOCHJYFZSA-N 1 0 412.559 3.244 20 0 HGADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cccc(I)c1 ZINC001461673981 1126196408 /nfs/dbraw/zinc/19/64/08/1126196408.db2.gz ZHEMADFUEVIJNU-SFHVURJKSA-N 1 0 411.283 3.383 20 0 HGADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC001473840430 1126200898 /nfs/dbraw/zinc/20/08/98/1126200898.db2.gz XOGDECMTCLSQOV-IBGZPJMESA-N 1 0 401.308 3.113 20 0 HGADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC001473840431 1126200951 /nfs/dbraw/zinc/20/09/51/1126200951.db2.gz XOGDECMTCLSQOV-LJQANCHMSA-N 1 0 401.308 3.113 20 0 HGADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC001560183120 1126208752 /nfs/dbraw/zinc/20/87/52/1126208752.db2.gz LTQORCVGZUBWQH-IBGZPJMESA-N 1 0 401.308 3.113 20 0 HGADRO FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1CC[C@H]2[NH2+]CCO[C@H]2C1 ZINC001164389366 718825363 /nfs/dbraw/zinc/82/53/63/718825363.db2.gz HZNDTRQILVSFPR-MSOLQXFVSA-N 1 0 409.864 3.426 20 0 HGADRO Cc1ccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164408325 718865539 /nfs/dbraw/zinc/86/55/39/718865539.db2.gz LNUMWKWMWCIDFE-CRAIPNDOSA-N 1 0 408.880 3.465 20 0 HGADRO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1C[C@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164430422 718947617 /nfs/dbraw/zinc/94/76/17/718947617.db2.gz UUCJQVDUKNOXNC-HZPDHXFCSA-N 1 0 408.836 3.448 20 0 HGADRO c1sc2nc(CN3CCOCC3)nc(N3CCC[C@H]4[NH2+]C[C@@H]43)c2c1-c1ccccc1 ZINC001164449501 718999625 /nfs/dbraw/zinc/99/96/25/718999625.db2.gz OLUMWMSMDJGGKN-MOPGFXCFSA-N 1 0 421.570 3.131 20 0 HGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN([C@H](F)Oc1ccnc(Cl)c1)C2 ZINC001164616656 719008336 /nfs/dbraw/zinc/00/83/36/719008336.db2.gz LFXOORQKEHBKNJ-QSFXBCCZSA-N 1 0 411.905 3.012 20 0 HGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)c(-c2ccco2)c1 ZINC001164615350 719020268 /nfs/dbraw/zinc/02/02/68/719020268.db2.gz ILMNVBLHCXINAS-TUKIKUTGSA-N 1 0 411.836 3.270 20 0 HGADRO CCOC(=O)c1cc(Cl)nc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)c1 ZINC001164617880 719020892 /nfs/dbraw/zinc/02/08/92/719020892.db2.gz QGPWRKMYSUPRNU-UHFFFAOYSA-N 1 0 423.941 3.156 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3cncc(OCc4ccccc4)n3)CC2)CC1 ZINC001164613855 719023269 /nfs/dbraw/zinc/02/32/69/719023269.db2.gz IBFUWMRQCPCEDW-UHFFFAOYSA-N 1 0 424.545 3.300 20 0 HGADRO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@H]3c3ccccc3)C2)n1 ZINC001164618304 719044494 /nfs/dbraw/zinc/04/44/94/719044494.db2.gz ALGMYJUDZWRNBP-KXBFYZLASA-N 1 0 407.896 3.324 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCCO[C@@H]3[C@@H](N3CCCC3=O)C2)nc1 ZINC001164646041 719305755 /nfs/dbraw/zinc/30/57/55/719305755.db2.gz AVLUJUXDMCANRD-XARGGIHNSA-N 1 0 412.578 3.235 20 0 HGADRO CCn1nnc2c1[C@@H](COC)CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164663071 719360658 /nfs/dbraw/zinc/36/06/58/719360658.db2.gz HUMJKXKGFIHIEX-HXUWFJFHSA-N 1 0 418.545 3.002 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(F)ccc1-c1ccc(Cl)nn1)CC2 ZINC001164690206 719747576 /nfs/dbraw/zinc/74/75/76/719747576.db2.gz UYTHUHJLMAIRBX-UHFFFAOYSA-N 1 0 417.916 3.117 20 0 HGADRO COC(=O)c1cnc(Cl)nc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164693251 719803887 /nfs/dbraw/zinc/80/38/87/719803887.db2.gz RBOFFRPWYTZVPC-UHFFFAOYSA-N 1 0 421.954 3.317 20 0 HGADRO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(C(C)C)nc(N(C)C)n2)CC3)cs1 ZINC001164693970 719810247 /nfs/dbraw/zinc/81/02/47/719810247.db2.gz SUAYEOHMXZZGRO-UHFFFAOYSA-N 1 0 415.611 3.461 20 0 HGADRO Cc1cn(-c2ccc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)nn2)cn1 ZINC001164691316 719811255 /nfs/dbraw/zinc/81/12/55/719811255.db2.gz FVLGOMSFWKREMU-UHFFFAOYSA-N 1 0 409.563 3.371 20 0 HGADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164809754 720098379 /nfs/dbraw/zinc/09/83/79/720098379.db2.gz JXZIUWCJWLXVTA-JTSKRJEESA-N 1 0 421.969 3.405 20 0 HGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(C(=O)OC)c1C)CC2 ZINC001164717331 720107517 /nfs/dbraw/zinc/10/75/17/720107517.db2.gz NELAJFMVJVQLKM-HXUWFJFHSA-N 1 0 424.545 3.079 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc(OCc3ccccc3)n1)C2 ZINC001164808611 720113585 /nfs/dbraw/zinc/11/35/85/720113585.db2.gz FWDWISWXQAFTJD-QPPBQGQZSA-N 1 0 408.546 3.240 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1CCCC3)CC2 ZINC001164719446 720114107 /nfs/dbraw/zinc/11/41/07/720114107.db2.gz WXNAMPSMWCLTHY-FQEVSTJZSA-N 1 0 407.562 3.258 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(C(=O)OC(C)(C)C)cn1)C2 ZINC001164810009 720115399 /nfs/dbraw/zinc/11/53/99/720115399.db2.gz JELHBDCQDSUIQE-XXBNENTESA-N 1 0 401.551 3.222 20 0 HGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nnc(Cl)cc1F)CC2 ZINC001164716901 720118976 /nfs/dbraw/zinc/11/89/76/720118976.db2.gz LISLJXODEQGPLT-MRXNPFEDSA-N 1 0 405.905 3.172 20 0 HGADRO CCOC(=O)c1c(C)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)nc1C ZINC001164816164 720130705 /nfs/dbraw/zinc/13/07/05/720130705.db2.gz XZPFRTWTTYDDDO-XXBNENTESA-N 1 0 401.551 3.060 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(Cl)cc1N)CC2 ZINC001164710399 720136460 /nfs/dbraw/zinc/13/64/60/720136460.db2.gz AVIMJDZTBRGMBM-SFHVURJKSA-N 1 0 401.942 3.220 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3nc(C)cnc31)CC2 ZINC001164713045 720150170 /nfs/dbraw/zinc/15/01/70/720150170.db2.gz PMUIFYZWRPXDOK-FQEVSTJZSA-N 1 0 418.545 3.236 20 0 HGADRO CCOC(=O)c1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)ccc1Cl ZINC001164815074 720151172 /nfs/dbraw/zinc/15/11/72/720151172.db2.gz HWCQOWSZGLJGGP-IERDGZPVSA-N 1 0 407.942 3.096 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(OC)cc3)nn1)C2 ZINC001164817193 720163962 /nfs/dbraw/zinc/16/39/62/720163962.db2.gz OTCRJFQTJMZFGJ-HYBUGGRVSA-N 1 0 408.546 3.337 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc(-c3ccccc3OC)n1)C2 ZINC001164816656 720174350 /nfs/dbraw/zinc/17/43/50/720174350.db2.gz LZMLEUFFLCMMAL-DVECYGJZSA-N 1 0 408.546 3.337 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccn3)nc(C)c1C)C2 ZINC001164818680 720184142 /nfs/dbraw/zinc/18/41/42/720184142.db2.gz TZHDHGWBLMUKQO-GBXCKJPGSA-N 1 0 407.562 3.340 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3c(cccc3C(=O)OC)n1)C2 ZINC001164812434 720187569 /nfs/dbraw/zinc/18/75/69/720187569.db2.gz AQKGTLXCATVIJE-KOSHJBKYSA-N 1 0 409.530 3.206 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3sc(C)nc3C)nn1)C2 ZINC001164813046 720189459 /nfs/dbraw/zinc/18/94/59/720189459.db2.gz CCNRFOAIRYVUNZ-GCJKJVERSA-N 1 0 413.591 3.402 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3c(cc(OC)cc3OC)n1)C2 ZINC001164815190 720195398 /nfs/dbraw/zinc/19/53/98/720195398.db2.gz WWCCQCFEMAOHKJ-KOSHJBKYSA-N 1 0 411.546 3.437 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C(N)=S)c3ccsc31)C2 ZINC001164814641 720204351 /nfs/dbraw/zinc/20/43/51/720204351.db2.gz VPALYQLZGVNIOY-BTYIYWSLSA-N 1 0 416.616 3.115 20 0 HGADRO Cc1sc2ncnc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c2c1C ZINC001164813453 720212331 /nfs/dbraw/zinc/21/23/31/720212331.db2.gz PUDIZVGGWRUWGH-UHFFFAOYSA-N 1 0 412.563 3.115 20 0 HGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cnc3c(Cl)cccc3n1)CCC2 ZINC001164812172 720218909 /nfs/dbraw/zinc/21/89/09/720218909.db2.gz GAZMLQSEOFCBFX-UHFFFAOYSA-N 1 0 412.925 3.090 20 0 HGADRO Cc1c[nH]c2nc(Cl)cc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c12 ZINC001164814066 720233972 /nfs/dbraw/zinc/23/39/72/720233972.db2.gz UGQJQVREFRIFGD-UHFFFAOYSA-N 1 0 414.941 3.332 20 0 HGADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3ccnn3C[C@H](C(=O)N3CCCC3)C2)nc1 ZINC001164820319 720268034 /nfs/dbraw/zinc/26/80/34/720268034.db2.gz VSQHYQBOYBPLHV-IRLDBZIGSA-N 1 0 422.577 3.084 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3ccnn3C[C@H](C(=O)N3CCCC3)C2)nc1 ZINC001164820318 720268573 /nfs/dbraw/zinc/26/85/73/720268573.db2.gz VSQHYQBOYBPLHV-IFMALSPDSA-N 1 0 422.577 3.084 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(-c3ccccc3)nn2)CC1 ZINC001164823818 720302101 /nfs/dbraw/zinc/30/21/01/720302101.db2.gz PZTUEJFNVOYIRM-FCHUYYIVSA-N 1 0 405.546 3.055 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cnc3cc(Cl)ccc3n2)CC1 ZINC001164818923 720311264 /nfs/dbraw/zinc/31/12/64/720311264.db2.gz BRWLBWVUQQEMMU-WOJBJXKFSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc3c(Cl)ccnc3cn2)CC1 ZINC001164826212 720325626 /nfs/dbraw/zinc/32/56/26/720325626.db2.gz FTEAITHGMIESOD-UXHICEINSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(C(C)(C)C)nc3[nH]ccc32)CC1 ZINC001164834404 720333362 /nfs/dbraw/zinc/33/33/62/720333362.db2.gz ZYVLJHYGXQFCCO-RTBURBONSA-N 1 0 424.593 3.167 20 0 HGADRO Cc1nc(C2CC2)nc(Cl)c1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164825021 720342157 /nfs/dbraw/zinc/34/21/57/720342157.db2.gz IMVYMXYQYYECIO-QZTJIDSGSA-N 1 0 417.985 3.227 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(-c3cccc(F)c3)nn2)CC1 ZINC001164831584 720344771 /nfs/dbraw/zinc/34/47/71/720344771.db2.gz YUNMUHYYTXGVSZ-FGZHOGPDSA-N 1 0 423.536 3.194 20 0 HGADRO c1ccc2nc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c(N3CCCC3)nc2c1 ZINC001164726271 720429439 /nfs/dbraw/zinc/42/94/39/720429439.db2.gz BFVUUKOUTPOMJL-FGZHOGPDSA-N 1 0 400.530 3.478 20 0 HGADRO COC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(Cl)c1 ZINC001164834740 720507058 /nfs/dbraw/zinc/50/70/58/720507058.db2.gz HKRRJDSDCFYEBB-YQVWRLOYSA-N 1 0 417.941 3.096 20 0 HGADRO COC(=O)c1cnc(Cl)cc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164841228 720508506 /nfs/dbraw/zinc/50/85/06/720508506.db2.gz XYKDAGJROIFUHO-JFIYKMOQSA-N 1 0 417.941 3.096 20 0 HGADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2nc3ccsc3c(Cl)n2)C1 ZINC001164729221 720509726 /nfs/dbraw/zinc/50/97/26/720509726.db2.gz ITQOBCFQGQUIQZ-LLVKDONJSA-N 1 0 412.897 3.284 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3nccc(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840022 720515385 /nfs/dbraw/zinc/51/53/85/720515385.db2.gz VUMIWFLJVKDCFP-HRCADAONSA-N 1 0 410.900 3.249 20 0 HGADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2cccc3c(Cl)ncnc32)C1 ZINC001164734214 720525854 /nfs/dbraw/zinc/52/58/54/720525854.db2.gz NZLOKBBBUPSYCU-ZDUSSCGKSA-N 1 0 406.868 3.223 20 0 HGADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncc(C(=O)OC(C)(C)C)cc2Cl)C1 ZINC001164736450 720532373 /nfs/dbraw/zinc/53/23/73/720532373.db2.gz YJKMIETVCFYCDX-CQSZACIVSA-N 1 0 405.930 3.085 20 0 HGADRO COc1cc2c(cc1F)cc(Cl)nc2N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001164733994 720535845 /nfs/dbraw/zinc/53/58/45/720535845.db2.gz FPKGERIAKKMRHA-ZDUSSCGKSA-N 1 0 403.889 3.430 20 0 HGADRO COC(=O)c1c(C)cc(C)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164833754 720540323 /nfs/dbraw/zinc/54/03/23/720540323.db2.gz BMNKJENTPZWOOL-VAMGGRTRSA-N 1 0 411.550 3.059 20 0 HGADRO FC(F)(c1cc(Cl)nc(Cl)n1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164734183 720550716 /nfs/dbraw/zinc/55/07/16/720550716.db2.gz XQRCBUXPHYUCMP-UHFFFAOYSA-N 1 0 417.291 3.183 20 0 HGADRO COc1cccc2nc(Cl)nc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c21 ZINC001164727223 720567263 /nfs/dbraw/zinc/56/72/63/720567263.db2.gz CGDMHFKGQVMZJL-UHFFFAOYSA-N 1 0 412.925 3.147 20 0 HGADRO COc1cc2c(cc1F)ncnc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164840205 720571032 /nfs/dbraw/zinc/57/10/32/720571032.db2.gz SDPWJIQEJODWKN-LLGFUMIMSA-N 1 0 424.524 3.352 20 0 HGADRO FC(F)(COc1cccc(Cl)n1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164728824 720572481 /nfs/dbraw/zinc/57/24/81/720572481.db2.gz NDJLQHMJQXJDKF-UHFFFAOYSA-N 1 0 411.884 3.057 20 0 HGADRO COC(=O)/C=C\c1cc(C)cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164842212 720581484 /nfs/dbraw/zinc/58/14/84/720581484.db2.gz UMDXKJOVRYTKOS-SZJKLMJPSA-N 1 0 423.561 3.151 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(N)c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837808 720593649 /nfs/dbraw/zinc/59/36/49/720593649.db2.gz JQGJYMVGULTTNH-UWWQBHOKSA-N 1 0 424.927 3.436 20 0 HGADRO Fc1ccc2c(c1)[nH]c1ncnc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c21 ZINC001164742437 720596621 /nfs/dbraw/zinc/59/66/21/720596621.db2.gz NGJSLTOEBJQUMY-UHFFFAOYSA-N 1 0 405.481 3.105 20 0 HGADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc3nc[nH]c31)CC2 ZINC001164839197 720659739 /nfs/dbraw/zinc/65/97/39/720659739.db2.gz JGZUDJVNLSRBQS-MRXNPFEDSA-N 1 0 412.925 3.266 20 0 HGADRO COC(=O)c1ccnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1C ZINC001164837061 720676961 /nfs/dbraw/zinc/67/69/61/720676961.db2.gz AZWDYUGHJBALAM-HXUWFJFHSA-N 1 0 409.530 3.437 20 0 HGADRO CCOC(=O)c1ncnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1C ZINC001164841949 720695654 /nfs/dbraw/zinc/69/56/54/720695654.db2.gz KMJWNFNOOLQHRO-FQEVSTJZSA-N 1 0 424.545 3.222 20 0 HGADRO Clc1cccc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164737953 720696044 /nfs/dbraw/zinc/69/60/44/720696044.db2.gz HWMBHCURWKQZQC-QWHCGFSZSA-N 1 0 417.300 3.069 20 0 HGADRO CCCCOc1cnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(Cl)c1 ZINC001164739013 720744790 /nfs/dbraw/zinc/74/47/90/720744790.db2.gz HMFLRRJXFFTFGV-WBVHZDCISA-N 1 0 403.914 3.046 20 0 HGADRO c1ccc2c(c1)cccc2-c1ccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nn1 ZINC001164742940 720783138 /nfs/dbraw/zinc/78/31/38/720783138.db2.gz PQYOINHLSFGUGW-VQTJNVASSA-N 1 0 424.508 3.429 20 0 HGADRO Clc1cccc2nc(Cl)c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc12 ZINC001164742754 720800552 /nfs/dbraw/zinc/80/05/52/720800552.db2.gz DMYSRNGNJPMXAM-CHWSQXEVSA-N 1 0 417.300 3.069 20 0 HGADRO Clc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164748306 720810992 /nfs/dbraw/zinc/81/09/92/720810992.db2.gz QQGGKTVPXXGHHL-QGPMSJSTSA-N 1 0 407.349 3.359 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CN(Cc4ccncc4)C(=O)[C@H]3C2)nc1 ZINC001164853205 720814084 /nfs/dbraw/zinc/81/40/84/720814084.db2.gz QOOGRTLWHGJLDY-BHIFYINESA-N 1 0 405.546 3.118 20 0 HGADRO Clc1nnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2ccccc12 ZINC001164740758 720815162 /nfs/dbraw/zinc/81/51/62/720815162.db2.gz AIXVYZSOQRPTJW-SQGPQFPESA-N 1 0 423.952 3.254 20 0 HGADRO c1ncn(C[C@H]2C[C@@H]3CN(c4ccnc(-c5ccccc5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164741258 720816387 /nfs/dbraw/zinc/81/63/87/720816387.db2.gz MSIQJITYWLUIRT-YPAWHYETSA-N 1 0 415.545 3.115 20 0 HGADRO Clc1cc2[nH]ccc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164737410 720817498 /nfs/dbraw/zinc/81/74/98/720817498.db2.gz AYGZGFSVJBAAMF-FRQCXROJSA-N 1 0 411.941 3.187 20 0 HGADRO Clc1cc2[nH]ccc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164737413 720817944 /nfs/dbraw/zinc/81/79/44/720817944.db2.gz AYGZGFSVJBAAMF-TXPKVOOTSA-N 1 0 411.941 3.187 20 0 HGADRO Clc1cccc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cnc12 ZINC001164738838 720822722 /nfs/dbraw/zinc/82/27/22/720822722.db2.gz HCOWYEPWMTXXMS-ABSDTBQOSA-N 1 0 423.952 3.254 20 0 HGADRO Clc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncc2c1 ZINC001164741170 720831890 /nfs/dbraw/zinc/83/18/90/720831890.db2.gz DNVHENNWRAJVKT-FBBABVLZSA-N 1 0 423.952 3.254 20 0 HGADRO Clc1cccc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncc12 ZINC001164743585 720832908 /nfs/dbraw/zinc/83/29/08/720832908.db2.gz JJZMOQFAIJGHLF-CSODHUTKSA-N 1 0 423.952 3.254 20 0 HGADRO COc1ccc2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1 ZINC001164742971 720835462 /nfs/dbraw/zinc/83/54/62/720835462.db2.gz HPVADJSDDKSYCS-TXTKFYIRSA-N 1 0 418.545 3.214 20 0 HGADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3ccnc(Cl)c3Cl)CC[C@H]2C1 ZINC001164857875 720837292 /nfs/dbraw/zinc/83/72/92/720837292.db2.gz YVJWFXHGRDUPGC-GXTWGEPZSA-N 1 0 410.292 3.107 20 0 HGADRO 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/nfs/dbraw/zinc/81/98/91/721819891.db2.gz ICNDTQNOARCCCW-YUXAGFNASA-N 1 0 423.561 3.155 20 0 HGADRO COc1cnc2c(c1)ncnc2N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165025923 721820785 /nfs/dbraw/zinc/82/07/85/721820785.db2.gz OESPJYOWAFULLV-SCWSEQNSSA-N 1 0 404.518 3.165 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN([C@H](F)Oc3ccc(Cl)nn3)C[C@H]21 ZINC001165030217 721831955 /nfs/dbraw/zinc/83/19/55/721831955.db2.gz ZASCNMSITKAOJP-OYRIPWCXSA-N 1 0 405.905 3.389 20 0 HGADRO COCc1cc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nc(C)n1 ZINC001165019246 721840164 /nfs/dbraw/zinc/84/01/64/721840164.db2.gz BJSNNFDNGBINML-UHFFFAOYSA-N 1 0 400.523 3.049 20 0 HGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)[C@H](F)Oc2cncc(Cl)n2)CC1 ZINC001165029720 721844746 /nfs/dbraw/zinc/84/47/46/721844746.db2.gz APRSGBBKTZVMBM-FQEVSTJZSA-N 1 0 424.904 3.376 20 0 HGADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(-c2ccccc2)nc(-c2ccccc2)n1 ZINC001164924077 721861467 /nfs/dbraw/zinc/86/14/67/721861467.db2.gz BSHYMQJXEVDRHB-VXKWHMMOSA-N 1 0 414.557 3.420 20 0 HGADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@H]4[C@@H]3CC[N@H+]4CCN(C)C)c12 ZINC001164931502 721879082 /nfs/dbraw/zinc/87/90/82/721879082.db2.gz FZQSEFTZNABTRU-VXKWHMMOSA-N 1 0 418.589 3.311 20 0 HGADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cc(-c2ccco2)nnc1Cl ZINC001164930994 721880977 /nfs/dbraw/zinc/88/09/77/721880977.db2.gz DXWRYYARJCZCBH-HZPDHXFCSA-N 1 0 411.884 3.150 20 0 HGADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccc(-c2ccc(N3CCCCC3)cc2)nn1 ZINC001164935137 721885744 /nfs/dbraw/zinc/88/57/44/721885744.db2.gz WNCABUMVKLEYPC-BJKOFHAPSA-N 1 0 420.605 3.349 20 0 HGADRO Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164934092 721888188 /nfs/dbraw/zinc/88/81/88/721888188.db2.gz PMFMTMDNKIYGFN-IAGOWNOFSA-N 1 0 401.942 3.445 20 0 HGADRO Cc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)cc1 ZINC001164933628 721888194 /nfs/dbraw/zinc/88/81/94/721888194.db2.gz NMCWHDFLNQKVGG-ROUUACIJSA-N 1 0 401.942 3.445 20 0 HGADRO COc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164934416 721889142 /nfs/dbraw/zinc/88/91/42/721889142.db2.gz RLNUGAATSIFHJM-JKSUJKDBSA-N 1 0 417.941 3.146 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCn3cnc(Cn4cccn4)c3C2)nc1 ZINC001164937946 721915932 /nfs/dbraw/zinc/91/59/32/721915932.db2.gz ICHXUGZNVNQHLQ-OAQYLSRUSA-N 1 0 405.550 3.480 20 0 HGADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[NH+](C[C@H]4CCCO4)CC3)c12 ZINC001165038172 721917852 /nfs/dbraw/zinc/91/78/52/721917852.db2.gz KOUZGRNKPCXLBB-OAQYLSRUSA-N 1 0 405.546 3.397 20 0 HGADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(Cl)c(C(N)=O)n4)CC3)C2)cc1 ZINC001164938784 721921698 /nfs/dbraw/zinc/92/16/98/721921698.db2.gz RGHJQAFCPFISTM-UHFFFAOYSA-N 1 0 414.937 3.014 20 0 HGADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(Cl)ncc4C(N)=O)CC3)C2)cc1 ZINC001164938316 721921881 /nfs/dbraw/zinc/92/18/81/721921881.db2.gz LKADPQKYVGDTGO-UHFFFAOYSA-N 1 0 414.937 3.014 20 0 HGADRO C[NH+](C)CC1CCN(C(F)(F)c2nc(Cl)ncc2C(=O)OCC2CC2)CC1 ZINC001165041767 721944781 /nfs/dbraw/zinc/94/47/81/721944781.db2.gz KYBANDOINRDTNW-UHFFFAOYSA-N 1 0 402.873 3.020 20 0 HGADRO COC(=O)c1ccc2ncnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001164954856 722013874 /nfs/dbraw/zinc/01/38/74/722013874.db2.gz PHILQUUZDTWREU-UHFFFAOYSA-N 1 0 417.513 3.304 20 0 HGADRO COC(=O)c1cccc2nc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)ncc21 ZINC001164953662 722015760 /nfs/dbraw/zinc/01/57/60/722015760.db2.gz WTVBZZASIXTBTR-UHFFFAOYSA-N 1 0 417.513 3.304 20 0 HGADRO COC(=O)c1ccc(Cl)c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164952072 722018921 /nfs/dbraw/zinc/01/89/21/722018921.db2.gz GTRIEOSSUUDODD-UHFFFAOYSA-N 1 0 400.910 3.409 20 0 HGADRO CN(C)C(=O)c1cnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c(Cl)c1 ZINC001164955913 722022155 /nfs/dbraw/zinc/02/21/55/722022155.db2.gz SGOKMANLBVYNJL-UHFFFAOYSA-N 1 0 413.953 3.324 20 0 HGADRO c1ccc(-c2cc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)ncn2)nc1 ZINC001164960690 722060262 /nfs/dbraw/zinc/06/02/62/722060262.db2.gz HSERYADIYOAGDH-UHFFFAOYSA-N 1 0 416.529 3.053 20 0 HGADRO COC(=O)c1ccc(-c2ccc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)nc2C)cc1 ZINC001164966978 722074895 /nfs/dbraw/zinc/07/48/95/722074895.db2.gz HZSKUTBVNKYQEA-OYRHEFFESA-N 1 0 407.514 3.143 20 0 HGADRO Fc1ccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)cc1 ZINC001164967508 722075890 /nfs/dbraw/zinc/07/58/90/722075890.db2.gz SNINSPLTONEJTD-CALCHBBNSA-N 1 0 404.873 3.361 20 0 HGADRO CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(c3ncccc3C[NH+]3CCCC3)C[C@@H]21 ZINC001164982828 722098360 /nfs/dbraw/zinc/09/83/60/722098360.db2.gz PGFSUGFPUQYNCQ-BHIFYINESA-N 1 0 405.546 3.223 20 0 HGADRO FC(F)(c1ccc(Cl)nc1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981348 722098711 /nfs/dbraw/zinc/09/87/11/722098711.db2.gz LDPSFBSEVXSMBQ-FUHWJXTLSA-N 1 0 408.880 3.402 20 0 HGADRO Clc1nnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c2ccccc12 ZINC001164984271 722103730 /nfs/dbraw/zinc/10/37/30/722103730.db2.gz RUDFFNDYBAKUKF-PXNSSMCTSA-N 1 0 409.921 3.406 20 0 HGADRO c1ccc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164984307 722105009 /nfs/dbraw/zinc/10/50/09/722105009.db2.gz SHOUNHBZCJQVLP-GGAORHGYSA-N 1 0 401.514 3.266 20 0 HGADRO c1ccc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164984306 722105333 /nfs/dbraw/zinc/10/53/33/722105333.db2.gz SHOUNHBZCJQVLP-FYYLOGMGSA-N 1 0 401.514 3.266 20 0 HGADRO Clc1nc2c(c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n1)CCCC2 ZINC001164977271 722106223 /nfs/dbraw/zinc/10/62/23/722106223.db2.gz FNLXKACDCJSQBV-PXNSSMCTSA-N 1 0 413.953 3.131 20 0 HGADRO Clc1ccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cnc2c1 ZINC001164975656 722110659 /nfs/dbraw/zinc/11/06/59/722110659.db2.gz KEQIMXURVIJJDY-DYESRHJHSA-N 1 0 409.921 3.406 20 0 HGADRO Clc1ccc2ncc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2c1 ZINC001164981084 722112817 /nfs/dbraw/zinc/11/28/17/722112817.db2.gz SKLVFPHLHRQPSB-UTKZUKDTSA-N 1 0 409.921 3.406 20 0 HGADRO CCCN(CCC)c1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncn1 ZINC001164975194 722131764 /nfs/dbraw/zinc/13/17/64/722131764.db2.gz FNBQVZQZRGRNNN-FCHUYYIVSA-N 1 0 424.593 3.225 20 0 HGADRO COc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc2ccccc21 ZINC001164984643 722132059 /nfs/dbraw/zinc/13/20/59/722132059.db2.gz YEWRKXCHLXULCP-AUSIDOKSSA-N 1 0 404.514 3.366 20 0 HGADRO COc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc2ccccc21 ZINC001164984646 722132603 /nfs/dbraw/zinc/13/26/03/722132603.db2.gz YEWRKXCHLXULCP-XXBNENTESA-N 1 0 404.514 3.366 20 0 HGADRO Clc1ccnc2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc12 ZINC001164978081 722135936 /nfs/dbraw/zinc/13/59/36/722135936.db2.gz JQUUOAADWVJPOI-FXAWDEMLSA-N 1 0 409.921 3.406 20 0 HGADRO CCc1nc(Cl)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)n1 ZINC001164972640 722146735 /nfs/dbraw/zinc/14/67/35/722146735.db2.gz AFYNKMXTJQDTRO-CVEARBPZSA-N 1 0 422.360 3.468 20 0 HGADRO CSc1ccc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164972566 722154218 /nfs/dbraw/zinc/15/42/18/722154218.db2.gz IKCCJTLQNCHQCS-XMSQKQJNSA-N 1 0 421.570 3.474 20 0 HGADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cncc(OCC5CCCC5)n4)CC[C@@H]3C2)c1 ZINC001164971076 722154567 /nfs/dbraw/zinc/15/45/67/722154567.db2.gz ALJRQKOBIMEPRI-FGZHOGPDSA-N 1 0 423.561 3.168 20 0 HGADRO CSc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(SC)n1 ZINC001164974788 722156620 /nfs/dbraw/zinc/15/66/20/722156620.db2.gz QLGJLMONQXNIRI-IRXDYDNUSA-N 1 0 417.604 3.043 20 0 HGADRO COc1cc(C)c2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164977126 722159073 /nfs/dbraw/zinc/15/90/73/722159073.db2.gz XGNKTHHMCOIOAQ-SIKLNZKXSA-N 1 0 419.529 3.069 20 0 HGADRO Cc1nc(CN2CCO[C@H]3CCN(c4cc(N5CCCC5)cc[nH+]4)CC[C@H]32)cs1 ZINC001164991682 722184069 /nfs/dbraw/zinc/18/40/69/722184069.db2.gz QJGABRAFOBCZPI-RTWAWAEBSA-N 1 0 413.591 3.317 20 0 HGADRO COC(=O)c1c[nH]c2ncnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c12 ZINC001164997300 722202345 /nfs/dbraw/zinc/20/23/45/722202345.db2.gz YXBOQDUVAXHQPU-QFIPXVFZSA-N 1 0 409.465 3.129 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3C[C@@H](C(=O)NC(C)C)C[C@@H]32)nc1 ZINC001164997852 722216727 /nfs/dbraw/zinc/21/67/27/722216727.db2.gz SMXIPZSKMWHYGF-JSXRDJHFSA-N 1 0 400.567 3.137 20 0 HGADRO C[NH+](C)CCOCc1ncn2c1CN(c1csc3ncnc(Cl)c13)CCC2 ZINC001165000369 722252704 /nfs/dbraw/zinc/25/27/04/722252704.db2.gz PBDQTLVFEZACDM-UHFFFAOYSA-N 1 0 406.943 3.030 20 0 HGADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cnc(Cl)c(F)c1)CCC2 ZINC001165000374 722252834 /nfs/dbraw/zinc/25/28/34/722252834.db2.gz PDJUPJRJOBWSLU-UHFFFAOYSA-N 1 0 417.863 3.104 20 0 HGADRO CSc1nc2ccsc2c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165000606 722252847 /nfs/dbraw/zinc/25/28/47/722252847.db2.gz UDMYATOFTLRIKQ-UHFFFAOYSA-N 1 0 418.592 3.098 20 0 HGADRO Cc1c(Cl)nc(C(C)C)nc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165004063 722257599 /nfs/dbraw/zinc/25/75/99/722257599.db2.gz MHAMKMAHVNRTDA-UHFFFAOYSA-N 1 0 406.962 3.247 20 0 HGADRO COc1cc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)cc(Br)c1O ZINC000531332959 1126096739 /nfs/dbraw/zinc/09/67/39/1126096739.db2.gz PTNJQIUNGNEKFU-CQSZACIVSA-N 1 0 405.292 3.338 20 0 HGADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc(OCCN3CCOCC3)c(Cl)c2)cc1 ZINC000466919132 1126094466 /nfs/dbraw/zinc/09/44/66/1126094466.db2.gz ZGVXXFGMTYWUDQ-NRFANRHFSA-N 1 0 418.965 3.053 20 0 HGADRO Cc1ccc(S(=O)(=O)c2ccc(C[NH2+]C3(CO)Cc4ccccc4C3)cc2)cc1 ZINC000512331985 1126095588 /nfs/dbraw/zinc/09/55/88/1126095588.db2.gz LYBVLORZMVLRFD-UHFFFAOYSA-N 1 0 407.535 3.447 20 0 HGADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cn(-c3ccccc3Br)nn2)cc1 ZINC000572651844 1126097802 /nfs/dbraw/zinc/09/78/02/1126097802.db2.gz VJRDJIOUTISHMP-INIZCTEOSA-N 1 0 401.308 3.031 20 0 HGADRO OCC1([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)Cc2ccccc2C1 ZINC000569719877 1126097837 /nfs/dbraw/zinc/09/78/37/1126097837.db2.gz LWKCVAKCOMIGNA-UHFFFAOYSA-N 1 0 404.304 3.230 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cnc(CC(F)(F)F)s2)cc1OC ZINC001179520029 1126152475 /nfs/dbraw/zinc/15/24/75/1126152475.db2.gz HGCFWHKBYXINEV-KRWDZBQOSA-N 1 0 404.454 3.348 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc3ccc(F)cc3[nH]c2=O)cc1OC ZINC001179520259 1126152518 /nfs/dbraw/zinc/15/25/18/1126152518.db2.gz IYZXNCNYWBLGFU-QFIPXVFZSA-N 1 0 400.450 3.180 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)cc1OC ZINC001183684718 1126153239 /nfs/dbraw/zinc/15/32/39/1126153239.db2.gz HGMUEZGKSIROSP-QHCPKHFHSA-N 1 0 401.503 3.432 20 0 HGADRO OC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(F)cc1I ZINC001202233199 1126157130 /nfs/dbraw/zinc/15/71/30/1126157130.db2.gz ISGURMXYEUBDHL-OAHLLOKOSA-N 1 0 403.210 3.263 20 0 HGADRO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC001308478745 1126166174 /nfs/dbraw/zinc/16/61/74/1126166174.db2.gz APCHJMBBMZMQDY-IBGZPJMESA-N 1 0 419.298 3.252 20 0 HGADRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC001473840006 1126200431 /nfs/dbraw/zinc/20/04/31/1126200431.db2.gz OKILJYOHSWLYCV-GOSISDBHSA-N 1 0 403.878 3.420 20 0 HGADRO COC(=O)Cc1ccccc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC001473641989 1126198310 /nfs/dbraw/zinc/19/83/10/1126198310.db2.gz ZAZNZTFMYJQEII-OAQYLSRUSA-N 1 0 418.331 3.174 20 0 HGADRO O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1ccc(CN2CCOCC2)cc1)C(F)(F)F ZINC001473751358 1126198850 /nfs/dbraw/zinc/19/88/50/1126198850.db2.gz UCBGRZVZHYRQIV-SFTDATJTSA-N 1 0 408.464 3.143 20 0 HGADRO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCC2(CCCC[NH2+]2)CC1 ZINC001164388468 718803105 /nfs/dbraw/zinc/80/31/05/718803105.db2.gz VPYNTZNYEGUTSO-UHFFFAOYSA-N 1 0 414.884 3.354 20 0 HGADRO COc1nnc(Cl)cc1C(F)(F)N1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001164389739 718815703 /nfs/dbraw/zinc/81/57/03/718815703.db2.gz YOJXZKFEJOCZER-LBPRGKRZSA-N 1 0 400.779 3.194 20 0 HGADRO FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)COc1cncc(Cl)n1 ZINC001164413541 718881277 /nfs/dbraw/zinc/88/12/77/718881277.db2.gz JPTIJVGLKRRPFI-SNVBAGLBSA-N 1 0 400.779 3.251 20 0 HGADRO O=C(Nc1cccnc1Cl)OCC(F)(F)N1C[C@@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164427121 718946753 /nfs/dbraw/zinc/94/67/53/718946753.db2.gz ATQCGLIVTQOXHP-ZBFHGGJFSA-N 1 0 408.836 3.448 20 0 HGADRO Cc1nc2c(n1-c1nc(CN3CCCCC3)nc3sc4c(c31)CCC4)CC[NH2+]CC2 ZINC001164429352 718949092 /nfs/dbraw/zinc/94/90/92/718949092.db2.gz OBWSFUSNEZMKKH-UHFFFAOYSA-N 1 0 422.602 3.348 20 0 HGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(Cl)c(Cl)nc1Cl ZINC001164617783 719016913 /nfs/dbraw/zinc/01/69/13/719016913.db2.gz PPAOHVUWGZTLED-GGVZMXCHSA-N 1 0 414.667 3.317 20 0 HGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(Cl)nc2c1CCCCC2 ZINC001164617406 719020945 /nfs/dbraw/zinc/02/09/45/719020945.db2.gz NXKUYUORGZNKKU-OAUYIBNBSA-N 1 0 413.896 3.279 20 0 HGADRO CCOC(=O)c1nnc(Cl)cc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164625807 719073851 /nfs/dbraw/zinc/07/38/51/719073851.db2.gz NHLSFVOGJMWHTC-FUHWJXTLSA-N 1 0 400.910 3.408 20 0 HGADRO O=C1NCc2c1c(N1CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)nc(Cl)c2F ZINC001164628948 719083189 /nfs/dbraw/zinc/08/31/89/719083189.db2.gz VDGQHSCHZLZOMW-ZBFHGGJFSA-N 1 0 400.885 3.218 20 0 HGADRO CCCNC(=O)c1cc(Cl)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164621882 719114601 /nfs/dbraw/zinc/11/46/01/719114601.db2.gz BJZRICKTUAKMRS-IEBWSBKVSA-N 1 0 413.953 3.371 20 0 HGADRO CC(C)N(C)Cc1nn(C(F)(F)c2nc(Cl)cc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164681861 719608578 /nfs/dbraw/zinc/60/85/78/719608578.db2.gz BGLPLNUHOLBCLN-UHFFFAOYSA-N 1 0 405.280 3.063 20 0 HGADRO CC(C)N(C)Cc1nn(C(F)(F)Cc2nc(Cl)cc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164679537 719633628 /nfs/dbraw/zinc/63/36/28/719633628.db2.gz FUWAMYPTGMBCJB-UHFFFAOYSA-N 1 0 419.307 3.258 20 0 HGADRO Cc1cnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(C)n1 ZINC001164680242 719657272 /nfs/dbraw/zinc/65/72/72/719657272.db2.gz DKKFKCTUMZBYHF-FQEVSTJZSA-N 1 0 421.589 3.187 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc3ccc(Cl)cc31)CC2 ZINC001164686616 719698842 /nfs/dbraw/zinc/69/88/42/719698842.db2.gz PAGQXJTZAGAZHS-UHFFFAOYSA-N 1 0 408.333 3.117 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1ccc3cnc(Cl)nc3c1)CC2 ZINC001164686766 719725916 /nfs/dbraw/zinc/72/59/16/719725916.db2.gz ROWLPFJAIUDHCM-UHFFFAOYSA-N 1 0 423.895 3.009 20 0 HGADRO COC[C@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)Cc2cn(C)nc21 ZINC001164696244 719831455 /nfs/dbraw/zinc/83/14/55/719831455.db2.gz QWOKLAQVRFOWJZ-OAQYLSRUSA-N 1 0 403.530 3.124 20 0 HGADRO COC(=O)c1cc(C)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164702259 719886718 /nfs/dbraw/zinc/88/67/18/719886718.db2.gz PTDHXPALMNDMGH-UHFFFAOYSA-N 1 0 401.532 3.110 20 0 HGADRO COC(=O)c1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)ncc1Cl ZINC001164694870 719887706 /nfs/dbraw/zinc/88/77/06/719887706.db2.gz FZUDDUCSGMJQJS-UHFFFAOYSA-N 1 0 421.950 3.455 20 0 HGADRO COC(=O)c1cc(Cl)cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164695325 719888769 /nfs/dbraw/zinc/88/87/69/719888769.db2.gz NTOBPBWBGSOHHW-UHFFFAOYSA-N 1 0 421.950 3.455 20 0 HGADRO COC(=O)c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1C ZINC001164695353 719891274 /nfs/dbraw/zinc/89/12/74/719891274.db2.gz PGLNOBNBDHKGHV-UHFFFAOYSA-N 1 0 401.532 3.110 20 0 HGADRO CC(C)n1cnc2cnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nc21 ZINC001164707524 719898568 /nfs/dbraw/zinc/89/85/68/719898568.db2.gz SPMSWAPJVAYIEJ-UHFFFAOYSA-N 1 0 412.563 3.340 20 0 HGADRO CCOC(=O)c1cnc(Cl)cc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164809741 720068693 /nfs/dbraw/zinc/06/86/93/720068693.db2.gz JTEUMGUEMNZPKX-HRAATJIYSA-N 1 0 407.942 3.096 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1CSCC3)C2 ZINC001164811659 720082729 /nfs/dbraw/zinc/08/27/29/720082729.db2.gz OTHCTKPLMUWYMJ-QRWLVFNGSA-N 1 0 408.999 3.104 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(NC(=O)OC(C)(C)C)ncn1)C2 ZINC001164811273 720086017 /nfs/dbraw/zinc/08/60/17/720086017.db2.gz NSHVRDXIHJHETB-JTSKRJEESA-N 1 0 417.554 3.008 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)Oc1cccnc1Cl)C2 ZINC001164807390 720089765 /nfs/dbraw/zinc/08/97/65/720089765.db2.gz FHPIEFBFZQBZJG-YJBOKZPZSA-N 1 0 401.885 3.344 20 0 HGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc(Cl)n1)CC2 ZINC001164717417 720108043 /nfs/dbraw/zinc/10/80/43/720108043.db2.gz ORSXJAQFWGHATK-OAHLLOKOSA-N 1 0 423.348 3.081 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cnc(F)cc31)CC2 ZINC001164719063 720108132 /nfs/dbraw/zinc/10/81/32/720108132.db2.gz VBVBZIAIGHFWHW-SFHVURJKSA-N 1 0 422.508 3.066 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)OC)c(C)n1)CC2 ZINC001164716181 720113339 /nfs/dbraw/zinc/11/33/39/720113339.db2.gz JIZVIDWQQVFRLS-FQEVSTJZSA-N 1 0 424.545 3.079 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(C(=O)OC(C)(C)C)cn1)C2 ZINC001164810005 720114858 /nfs/dbraw/zinc/11/48/58/720114858.db2.gz JELHBDCQDSUIQE-CVDCTZTESA-N 1 0 401.551 3.222 20 0 HGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(OCC3CC3)ncn1)CC2 ZINC001164716953 720124439 /nfs/dbraw/zinc/12/44/39/720124439.db2.gz MDRNTMCESKHPAO-OAQYLSRUSA-N 1 0 423.561 3.168 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(=O)OC)c(C)cn1)CC2 ZINC001164718564 720125716 /nfs/dbraw/zinc/12/57/16/720125716.db2.gz SJIZLHQCYLBWMU-FQEVSTJZSA-N 1 0 424.545 3.079 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(OCc3ccccc3)cnn1)C2 ZINC001164807292 720131681 /nfs/dbraw/zinc/13/16/81/720131681.db2.gz BTIYFJKTAQQYJJ-URXFXBBRSA-N 1 0 408.546 3.240 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3cc(OC)c(OC)cc3n1)C2 ZINC001164807007 720133104 /nfs/dbraw/zinc/13/31/04/720133104.db2.gz ADDVZXWIMCMOEU-NTKDMRAZSA-N 1 0 411.546 3.437 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc(C)c(C)c(Cl)n1)C2 ZINC001164807983 720137597 /nfs/dbraw/zinc/13/75/97/720137597.db2.gz DHUROJZGNLXOGU-VQIMIIECSA-N 1 0 414.928 3.476 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)COc1cccc(Cl)n1)C2 ZINC001164815859 720137757 /nfs/dbraw/zinc/13/77/57/720137757.db2.gz WLNGXAPZHSPWFK-QFBILLFUSA-N 1 0 415.912 3.387 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccnc1OC1CCC1)CC2 ZINC001164711712 720151283 /nfs/dbraw/zinc/15/12/83/720151283.db2.gz IGZUUXKVMOUEDS-FQEVSTJZSA-N 1 0 423.561 3.310 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(-c3nc(C4CC4)no3)ccn1)C2 ZINC001164817544 720189827 /nfs/dbraw/zinc/18/98/27/720189827.db2.gz PUXZSBWBHZITLM-AUSIDOKSSA-N 1 0 409.534 3.194 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1ncn3-c1ccccc1)C2 ZINC001164819735 720190248 /nfs/dbraw/zinc/19/02/48/720190248.db2.gz XYIWFTNVHZWBST-DVECYGJZSA-N 1 0 418.545 3.000 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)Oc1ccnc(Cl)c1)C2 ZINC001164812755 720196498 /nfs/dbraw/zinc/19/64/98/720196498.db2.gz MBMBCMQRBAEAFR-QAPCUYQASA-N 1 0 401.885 3.344 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3[nH]c4cc(F)ccc4c31)C2 ZINC001164811736 720203856 /nfs/dbraw/zinc/20/38/56/720203856.db2.gz JYIYEHFASGZHJC-QMHKHESXSA-N 1 0 409.509 3.435 20 0 HGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(Cl)nc3ncccc13)CCC2 ZINC001164812184 720219967 /nfs/dbraw/zinc/21/99/67/720219967.db2.gz GGVYGXRQFUAGIY-UHFFFAOYSA-N 1 0 412.925 3.090 20 0 HGADRO COc1ccc2c(C)cc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)nc2c1 ZINC001164814519 720229718 /nfs/dbraw/zinc/22/97/18/720229718.db2.gz WVQOFTSLSPMNRE-UHFFFAOYSA-N 1 0 421.545 3.359 20 0 HGADRO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164817699 720247388 /nfs/dbraw/zinc/24/73/88/720247388.db2.gz TXECCSZZIUOYMT-MRXNPFEDSA-N 1 0 423.565 3.279 20 0 HGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(C)(C)c1ccnc(Cl)c1)CCC2 ZINC001164816759 720247905 /nfs/dbraw/zinc/24/79/05/720247905.db2.gz MGRGQHPBLQDPPG-UHFFFAOYSA-N 1 0 403.958 3.273 20 0 HGADRO CC[C@H](C)c1nc2[nH]ccc2c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164817698 720248466 /nfs/dbraw/zinc/24/84/66/720248466.db2.gz TXECCSZZIUOYMT-INIZCTEOSA-N 1 0 423.565 3.279 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3ccnn3C[C@@H](C(=O)N3CCCC3)C2)nc1 ZINC001164820321 720268003 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COc1ncc(Cl)c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164909798 721733629 /nfs/dbraw/zinc/73/36/29/721733629.db2.gz DSIFAYPXBCWWLI-GOSISDBHSA-N 1 0 409.868 3.271 20 0 HGADRO COc1ccc2c(c1)nc(Cl)cc2N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165010177 721737696 /nfs/dbraw/zinc/73/76/96/721737696.db2.gz FBHOFKXTGOGFNF-UHFFFAOYSA-N 1 0 416.953 3.420 20 0 HGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cccc(-c3cccc(Cl)n3)n2)CC1 ZINC001165011642 721738664 /nfs/dbraw/zinc/73/86/64/721738664.db2.gz UFXLKOOMVQDLSV-UHFFFAOYSA-N 1 0 413.953 3.320 20 0 HGADRO Cc1c(Cl)nc(CC(C)C)nc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165012366 721748955 /nfs/dbraw/zinc/74/89/55/721748955.db2.gz GQBMJLNDBZYKGE-UHFFFAOYSA-N 1 0 407.990 3.160 20 0 HGADRO Cc1cc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C(N)=O ZINC001165024701 721801759 /nfs/dbraw/zinc/80/17/59/721801759.db2.gz MRIGYDCUUOKQAZ-SZMVWBNQSA-N 1 0 413.953 3.274 20 0 HGADRO CCOC(=O)c1cnc(C)nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165025091 721807441 /nfs/dbraw/zinc/80/74/41/721807441.db2.gz NNIAAZKOOBOTMR-WMQCIHAUSA-N 1 0 409.534 3.094 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH]c4cc(=O)[nH]c-4cc3Cl)C[C@H]21 ZINC001165022717 721813905 /nfs/dbraw/zinc/81/39/05/721813905.db2.gz GWBKJKNKYLBXIH-AKCHCHLHSA-N 1 0 411.937 3.362 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc4ncnc(Cl)c4n3)C[C@@H]21 ZINC001165025511 721818343 /nfs/dbraw/zinc/81/83/43/721818343.db2.gz NCKBCHPIQQJJFL-UWWQBHOKSA-N 1 0 409.925 3.205 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C(=O)N4CCCC4)ccn3)C[C@@H]21 ZINC001165026126 721819017 /nfs/dbraw/zinc/81/90/17/721819017.db2.gz PHSGHJNCGZXCHK-ACIOBRDBSA-N 1 0 419.573 3.450 20 0 HGADRO COC(=O)c1cc2c[nH]c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)cc-2n1 ZINC001165025521 721820423 /nfs/dbraw/zinc/82/04/23/721820423.db2.gz NEBBWKQOTVVWCK-BPXKWBHBSA-N 1 0 419.529 3.481 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(C(N)=O)cc4ccccc43)C[C@@H]21 ZINC001165030550 721826266 /nfs/dbraw/zinc/82/62/66/721826266.db2.gz ZSKMLURMGQOBJV-RZFNWQHOSA-N 1 0 415.541 3.466 20 0 HGADRO COc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc2c1ccn2C ZINC001165027005 721830652 /nfs/dbraw/zinc/83/06/52/721830652.db2.gz QSMONAAGPFMQMG-PWIZWCRZSA-N 1 0 406.534 3.109 20 0 HGADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cc(-c2ccco2)nnc1Cl ZINC001164930993 721880950 /nfs/dbraw/zinc/88/09/50/721880950.db2.gz DXWRYYARJCZCBH-HOTGVXAUSA-N 1 0 411.884 3.150 20 0 HGADRO Cn1ccc(CN2CCOCC23CC[NH+](C(C)(C)c2ccnc(Cl)c2)CC3)n1 ZINC001164935973 721910364 /nfs/dbraw/zinc/91/03/64/721910364.db2.gz QSLBNMMDJBAVDI-UHFFFAOYSA-N 1 0 403.958 3.071 20 0 HGADRO COc1cnnc(Cl)c1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939330 721926187 /nfs/dbraw/zinc/92/61/87/721926187.db2.gz IVOUBPGCLBCIMX-UHFFFAOYSA-N 1 0 402.926 3.318 20 0 HGADRO CCNC(=O)c1cccnc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939677 721928435 /nfs/dbraw/zinc/92/84/35/721928435.db2.gz ODBKDMLULYPRNL-UHFFFAOYSA-N 1 0 408.546 3.011 20 0 HGADRO c1ccc(OCC[NH+]2CCN(c3nc(-c4ccncc4)nc4c3CCC4)CC2)cc1 ZINC000301147030 721960509 /nfs/dbraw/zinc/96/05/09/721960509.db2.gz KHSMVICGJVBFMP-UHFFFAOYSA-N 1 0 401.514 3.228 20 0 HGADRO O=C(c1cnc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c(Cl)c1)N1CCOCC1 ZINC001165046578 721976200 /nfs/dbraw/zinc/97/62/00/721976200.db2.gz AIVHUROGCKHYEQ-GOSISDBHSA-N 1 0 406.958 3.052 20 0 HGADRO O=C(c1cnc(N2CCCC[C@H]2CC[NH+]2CCCC2)c(Cl)c1)N1CCOCC1 ZINC001165046579 721976247 /nfs/dbraw/zinc/97/62/47/721976247.db2.gz AIVHUROGCKHYEQ-SFHVURJKSA-N 1 0 406.958 3.052 20 0 HGADRO COC(=O)c1cc(Cl)cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164953656 722014801 /nfs/dbraw/zinc/01/48/01/722014801.db2.gz WPDDCDHJWKCQRR-UHFFFAOYSA-N 1 0 400.910 3.409 20 0 HGADRO COC(=O)c1c[nH]c2nc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)ccc12 ZINC001164953584 722016082 /nfs/dbraw/zinc/01/60/82/722016082.db2.gz VGIHRJOLVUSCOS-UHFFFAOYSA-N 1 0 405.502 3.237 20 0 HGADRO Clc1nc2cccnc2c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164959551 722053994 /nfs/dbraw/zinc/05/39/94/722053994.db2.gz MVHWVNAXJPARCZ-UHFFFAOYSA-N 1 0 424.936 3.192 20 0 HGADRO CC1(C)OC(=O)c2c1ccnc2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963182 722055146 /nfs/dbraw/zinc/05/51/46/722055146.db2.gz HYLOVXIVZRBOEO-UHFFFAOYSA-N 1 0 422.529 3.001 20 0 HGADRO COc1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(Cl)c1 ZINC001164960699 722057560 /nfs/dbraw/zinc/05/75/60/722057560.db2.gz IBGXTCJREITRSR-UHFFFAOYSA-N 1 0 402.926 3.258 20 0 HGADRO CCCSc1cncc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164961754 722060459 /nfs/dbraw/zinc/06/04/59/722060459.db2.gz OYDSULFKLYKATC-UHFFFAOYSA-N 1 0 413.591 3.493 20 0 HGADRO O=C(c1ccccc1)n1ccc2ccc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)nc21 ZINC001164967850 722074750 /nfs/dbraw/zinc/07/47/50/722074750.db2.gz ZTELKOGYWYQMAT-OYRHEFFESA-N 1 0 402.498 3.024 20 0 HGADRO CC(=O)N1[C@H](Cn2cccn2)C[C@H]2C[N@@H+](C(C)(C)c3ccnc(Cl)c3)CC[C@@H]21 ZINC001164970769 722081355 /nfs/dbraw/zinc/08/13/55/722081355.db2.gz RLUQSBMMLFKMLP-WDSOQIARSA-N 1 0 401.942 3.178 20 0 HGADRO Cc1sc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1C ZINC001164984130 722103660 /nfs/dbraw/zinc/10/36/60/722103660.db2.gz RSZQQNAZBIAHGO-OALUTQOASA-N 1 0 409.559 3.430 20 0 HGADRO Clc1ccnc2c1ccnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975481 722104895 /nfs/dbraw/zinc/10/48/95/722104895.db2.gz BZHNETSATLJWKM-YLJYHZDGSA-N 1 0 409.921 3.406 20 0 HGADRO c1ccc(Oc2cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncn2)cc1 ZINC001164979352 722105784 /nfs/dbraw/zinc/10/57/84/722105784.db2.gz ICNDKDLLEBSEER-RBBKRZOGSA-N 1 0 417.513 3.391 20 0 HGADRO FC(F)(Oc1ccc(Cl)nc1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978304 722108605 /nfs/dbraw/zinc/10/86/05/722108605.db2.gz OKKUUVULGLIBMY-FUHWJXTLSA-N 1 0 424.879 3.282 20 0 HGADRO Clc1ncnc2scc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164974086 722110632 /nfs/dbraw/zinc/11/06/32/722110632.db2.gz ILJLCQFZKBKCNA-DOTOQJQBSA-N 1 0 415.950 3.467 20 0 HGADRO Clc1cnc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ccc2c1 ZINC001164975631 722113114 /nfs/dbraw/zinc/11/31/14/722113114.db2.gz KDMRWLVWCUJOCF-AZUAARDMSA-N 1 0 409.921 3.406 20 0 HGADRO CC(C)(C)OC(=O)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164980509 722117289 /nfs/dbraw/zinc/11/72/89/722117289.db2.gz RNENCRWYTDYVPZ-NHCUHLMSSA-N 1 0 424.545 3.159 20 0 HGADRO Clc1ccnc2cnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cc12 ZINC001164978376 722127582 /nfs/dbraw/zinc/12/75/82/722127582.db2.gz OMNLZPWNSWMVHC-UWJYYQICSA-N 1 0 409.921 3.406 20 0 HGADRO Clc1ccnc2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc12 ZINC001164978083 722135450 /nfs/dbraw/zinc/13/54/50/722135450.db2.gz JQUUOAADWVJPOI-PXNSSMCTSA-N 1 0 409.921 3.406 20 0 HGADRO CC(C)(C)c1nc2[nH]ccc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164975201 722135552 /nfs/dbraw/zinc/13/55/52/722135552.db2.gz FQVPZPGWTKNJKV-UYAOXDASSA-N 1 0 420.561 3.378 20 0 HGADRO Fc1ccccc1-c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164977041 722147806 /nfs/dbraw/zinc/14/78/06/722147806.db2.gz IAVBYYPFEVVSOE-WMZHIEFXSA-N 1 0 419.504 3.405 20 0 HGADRO Fc1cccc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)c1 ZINC001164985006 722148035 /nfs/dbraw/zinc/14/80/35/722148035.db2.gz YTHHGKZPGLHLBO-REWPJTCUSA-N 1 0 419.504 3.405 20 0 HGADRO CCc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)nc1C ZINC001164977117 722156732 /nfs/dbraw/zinc/15/67/32/722156732.db2.gz XDOOGRVXRNEYKK-MJGOQNOKSA-N 1 0 401.942 3.123 20 0 HGADRO COc1cc(C)c2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164977125 722159218 /nfs/dbraw/zinc/15/92/18/722159218.db2.gz XGNKTHHMCOIOAQ-KNQAVFIVSA-N 1 0 419.529 3.069 20 0 HGADRO COC(=O)c1nc2cnccc2c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164996695 722202602 /nfs/dbraw/zinc/20/26/02/722202602.db2.gz VNMWPYLZJHNOMO-QHCPKHFHSA-N 1 0 421.476 3.195 20 0 HGADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1ccc(F)c(Cl)n1)CCC2 ZINC001164999813 722251049 /nfs/dbraw/zinc/25/10/49/722251049.db2.gz GKIQEWUJVKETAO-UHFFFAOYSA-N 1 0 417.863 3.104 20 0 HGADRO Cc1ccc2c(c1)nc(Cl)nc2N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165001527 722253824 /nfs/dbraw/zinc/25/38/24/722253824.db2.gz AXJTZMPNKGURFF-UHFFFAOYSA-N 1 0 414.941 3.277 20 0 HGADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3c1ccn3C1CCCC1)CCC2 ZINC001165002596 722254016 /nfs/dbraw/zinc/25/40/16/722254016.db2.gz RESIBLDBFBBSCF-UHFFFAOYSA-N 1 0 423.565 3.231 20 0 HGADRO Cc1cccc(-c2ccc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nn2)c1 ZINC001165004119 722256347 /nfs/dbraw/zinc/25/63/47/722256347.db2.gz NEJLEMNYAITNDA-UHFFFAOYSA-N 1 0 406.534 3.137 20 0 HGADRO COc1cc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)cc(Br)c1O ZINC000531332958 1126096679 /nfs/dbraw/zinc/09/66/79/1126096679.db2.gz PTNJQIUNGNEKFU-AWEZNQCLSA-N 1 0 405.292 3.338 20 0 HGADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc(Br)cc2N2CCOCC2)cc1 ZINC000473996888 1126094773 /nfs/dbraw/zinc/09/47/73/1126094773.db2.gz RIVFUVMAJMVQAJ-FQEVSTJZSA-N 1 0 419.363 3.287 20 0 HGADRO O=c1[nH]ccc2oc(C[NH2+][C@]3(CO)CCc4cc(Br)ccc4C3)cc21 ZINC001179146622 1126151385 /nfs/dbraw/zinc/15/13/85/1126151385.db2.gz AVMIHUBEVJEJFG-LJQANCHMSA-N 1 0 403.276 3.306 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(Cl)cc2-n2cncn2)cc1OC ZINC001198228245 1126155567 /nfs/dbraw/zinc/15/55/67/1126155567.db2.gz CLOVAVAHKMAJKR-NRFANRHFSA-N 1 0 416.909 3.021 20 0 HGADRO COc1cc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)cc2c1OCCO2 ZINC001203281872 1126157753 /nfs/dbraw/zinc/15/77/53/1126157753.db2.gz AXPYFNTZZXZMKC-FQEVSTJZSA-N 1 0 422.319 3.312 20 0 HGADRO COC(=O)c1ccc(Cl)c(C[NH2+][C@@](C)(CO)Cc2ccc(OC)c(OC)c2)c1 ZINC001308118967 1126164089 /nfs/dbraw/zinc/16/40/89/1126164089.db2.gz XCQTYGBPCXXZSB-OAQYLSRUSA-N 1 0 407.894 3.227 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(OC)c(OC)cc2Cl)cc1OC ZINC001461737172 1126196820 /nfs/dbraw/zinc/19/68/20/1126196820.db2.gz URCFLAWTCFTPJP-NRFANRHFSA-N 1 0 409.910 3.458 20 0 HGADRO CCOC(=O)Cn1cc(C[NH2+][C@@H](CO)Cc2ccc(C)cc2)c(-c2ccccc2)n1 ZINC001462095328 1126197315 /nfs/dbraw/zinc/19/73/15/1126197315.db2.gz KPOKTHRKFJRDMW-JOCHJYFZSA-N 1 0 407.514 3.115 20 0 HGADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cccc(I)c1 ZINC001461673979 1126196391 /nfs/dbraw/zinc/19/63/91/1126196391.db2.gz ZHEMADFUEVIJNU-GOSISDBHSA-N 1 0 411.283 3.383 20 0 HGADRO COc1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cc1OC ZINC001474208789 1126202562 /nfs/dbraw/zinc/20/25/62/1126202562.db2.gz QCNPEZIIUAHQHB-HXUWFJFHSA-N 1 0 406.320 3.476 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(O)c(OC)cc2Br)cc1 ZINC001474698034 1126205262 /nfs/dbraw/zinc/20/52/62/1126205262.db2.gz JIFTXAVDZNFFMP-LJQANCHMSA-N 1 0 410.308 3.255 20 0 HGADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2cn3ccccc3n2)s1 ZINC000556234241 370703117 /nfs/dbraw/zinc/70/31/17/370703117.db2.gz OJTMGSUMLSDIOZ-HNNXBMFYSA-N 1 0 406.577 3.320 20 0 HGADRO Cc1nc(C)c(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(-c3ccc(F)cc3)c2)s1 ZINC000328605051 569417834 /nfs/dbraw/zinc/41/78/34/569417834.db2.gz MCAPAQYTKVECMY-YCRPNKLZSA-N 1 0 413.522 3.394 20 0 HGADRO CN(C)c1cc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)nc(Cl)n1 ZINC001164387346 718815908 /nfs/dbraw/zinc/81/59/08/718815908.db2.gz FZFONAVQTBOSOD-LBPRGKRZSA-N 1 0 413.822 3.252 20 0 HGADRO Fc1ccc(-c2cc(C(F)(F)N3CCO[C@H]4C[NH2+]CC[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164407929 718865725 /nfs/dbraw/zinc/86/57/25/718865725.db2.gz LBADOJGBFHUTCF-DYVFJYSZSA-N 1 0 412.843 3.296 20 0 HGADRO CCOC(=O)c1cnc(C(F)(F)N2CCCC[C@H]2C2CC[NH2+]CC2)nc1Cl ZINC001164417278 718891467 /nfs/dbraw/zinc/89/14/67/718891467.db2.gz IWPQMUUUKJEELG-AWEZNQCLSA-N 1 0 402.873 3.210 20 0 HGADRO F[C@]1(N2CCC[C@H]3[NH2+]C[C@H]32)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164447221 718998153 /nfs/dbraw/zinc/99/81/53/718998153.db2.gz BNANGIMMYXTVCK-QINHECLXSA-N 1 0 422.335 3.358 20 0 HGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)c(-c2ccncc2)c1 ZINC001164618698 719019201 /nfs/dbraw/zinc/01/92/01/719019201.db2.gz SHDNWTZTWNLURY-RRQGHBQHSA-N 1 0 422.863 3.072 20 0 HGADRO CCCN(CCC)c1cncc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)n1 ZINC001164617912 719029544 /nfs/dbraw/zinc/02/95/44/719029544.db2.gz RSLZTWPOVQECRX-UHFFFAOYSA-N 1 0 417.598 3.347 20 0 HGADRO FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164622687 719048421 /nfs/dbraw/zinc/04/84/21/719048421.db2.gz LDSJDNJHEFHJLK-SCLBCKFNSA-N 1 0 404.852 3.086 20 0 HGADRO NC(=O)c1ccc(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1Cl ZINC001164626571 719056215 /nfs/dbraw/zinc/05/62/15/719056215.db2.gz SFZDTRFCUXHOAL-DOTOQJQBSA-N 1 0 420.891 3.480 20 0 HGADRO O=C1NCc2c1c(N1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)nc(Cl)c2F ZINC001164628946 719082936 /nfs/dbraw/zinc/08/29/36/719082936.db2.gz VDGQHSCHZLZOMW-GOEBONIOSA-N 1 0 400.885 3.218 20 0 HGADRO COc1ccc2nc(C(F)(F)N3C[C@H](C4([NH3+])CC4)[C@H](CF)C3)nc(Cl)c2c1 ZINC001164620673 719123721 /nfs/dbraw/zinc/12/37/21/719123721.db2.gz JHYMXSKCVRQYTP-MFKMUULPSA-N 1 0 400.832 3.350 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCCO[C@H]3[C@@H](N3CCCC3=O)C2)nc1 ZINC001164646034 719305803 /nfs/dbraw/zinc/30/58/03/719305803.db2.gz AVLUJUXDMCANRD-SEDAZVQISA-N 1 0 412.578 3.235 20 0 HGADRO C[N@@H+]1CCO[C@@H]2CN(c3cc(-c4ccc(Cl)nc4)ccc3C3OCCCO3)C[C@H]21 ZINC001164666475 719421199 /nfs/dbraw/zinc/42/11/99/719421199.db2.gz CVTLCPRRTIXQSD-WOJBJXKFSA-N 1 0 415.921 3.357 20 0 HGADRO Fc1ccc(CN2CCOCC23CCN(c2cc(-n4ccnc4)cc[nH+]2)CC3)cc1 ZINC001164678425 719528284 /nfs/dbraw/zinc/52/82/84/719528284.db2.gz KXBPLDLIJJAYDR-UHFFFAOYSA-N 1 0 407.493 3.278 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C(=O)N3CC=CC3)C3(C2)CCOCC3)nc1 ZINC001164678182 719561385 /nfs/dbraw/zinc/56/13/85/719561385.db2.gz VVKOSLJOMUPVES-FGZHOGPDSA-N 1 0 424.589 3.260 20 0 HGADRO CCc1nc2sc3c(c2c(-n2nc(CN(C)C(C)C)c4c2C[NH2+]CC4)n1)CCC3 ZINC001164679633 719639432 /nfs/dbraw/zinc/63/94/32/719639432.db2.gz JHWYWGRTBPHUBK-UHFFFAOYSA-N 1 0 410.591 3.414 20 0 HGADRO CC(C)N(C)Cc1nn(-c2nc(-c3ccncc3)nc3sccc32)c2c1CC[NH2+]C2 ZINC001164679721 719647063 /nfs/dbraw/zinc/64/70/63/719647063.db2.gz KGBAKSHOGQZITP-UHFFFAOYSA-N 1 0 419.558 3.425 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc3c(Cl)cccc3nc1Cl)CC2 ZINC001164690246 719752006 /nfs/dbraw/zinc/75/20/06/719752006.db2.gz WQWGEKTWOJDUBX-UHFFFAOYSA-N 1 0 408.333 3.117 20 0 HGADRO COC(=O)Cc1cccc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164692443 719807733 /nfs/dbraw/zinc/80/77/33/719807733.db2.gz HFVZOLWCOLEPIJ-UHFFFAOYSA-N 1 0 400.548 3.197 20 0 HGADRO CCOC(=O)c1cnc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)nc1C ZINC001164693816 719807904 /nfs/dbraw/zinc/80/79/04/719807904.db2.gz RLHKOOYCJPZYFX-UHFFFAOYSA-N 1 0 415.563 3.362 20 0 HGADRO COC[C@@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)Cc2cn(C)nc21 ZINC001164696242 719831319 /nfs/dbraw/zinc/83/13/19/719831319.db2.gz QWOKLAQVRFOWJZ-NRFANRHFSA-N 1 0 403.530 3.124 20 0 HGADRO COc1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc(SC)n1 ZINC001164698275 719891950 /nfs/dbraw/zinc/89/19/50/719891950.db2.gz QPEAYKFJGCUKMZ-UHFFFAOYSA-N 1 0 406.577 3.140 20 0 HGADRO O=c1cc2[nH]c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c(Cl)cc-2[nH]1 ZINC001164697040 719892886 /nfs/dbraw/zinc/89/28/86/719892886.db2.gz IYXXJKYOWQGKPC-UHFFFAOYSA-N 1 0 418.950 3.163 20 0 HGADRO CCOc1c(Cl)ncnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164698239 719893398 /nfs/dbraw/zinc/89/33/98/719893398.db2.gz QEGLXHTUFRPGLY-UHFFFAOYSA-N 1 0 408.955 3.462 20 0 HGADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164809756 720097977 /nfs/dbraw/zinc/09/79/77/720097977.db2.gz JXZIUWCJWLXVTA-VGSWGCGISA-N 1 0 421.969 3.405 20 0 HGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1CCCC3)CC2 ZINC001164719447 720113620 /nfs/dbraw/zinc/11/36/20/720113620.db2.gz WXNAMPSMWCLTHY-HXUWFJFHSA-N 1 0 407.562 3.258 20 0 HGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(Cl)nc1C)CC2 ZINC001164715462 720121426 /nfs/dbraw/zinc/12/14/26/720121426.db2.gz FXRZOHCLMGONLT-GOSISDBHSA-N 1 0 401.942 3.341 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3sc(C)nc31)C2 ZINC001164813131 720124386 /nfs/dbraw/zinc/12/43/86/720124386.db2.gz PPJBPLAGXSPWEI-LIRRHRJNSA-N 1 0 407.971 3.233 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(OCc3ccccc3)cnn1)C2 ZINC001164807296 720132422 /nfs/dbraw/zinc/13/24/22/720132422.db2.gz BTIYFJKTAQQYJJ-ZJSXRUAMSA-N 1 0 408.546 3.240 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(C)c(C)c(Cl)n1)C2 ZINC001164807977 720136933 /nfs/dbraw/zinc/13/69/33/720136933.db2.gz DHUROJZGNLXOGU-LPHOPBHVSA-N 1 0 414.928 3.476 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nc(=S)[nH]1)C2 ZINC001164818134 720151854 /nfs/dbraw/zinc/15/18/54/720151854.db2.gz RVGKBGYROHHJPD-GUYCJALGSA-N 1 0 418.941 3.148 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc3ccc(C(=O)OC)cc3cn1)C2 ZINC001164814395 720157920 /nfs/dbraw/zinc/15/79/20/720157920.db2.gz GBUDRJJXJCXYIR-XUZZJYLKSA-N 1 0 409.530 3.206 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3sc(C)nc3C)nn1)C2 ZINC001164813048 720188908 /nfs/dbraw/zinc/18/89/08/720188908.db2.gz CCNRFOAIRYVUNZ-XMSQKQJNSA-N 1 0 413.591 3.402 20 0 HGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccc(Cl)nc1)CCC2 ZINC001164811395 720207803 /nfs/dbraw/zinc/20/78/03/720207803.db2.gz HALSVUXCNRTKMN-UHFFFAOYSA-N 1 0 411.884 3.087 20 0 HGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nccc(Oc3ccccc3)n1)CCC2 ZINC001164812100 720215675 /nfs/dbraw/zinc/21/56/75/720215675.db2.gz DMGZUFGBFGWAIC-UHFFFAOYSA-N 1 0 420.517 3.076 20 0 HGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1csc3ncnc(Cl)c13)CCC2 ZINC001164814717 720218338 /nfs/dbraw/zinc/21/83/38/720218338.db2.gz WLJNNUZKBGSKPY-UHFFFAOYSA-N 1 0 418.954 3.152 20 0 HGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cnc3ccc(Cl)cc3n1)CCC2 ZINC001164813521 720220531 /nfs/dbraw/zinc/22/05/31/720220531.db2.gz NMEIEGIZDZEFJX-UHFFFAOYSA-N 1 0 412.925 3.090 20 0 HGADRO COc1ccc2nc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)cc(C)c2c1 ZINC001164812765 720224085 /nfs/dbraw/zinc/22/40/85/720224085.db2.gz IVLWDIVCSFHXJS-UHFFFAOYSA-N 1 0 421.545 3.359 20 0 HGADRO CSc1nc2ccccc2c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164811965 720225770 /nfs/dbraw/zinc/22/57/70/720225770.db2.gz BMEDYHNKBDSEQF-UHFFFAOYSA-N 1 0 424.574 3.159 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccc(Cl)nc2)CC1 ZINC001164820504 720284989 /nfs/dbraw/zinc/28/49/89/720284989.db2.gz VUJYPFTVYRKHSV-IRXDYDNUSA-N 1 0 412.912 3.191 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(Oc3ccccc3)ncn2)CC1 ZINC001164819226 720302839 /nfs/dbraw/zinc/30/28/39/720302839.db2.gz CYGBFLBLSNNZBF-NHCUHLMSSA-N 1 0 421.545 3.180 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(Oc3ccccc3)ncn2)CC1 ZINC001164819224 720302877 /nfs/dbraw/zinc/30/28/77/720302877.db2.gz CYGBFLBLSNNZBF-LEWJYISDSA-N 1 0 421.545 3.180 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nccc3cc(Cl)ncc32)CC1 ZINC001164821431 720309208 /nfs/dbraw/zinc/30/92/08/720309208.db2.gz KOWYYVFSEHCBFB-RTBURBONSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc3ccccc3nc2Cl)CC1 ZINC001164821348 720310752 /nfs/dbraw/zinc/31/07/52/720310752.db2.gz KBHGCYWYWMYLDG-RBUKOAKNSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2csc3ncnc(Cl)c23)CC1 ZINC001164823779 720311101 /nfs/dbraw/zinc/31/11/01/720311101.db2.gz PQXDJSNCNZLEKH-HUUCEWRRSA-N 1 0 419.982 3.256 20 0 HGADRO CSc1cc(Cl)ncc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821661 720311924 /nfs/dbraw/zinc/31/19/24/720311924.db2.gz LVTUENFEXOKCEW-CVEARBPZSA-N 1 0 408.999 3.368 20 0 HGADRO CCc1c(Cl)nnc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1CC ZINC001164832534 720320596 /nfs/dbraw/zinc/32/05/96/720320596.db2.gz UHXWFNLIEKDKMN-RTBURBONSA-N 1 0 420.001 3.166 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncc3c(Cl)cccc3n2)CC1 ZINC001164832987 720322571 /nfs/dbraw/zinc/32/25/71/720322571.db2.gz VERMHNTYIOJYAW-WOJBJXKFSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(-c3ccncc3)cn2)CC1 ZINC001164827311 720336093 /nfs/dbraw/zinc/33/60/93/720336093.db2.gz HSSWSIHVJHAUKO-VXKWHMMOSA-N 1 0 405.546 3.055 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(-c3ccncc3)cn2)CC1 ZINC001164827309 720336348 /nfs/dbraw/zinc/33/63/48/720336348.db2.gz HSSWSIHVJHAUKO-FCHUYYIVSA-N 1 0 405.546 3.055 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cnc(-c3ccccc3)cn2)CC1 ZINC001164825236 720338420 /nfs/dbraw/zinc/33/84/20/720338420.db2.gz JBYDGFIEVYNKAZ-FCHUYYIVSA-N 1 0 405.546 3.055 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cnc(-c3ccccc3)cn2)CC1 ZINC001164825237 720338593 /nfs/dbraw/zinc/33/85/93/720338593.db2.gz JBYDGFIEVYNKAZ-FGZHOGPDSA-N 1 0 405.546 3.055 20 0 HGADRO COc1cccc2c1ccnc2N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164831609 720343668 /nfs/dbraw/zinc/34/36/68/720343668.db2.gz YYVCSOKMHPNNTA-LEWJYISDSA-N 1 0 408.546 3.155 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(-c3cccc(F)c3)nn2)CC1 ZINC001164831583 720344813 /nfs/dbraw/zinc/34/48/13/720344813.db2.gz YUNMUHYYTXGVSZ-FCHUYYIVSA-N 1 0 423.536 3.194 20 0 HGADRO Cc1csc2nc(C)nc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164821701 720345639 /nfs/dbraw/zinc/34/56/39/720345639.db2.gz BKPKOLKXXBYYME-ROUUACIJSA-N 1 0 413.591 3.220 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(-c3ccsc3)nn2)CC1 ZINC001164829697 720349541 /nfs/dbraw/zinc/34/95/41/720349541.db2.gz UBIKPRDZQVUSCD-PMACEKPBSA-N 1 0 411.575 3.117 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(COC3CCC3)cn2)CC1 ZINC001164827852 720349710 /nfs/dbraw/zinc/34/97/10/720349710.db2.gz MXRAFDSTTBGGKC-FCHUYYIVSA-N 1 0 412.578 3.062 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cncc(-c3ccc(F)cc3)n2)CC1 ZINC001164827990 720351408 /nfs/dbraw/zinc/35/14/08/720351408.db2.gz NQIOJHATVZPWRX-YADHBBJMSA-N 1 0 423.536 3.194 20 0 HGADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725097 720396187 /nfs/dbraw/zinc/39/61/87/720396187.db2.gz LUOQWKBVQOCSIB-ZWKOTPCHSA-N 1 0 400.910 3.468 20 0 HGADRO CCOC(=O)c1cc2ncnc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2s1 ZINC001164734248 720411713 /nfs/dbraw/zinc/41/17/13/720411713.db2.gz RHIZQKCUCXNJIA-DLBZAZTESA-N 1 0 409.515 3.116 20 0 HGADRO c1ccc2nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c(N3CCCC3)nc2c1 ZINC001164726276 720429864 /nfs/dbraw/zinc/42/98/64/720429864.db2.gz BFVUUKOUTPOMJL-YADHBBJMSA-N 1 0 400.530 3.478 20 0 HGADRO CC1CCN(C(=O)c2ccc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc2)CC1 ZINC001164734519 720436342 /nfs/dbraw/zinc/43/63/42/720436342.db2.gz SYKTXNDIVCFIFE-FCHUYYIVSA-N 1 0 405.546 3.202 20 0 HGADRO C[C@@H]1CCCN(C(=O)c2ccc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc2)C1 ZINC001164731482 720436922 /nfs/dbraw/zinc/43/69/22/720436922.db2.gz KWNMNGMOPYWHMW-STZQEDGTSA-N 1 0 405.546 3.202 20 0 HGADRO 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C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ccc3ccn(C(=O)c4ccccc4)c3n2)C1 ZINC001164734552 720522259 /nfs/dbraw/zinc/52/22/59/720522259.db2.gz QEQIUUALDAYEIY-SFHVURJKSA-N 1 0 414.513 3.119 20 0 HGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4c3ccn4C)CC[C@@H]21 ZINC001164841127 720528019 /nfs/dbraw/zinc/52/80/19/720528019.db2.gz XORXQDDDOSMBTE-BQFCYCMXSA-N 1 0 413.957 3.196 20 0 HGADRO COc1nc(Cl)ncc1C(F)(F)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001164735620 720545232 /nfs/dbraw/zinc/54/52/32/720545232.db2.gz QQARVZFEACANMY-LBPRGKRZSA-N 1 0 404.889 3.200 20 0 HGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(C(=O)NC(C)(C)C)cn3)CC[C@@H]21 ZINC001164837342 720546892 /nfs/dbraw/zinc/54/68/92/720546892.db2.gz LTYCYQDXIJXVDH-ACRUOGEOSA-N 1 0 424.593 3.184 20 0 HGADRO COc1cccc2cnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc21 ZINC001164833646 720550696 /nfs/dbraw/zinc/55/06/96/720550696.db2.gz BBPCGFDVXOCHKL-XUVXKRRUSA-N 1 0 406.534 3.213 20 0 HGADRO 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WHZKNCXGCSIYNG-UHFFFAOYSA-N 1 0 420.561 3.056 20 0 HGADRO Fc1c(Cl)nccc1C(F)(F)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866266 721050911 /nfs/dbraw/zinc/05/09/11/721050911.db2.gz DJPKINRHZFXSOA-GJZGRUSLSA-N 1 0 412.843 3.294 20 0 HGADRO Clc1cc(-c2ccncc2)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nn1 ZINC001164869565 721057678 /nfs/dbraw/zinc/05/76/78/721057678.db2.gz UHWCUCKUBBDTHD-RTBURBONSA-N 1 0 422.920 3.067 20 0 HGADRO c1ccc(Oc2cc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)ncn2)cc1 ZINC001164868034 721060787 /nfs/dbraw/zinc/06/07/87/721060787.db2.gz MHLZAHIMDDBYOI-PZJWPPBQSA-N 1 0 403.486 3.144 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cc(Cl)nc(Cl)n4)C[C@@H]3C2)cn1 ZINC001164773725 721078835 /nfs/dbraw/zinc/07/88/35/721078835.db2.gz YDXFAAFOAZAINO-OLZOCXBDSA-N 1 0 417.291 3.020 20 0 HGADRO Fc1ccc(-c2ccnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164864379 721081409 /nfs/dbraw/zinc/08/14/09/721081409.db2.gz FRKQEFAOIWQTQP-LEWJYISDSA-N 1 0 405.477 3.157 20 0 HGADRO Cc1nc2cc(Cl)ccc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867192 721091753 /nfs/dbraw/zinc/09/17/53/721091753.db2.gz WUGVUBJXWBGGFI-OALUTQOASA-N 1 0 409.921 3.466 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(-c5ccnc(Cl)c5)ccn4)C[C@H]3C2)cn1 ZINC001164770462 721096654 /nfs/dbraw/zinc/09/66/54/721096654.db2.gz QMALDHGQJDWABB-VQTJNVASSA-N 1 0 408.937 3.489 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4c[nH]c5nc(Cl)ccc45)C[C@H]3C2)cn1 ZINC001164771377 721134755 /nfs/dbraw/zinc/13/47/55/721134755.db2.gz SKZCVBFYUDRPFM-LSDHHAIUSA-N 1 0 420.895 3.453 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5c4ccn5C4CCCC4)C[C@H]3C2)cn1 ZINC001164771344 721142822 /nfs/dbraw/zinc/14/28/22/721142822.db2.gz SGJFEEGYZVNDSB-RBUKOAKNSA-N 1 0 405.550 3.238 20 0 HGADRO Fc1cccc(-c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)c1 ZINC001164880686 721163331 /nfs/dbraw/zinc/16/33/31/721163331.db2.gz XCPPNVZLFFQOBP-LEWJYISDSA-N 1 0 405.477 3.157 20 0 HGADRO CC(C)c1noc(-c2ccnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2)n1 ZINC001164871084 721167551 /nfs/dbraw/zinc/16/75/51/721167551.db2.gz DINJZMUNUCNYPM-WOJBJXKFSA-N 1 0 420.517 3.130 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cncc(Oc5cccc(F)c5)n4)C[C@H]3C2)cn1 ZINC001164768293 721170598 /nfs/dbraw/zinc/17/05/98/721170598.db2.gz KTYMVLFZTLIHOQ-QZTJIDSGSA-N 1 0 408.481 3.100 20 0 HGADRO Cc1cc(-c2ccccc2F)nnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164876481 721179848 /nfs/dbraw/zinc/17/98/48/721179848.db2.gz MRWODYFUMIPJRW-VQTJNVASSA-N 1 0 419.504 3.466 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cc(C5CC5)nnc4Cl)C[C@@H]3C2)cn1 ZINC001164762003 721205694 /nfs/dbraw/zinc/20/56/94/721205694.db2.gz BQWVQWOHWRAKAZ-HOTGVXAUSA-N 1 0 422.911 3.244 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nccc(SCc5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164767205 721228748 /nfs/dbraw/zinc/22/87/48/721228748.db2.gz WFNDHPQQKNPDJH-NHCUHLMSSA-N 1 0 420.586 3.461 20 0 HGADRO c1cncc(OC[C@@H]2CC[C@@H]3[C@@H](CCN3c3cccc(OCC[NH+]4CCCC4)n3)O2)c1 ZINC001164879276 721250098 /nfs/dbraw/zinc/25/00/98/721250098.db2.gz XQWXEPPRYVCSMY-BHDDXSALSA-N 1 0 424.545 3.157 20 0 HGADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@@H]2COC[C@@H](C(=O)NCc3ccco3)[C@@H]2C1 ZINC001164760186 721258636 /nfs/dbraw/zinc/25/86/36/721258636.db2.gz CWRQMPUWSFSMJF-ZTFGCOKTSA-N 1 0 403.910 3.074 20 0 HGADRO Cc1ccc2c(C)cc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)nc2c1C ZINC001164875978 721286223 /nfs/dbraw/zinc/28/62/23/721286223.db2.gz IJLQQYYEDLUTIK-UHFFFAOYSA-N 1 0 424.589 3.167 20 0 HGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3OCCN(c4ccc(C)nn4)[C@@H]3C2)nc1 ZINC001164777553 721313763 /nfs/dbraw/zinc/31/37/63/721313763.db2.gz SRGWVCGODSYLFG-YPAWHYETSA-N 1 0 422.577 3.211 20 0 HGADRO C[N@H+](Cc1ccc(N2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)nc1)C1CC1 ZINC001164777677 721327054 /nfs/dbraw/zinc/32/70/54/721327054.db2.gz PFARZDMMKZGHBA-IBGZPJMESA-N 1 0 412.509 3.417 20 0 HGADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(N)cc(Cl)n3)C2)C1 ZINC001164780055 721345549 /nfs/dbraw/zinc/34/55/49/721345549.db2.gz ZFVSXYCNPKRPIQ-FQEVSTJZSA-N 1 0 405.930 3.041 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3OCC[C@@]3(C(=O)NCC3CC3)C2)nc1 ZINC001164882877 721345798 /nfs/dbraw/zinc/34/57/98/721345798.db2.gz IGZNSKPHKUSBLF-PQNGQFLHSA-N 1 0 412.578 3.140 20 0 HGADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc4scnc43)C2)C1 ZINC001164779739 721352169 /nfs/dbraw/zinc/35/21/69/721352169.db2.gz VGKQSEROSQSACT-NRFANRHFSA-N 1 0 413.547 3.415 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cccc(Cl)n4)C3)O2)CC1 ZINC001164894575 721381813 /nfs/dbraw/zinc/38/18/13/721381813.db2.gz ZDFRDEBACHWHNJ-LPHOPBHVSA-N 1 0 414.928 3.045 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cnc5cccc(Cl)c5n4)C3)O2)CC1 ZINC001164893558 721394578 /nfs/dbraw/zinc/39/45/78/721394578.db2.gz VCZMRRDXMXWMII-HTAPYJJXSA-N 1 0 415.969 3.049 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cnc5cccc(Cl)c5n4)C3)O2)CC1 ZINC001164893559 721394700 /nfs/dbraw/zinc/39/47/00/721394700.db2.gz VCZMRRDXMXWMII-JTSKRJEESA-N 1 0 415.969 3.049 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nnc(Cl)c5ccsc54)C3)O2)CC1 ZINC001164889326 721395452 /nfs/dbraw/zinc/39/54/52/721395452.db2.gz LSAJFJMVHNTTBB-YWZLYKJASA-N 1 0 421.998 3.110 20 0 HGADRO COc1ccc2ccc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nc2c1 ZINC001164885159 721419684 /nfs/dbraw/zinc/41/96/84/721419684.db2.gz GCDMAMWPDPPZGX-QPPBQGQZSA-N 1 0 410.562 3.009 20 0 HGADRO CSc1ccnc(Cl)c1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164890594 721421118 /nfs/dbraw/zinc/42/11/18/721421118.db2.gz TZNGPQZEXVOWHW-OXQOHEQNSA-N 1 0 411.015 3.222 20 0 HGADRO Cc1ccc(-c2ccc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nn2)cc1 ZINC001164896567 721432172 /nfs/dbraw/zinc/43/21/72/721432172.db2.gz RNKAYAPDLXELSK-RCZVLFRGSA-N 1 0 421.589 3.217 20 0 HGADRO Cc1nc(C2CC2)nc(Cl)c1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164895375 721437999 /nfs/dbraw/zinc/43/79/99/721437999.db2.gz OCJCIDIORRNUHZ-XMSQKQJNSA-N 1 0 420.001 3.081 20 0 HGADRO COc1cccc2c1ccnc2N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164896206 721439815 /nfs/dbraw/zinc/43/98/15/721439815.db2.gz RBYHSBRQSHEKSW-CYFREDJKSA-N 1 0 410.562 3.009 20 0 HGADRO CC(C)c1c(Cl)ncnc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892233 721446297 /nfs/dbraw/zinc/44/62/97/721446297.db2.gz HTVLTDHPWLMPNE-UTKZUKDTSA-N 1 0 407.990 3.019 20 0 HGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3ccsc31)CC2 ZINC001164784053 721450718 /nfs/dbraw/zinc/45/07/18/721450718.db2.gz DITICVMJVOEANL-SFHVURJKSA-N 1 0 416.591 3.425 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C(C)C)ncn1)CC2 ZINC001164786880 721457806 /nfs/dbraw/zinc/45/78/06/721457806.db2.gz QDDNIDBTAHNNMD-HXUWFJFHSA-N 1 0 402.583 3.334 20 0 HGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(OC)cc(Cl)n1)CC2 ZINC001164785801 721458435 /nfs/dbraw/zinc/45/84/35/721458435.db2.gz NPOVVHRBPLODMG-SFHVURJKSA-N 1 0 423.985 3.478 20 0 HGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)cc(OC)n1)CC2 ZINC001164788652 721458844 /nfs/dbraw/zinc/45/88/44/721458844.db2.gz VDWHIBIFWAKSGD-FQEVSTJZSA-N 1 0 403.567 3.133 20 0 HGADRO CCOC(=O)Cc1cccnc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792581 721491021 /nfs/dbraw/zinc/49/10/21/721491021.db2.gz KYRKXGNEKQFPQL-UHFFFAOYSA-N 1 0 408.546 3.463 20 0 HGADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3c1ncn3C1CC1)CC2 ZINC001164796351 721500810 /nfs/dbraw/zinc/50/08/10/721500810.db2.gz QWAYUAYYSWLMEX-UHFFFAOYSA-N 1 0 403.534 3.437 20 0 HGADRO Cc1cc(Cl)nc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164900055 721512595 /nfs/dbraw/zinc/51/25/95/721512595.db2.gz NQCNVSLLAOMYIB-GDBMZVCRSA-N 1 0 412.843 3.464 20 0 HGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(-c4ccccc4)cc(Cl)n2)CC3)CC1 ZINC001164794934 721513375 /nfs/dbraw/zinc/51/33/75/721513375.db2.gz YMTHMAQMVHVPHQ-UHFFFAOYSA-N 1 0 422.964 3.366 20 0 HGADRO COC(=O)c1cc(Cl)cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164901426 721520151 /nfs/dbraw/zinc/52/01/51/721520151.db2.gz XEWUYJGOTCXPSQ-NVXWUHKLSA-N 1 0 405.857 3.003 20 0 HGADRO Cc1c[nH]c2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c12 ZINC001164899055 721525456 /nfs/dbraw/zinc/52/54/56/721525456.db2.gz JUFHBKIZBBVVMG-ZBFHGGJFSA-N 1 0 401.873 3.401 20 0 HGADRO CCOC(=O)c1c(C)cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1C ZINC001164909745 721540960 /nfs/dbraw/zinc/54/09/60/721540960.db2.gz RSSLAYONYNGFFI-QUCCMNQESA-N 1 0 413.493 3.356 20 0 HGADRO C=Cc1nc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1OC ZINC001164907202 721551143 /nfs/dbraw/zinc/55/11/43/721551143.db2.gz MQSSCENYHDSCIY-GOEBONIOSA-N 1 0 404.873 3.263 20 0 HGADRO COc1cc2c(cc1F)ncnc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164809861 721566809 /nfs/dbraw/zinc/56/68/09/721566809.db2.gz XPHDLIIFFGOUHV-JAXLGGSGSA-N 1 0 423.492 3.041 20 0 HGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccncc3)cn2)[C@H]2CCCO[C@H]12 ZINC001164805844 721575326 /nfs/dbraw/zinc/57/53/26/721575326.db2.gz PCXBLCZYNNWHMY-ZDXQCDESSA-N 1 0 401.514 3.407 20 0 HGADRO COC(=O)c1cc(C)nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164907946 721584902 /nfs/dbraw/zinc/58/49/02/721584902.db2.gz XCNIMOSEOGRHRH-NRFANRHFSA-N 1 0 416.472 3.309 20 0 HGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3c4c([nH]c32)CCC4)[C@@H]2CCCO[C@H]12 ZINC001164808297 721589228 /nfs/dbraw/zinc/58/92/28/721589228.db2.gz QGQQQYQTYPONKM-XPNTWCBSSA-N 1 0 403.530 3.315 20 0 HGADRO FC1(F)CCN(c2[nH+][n-]c(Cl)c3ncnc2-3)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908090 721712652 /nfs/dbraw/zinc/71/26/52/721712652.db2.gz VOBLOVOIFPKAQX-GOSISDBHSA-N 1 0 419.867 3.139 20 0 HGADRO CCN(CC)c1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncn1 ZINC001164906794 721715798 /nfs/dbraw/zinc/71/57/98/721715798.db2.gz OJICIGFZRDLAAH-NRFANRHFSA-N 1 0 416.520 3.456 20 0 HGADRO Cc1cnc2c(ccnc2N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164910789 721732114 /nfs/dbraw/zinc/73/21/14/721732114.db2.gz HUNLOAOFVDBUFG-OAQYLSRUSA-N 1 0 410.472 3.466 20 0 HGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(-c3cccc(Cl)c3)ncn2)CC1 ZINC001165009460 721745794 /nfs/dbraw/zinc/74/57/94/721745794.db2.gz DUEROUXQOSRRMM-UHFFFAOYSA-N 1 0 413.953 3.320 20 0 HGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2c(Cl)nc(Cl)nc2C2CC2)CC1 ZINC001165013266 721749502 /nfs/dbraw/zinc/74/95/02/721749502.db2.gz WEQMPBYYLDFWGE-UHFFFAOYSA-N 1 0 412.365 3.184 20 0 HGADRO CN(C)c1nc(Cl)cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165028853 721799954 /nfs/dbraw/zinc/79/99/54/721799954.db2.gz ZXANTJRALVYHCV-SZMVWBNQSA-N 1 0 400.958 3.328 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)c(F)cc3C(N)=O)C[C@H]21 ZINC001165018701 721806626 /nfs/dbraw/zinc/80/66/26/721806626.db2.gz BYBKQXWCAYJMSV-MZMPZRCHSA-N 1 0 417.916 3.105 20 0 HGADRO CCOC(=O)c1cnc(C)nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025088 721807419 /nfs/dbraw/zinc/80/74/19/721807419.db2.gz NNIAAZKOOBOTMR-DZFGPLHGSA-N 1 0 409.534 3.094 20 0 HGADRO COCc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(SC)n1 ZINC001165026882 721811023 /nfs/dbraw/zinc/81/10/23/721811023.db2.gz SAPWQBJMRKXYIV-PWIZWCRZSA-N 1 0 413.591 3.477 20 0 HGADRO COCCOC(=O)c1ccnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165027765 721829835 /nfs/dbraw/zinc/82/98/35/721829835.db2.gz TZULBGIICKBEJT-ILWGZMRPSA-N 1 0 424.545 3.017 20 0 HGADRO CCOC(=O)c1cccc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)n1 ZINC001165020511 721839822 /nfs/dbraw/zinc/83/98/22/721839822.db2.gz KAINCTLBIIYEBD-UHFFFAOYSA-N 1 0 413.518 3.376 20 0 HGADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1cnc(Cl)nc1Oc1ccc(F)cc1 ZINC001164935514 721880738 /nfs/dbraw/zinc/88/07/38/721880738.db2.gz XEZONICYRXHDGP-IAGOWNOFSA-N 1 0 405.905 3.276 20 0 HGADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2[C@@H](F)Oc1cccc(-c2ccc(Cl)nn2)c1 ZINC001164935079 721883649 /nfs/dbraw/zinc/88/36/49/721883649.db2.gz VQOUEYJSAKYDIN-SFHLNBCPSA-N 1 0 419.932 3.139 20 0 HGADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1cc(-c2nc(-c3cccs3)no2)ccn1 ZINC001164934192 721884738 /nfs/dbraw/zinc/88/47/38/721884738.db2.gz QEOMQLWDJQDCBK-IRXDYDNUSA-N 1 0 410.547 3.075 20 0 HGADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncnc5c4[C@@H](C)CC(=O)N5)CC3)C2)cc1 ZINC001164940432 721926646 /nfs/dbraw/zinc/92/66/46/721926646.db2.gz QFNZEBNPNYXGMA-SFHVURJKSA-N 1 0 421.545 3.102 20 0 HGADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(C(C)C)nc(N(C)C)n4)CC3)C2)cc1 ZINC001164940054 721927920 /nfs/dbraw/zinc/92/79/20/721927920.db2.gz PXHJIYXPUHQONW-UHFFFAOYSA-N 1 0 424.593 3.241 20 0 HGADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(-c5nnco5)ccn4)CC3)C2)cc1 ZINC001164940604 721932120 /nfs/dbraw/zinc/93/21/20/721932120.db2.gz UQLUXIKJYWKPFX-UHFFFAOYSA-N 1 0 405.502 3.311 20 0 HGADRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1nc(Cl)ncc1C(=O)OCC1CC1 ZINC001165041454 721933408 /nfs/dbraw/zinc/93/34/08/721933408.db2.gz XTMUAYUVDHXVAG-UHFFFAOYSA-N 1 0 402.873 3.020 20 0 HGADRO O=S(=O)(c1cccnc1N1CCCC[C@@H]1CC[NH+]1CCCC1)N1CCCCC1 ZINC001165050588 721976922 /nfs/dbraw/zinc/97/69/22/721976922.db2.gz ZEGNHNWIYJKZBS-LJQANCHMSA-N 1 0 406.596 3.101 20 0 HGADRO CCOc1cc2ncnc(N3CC[NH+](CCc4ccccn4)CC3)c2cc1OCC ZINC001165055063 722013244 /nfs/dbraw/zinc/01/32/44/722013244.db2.gz BIVCRUOAMHUTDM-UHFFFAOYSA-N 1 0 407.518 3.187 20 0 HGADRO c1ccc(CC[NH+]2CCN(c3nc4ccccc4nc3N3CCCCC3)CC2)nc1 ZINC001165055185 722016569 /nfs/dbraw/zinc/01/65/69/722016569.db2.gz LJAWISTYDCMDNF-UHFFFAOYSA-N 1 0 402.546 3.380 20 0 HGADRO COC(=O)/C=C/c1cc(C)cnc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955833 722020659 /nfs/dbraw/zinc/02/06/59/722020659.db2.gz OJVZHOWOHCRHBE-AATRIKPKSA-N 1 0 406.530 3.464 20 0 HGADRO FC(F)(c1cc(Cl)ncn1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164961156 722051701 /nfs/dbraw/zinc/05/17/01/722051701.db2.gz SPZXZIXOERJVAX-UHFFFAOYSA-N 1 0 423.895 3.189 20 0 HGADRO CCc1ncnc(Cl)c1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164961917 722052950 /nfs/dbraw/zinc/05/29/50/722052950.db2.gz YPSRDKNGMMNGPR-UHFFFAOYSA-N 1 0 401.942 3.206 20 0 HGADRO CSc1ncc(Cl)c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164961174 722053264 /nfs/dbraw/zinc/05/32/64/722053264.db2.gz UGJHODNNPBTURH-UHFFFAOYSA-N 1 0 419.982 3.366 20 0 HGADRO COc1cccc2c1ncnc2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164960509 722053868 /nfs/dbraw/zinc/05/38/68/722053868.db2.gz QKSMGUICMBXTFP-UHFFFAOYSA-N 1 0 419.529 3.152 20 0 HGADRO Cc1cccc2c1ncnc2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164958791 722054165 /nfs/dbraw/zinc/05/41/65/722054165.db2.gz GJCXPLIGGJNRQU-UHFFFAOYSA-N 1 0 403.530 3.452 20 0 HGADRO c1coc(-c2cnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)cn2)c1 ZINC001164962171 722055047 /nfs/dbraw/zinc/05/50/47/722055047.db2.gz ACTWRAGXUFUDIR-UHFFFAOYSA-N 1 0 405.502 3.251 20 0 HGADRO Cc1cccc2ncc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc12 ZINC001164962986 722055187 /nfs/dbraw/zinc/05/51/87/722055187.db2.gz GNDKQJFUCHRANC-UHFFFAOYSA-N 1 0 403.530 3.452 20 0 HGADRO Clc1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c2[nH]cnc2n1 ZINC001164962220 722055202 /nfs/dbraw/zinc/05/52/02/722055202.db2.gz BOCAKIJQVGBUOQ-UHFFFAOYSA-N 1 0 412.925 3.125 20 0 HGADRO COc1ccc(Cl)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963872 722056929 /nfs/dbraw/zinc/05/69/29/722056929.db2.gz PBRWLVQVYHAAAF-UHFFFAOYSA-N 1 0 402.926 3.258 20 0 HGADRO COc1nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc2ccccc21 ZINC001164963263 722057159 /nfs/dbraw/zinc/05/71/59/722057159.db2.gz KIMPQAMLZJBCAK-UHFFFAOYSA-N 1 0 419.529 3.152 20 0 HGADRO Clc1ccc2nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)[nH]c2n1 ZINC001164961492 722058999 /nfs/dbraw/zinc/05/89/99/722058999.db2.gz KUFVNHCONJPDAG-UHFFFAOYSA-N 1 0 412.925 3.125 20 0 HGADRO C[C@@H]1CCc2nnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)cc2C1 ZINC001164963414 722061246 /nfs/dbraw/zinc/06/12/46/722061246.db2.gz YXRNNFUXPHZSIG-LJQANCHMSA-N 1 0 407.562 3.115 20 0 HGADRO Cc1cc2ccncc2nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962214 722061491 /nfs/dbraw/zinc/06/14/91/722061491.db2.gz QEJFFKQKQNXAFU-UHFFFAOYSA-N 1 0 403.530 3.452 20 0 HGADRO FC(F)(c1cccnc1Cl)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981250 722100270 /nfs/dbraw/zinc/10/02/70/722100270.db2.gz KSMZERJUJOJRAY-FUHWJXTLSA-N 1 0 408.880 3.402 20 0 HGADRO Clc1cccc2c1ncnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981607 722106277 /nfs/dbraw/zinc/10/62/77/722106277.db2.gz LTMDNGATOPXPNO-PXNSSMCTSA-N 1 0 409.921 3.406 20 0 HGADRO COc1ccc2c(ccnc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164979913 722107230 /nfs/dbraw/zinc/10/72/30/722107230.db2.gz IIQFCPSQKZJBAM-NFBKMPQASA-N 1 0 404.514 3.366 20 0 HGADRO Clc1cc2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2cn1 ZINC001164982177 722109513 /nfs/dbraw/zinc/10/95/13/722109513.db2.gz WCYNLUCMQOMAMA-ICSRJNTNSA-N 1 0 409.921 3.406 20 0 HGADRO Clc1ccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cnc2c1 ZINC001164975666 722110801 /nfs/dbraw/zinc/11/08/01/722110801.db2.gz KEQIMXURVIJJDY-UWJYYQICSA-N 1 0 409.921 3.406 20 0 HGADRO Clc1nnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c2c1CCCC2 ZINC001164970858 722112682 /nfs/dbraw/zinc/11/26/82/722112682.db2.gz AAQIZFWVPWVFFF-FXAWDEMLSA-N 1 0 413.953 3.131 20 0 HGADRO Clc1ccnc2cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncc12 ZINC001164971855 722113704 /nfs/dbraw/zinc/11/37/04/722113704.db2.gz CRRZQASFVTUBEB-LAUBAEHRSA-N 1 0 409.921 3.406 20 0 HGADRO CCc1cc2c(ncnc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001164977405 722115547 /nfs/dbraw/zinc/11/55/47/722115547.db2.gz NASISJQHKTZNKT-YLJYHZDGSA-N 1 0 409.559 3.376 20 0 HGADRO CCc1c(Cl)nnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1CC ZINC001164980415 722119937 /nfs/dbraw/zinc/11/99/37/722119937.db2.gz RDBQBYGFHZKXFF-YLJYHZDGSA-N 1 0 415.969 3.377 20 0 HGADRO Clc1ccc2c(cnnc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164981164 722121203 /nfs/dbraw/zinc/12/12/03/722121203.db2.gz TZMGALLBHGFTCJ-DYESRHJHSA-N 1 0 409.921 3.406 20 0 HGADRO CSc1nc2ccccc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164980581 722123448 /nfs/dbraw/zinc/12/34/48/722123448.db2.gz RWFXNBCZRWHGTK-WIYYLYMNSA-N 1 0 421.570 3.474 20 0 HGADRO COc1ccc2cnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cc2c1 ZINC001164980967 722132389 /nfs/dbraw/zinc/13/23/89/722132389.db2.gz OGLNRLBBEMEMMR-REWPJTCUSA-N 1 0 404.514 3.366 20 0 HGADRO COc1ccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c(C)nc2c1 ZINC001164976069 722146642 /nfs/dbraw/zinc/14/66/42/722146642.db2.gz GYARHEFXVSRBGM-CVDCTZTESA-N 1 0 419.529 3.069 20 0 HGADRO COc1ccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c(C)nc2c1 ZINC001164976070 722146698 /nfs/dbraw/zinc/14/66/98/722146698.db2.gz GYARHEFXVSRBGM-WMZHIEFXSA-N 1 0 419.529 3.069 20 0 HGADRO Fc1cccc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)c1 ZINC001164985005 722148171 /nfs/dbraw/zinc/14/81/71/722148171.db2.gz YTHHGKZPGLHLBO-OFNKIYASSA-N 1 0 419.504 3.405 20 0 HGADRO c1ccc(Oc2nccnc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164985064 722150137 /nfs/dbraw/zinc/15/01/37/722150137.db2.gz ZBHOIRAUXMTCAV-IRLDBZIGSA-N 1 0 417.513 3.391 20 0 HGADRO CCOC(=O)c1cnc(OC)nc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995118 722198213 /nfs/dbraw/zinc/19/82/13/722198213.db2.gz RSYWPKAHBJCSMD-QFIPXVFZSA-N 1 0 414.481 3.046 20 0 HGADRO Cc1cc(C(F)(F)N2CCCn3cnc(COCC[NH+](C)C)c3C2)cc(Cl)n1 ZINC001165001039 722250848 /nfs/dbraw/zinc/25/08/48/722250848.db2.gz ZNQDPBLMUCTESN-UHFFFAOYSA-N 1 0 413.900 3.273 20 0 HGADRO Cc1ccc(C(F)(F)N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc1Cl ZINC001165002537 722254055 /nfs/dbraw/zinc/25/40/55/722254055.db2.gz PGKILHNJIHXQHR-UHFFFAOYSA-N 1 0 413.900 3.273 20 0 HGADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165003826 722256271 /nfs/dbraw/zinc/25/62/71/722256271.db2.gz IROQJUHOMWOCEM-UHFFFAOYSA-N 1 0 420.989 3.421 20 0 HGADRO COc1cc2ccnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2cc1F ZINC001165004342 722257857 /nfs/dbraw/zinc/25/78/57/722257857.db2.gz QFIZGXTYSNKJDT-UHFFFAOYSA-N 1 0 413.497 3.068 20 0 HGADRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000466906326 1126093989 /nfs/dbraw/zinc/09/39/89/1126093989.db2.gz KVVJAFBLMHNIFT-OAQYLSRUSA-N 1 0 407.514 3.250 20 0 HGADRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000466918344 1126094330 /nfs/dbraw/zinc/09/43/30/1126094330.db2.gz LLWNFOJLUZHVHE-NRFANRHFSA-N 1 0 418.965 3.053 20 0 HGADRO CC(C)(C)OC(=O)N1CCc2sc(C[NH2+][C@@H](CO)Cc3ccc(O)cc3)cc2C1 ZINC001180838914 1126152829 /nfs/dbraw/zinc/15/28/29/1126152829.db2.gz VVBLZWYZICOIRY-QGZVFWFLSA-N 1 0 418.559 3.440 20 0 HGADRO Cc1c(O)ccc2c(C[NH2+][C@@H](Cc3ccccc3)[C@H](O)C(F)(F)F)cc(=O)oc12 ZINC001460697505 1126192006 /nfs/dbraw/zinc/19/20/06/1126192006.db2.gz RXKGCRAYSLBRMQ-JXFKEZNVSA-N 1 0 407.388 3.431 20 0 HGADRO Nc1nc(Br)ccc1C[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC001460692630 1126191762 /nfs/dbraw/zinc/19/17/62/1126191762.db2.gz JQSJRXNHIKKEOF-TZMCWYRMSA-N 1 0 404.230 3.050 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(O)c(OC)cc2Br)cc1 ZINC001474698033 1126205124 /nfs/dbraw/zinc/20/51/24/1126205124.db2.gz JIFTXAVDZNFFMP-IBGZPJMESA-N 1 0 410.308 3.255 20 0 HGADRO Cn1cc(-c2nc(C[NH2+][C@@](C)(CO)Cc3ccc(Br)cc3)cs2)cn1 ZINC001560182923 1126208787 /nfs/dbraw/zinc/20/87/87/1126208787.db2.gz JTEIFQXGLMTWCA-GOSISDBHSA-N 1 0 421.364 3.389 20 0 HGADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC001560548702 1126212721 /nfs/dbraw/zinc/21/27/21/1126212721.db2.gz YGJLCQLZVIYSSN-IBGZPJMESA-N 1 0 401.308 3.113 20 0 HGADRO CCCOc1c(Br)cc(C[NH2+]CCN2CCOCC2)cc1OCC ZINC000020968181 558425107 /nfs/dbraw/zinc/42/51/07/558425107.db2.gz BTGACDATLRMLFT-UHFFFAOYSA-N 1 0 401.345 3.058 20 0 HGADRO O=C1CN(C(F)(F)c2cnc(Cl)c(-c3ccc(F)cc3)c2)CC2(CC[NH2+]CC2)N1 ZINC001164394055 718809958 /nfs/dbraw/zinc/80/99/58/718809958.db2.gz WVFVDHKIXODYBB-UHFFFAOYSA-N 1 0 424.854 3.144 20 0 HGADRO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001164407046 718861847 /nfs/dbraw/zinc/86/18/47/718861847.db2.gz VXCFURQLZDYSJV-QMTHXVAHSA-N 1 0 403.260 3.296 20 0 HGADRO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CCO[C@H]2C[NH2+]CC[C@H]2C1 ZINC001164407664 718862907 /nfs/dbraw/zinc/86/29/07/718862907.db2.gz ZOXBTDCZCPLMQJ-HZMBPMFUSA-N 1 0 403.260 3.296 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(OCc4ccccc4)cnn3)CC2)CC1 ZINC001164617894 719028670 /nfs/dbraw/zinc/02/86/70/719028670.db2.gz QXTHBNLZQOUBDQ-UHFFFAOYSA-N 1 0 424.545 3.300 20 0 HGADRO FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164626097 719048142 /nfs/dbraw/zinc/04/81/42/719048142.db2.gz QNXJIYSPLBRGSB-SCLBCKFNSA-N 1 0 404.852 3.086 20 0 HGADRO CCOC(=O)c1nc2ccn(C)c2c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164632395 719092161 /nfs/dbraw/zinc/09/21/61/719092161.db2.gz ZITVRGGHCKFFAV-AZUAARDMSA-N 1 0 419.529 3.246 20 0 HGADRO CCCNC(=O)c1cc(Cl)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164621883 719114208 /nfs/dbraw/zinc/11/42/08/719114208.db2.gz BJZRICKTUAKMRS-MJGOQNOKSA-N 1 0 413.953 3.371 20 0 HGADRO CC(C)c1nccc([C@@H]2C[C@H]3CCN(c4cccc(N5CC[NH+](C)CC5)n4)C[C@H]3O2)n1 ZINC001164638266 719261750 /nfs/dbraw/zinc/26/17/50/719261750.db2.gz OEMFDMGDVXMSDB-HLAWJBBLSA-N 1 0 422.577 3.103 20 0 HGADRO C[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc(-c4ccc(-c5ccccc5)cc4)n3)C[C@H]21 ZINC001164669310 719394754 /nfs/dbraw/zinc/39/47/54/719394754.db2.gz URFGRJWHWVRFHQ-MOPGFXCFSA-N 1 0 407.905 3.378 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](C(=O)N3CC=CC3)C3(C2)CCOCC3)nc1 ZINC001164678178 719561455 /nfs/dbraw/zinc/56/14/55/719561455.db2.gz VVKOSLJOMUPVES-FCHUYYIVSA-N 1 0 424.589 3.260 20 0 HGADRO CC(C)N(C)Cc1nn(-c2nc3cc(F)c(F)cc3nc2Cl)c2c1CC[NH2+]C2 ZINC001164684013 719616873 /nfs/dbraw/zinc/61/68/73/719616873.db2.gz LYZFOUBMJRROSY-UHFFFAOYSA-N 1 0 406.868 3.233 20 0 HGADRO CC(C)N(C)Cc1nn(-c2ncnc3[nH]c4ccc(Cl)cc4c32)c2c1CC[NH2+]C2 ZINC001164680211 719635977 /nfs/dbraw/zinc/63/59/77/719635977.db2.gz SCLYNQNXASUFJZ-UHFFFAOYSA-N 1 0 409.925 3.436 20 0 HGADRO CC(C)N(C)Cc1nn(-c2cc(SCc3ccccc3)ncn2)c2c1CC[NH2+]C2 ZINC001164679816 719645558 /nfs/dbraw/zinc/64/55/58/719645558.db2.gz OAZIITQEFCOLRU-UHFFFAOYSA-N 1 0 408.575 3.441 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)c(Cl)c1)CC2 ZINC001164686334 719700823 /nfs/dbraw/zinc/70/08/23/719700823.db2.gz ZVKKSBABPZNARI-UHFFFAOYSA-N 1 0 407.292 3.114 20 0 HGADRO COC(=O)c1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)ncc1C ZINC001164697678 719894119 /nfs/dbraw/zinc/89/41/19/719894119.db2.gz NLASGWQLVOCOBF-UHFFFAOYSA-N 1 0 401.532 3.110 20 0 HGADRO COCc1nn(-c2nc(CN3CCCCC3)nc3sc(C)c(C)c32)c2c1C[NH2+]C2 ZINC001164715151 720079298 /nfs/dbraw/zinc/07/92/98/720079298.db2.gz ZCESFYSBHGCSIP-UHFFFAOYSA-N 1 0 412.563 3.229 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C(=O)OC(C)(C)C)ccn1)C2 ZINC001164811293 720082618 /nfs/dbraw/zinc/08/26/18/720082618.db2.gz NSLSEFQSRJTTHA-XXBNENTESA-N 1 0 401.551 3.222 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nc(C)n1)C2 ZINC001164808530 720086486 /nfs/dbraw/zinc/08/64/86/720086486.db2.gz HWDMRYAKEDOSMB-QAPCUYQASA-N 1 0 400.901 3.168 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3[nH]cc(C)c31)CC2 ZINC001164710023 720093426 /nfs/dbraw/zinc/09/34/26/720093426.db2.gz FQTXASCLBOPQCU-IBGZPJMESA-N 1 0 406.534 3.169 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)Oc1cccc(Cl)n1)C2 ZINC001164809786 720094829 /nfs/dbraw/zinc/09/48/29/720094829.db2.gz KHDJNIOQLURODM-MAUKXSAKSA-N 1 0 401.885 3.344 20 0 HGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)ncc1F)CC2 ZINC001164709950 720095684 /nfs/dbraw/zinc/09/56/84/720095684.db2.gz DCCHSMPUHRNDHS-MRXNPFEDSA-N 1 0 405.905 3.172 20 0 HGADRO CCOC(=O)c1c(C)cc(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164813579 720098549 /nfs/dbraw/zinc/09/85/49/720098549.db2.gz TXELZFTYAJFBAW-VGOFRKELSA-N 1 0 421.969 3.405 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3ccc(OC)cc3nc1Cl)C2 ZINC001164810675 720102302 /nfs/dbraw/zinc/10/23/02/720102302.db2.gz KOLFTNVDDGFFGJ-OPAMFIHVSA-N 1 0 416.953 3.477 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc(OCc3ccccc3)n1)C2 ZINC001164808618 720113283 /nfs/dbraw/zinc/11/32/83/720113283.db2.gz FWDWISWXQAFTJD-URXFXBBRSA-N 1 0 408.546 3.240 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(Cl)nc1C)CC2 ZINC001164715463 720122008 /nfs/dbraw/zinc/12/20/08/720122008.db2.gz FXRZOHCLMGONLT-SFHVURJKSA-N 1 0 401.942 3.341 20 0 HGADRO CCOC(=O)c1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)c(Cl)c1 ZINC001164808509 720122066 /nfs/dbraw/zinc/12/20/66/720122066.db2.gz FKFOJGMULNEVJF-LAUBAEHRSA-N 1 0 407.942 3.096 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc(-c3cccc(OC)c3)n1)C2 ZINC001164807060 720145116 /nfs/dbraw/zinc/14/51/16/720145116.db2.gz AXCQWWNPRPRCHH-YKSBVNFPSA-N 1 0 408.546 3.337 20 0 HGADRO CCCN(CCC)c1cncc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)n1 ZINC001164813814 720146202 /nfs/dbraw/zinc/14/62/02/720146202.db2.gz QYQVPDPMMDPTJX-OFNKIYASSA-N 1 0 401.599 3.288 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nc(=S)[nH]1)C2 ZINC001164818136 720152654 /nfs/dbraw/zinc/15/26/54/720152654.db2.gz RVGKBGYROHHJPD-SUMWQHHRSA-N 1 0 418.941 3.148 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccncc3)nc3c1CCC3)C2 ZINC001164816673 720185573 /nfs/dbraw/zinc/18/55/73/720185573.db2.gz MAXMQSMYMWRVPH-NBGIEHNGSA-N 1 0 419.573 3.212 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C(N)=S)c3ccsc31)C2 ZINC001164814644 720203114 /nfs/dbraw/zinc/20/31/14/720203114.db2.gz VPALYQLZGVNIOY-YCRPNKLZSA-N 1 0 416.616 3.115 20 0 HGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(-c3cccs3)ncn1)CCC2 ZINC001164814548 720239156 /nfs/dbraw/zinc/23/91/56/720239156.db2.gz XVNSRGJQVNMYCV-UHFFFAOYSA-N 1 0 410.547 3.012 20 0 HGADRO COc1cccc2c1ccnc2N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164814535 720240303 /nfs/dbraw/zinc/24/03/03/720240303.db2.gz XJAILAXFYHDTQY-UHFFFAOYSA-N 1 0 407.518 3.051 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cccnc2Cl)CC1 ZINC001164818611 720289476 /nfs/dbraw/zinc/28/94/76/720289476.db2.gz ASPSYKXEDUDTBM-IRXDYDNUSA-N 1 0 412.912 3.191 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cccc(Cl)n2)CC1 ZINC001164819625 720289884 /nfs/dbraw/zinc/28/98/84/720289884.db2.gz FIQDCDVMLUMOQK-HOTGVXAUSA-N 1 0 412.912 3.191 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccnc(-c3ccccc3)n2)CC1 ZINC001164818958 720301289 /nfs/dbraw/zinc/30/12/89/720301289.db2.gz CCDHBXGTVQNGHK-RTWAWAEBSA-N 1 0 405.546 3.055 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3ccc(Cl)cc32)CC1 ZINC001164820045 720302709 /nfs/dbraw/zinc/30/27/09/720302709.db2.gz GOUHPNFDGGVIRD-PMACEKPBSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(Cl)nc3c2CCC3)CC1 ZINC001164823931 720306904 /nfs/dbraw/zinc/30/69/04/720306904.db2.gz QSQZZOPRTIGBOZ-OALUTQOASA-N 1 0 402.970 3.135 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2csc3ncnc(Cl)c23)CC1 ZINC001164823774 720311111 /nfs/dbraw/zinc/31/11/11/720311111.db2.gz PQXDJSNCNZLEKH-CABCVRRESA-N 1 0 419.982 3.256 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(-c3cccs3)nn2)CC1 ZINC001164833886 720326576 /nfs/dbraw/zinc/32/65/76/720326576.db2.gz XVBBUCVMDCRCGS-RTBURBONSA-N 1 0 411.575 3.117 20 0 HGADRO COc1ccc2cnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)cc2c1 ZINC001164831992 720330208 /nfs/dbraw/zinc/33/02/08/720330208.db2.gz SRJLNKFCZQKADI-FGZHOGPDSA-N 1 0 408.546 3.155 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)cc(C(C)(C)C)n2)CC1 ZINC001164832957 720333391 /nfs/dbraw/zinc/33/33/91/720333391.db2.gz UZKWNYUMDQILEJ-SJORKVTESA-N 1 0 420.001 3.339 20 0 HGADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164722999 720335559 /nfs/dbraw/zinc/33/55/59/720335559.db2.gz GQIVMBLBTQYXEY-ROUUACIJSA-N 1 0 400.910 3.468 20 0 HGADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164722990 720335923 /nfs/dbraw/zinc/33/59/23/720335923.db2.gz GQIVMBLBTQYXEY-MSOLQXFVSA-N 1 0 400.910 3.468 20 0 HGADRO O=C(NC1CCCCC1)c1cccnc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721718 720341380 /nfs/dbraw/zinc/34/13/80/720341380.db2.gz DBXPIXKMWKATFP-VXKWHMMOSA-N 1 0 405.546 3.392 20 0 HGADRO CCc1nc2sccc2c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164829344 720347973 /nfs/dbraw/zinc/34/79/73/720347973.db2.gz RKNXNKPRXVGTJC-ROUUACIJSA-N 1 0 413.591 3.165 20 0 HGADRO CCOC(=O)c1ccc2ncnc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164725351 720385416 /nfs/dbraw/zinc/38/54/16/720385416.db2.gz MTGQAMCJLNXUQJ-NHCUHLMSSA-N 1 0 403.486 3.055 20 0 HGADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727062 720387337 /nfs/dbraw/zinc/38/73/37/720387337.db2.gz QFEAVNREQVDLBY-RBUKOAKNSA-N 1 0 423.904 3.318 20 0 HGADRO Cc1nc(CO[C@@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)[C@@H]3CCCO[C@H]23)cs1 ZINC001164821835 720391362 /nfs/dbraw/zinc/39/13/62/720391362.db2.gz JGWHCHIKRQDGIA-SJBKTWHCSA-N 1 0 414.575 3.395 20 0 HGADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725095 720395929 /nfs/dbraw/zinc/39/59/29/720395929.db2.gz LUOQWKBVQOCSIB-QZTJIDSGSA-N 1 0 400.910 3.468 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@H](CC(=O)NC(C)C)[C@@H]3C2)nc1 ZINC001164827199 720424037 /nfs/dbraw/zinc/42/40/37/720424037.db2.gz RSKNOZVCWKERNL-LNRXMEIDSA-N 1 0 414.594 3.242 20 0 HGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3ccnc(Cl)n3)CC[C@@H]21 ZINC001164839385 720505344 /nfs/dbraw/zinc/50/53/44/720505344.db2.gz TUHGOMUZRBWWQR-PMPSAXMXSA-N 1 0 410.900 3.249 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164832977 720513964 /nfs/dbraw/zinc/51/39/64/720513964.db2.gz CEWQGSAJTCUYOG-OWCLPIDISA-N 1 0 410.900 3.249 20 0 HGADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cc(-c3ccc(Cl)nn3)ccc2F)C1 ZINC001164734261 720527356 /nfs/dbraw/zinc/52/73/56/720527356.db2.gz PBIJNGFPKWZBND-CQSZACIVSA-N 1 0 400.889 3.331 20 0 HGADRO COc1ccc2c(c1)ncnc2N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164834946 720545567 /nfs/dbraw/zinc/54/55/67/720545567.db2.gz GBBVRBIWDZQQKT-JBYIUTFZSA-N 1 0 406.534 3.213 20 0 HGADRO CCOC(=O)c1cc(C)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164836338 720546756 /nfs/dbraw/zinc/54/67/56/720546756.db2.gz JOUUFMOOWKPKOS-SFHLNBCPSA-N 1 0 411.550 3.141 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)cc3N)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840201 720549429 /nfs/dbraw/zinc/54/94/29/720549429.db2.gz SDGQDIZVPZFYRM-RVKKMQEKSA-N 1 0 424.927 3.436 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)cc3N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840200 720550138 /nfs/dbraw/zinc/55/01/38/720550138.db2.gz SDGQDIZVPZFYRM-RLFYNMQTSA-N 1 0 424.927 3.436 20 0 HGADRO COc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ncc2c1 ZINC001164836404 720550571 /nfs/dbraw/zinc/55/05/71/720550571.db2.gz JYYXVOAQRPWTIF-NNMXDRDESA-N 1 0 406.534 3.213 20 0 HGADRO COc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc2ccccc21 ZINC001164833628 720557818 /nfs/dbraw/zinc/55/78/18/720557818.db2.gz AYPQMDKMTCWTHR-DBXWQHBBSA-N 1 0 406.534 3.213 20 0 HGADRO CSc1nc2ccsc2c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164728847 720561448 /nfs/dbraw/zinc/56/14/48/720561448.db2.gz NNZXTSFDCLXPPP-UHFFFAOYSA-N 1 0 400.577 3.268 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cncc(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842230 720580968 /nfs/dbraw/zinc/58/09/68/720580968.db2.gz UUZXTVAPUVNWGE-HRCADAONSA-N 1 0 410.900 3.249 20 0 HGADRO FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736594 720585534 /nfs/dbraw/zinc/58/55/34/720585534.db2.gz OKOLDODHVHPKHB-UHFFFAOYSA-N 1 0 421.883 3.011 20 0 HGADRO Fc1ccc2c(Cl)ncnc2c1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164744400 720595476 /nfs/dbraw/zinc/59/54/76/720595476.db2.gz SAANEJAUCKHCTR-UHFFFAOYSA-N 1 0 400.889 3.277 20 0 HGADRO Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(-c2ccccn2)n1 ZINC001164840084 720600404 /nfs/dbraw/zinc/60/04/04/720600404.db2.gz OYIPLXHYBHHWRZ-RZUBCFFCSA-N 1 0 417.561 3.421 20 0 HGADRO CC(C)[N@@H+]1[C@@H](Cn2cccn2)C[C@@H]2CN(c3ccc(N4CCC(C)CC4)nn3)CC[C@H]21 ZINC001164840081 720607414 /nfs/dbraw/zinc/60/74/14/720607414.db2.gz OWSHSJWKXXCATJ-YPAWHYETSA-N 1 0 423.609 3.287 20 0 HGADRO COC(=O)c1cc(F)cnc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840550 720664547 /nfs/dbraw/zinc/66/45/47/720664547.db2.gz NKJZSJDACJBSRB-IBGZPJMESA-N 1 0 413.493 3.267 20 0 HGADRO Clc1cnc2cc(Cl)c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)cc2n1 ZINC001164740621 720679587 /nfs/dbraw/zinc/67/95/87/720679587.db2.gz RCTOBJARSGODIU-STQMWFEESA-N 1 0 417.300 3.069 20 0 HGADRO C[C@H]1CC(=O)Nc2ncnc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c21 ZINC001164844807 720692904 /nfs/dbraw/zinc/69/29/04/720692904.db2.gz UYWHCMMPNDCFPX-HKUYNNGSSA-N 1 0 421.545 3.182 20 0 HGADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3c1ncn3C1CC1)CC2 ZINC001164839809 720714698 /nfs/dbraw/zinc/71/46/98/720714698.db2.gz NFCWMIAFGSUYSI-FQEVSTJZSA-N 1 0 418.545 3.421 20 0 HGADRO CCOC(=O)Cc1ccnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164836916 720727987 /nfs/dbraw/zinc/72/79/87/720727987.db2.gz BVKUADJDPCCYRP-QFIPXVFZSA-N 1 0 423.557 3.447 20 0 HGADRO Cc1csc2c1nc(Cl)cc2N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737872 720735409 /nfs/dbraw/zinc/73/54/09/720735409.db2.gz DDLBAHAXKDIQAH-KBPBESRZSA-N 1 0 401.923 3.390 20 0 HGADRO CC(C)(C)c1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(C(C)(C)C)n1 ZINC001164737238 720756141 /nfs/dbraw/zinc/75/61/41/720756141.db2.gz BGXXWHTZJITIKF-DLBZAZTESA-N 1 0 410.566 3.204 20 0 HGADRO O=C1CC[C@@H]2[C@H](CCN2c2cccc(OCC[NH+]3CCCC3)n2)N1c1ccccc1 ZINC001164850939 720765434 /nfs/dbraw/zinc/76/54/34/720765434.db2.gz YIBSETIZPHNCBP-RTWAWAEBSA-N 1 0 406.530 3.331 20 0 HGADRO c1ccc2c(c1)cccc2-c1ccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nn1 ZINC001164742941 720784833 /nfs/dbraw/zinc/78/48/33/720784833.db2.gz PQYOINHLSFGUGW-WOJBJXKFSA-N 1 0 424.508 3.429 20 0 HGADRO Clc1cc(C2CCCCC2)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164752825 720802229 /nfs/dbraw/zinc/80/22/29/720802229.db2.gz ZZZIKJIITDDGBR-DLBZAZTESA-N 1 0 414.941 3.310 20 0 HGADRO FC(F)(c1ccc(Cl)nc1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743353 720808025 /nfs/dbraw/zinc/80/80/25/720808025.db2.gz FHWNOGKGTNNKPC-RYQLBKOJSA-N 1 0 422.911 3.251 20 0 HGADRO FC(F)(c1ccc(Cl)nc1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743351 720808176 /nfs/dbraw/zinc/80/81/76/720808176.db2.gz FHWNOGKGTNNKPC-CGTJXYLNSA-N 1 0 422.911 3.251 20 0 HGADRO COc1cccc2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc21 ZINC001164745101 720819246 /nfs/dbraw/zinc/81/92/46/720819246.db2.gz WFDIWMILOGYTAT-QHAWAJNXSA-N 1 0 418.545 3.214 20 0 HGADRO Clc1cc2ccnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2cn1 ZINC001164738453 720822182 /nfs/dbraw/zinc/82/21/82/720822182.db2.gz FWHHSZVUHFEUTJ-WSTZPKSXSA-N 1 0 423.952 3.254 20 0 HGADRO COc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ccc2c1 ZINC001164743295 720822211 /nfs/dbraw/zinc/82/22/11/720822211.db2.gz RYCHOCSVWXXLHA-SXWKCWPCSA-N 1 0 418.545 3.214 20 0 HGADRO CCc1cc2c(ncnc2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)s1 ZINC001164743807 720827417 /nfs/dbraw/zinc/82/74/17/720827417.db2.gz SKLUWRKWOTVOAH-MBOZVWFJSA-N 1 0 423.590 3.225 20 0 HGADRO Clc1ccnc2cnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cc12 ZINC001164745883 720836110 /nfs/dbraw/zinc/83/61/10/720836110.db2.gz OBUJDQDTPHFAOG-LLGFUMIMSA-N 1 0 423.952 3.254 20 0 HGADRO c1csc(-c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)c1 ZINC001164751125 720836254 /nfs/dbraw/zinc/83/62/54/720836254.db2.gz YNPRRLRFRVPDRM-QWFCFKBJSA-N 1 0 421.574 3.176 20 0 HGADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3Cl)CC[C@@H]2C1 ZINC001164857130 720837395 /nfs/dbraw/zinc/83/73/95/720837395.db2.gz XQOGRPJZOMLACV-IUODEOHRSA-N 1 0 410.292 3.107 20 0 HGADRO Clc1ccnc2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc12 ZINC001164751081 720843115 /nfs/dbraw/zinc/84/31/15/720843115.db2.gz YKJZVVGTTTVZQO-ABSDTBQOSA-N 1 0 423.952 3.254 20 0 HGADRO Cc1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)o1 ZINC001164749724 720852181 /nfs/dbraw/zinc/85/21/81/720852181.db2.gz OBPMVHRDWPYYQP-SVFBPWRDSA-N 1 0 419.533 3.016 20 0 HGADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(Cl)nc4cc(OC)ccc43)CC[C@H]2C1 ZINC001164862164 720853859 /nfs/dbraw/zinc/85/38/59/720853859.db2.gz ZEOKMXXLBJXXRB-YWZLYKJASA-N 1 0 405.926 3.070 20 0 HGADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(Cl)nc4cc(OC)ccc43)CC[C@H]2C1 ZINC001164862160 720854040 /nfs/dbraw/zinc/85/40/40/720854040.db2.gz ZEOKMXXLBJXXRB-MGPUTAFESA-N 1 0 405.926 3.070 20 0 HGADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3ccc(Cl)c(Cl)n3)CC[C@H]2C1 ZINC001164854969 720854309 /nfs/dbraw/zinc/85/43/09/720854309.db2.gz LWGHDIUZHPWPGH-JSGCOSHPSA-N 1 0 410.292 3.107 20 0 HGADRO c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(COC5CCC5)cn4)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164748667 720855664 /nfs/dbraw/zinc/85/56/64/720855664.db2.gz LMUDNEVVBMQBAH-FUDKSRODSA-N 1 0 422.577 3.122 20 0 HGADRO Cc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(C)n1 ZINC001164754342 720871851 /nfs/dbraw/zinc/87/18/51/720871851.db2.gz RHJXZHVSEXJUQY-VWNXMTODSA-N 1 0 407.562 3.244 20 0 HGADRO COc1cccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753494 720877802 /nfs/dbraw/zinc/87/78/02/720877802.db2.gz PQVZCULIIHRDSL-QPPBQGQZSA-N 1 0 408.546 3.240 20 0 HGADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(Cl)nc4c(F)ccc(F)c34)CC[C@@H]2C1 ZINC001164853848 720890724 /nfs/dbraw/zinc/89/07/24/720890724.db2.gz DAIVNBDEGDNFPY-DYVFJYSZSA-N 1 0 411.880 3.340 20 0 HGADRO COCc1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164751332 720914971 /nfs/dbraw/zinc/91/49/71/720914971.db2.gz LJVLADKKHRJONE-NOZRDPDXSA-N 1 0 422.573 3.378 20 0 HGADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(NC(=O)OC(C)(C)C)ncn1)[C@@H]2C ZINC001164861493 720936827 /nfs/dbraw/zinc/93/68/27/720936827.db2.gz SRASFXSNKPEMHW-OAHLLOKOSA-N 1 0 415.542 3.442 20 0 HGADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)COc1cncc(Cl)n1)[C@H]2C ZINC001164864108 721007469 /nfs/dbraw/zinc/00/74/69/721007469.db2.gz XKFJWICBEFBAIQ-ZDUSSCGKSA-N 1 0 414.888 3.215 20 0 HGADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncnc3c1ncn3-c1ccccc1)[C@@H]2C ZINC001164856682 721015146 /nfs/dbraw/zinc/01/51/46/721015146.db2.gz BIRXHIGUHXDEAV-QGZVFWFLSA-N 1 0 416.533 3.433 20 0 HGADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)Oc1cnc(Cl)cn1)[C@H]2C ZINC001164858839 721021952 /nfs/dbraw/zinc/02/19/52/721021952.db2.gz HVBKWRMSFPNIGC-LBPRGKRZSA-N 1 0 400.861 3.173 20 0 HGADRO COc1cc(C(F)(F)N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)nc(Cl)n1 ZINC001164857264 721021964 /nfs/dbraw/zinc/02/19/64/721021964.db2.gz BYYIJFPPNXNOOJ-GFCCVEGCSA-N 1 0 414.888 3.301 20 0 HGADRO Clc1c[nH]c2nc(Cl)nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164871537 721045098 /nfs/dbraw/zinc/04/50/98/721045098.db2.gz ZNHJQRMKZQDGPN-ZIAGYGMSSA-N 1 0 419.316 3.139 20 0 HGADRO Cc1ccc(C[NH+]2CCC3(CCN(c4cncc(-n5cncn5)n4)CC3)CC2)cc1 ZINC001164760450 721046832 /nfs/dbraw/zinc/04/68/32/721046832.db2.gz UWKCYHJXKRBJGX-UHFFFAOYSA-N 1 0 403.534 3.248 20 0 HGADRO COc1cc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)cc(Cl)n1 ZINC001164867786 721054905 /nfs/dbraw/zinc/05/49/05/721054905.db2.gz KLJXYCWRMSQCDR-IAGOWNOFSA-N 1 0 424.879 3.163 20 0 HGADRO FC(F)(Oc1ccc(Cl)nc1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865864 721069850 /nfs/dbraw/zinc/06/98/50/721069850.db2.gz AUDRZTGCGYQQFK-NVXWUHKLSA-N 1 0 410.852 3.034 20 0 HGADRO Clc1ncnc2scc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c21 ZINC001164868924 721075599 /nfs/dbraw/zinc/07/55/99/721075599.db2.gz RFSMMRSLNQZIFH-CABCVRRESA-N 1 0 401.923 3.219 20 0 HGADRO FC(F)(COc1ccnc(Cl)c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164863411 721083017 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XDOOGRVXRNEYKK-HKUYNNGSSA-N 1 0 401.942 3.123 20 0 HGADRO Cn1cnc2c1nc(Cl)nc2N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995036 722197053 /nfs/dbraw/zinc/19/70/53/722197053.db2.gz RMJIXCRZFOUJNC-FQEVSTJZSA-N 1 0 400.889 3.401 20 0 HGADRO Cn1cnc2c1nc(Cl)nc2N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995039 722197350 /nfs/dbraw/zinc/19/73/50/722197350.db2.gz RMJIXCRZFOUJNC-HXUWFJFHSA-N 1 0 400.889 3.401 20 0 HGADRO O=c1ccccn1-c1nccc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164996260 722209475 /nfs/dbraw/zinc/20/94/75/722209475.db2.gz SIIVTXRHRZKJHU-HSZRJFAPSA-N 1 0 405.477 3.012 20 0 HGADRO CCNC(=O)c1cc(Cl)nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164998486 722213683 /nfs/dbraw/zinc/21/36/83/722213683.db2.gz VZQDGOAXNXXSAR-OAQYLSRUSA-N 1 0 417.916 3.264 20 0 HGADRO Cc1cccc2c(Cl)nnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c12 ZINC001164999549 722253053 /nfs/dbraw/zinc/25/30/53/722253053.db2.gz BKRBSZUKMOMRRH-UHFFFAOYSA-N 1 0 414.941 3.277 20 0 HGADRO CC(C)c1ccc2ncnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2c1 ZINC001165004905 722256693 /nfs/dbraw/zinc/25/66/93/722256693.db2.gz WZYDEHZJKQCADQ-UHFFFAOYSA-N 1 0 408.550 3.438 20 0 HGADRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000537297405 1126096711 /nfs/dbraw/zinc/09/67/11/1126096711.db2.gz YWEXCVSTCJEHLT-AWEZNQCLSA-N 1 0 403.276 3.352 20 0 HGADRO OC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000480481966 1126094948 /nfs/dbraw/zinc/09/49/48/1126094948.db2.gz XBJGSRHBIYYCPF-LJQANCHMSA-N 1 0 423.326 3.118 20 0 HGADRO COc1cc(Br)c(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)F)cc1O ZINC000494598769 1126095017 /nfs/dbraw/zinc/09/50/17/1126095017.db2.gz FRDKPJUDQMNLDQ-WMLDXEAASA-N 1 0 416.262 3.490 20 0 HGADRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000604766553 1126100302 /nfs/dbraw/zinc/10/03/02/1126100302.db2.gz HFHMSLYHAJIWOK-CQSZACIVSA-N 1 0 403.276 3.352 20 0 HGADRO CCN(C)c1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cn1 ZINC001179146956 1126151540 /nfs/dbraw/zinc/15/15/40/1126151540.db2.gz DISUTBXOWALLEB-FQEVSTJZSA-N 1 0 404.352 3.310 20 0 HGADRO COC(=O)c1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(OC)cc2)cc1Br ZINC001183686219 1126153209 /nfs/dbraw/zinc/15/32/09/1126153209.db2.gz PMBREGAMFJBNPP-HXUWFJFHSA-N 1 0 422.319 3.328 20 0 HGADRO COC(=O)c1ccc(Br)c(C[NH2+][C@@](C)(CO)Cc2ccccc2F)c1 ZINC001308117899 1126163881 /nfs/dbraw/zinc/16/38/81/1126163881.db2.gz OPKKGSQEGHCNJW-LJQANCHMSA-N 1 0 410.283 3.458 20 0 HGADRO CC(=O)Oc1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cc1 ZINC001307929341 1126162081 /nfs/dbraw/zinc/16/20/81/1126162081.db2.gz MEZCCVQKAKLBCY-FQEVSTJZSA-N 1 0 404.304 3.384 20 0 HGADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cnc(CCc3ccccc3)s2)[C@H](O)C1 ZINC001308496155 1126167631 /nfs/dbraw/zinc/16/76/31/1126167631.db2.gz QIPRCIABKJTMJS-RTBURBONSA-N 1 0 417.575 3.388 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cnc3ccc(Br)cn23)cc1 ZINC001308513690 1126167750 /nfs/dbraw/zinc/16/77/50/1126167750.db2.gz PNHZMWQVXIJCCM-LJQANCHMSA-N 1 0 404.308 3.189 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc3c(cc2Cl)OCCO3)cc1OC ZINC001460867985 1126192899 /nfs/dbraw/zinc/19/28/99/1126192899.db2.gz LDIPDVJJZYSJJW-NRFANRHFSA-N 1 0 407.894 3.212 20 0 HGADRO COC(=O)c1ccc(F)c(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)c1 ZINC001460872246 1126193448 /nfs/dbraw/zinc/19/34/48/1126193448.db2.gz UYBLJJJEQMINFT-IBGZPJMESA-N 1 0 410.283 3.458 20 0 HGADRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC001473840007 1126200454 /nfs/dbraw/zinc/20/04/54/1126200454.db2.gz OKILJYOHSWLYCV-SFHVURJKSA-N 1 0 403.878 3.420 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ncc(Br)cc2F)cc1OC ZINC001473840161 1126200523 /nfs/dbraw/zinc/20/05/23/1126200523.db2.gz RUCRPVUETGVYJM-SFHVURJKSA-N 1 0 413.287 3.084 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(Cl)c(OC)c(OC)c2)cc1OC ZINC001461735055 1126196635 /nfs/dbraw/zinc/19/66/35/1126196635.db2.gz KECFZGJLLIFFDM-OAQYLSRUSA-N 1 0 409.910 3.458 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ncc(Br)cc2F)cc1OC ZINC001473840160 1126200661 /nfs/dbraw/zinc/20/06/61/1126200661.db2.gz RUCRPVUETGVYJM-GOSISDBHSA-N 1 0 413.287 3.084 20 0 HGADRO COC(=O)c1sccc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC001559996930 1126207179 /nfs/dbraw/zinc/20/71/79/1126207179.db2.gz JLNGXAOCWXUUTA-GOSISDBHSA-N 1 0 410.333 3.307 20 0 HGADRO CC(C)(C)OC(=O)N1CCc2nc(C[NH2+][C@H](CO)Cc3ccc(F)cc3)sc2C1 ZINC001560458751 1126211270 /nfs/dbraw/zinc/21/12/70/1126211270.db2.gz DIBWJDJYDCMJJC-INIZCTEOSA-N 1 0 421.538 3.269 20 0 HGADRO Cc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)ccc1-n1cncn1 ZINC000328602188 569416545 /nfs/dbraw/zinc/41/65/45/569416545.db2.gz ASOHUDNXGXMBIZ-AUSIDOKSSA-N 1 0 404.518 3.465 20 0 HGADRO COc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(-c3ccc(F)cc3)c2)cc1 ZINC000328605083 569417871 /nfs/dbraw/zinc/41/78/71/569417871.db2.gz MHNMWHVVSNLRSS-GAJHUEQPSA-N 1 0 408.477 3.329 20 0 HGADRO O=C1CN(C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)CC2(CC[NH2+]CC2)N1 ZINC001164394090 718809947 /nfs/dbraw/zinc/80/99/47/718809947.db2.gz XIPBJWORJZQDML-UHFFFAOYSA-N 1 0 412.893 3.067 20 0 HGADRO CC(C)c1ccc(-c2cc(C(F)(F)N3C[C@H]4C[NH2+]C[C@@]4(CO)C3)c(Cl)nn2)cc1 ZINC001164410303 718854880 /nfs/dbraw/zinc/85/48/80/718854880.db2.gz ZWSNRFUFDUZFNL-UZLBHIALSA-N 1 0 422.907 3.483 20 0 HGADRO Fc1cccc(-c2cc(C(F)(F)N3CCO[C@H]4C[NH2+]CC[C@@H]4C3)c(Cl)nn2)c1 ZINC001164404973 718865432 /nfs/dbraw/zinc/86/54/32/718865432.db2.gz BYFRSWBOBZQWAZ-DYVFJYSZSA-N 1 0 412.843 3.296 20 0 HGADRO C[NH+](C)Cc1ccnc(N2CCO[C@@H](c3ncn4c3cccc4Br)C2)c1 ZINC001164421796 718891086 /nfs/dbraw/zinc/89/10/86/718891086.db2.gz YGUHLVHEYQHJAG-MRXNPFEDSA-N 1 0 416.323 3.131 20 0 HGADRO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164426291 718919809 /nfs/dbraw/zinc/91/98/09/718919809.db2.gz ZGYMBQVUNYJGKY-LJQANCHMSA-N 1 0 415.912 3.134 20 0 HGADRO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1C[C@@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164422682 718941406 /nfs/dbraw/zinc/94/14/06/718941406.db2.gz BEFJFGSLGVKKSK-CVEARBPZSA-N 1 0 405.880 3.351 20 0 HGADRO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1C[C@@H]2[NH2+]Cc3ccccc3[C@@H]2C1 ZINC001164427911 718948137 /nfs/dbraw/zinc/94/81/37/718948137.db2.gz HARHIRXFZRAXPG-STQMWFEESA-N 1 0 407.877 3.446 20 0 HGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cccnc1Cl)C2 ZINC001164614113 719006596 /nfs/dbraw/zinc/00/65/96/719006596.db2.gz CLBXJVKDYZVWRO-KXBFYZLASA-N 1 0 413.896 3.429 20 0 HGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc(-c2ccc(Cl)nn2)cc1 ZINC001164619643 719018123 /nfs/dbraw/zinc/01/81/23/719018123.db2.gz WMEDQTWJQYWVRE-RRQGHBQHSA-N 1 0 422.863 3.072 20 0 HGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc(Cl)nc1C(F)(F)F ZINC001164620171 719018987 /nfs/dbraw/zinc/01/89/87/719018987.db2.gz YAMZJQUDAKMFRO-DVVUODLYSA-N 1 0 413.774 3.029 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(C(=O)OC(C)(C)C)ccn3)CC2)CC1 ZINC001164614353 719022791 /nfs/dbraw/zinc/02/27/91/719022791.db2.gz RLSSHHTWISUOHN-UHFFFAOYSA-N 1 0 417.550 3.281 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(CC)nc4sccc43)CC2)CC1 ZINC001164617180 719033905 /nfs/dbraw/zinc/03/39/05/719033905.db2.gz JBUUUTPVKWKQAE-UHFFFAOYSA-N 1 0 402.564 3.498 20 0 HGADRO FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164622683 719048487 /nfs/dbraw/zinc/04/84/87/719048487.db2.gz LDSJDNJHEFHJLK-FZKQIMNGSA-N 1 0 404.852 3.086 20 0 HGADRO O=c1ccccn1Cc1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC001164632572 719101025 /nfs/dbraw/zinc/10/10/25/719101025.db2.gz ZRSWAQPOPNBMRV-XZOQPEGZSA-N 1 0 400.526 3.392 20 0 HGADRO [NH3+]C1([C@@H]2CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)C[C@H]2CF)CC1 ZINC001164622737 719117140 /nfs/dbraw/zinc/11/71/40/719117140.db2.gz CIDCOVAXKDHPIS-NVXWUHKLSA-N 1 0 401.917 3.159 20 0 HGADRO [NH3+]C1([C@H]2CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)C[C@H]2CF)CC1 ZINC001164622747 719117368 /nfs/dbraw/zinc/11/73/68/719117368.db2.gz CIDCOVAXKDHPIS-WBVHZDCISA-N 1 0 401.917 3.159 20 0 HGADRO CCOC(=O)c1c[nH]c2cc(N3CCc4c(CN(C)C)nn(C(C)C)c4C3)[nH+]cc21 ZINC001164653600 719314536 /nfs/dbraw/zinc/31/45/36/719314536.db2.gz XKYIDZUSRKLLKV-UHFFFAOYSA-N 1 0 410.522 3.141 20 0 HGADRO CCN(CC)C(=O)c1nc2c(s1)CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164662953 719359801 /nfs/dbraw/zinc/35/98/01/719359801.db2.gz BAFVKZZAESSPCV-UHFFFAOYSA-N 1 0 413.591 3.221 20 0 HGADRO CCOC(=O)c1cc2ccccc2nc1-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164683524 719630648 /nfs/dbraw/zinc/63/06/48/719630648.db2.gz SQZNZEKZGKCEGV-UHFFFAOYSA-N 1 0 407.518 3.083 20 0 HGADRO Cc1cc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)nc(-c2ccc(Cl)nc2)n1 ZINC001164679800 719648231 /nfs/dbraw/zinc/64/82/31/719648231.db2.gz NKJXBWYANGIIKN-UHFFFAOYSA-N 1 0 411.941 3.172 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(Cl)ncc1Cl)CC2 ZINC001164683100 719699495 /nfs/dbraw/zinc/69/94/95/719699495.db2.gz IKZXSYBOBQVWLL-UHFFFAOYSA-N 1 0 407.292 3.114 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(Cl)nc(Cl)c1)CC2 ZINC001164686324 719701260 /nfs/dbraw/zinc/70/12/60/719701260.db2.gz ZHLYJLRMHXGFAJ-UHFFFAOYSA-N 1 0 407.292 3.114 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3ccccc3)nc3ccccc31)CC2 ZINC001164686321 719713441 /nfs/dbraw/zinc/71/34/41/719713441.db2.gz ZGINQGTYWIMJGW-UHFFFAOYSA-N 1 0 415.541 3.478 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc3cccc(Cl)c31)CC2 ZINC001164683611 719717226 /nfs/dbraw/zinc/71/72/26/719717226.db2.gz BBEHGKSAAWXNFC-UHFFFAOYSA-N 1 0 408.333 3.117 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(-c3cccc4ccccc43)nn1)CC2 ZINC001164690061 719747138 /nfs/dbraw/zinc/74/71/38/719747138.db2.gz RSEUPGOYDQMIRC-UHFFFAOYSA-N 1 0 415.541 3.478 20 0 HGADRO COC(=O)c1cc(Cl)nc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164693903 719803789 /nfs/dbraw/zinc/80/37/89/719803789.db2.gz VRGRPHNYXYENEB-UHFFFAOYSA-N 1 0 421.954 3.317 20 0 HGADRO COC(=O)c1cc(F)cnc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164693319 719803912 /nfs/dbraw/zinc/80/39/12/719803912.db2.gz RZNVWYZINOQSTG-UHFFFAOYSA-N 1 0 404.511 3.407 20 0 HGADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(Cn4cncn4)cn2)CC3)cs1 ZINC001164692024 719813918 /nfs/dbraw/zinc/81/39/18/719813918.db2.gz KTBIVZSAMDBXNZ-UHFFFAOYSA-N 1 0 409.563 3.121 20 0 HGADRO c1csc(C[N@@H+]2CCOC3(CCN(c4ccc(N5CCCCC5)nn4)CC3)C2)c1 ZINC001164701443 719886240 /nfs/dbraw/zinc/88/62/40/719886240.db2.gz NOSKBWZXDNUAQG-UHFFFAOYSA-N 1 0 413.591 3.400 20 0 HGADRO COc1c(Cl)nc(C)nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164699032 719892296 /nfs/dbraw/zinc/89/22/96/719892296.db2.gz VZIFSEFEIPFHBS-UHFFFAOYSA-N 1 0 408.955 3.380 20 0 HGADRO Cc1noc(-c2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nc2)n1 ZINC001164707883 719899342 /nfs/dbraw/zinc/89/93/42/719899342.db2.gz YCSYBHXPQBLXLI-UHFFFAOYSA-N 1 0 411.531 3.373 20 0 HGADRO c1csc(C[N@@H+]2CCOC3(CCN(c4ccc(-c5ccncc5)nn4)CC3)C2)c1 ZINC001164706271 719900157 /nfs/dbraw/zinc/90/01/57/719900157.db2.gz GPFKQRHDKYHDKG-UHFFFAOYSA-N 1 0 407.543 3.472 20 0 HGADRO CC(C)COc1nccnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164707508 719902171 /nfs/dbraw/zinc/90/21/71/719902171.db2.gz RZEYPAOVYGYPBK-UHFFFAOYSA-N 1 0 402.564 3.444 20 0 HGADRO CCOC(=O)c1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)ncc1Cl ZINC001164814245 720076477 /nfs/dbraw/zinc/07/64/77/720076477.db2.gz WIUBOTWRSROELX-IERDGZPVSA-N 1 0 407.942 3.096 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)Oc1cccnc1Cl)C2 ZINC001164807385 720090376 /nfs/dbraw/zinc/09/03/76/720090376.db2.gz FHPIEFBFZQBZJG-MAUKXSAKSA-N 1 0 401.885 3.344 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)Oc1cccc(Cl)n1)C2 ZINC001164809787 720095714 /nfs/dbraw/zinc/09/57/14/720095714.db2.gz KHDJNIOQLURODM-QAPCUYQASA-N 1 0 401.885 3.344 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc(OC)nc1Cl)C2 ZINC001164811737 720112189 /nfs/dbraw/zinc/11/21/89/720112189.db2.gz NBJURTGXLJSHMH-HNAYVOBHSA-N 1 0 415.912 3.473 20 0 HGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)OC)c(C)n1)CC2 ZINC001164716186 720113698 /nfs/dbraw/zinc/11/36/98/720113698.db2.gz JIZVIDWQQVFRLS-HXUWFJFHSA-N 1 0 424.545 3.079 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(OC)cc(OC)n1)CC2 ZINC001164717321 720117601 /nfs/dbraw/zinc/11/76/01/720117601.db2.gz NEAHREHKAWXBKM-IBGZPJMESA-N 1 0 412.534 3.001 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3cccc(OC)c31)C2 ZINC001164814378 720125142 /nfs/dbraw/zinc/12/51/42/720125142.db2.gz SDIDVPXIZIUKQK-ZHRRBRCNSA-N 1 0 416.953 3.477 20 0 HGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)c(F)cc1N)CC2 ZINC001164714776 720133182 /nfs/dbraw/zinc/13/31/82/720133182.db2.gz YVPRKRZMRVRWAO-MRXNPFEDSA-N 1 0 419.932 3.359 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3cc(OC)c(OC)cc3n1)C2 ZINC001164807005 720134249 /nfs/dbraw/zinc/13/42/49/720134249.db2.gz ADDVZXWIMCMOEU-DVECYGJZSA-N 1 0 411.546 3.437 20 0 HGADRO Cc1cccc2c(C)cc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)nc12 ZINC001164712376 720169160 /nfs/dbraw/zinc/16/91/60/720169160.db2.gz GBTBUVLDHHVSLR-NRFANRHFSA-N 1 0 420.561 3.196 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C(N)=S)c3ccsc31)C2 ZINC001164814642 720203965 /nfs/dbraw/zinc/20/39/65/720203965.db2.gz VPALYQLZGVNIOY-QVKFZJNVSA-N 1 0 416.616 3.115 20 0 HGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc3cc(Cl)ccc3n1)CCC2 ZINC001164814710 720225751 /nfs/dbraw/zinc/22/57/51/720225751.db2.gz WCYJWZNWLUAYAJ-UHFFFAOYSA-N 1 0 412.925 3.090 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2ccnc(Cl)c2)CC1 ZINC001164819263 720289602 /nfs/dbraw/zinc/28/96/02/720289602.db2.gz DENFWPPYJDCVJY-IAGOWNOFSA-N 1 0 412.912 3.191 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccnc(-c3ccccc3)n2)CC1 ZINC001164818956 720301353 /nfs/dbraw/zinc/30/13/53/720301353.db2.gz CCDHBXGTVQNGHK-LEWJYISDSA-N 1 0 405.546 3.055 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cnc3cc(Cl)ccc3n2)CC1 ZINC001164818920 720311053 /nfs/dbraw/zinc/31/10/53/720311053.db2.gz BRWLBWVUQQEMMU-PMACEKPBSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nccc(-c3ccc(F)cc3)n2)CC1 ZINC001164823203 720315556 /nfs/dbraw/zinc/31/55/56/720315556.db2.gz PLJYQTYZQSSYQP-FGZHOGPDSA-N 1 0 423.536 3.194 20 0 HGADRO CCc1c(Cl)nnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1CC ZINC001164832532 720320328 /nfs/dbraw/zinc/32/03/28/720320328.db2.gz UHXWFNLIEKDKMN-RBUKOAKNSA-N 1 0 420.001 3.166 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cccc(OC(C)(C)C)n2)CC1 ZINC001164830244 720323566 /nfs/dbraw/zinc/32/35/66/720323566.db2.gz PGEAZULPZFSCFU-RBUKOAKNSA-N 1 0 400.567 3.170 20 0 HGADRO COc1ccc2ccnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164828422 720330888 /nfs/dbraw/zinc/33/08/88/720330888.db2.gz JIVCAYYTUDJWNB-FGZHOGPDSA-N 1 0 408.546 3.155 20 0 HGADRO COc1ccc2ccnc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164828423 720331039 /nfs/dbraw/zinc/33/10/39/720331039.db2.gz JIVCAYYTUDJWNB-VXKWHMMOSA-N 1 0 408.546 3.155 20 0 HGADRO CC(C)COc1cccc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164823778 720332616 /nfs/dbraw/zinc/33/26/16/720332616.db2.gz BDNWIDKHQBANIR-WOJBJXKFSA-N 1 0 400.567 3.028 20 0 HGADRO Cc1c[nH]c2nc(Cl)cc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164827299 720335283 /nfs/dbraw/zinc/33/52/83/720335283.db2.gz HJYJGIQEXKWPSQ-DLBZAZTESA-N 1 0 415.969 3.436 20 0 HGADRO Cc1ccc(-c2ccc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)cc1 ZINC001164824279 720336478 /nfs/dbraw/zinc/33/64/78/720336478.db2.gz HUGSAROFTPXARR-PKTZIBPZSA-N 1 0 419.573 3.364 20 0 HGADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164722996 720336583 /nfs/dbraw/zinc/33/65/83/720336583.db2.gz GQIVMBLBTQYXEY-QZTJIDSGSA-N 1 0 400.910 3.468 20 0 HGADRO COc1cccc2c1ccnc2N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164831610 720343772 /nfs/dbraw/zinc/34/37/72/720343772.db2.gz YYVCSOKMHPNNTA-NHCUHLMSSA-N 1 0 408.546 3.155 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(-c3ccsc3)nn2)CC1 ZINC001164829707 720349657 /nfs/dbraw/zinc/34/96/57/720349657.db2.gz UBIKPRDZQVUSCD-WOJBJXKFSA-N 1 0 411.575 3.117 20 0 HGADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164731315 720395381 /nfs/dbraw/zinc/39/53/81/720395381.db2.gz ZCBVOBMYAUTLJQ-OALUTQOASA-N 1 0 413.953 3.465 20 0 HGADRO CC1CCN(C(=O)c2ccc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc2)CC1 ZINC001164734521 720436171 /nfs/dbraw/zinc/43/61/71/720436171.db2.gz SYKTXNDIVCFIFE-FGZHOGPDSA-N 1 0 405.546 3.202 20 0 HGADRO CCOC(=O)c1ccc(C)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164832843 720506015 /nfs/dbraw/zinc/50/60/15/720506015.db2.gz BNJNNOHRYYHSSS-SVFBPWRDSA-N 1 0 411.550 3.141 20 0 HGADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2nc(Cl)c3cc(F)ccc3n2)C1 ZINC001164727395 720514318 /nfs/dbraw/zinc/51/43/18/720514318.db2.gz FMGFXEZFJJFGCQ-LBPRGKRZSA-N 1 0 424.858 3.362 20 0 HGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3nccc(Cl)n3)CC[C@@H]21 ZINC001164840023 720515004 /nfs/dbraw/zinc/51/50/04/720515004.db2.gz VUMIWFLJVKDCFP-JYJNAYRXSA-N 1 0 410.900 3.249 20 0 HGADRO C[C@H]1CCCCN1c1nc2ccccc2nc1N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001164735170 720523989 /nfs/dbraw/zinc/52/39/89/720523989.db2.gz VQRACJBARCIEJY-OALUTQOASA-N 1 0 419.577 3.403 20 0 HGADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(C)c1 ZINC001164837111 720524649 /nfs/dbraw/zinc/52/46/49/720524649.db2.gz NQBIZDUDJYCQSX-NJDAHSKKSA-N 1 0 411.550 3.141 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccnc(-c4cccnc4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835442 720558262 /nfs/dbraw/zinc/55/82/62/720558262.db2.gz HJHFTHLXUSOCIG-QHAWAJNXSA-N 1 0 403.534 3.113 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4cc(Cl)cnc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836609 720558774 /nfs/dbraw/zinc/55/87/74/720558774.db2.gz KFFDUNBSINZJBT-VDZJLULYSA-N 1 0 411.941 3.253 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN(c3nccc(N4CCCCC4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837399 720568887 /nfs/dbraw/zinc/56/88/87/720568887.db2.gz MGVXQIBBNXAMLL-PCCBWWKXSA-N 1 0 409.582 3.041 20 0 HGADRO CCN(c1ccccc1)c1cc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)ncn1 ZINC001164736608 720587508 /nfs/dbraw/zinc/58/75/08/720587508.db2.gz OWANHGZOCBVWET-UHFFFAOYSA-N 1 0 417.561 3.490 20 0 HGADRO Cc1nc(-c2ccncc2)nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1C ZINC001164736550 720587661 /nfs/dbraw/zinc/58/76/61/720587661.db2.gz NGLXLURFBCLHJV-UHFFFAOYSA-N 1 0 403.534 3.010 20 0 HGADRO C=Cc1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1OC ZINC001164841185 720594732 /nfs/dbraw/zinc/59/47/32/720594732.db2.gz RRFXBGUNBFFPPG-LZLYRXPVSA-N 1 0 416.957 3.356 20 0 HGADRO COc1nnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c2ccccc21 ZINC001164839225 720601161 /nfs/dbraw/zinc/60/11/61/720601161.db2.gz MLGZURKGPKKVQF-WAOWUJCRSA-N 1 0 406.534 3.213 20 0 HGADRO Clc1ccc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164745072 720606870 /nfs/dbraw/zinc/60/68/70/720606870.db2.gz UHGKALSVHGOEKF-KBPBESRZSA-N 1 0 417.300 3.069 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(-c4ccncc4)ncn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841337 720613612 /nfs/dbraw/zinc/61/36/12/720613612.db2.gz RWQLLDIHLCMWLS-RZUBCFFCSA-N 1 0 403.534 3.113 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(-c4ccccn4)nn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841662 720621722 /nfs/dbraw/zinc/62/17/22/720621722.db2.gz UAZWXTWACXEGAK-CNNODRBYSA-N 1 0 403.534 3.113 20 0 HGADRO CSc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(SC)n1 ZINC001164839788 720644794 /nfs/dbraw/zinc/64/47/94/720644794.db2.gz KGUTXFWBLKKFLA-GVDBMIGSSA-N 1 0 418.636 3.495 20 0 HGADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(C(=O)NC3CC3)cn1)CC2 ZINC001164843402 720694830 /nfs/dbraw/zinc/69/48/30/720694830.db2.gz PPGMMMLKDLOOLH-JOCHJYFZSA-N 1 0 420.557 3.234 20 0 HGADRO CCNC(=O)c1cccnc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164839720 720700006 /nfs/dbraw/zinc/70/00/06/720700006.db2.gz BNMQVDNLAAAOHC-FQEVSTJZSA-N 1 0 408.546 3.091 20 0 HGADRO CCOC(=O)Cc1ccnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164836915 720728190 /nfs/dbraw/zinc/72/81/90/720728190.db2.gz BVKUADJDPCCYRP-JOCHJYFZSA-N 1 0 423.557 3.447 20 0 HGADRO CC(C)(C)c1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(C(C)(C)C)n1 ZINC001164737240 720755656 /nfs/dbraw/zinc/75/56/56/720755656.db2.gz BGXXWHTZJITIKF-IRXDYDNUSA-N 1 0 410.566 3.204 20 0 HGADRO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164745961 720800886 /nfs/dbraw/zinc/80/08/86/720800886.db2.gz KZVKQMIKWFTOPT-IMJJTQAJSA-N 1 0 402.930 3.084 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C(=O)N(Cc4ccncc4)C[C@@H]3C2)nc1 ZINC001164853574 720814066 /nfs/dbraw/zinc/81/40/66/720814066.db2.gz QOOGRTLWHGJLDY-FDFHNCONSA-N 1 0 405.546 3.118 20 0 HGADRO Clc1ccnc2cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncc12 ZINC001164742113 720825969 /nfs/dbraw/zinc/82/59/69/720825969.db2.gz PWMYTJAHZKZCJG-LLGFUMIMSA-N 1 0 423.952 3.254 20 0 HGADRO F[C@H](c1ccnc(Cl)c1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744621 720828027 /nfs/dbraw/zinc/82/80/27/720828027.db2.gz VPYSRWBOKQBMCC-GNBUJSLZSA-N 1 0 404.921 3.170 20 0 HGADRO Clc1ccc2cnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1 ZINC001164748759 720834103 /nfs/dbraw/zinc/83/41/03/720834103.db2.gz UVMFJQWIOLVYCN-YFVAEKQCSA-N 1 0 423.952 3.254 20 0 HGADRO Clc1ccnc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ccc12 ZINC001164742977 720835047 /nfs/dbraw/zinc/83/50/47/720835047.db2.gz HQQTUOALANNEQS-FUHIMQAGSA-N 1 0 423.952 3.254 20 0 HGADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)ncc3Cl)CC[C@@H]2C1 ZINC001164855168 720835940 /nfs/dbraw/zinc/83/59/40/720835940.db2.gz SVCHRITVJOKSDO-DOMZBBRYSA-N 1 0 410.292 3.107 20 0 HGADRO c1csc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)c1 ZINC001164751124 720836095 /nfs/dbraw/zinc/83/60/95/720836095.db2.gz YNPRRLRFRVPDRM-NLWGTHIKSA-N 1 0 421.574 3.176 20 0 HGADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)ncc3Cl)CC[C@H]2C1 ZINC001164855173 720836195 /nfs/dbraw/zinc/83/61/95/720836195.db2.gz SVCHRITVJOKSDO-SWLSCSKDSA-N 1 0 410.292 3.107 20 0 HGADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)cnc3Cl)CC[C@H]2C1 ZINC001164856524 720836809 /nfs/dbraw/zinc/83/68/09/720836809.db2.gz WSDOOMZNMKRDRA-SWLSCSKDSA-N 1 0 410.292 3.107 20 0 HGADRO Fc1cccc2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc12 ZINC001164742392 720841881 /nfs/dbraw/zinc/84/18/81/720841881.db2.gz GEODDBNWWGOUSX-SVFBPWRDSA-N 1 0 406.509 3.345 20 0 HGADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c(Cl)cccc43)CC[C@@H]2C1 ZINC001164851453 720850606 /nfs/dbraw/zinc/85/06/06/720850606.db2.gz HGHOSPPWIZKBOH-CZUORRHYSA-N 1 0 411.333 3.110 20 0 HGADRO Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C(C)(C)C)n1 ZINC001164744579 720850983 /nfs/dbraw/zinc/85/09/83/720850983.db2.gz KSJJDSIOIPMSOR-SLFFLAALSA-N 1 0 409.582 3.053 20 0 HGADRO Cc1cc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2cc1C ZINC001164751123 720856192 /nfs/dbraw/zinc/85/61/92/720856192.db2.gz QCCOEQUCZKRYGY-TXTKFYIRSA-N 1 0 417.561 3.218 20 0 HGADRO c1ncn(C[C@@H]2C[C@H]3CN(c4nccc5c6c([nH]c54)CCC6)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164753873 720857728 /nfs/dbraw/zinc/85/77/28/720857728.db2.gz YUWJZZIGOPYDQE-NPPFBWRTSA-N 1 0 417.561 3.023 20 0 HGADRO Cc1cc(C)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164748449 720869836 /nfs/dbraw/zinc/86/98/36/720869836.db2.gz DXOJWWPVYVEGNW-LADGPHEKSA-N 1 0 407.562 3.244 20 0 HGADRO CCc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164750881 720871075 /nfs/dbraw/zinc/87/10/75/720871075.db2.gz KDYOACUUCDMTPN-ISKFKSNPSA-N 1 0 407.562 3.189 20 0 HGADRO Clc1cncc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164747942 720871977 /nfs/dbraw/zinc/87/19/77/720871977.db2.gz CQPIJNXMTSQWRW-DENIHFKCSA-N 1 0 413.953 3.280 20 0 HGADRO CCOc1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164750520 720873078 /nfs/dbraw/zinc/87/30/78/720873078.db2.gz JFRNTRAUSXXHJM-ZJSXRUAMSA-N 1 0 423.561 3.025 20 0 HGADRO Cc1ncc(F)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164752913 720879148 /nfs/dbraw/zinc/87/91/48/720879148.db2.gz NLELSHWUZNHXPI-OFNKIYASSA-N 1 0 411.525 3.074 20 0 HGADRO Cc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1F ZINC001164755063 720886701 /nfs/dbraw/zinc/88/67/01/720886701.db2.gz KMRNXVYJBRGGFU-REWPJTCUSA-N 1 0 411.525 3.074 20 0 HGADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)Sc3ccc(Cl)nc3)CC[C@@H]2C1 ZINC001164860007 720890068 /nfs/dbraw/zinc/89/00/68/720890068.db2.gz NVAZILHLZPEFSU-HIFRSBDPSA-N 1 0 407.914 3.047 20 0 HGADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)Sc3ccc(Cl)nc3)CC[C@@H]2C1 ZINC001164860008 720890390 /nfs/dbraw/zinc/89/03/90/720890390.db2.gz NVAZILHLZPEFSU-UKRRQHHQSA-N 1 0 407.914 3.047 20 0 HGADRO COCC[N@@H+]1CCO[C@@H]2CN(c3c(Cl)ccc4c(Cl)ncnc43)CC[C@@H]2C1 ZINC001164863848 720891067 /nfs/dbraw/zinc/89/10/67/720891067.db2.gz UUQWCKLHGONBPQ-CZUORRHYSA-N 1 0 411.333 3.110 20 0 HGADRO CCc1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164758435 720897985 /nfs/dbraw/zinc/89/79/85/720897985.db2.gz YCEWLAWMHUCHBN-QPPBQGQZSA-N 1 0 407.562 3.189 20 0 HGADRO COC(=O)c1ccc2nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)ncc2c1 ZINC001164853953 720935089 /nfs/dbraw/zinc/93/50/89/720935089.db2.gz CNMROEMXVWAGSL-OAHLLOKOSA-N 1 0 408.506 3.034 20 0 HGADRO COC(=O)c1ncnc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)c1OC ZINC001164759520 721047613 /nfs/dbraw/zinc/04/76/13/721047613.db2.gz NWWPAMJTDXOXTP-UHFFFAOYSA-N 1 0 424.545 3.463 20 0 HGADRO COc1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cc(Cl)n1 ZINC001164867790 721053932 /nfs/dbraw/zinc/05/39/32/721053932.db2.gz KLJXYCWRMSQCDR-SJORKVTESA-N 1 0 424.879 3.163 20 0 HGADRO FC(F)(Oc1cccnc1Cl)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867954 721064914 /nfs/dbraw/zinc/06/49/14/721064914.db2.gz LJIGDVYBRKNOMS-CVEARBPZSA-N 1 0 410.852 3.034 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(-c5ccc(Cl)cc5)nn4)C[C@H]3C2)cn1 ZINC001164766627 721087282 /nfs/dbraw/zinc/08/72/82/721087282.db2.gz KYSNERGQJCIDDL-RTBURBONSA-N 1 0 408.937 3.489 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)nc5cccc(F)c54)C[C@H]3C2)cn1 ZINC001164773929 721108729 /nfs/dbraw/zinc/10/87/29/721108729.db2.gz ZHLBBWOWMBDRJD-LSDHHAIUSA-N 1 0 400.889 3.114 20 0 HGADRO CCOC(=O)c1cc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc2ccccc21 ZINC001164769014 721125853 /nfs/dbraw/zinc/12/58/53/721125853.db2.gz OTYGXKRIBRHWFM-RTBURBONSA-N 1 0 419.529 3.103 20 0 HGADRO CC(C)(C)c1cc(Cl)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164872615 721128072 /nfs/dbraw/zinc/12/80/72/721128072.db2.gz HXWHLZCVOXFKNA-DLBZAZTESA-N 1 0 401.942 3.302 20 0 HGADRO CC(C)(C)c1cc(Cl)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164872616 721128666 /nfs/dbraw/zinc/12/86/66/721128666.db2.gz HXWHLZCVOXFKNA-IAGOWNOFSA-N 1 0 401.942 3.302 20 0 HGADRO Cc1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)cc1 ZINC001164880445 721137945 /nfs/dbraw/zinc/13/79/45/721137945.db2.gz WRVPPKWPIFZYTK-YADHBBJMSA-N 1 0 401.514 3.327 20 0 HGADRO c1cncc(CO[C@H]2C[C@@H]3CN(c4ncnc5sc6c(c54)CCC6)CC[N@@H+]3C2)c1 ZINC001164876443 721139628 /nfs/dbraw/zinc/13/96/28/721139628.db2.gz MLDVJRXKMUXIGJ-SJORKVTESA-N 1 0 407.543 3.055 20 0 HGADRO Cc1cccc(-c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)c1 ZINC001164878970 721146192 /nfs/dbraw/zinc/14/61/92/721146192.db2.gz RDGAAKFPKNMLNH-VXKWHMMOSA-N 1 0 401.514 3.327 20 0 HGADRO COc1ccccc1-c1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nn1 ZINC001164872509 721146350 /nfs/dbraw/zinc/14/63/50/721146350.db2.gz HJVWIQARMKVMHK-UXHICEINSA-N 1 0 417.513 3.027 20 0 HGADRO Fc1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)cc1 ZINC001164874573 721156383 /nfs/dbraw/zinc/15/63/83/721156383.db2.gz KSTDSHGXTKLHFY-RTWAWAEBSA-N 1 0 405.477 3.157 20 0 HGADRO Fc1ccc(-c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)cc1 ZINC001164874572 721157811 /nfs/dbraw/zinc/15/78/11/721157811.db2.gz KSTDSHGXTKLHFY-NHCUHLMSSA-N 1 0 405.477 3.157 20 0 HGADRO Cc1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2cccs2)n1 ZINC001164872228 721161458 /nfs/dbraw/zinc/16/14/58/721161458.db2.gz HAFILQZRSQZXDM-MOPGFXCFSA-N 1 0 407.543 3.388 20 0 HGADRO Fc1ccccc1-c1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nn1 ZINC001164877633 721163612 /nfs/dbraw/zinc/16/36/12/721163612.db2.gz PJPGKZHWGYNQBH-MOPGFXCFSA-N 1 0 405.477 3.157 20 0 HGADRO Cc1nc(C)c(-c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)s1 ZINC001164873550 721172799 /nfs/dbraw/zinc/17/27/99/721172799.db2.gz IOYDERMBNDBGML-RBUKOAKNSA-N 1 0 422.558 3.092 20 0 HGADRO CSc1ccc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164878640 721180518 /nfs/dbraw/zinc/18/05/18/721180518.db2.gz QTWPWRHSLOSFGB-ROUUACIJSA-N 1 0 407.543 3.226 20 0 HGADRO CC(C)n1ccc2c1nc(Cl)nc2N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164771440 721184902 /nfs/dbraw/zinc/18/49/02/721184902.db2.gz PVBLRPXTMJMCMD-IRXDYDNUSA-N 1 0 413.957 3.357 20 0 HGADRO CCc1nc2sc3c(c2c(N2C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C2)n1)CCC3 ZINC001164771829 721195553 /nfs/dbraw/zinc/19/55/53/721195553.db2.gz RBLDZVNIWIFQHO-SJORKVTESA-N 1 0 422.602 3.434 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(-c5c(F)cccc5F)nn4)C[C@H]3C2)cn1 ZINC001164771883 721215755 /nfs/dbraw/zinc/21/57/55/721215755.db2.gz RRZFJMUFEABVPG-IAGOWNOFSA-N 1 0 410.472 3.114 20 0 HGADRO CCOc1ccc(-c2ccc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nn2)cc1 ZINC001164770101 721217245 /nfs/dbraw/zinc/21/72/45/721217245.db2.gz NBCPWSSIWJCMJX-NHCUHLMSSA-N 1 0 418.545 3.234 20 0 HGADRO CCN1C(=O)[C@]2(CC[C@@H]3CN(c4ccc([C@H]5CCCC[N@@H+]5CC)cn4)C[C@H]32)N=C1C ZINC001164876234 721234469 /nfs/dbraw/zinc/23/44/69/721234469.db2.gz YWUFKWXJEXYYMQ-GECPAALWSA-N 1 0 409.578 3.494 20 0 HGADRO CCN1CC[C@]2(CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@@H]2C)C1=O ZINC001164777170 721323639 /nfs/dbraw/zinc/32/36/39/721323639.db2.gz IVIJFNNYCIGNMY-VBKZILBWSA-N 1 0 424.923 3.351 20 0 HGADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C)nc4ccoc43)C2)C1 ZINC001164778070 721332203 /nfs/dbraw/zinc/33/22/03/721332203.db2.gz UGCNCYIRRXZIBJ-QFIPXVFZSA-N 1 0 411.506 3.255 20 0 HGADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nccc4ncccc43)C2)C1 ZINC001164778404 721338038 /nfs/dbraw/zinc/33/80/38/721338038.db2.gz VLWDZRVMNVYJJX-HSZRJFAPSA-N 1 0 407.518 3.354 20 0 HGADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4ncccc4n3)C2)C1 ZINC001164779047 721347557 /nfs/dbraw/zinc/34/75/57/721347557.db2.gz PNYFAVGLLAHRNR-QHCPKHFHSA-N 1 0 407.518 3.354 20 0 HGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cccc(Cl)n4)C3)O2)CC1 ZINC001164894578 721382463 /nfs/dbraw/zinc/38/24/63/721382463.db2.gz ZDFRDEBACHWHNJ-VQIMIIECSA-N 1 0 414.928 3.045 20 0 HGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncnc5ccc(Cl)cc54)C3)O2)CC1 ZINC001164892260 721392732 /nfs/dbraw/zinc/39/27/32/721392732.db2.gz SMSKQCDKAVEKKO-GCJKJVERSA-N 1 0 415.969 3.049 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc5c(Cl)ccnc5n4)C3)O2)CC1 ZINC001164889518 721419634 /nfs/dbraw/zinc/41/96/34/721419634.db2.gz RJEZUUNNRWPRSH-HTAPYJJXSA-N 1 0 415.969 3.049 20 0 HGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)cnc1Cl)CC2 ZINC001164783921 721460709 /nfs/dbraw/zinc/46/07/09/721460709.db2.gz GJMWAZZLHTYQHC-SFHVURJKSA-N 1 0 408.974 3.172 20 0 HGADRO C[N@H+](Cc1ccc(N2Cc3nccn3C[C@H](COCc3ccccn3)C2)nc1)C1CC1 ZINC001164888974 721470523 /nfs/dbraw/zinc/47/05/23/721470523.db2.gz GTARGSWODHANFV-FQEVSTJZSA-N 1 0 418.545 3.121 20 0 HGADRO COC(=O)c1c[n-]c2nc[nH+]c(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c12 ZINC001164793000 721497337 /nfs/dbraw/zinc/49/73/37/721497337.db2.gz YFIQILOVLIIPTR-UHFFFAOYSA-N 1 0 420.517 3.021 20 0 HGADRO CNC(=O)c1nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)ccc1Cl ZINC001164792562 721497462 /nfs/dbraw/zinc/49/74/62/721497462.db2.gz QVXLJBUOOJQXGA-UHFFFAOYSA-N 1 0 413.953 3.371 20 0 HGADRO COc1cnc2c(c1)ncnc2N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795759 721498520 /nfs/dbraw/zinc/49/85/20/721498520.db2.gz LTMKHHCVMULBGS-UHFFFAOYSA-N 1 0 404.518 3.309 20 0 HGADRO COC(=O)c1ccc(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164901711 721510403 /nfs/dbraw/zinc/51/04/03/721510403.db2.gz YDTBOJGHHCMLOC-HOCLYGCPSA-N 1 0 405.857 3.003 20 0 HGADRO CCOC(=O)/C=C\c1cccnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164902232 721513569 /nfs/dbraw/zinc/51/35/69/721513569.db2.gz ZZNUCMNUTZVNKX-BVUSGXHMSA-N 1 0 411.477 3.139 20 0 HGADRO COC(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164900663 721514138 /nfs/dbraw/zinc/51/41/38/721514138.db2.gz SORNLRDCRBXZTC-WBVHZDCISA-N 1 0 405.857 3.003 20 0 HGADRO COC(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164900662 721514448 /nfs/dbraw/zinc/51/44/48/721514448.db2.gz SORNLRDCRBXZTC-RDJZCZTQSA-N 1 0 405.857 3.003 20 0 HGADRO Cc1ccc2c(C)cc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)nc2c1C ZINC001164795337 721519628 /nfs/dbraw/zinc/51/96/28/721519628.db2.gz NCJKKGXDJAJUDB-UHFFFAOYSA-N 1 0 404.562 3.124 20 0 HGADRO CCOC(=O)c1nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1Cl ZINC001164902980 721547711 /nfs/dbraw/zinc/54/77/11/721547711.db2.gz BPDYEWRHLJPOAB-NVXWUHKLSA-N 1 0 419.884 3.393 20 0 HGADRO CCOC(=O)c1cnc2cc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)[nH]cc1-2 ZINC001164908709 721550890 /nfs/dbraw/zinc/55/08/90/721550890.db2.gz QGZZADVWTBGHRX-AEFFLSMTSA-N 1 0 424.476 3.221 20 0 HGADRO CCCSc1ncnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1OC ZINC001164904210 721566378 /nfs/dbraw/zinc/56/63/78/721566378.db2.gz DJIZPNFNEZLRPQ-FUHWJXTLSA-N 1 0 418.538 3.468 20 0 HGADRO CSc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(SC)n1 ZINC001164907228 721566447 /nfs/dbraw/zinc/56/64/47/721566447.db2.gz MWLAYWIKSNVDQC-ZBFHGGJFSA-N 1 0 406.552 3.401 20 0 HGADRO Cc1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1NC1CC1 ZINC001164906309 721582594 /nfs/dbraw/zinc/58/25/94/721582594.db2.gz ZXDZWESYJZVKLI-NRFANRHFSA-N 1 0 414.504 3.492 20 0 HGADRO CCN(C)c1ccnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164903020 721582975 /nfs/dbraw/zinc/58/29/75/721582975.db2.gz KCXUCWILZLLYFU-HXUWFJFHSA-N 1 0 402.493 3.065 20 0 HGADRO Cc1nc(-c2ccncc2)cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164810211 721583131 /nfs/dbraw/zinc/58/31/31/721583131.db2.gz VDTUXYSMILZREX-FIXSFTCYSA-N 1 0 416.529 3.110 20 0 HGADRO COc1cnc(Cl)nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906656 721584623 /nfs/dbraw/zinc/58/46/23/721584623.db2.gz OBAKEPBJKOYYJR-GOSISDBHSA-N 1 0 409.868 3.271 20 0 HGADRO Cc1cncc(COC[C@@]23CCC[C@H]2CN(c2cccc(N4CC[NH+](C)CC4)n2)C3)c1 ZINC001164797834 721601346 /nfs/dbraw/zinc/60/13/46/721601346.db2.gz CKHOXLLUJGLCDU-DHLKQENFSA-N 1 0 421.589 3.360 20 0 HGADRO CN(C)c1cc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906464 721708810 /nfs/dbraw/zinc/70/88/10/721708810.db2.gz MBWNJLYKOLLOJQ-LJQANCHMSA-N 1 0 422.911 3.329 20 0 HGADRO CC(C)Oc1cncc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164912204 721725175 /nfs/dbraw/zinc/72/51/75/721725175.db2.gz MVZPIWOMHZVQFO-FQEVSTJZSA-N 1 0 403.477 3.397 20 0 HGADRO FC1(F)CCN(c2cc(-c3nnco3)ccn2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164913435 721729078 /nfs/dbraw/zinc/72/90/78/721729078.db2.gz VUFQAXWDDVRTDX-FQEVSTJZSA-N 1 0 412.444 3.264 20 0 HGADRO Cc1cccc2nc(Cl)nc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c12 ZINC001165009907 721742014 /nfs/dbraw/zinc/74/20/14/721742014.db2.gz JQZXCVXHWZFXKY-UHFFFAOYSA-N 1 0 401.942 3.115 20 0 HGADRO Cc1ccc(C)c(-c2ccc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)nn2)c1 ZINC001165011053 721746093 /nfs/dbraw/zinc/74/60/93/721746093.db2.gz TZRURMHVAJTVIZ-UHFFFAOYSA-N 1 0 407.562 3.283 20 0 HGADRO CC(C)OC(=O)c1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nn1 ZINC001165027339 721805437 /nfs/dbraw/zinc/80/54/37/721805437.db2.gz VNRKOXDODYOKJX-DSKINZAPSA-N 1 0 409.534 3.174 20 0 HGADRO Cc1nc2nc(Cl)nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2[nH]1 ZINC001165021342 721807616 /nfs/dbraw/zinc/80/76/16/721807616.db2.gz GKOVXZRBGDLQJO-USXIJHARSA-N 1 0 411.941 3.447 20 0 HGADRO Cc1nc2nc(Cl)nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2[nH]1 ZINC001165021345 721807671 /nfs/dbraw/zinc/80/76/71/721807671.db2.gz GKOVXZRBGDLQJO-XIRDDKMYSA-N 1 0 411.941 3.447 20 0 HGADRO COC(=O)c1cc(F)c(C)nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165023586 721812326 /nfs/dbraw/zinc/81/23/26/721812326.db2.gz HYLJCIMQTFGXQR-SCWSEQNSSA-N 1 0 412.509 3.448 20 0 HGADRO CCOC(=O)Cc1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1 ZINC001165026242 721812888 /nfs/dbraw/zinc/81/28/88/721812888.db2.gz POVUMDWPJYGLKG-NNWRFLSQSA-N 1 0 408.546 3.319 20 0 HGADRO COC(=O)c1nc(Cl)cnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165028983 721813515 /nfs/dbraw/zinc/81/35/15/721813515.db2.gz YJSXHGHXPIKXRN-UAGQMJEPSA-N 1 0 415.925 3.049 20 0 HGADRO COC(=O)c1nc(Cl)cnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165028986 721813753 /nfs/dbraw/zinc/81/37/53/721813753.db2.gz YJSXHGHXPIKXRN-XIRDDKMYSA-N 1 0 415.925 3.049 20 0 HGADRO CN(C)c1cc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165026861 721814555 /nfs/dbraw/zinc/81/45/55/721814555.db2.gz RUMHQRYCZMWCHB-JQHSSLGASA-N 1 0 400.958 3.328 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(C(N)=O)cc4ccccc43)C[C@@H]21 ZINC001165030544 721825937 /nfs/dbraw/zinc/82/59/37/721825937.db2.gz ZSKMLURMGQOBJV-AVCGJXAMSA-N 1 0 415.541 3.466 20 0 HGADRO COC(=O)c1cc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)ncc1F ZINC001165019309 721839778 /nfs/dbraw/zinc/83/97/78/721839778.db2.gz CQNOPQRRVBDDKI-UHFFFAOYSA-N 1 0 417.481 3.125 20 0 HGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)cc(N(C)C)n2)CC1 ZINC001165022653 721841631 /nfs/dbraw/zinc/84/16/31/721841631.db2.gz RAGZLZTYDZPOAZ-UHFFFAOYSA-N 1 0 419.957 3.314 20 0 HGADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164936281 721878455 /nfs/dbraw/zinc/87/84/55/721878455.db2.gz ZDPGHOKKDAQHLU-BVYCBKJFSA-N 1 0 408.594 3.223 20 0 HGADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccc(-c2ccc(N3CCCCC3)cc2)nn1 ZINC001164935139 721885868 /nfs/dbraw/zinc/88/58/68/721885868.db2.gz WNCABUMVKLEYPC-RPWUZVMVSA-N 1 0 420.605 3.349 20 0 HGADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ncnc2cc(OCc3ccccc3)ccc21 ZINC001164934398 721887974 /nfs/dbraw/zinc/88/79/74/721887974.db2.gz RILKHGWLICZWEB-DNQXCXABSA-N 1 0 417.557 3.423 20 0 HGADRO C[NH+](C)Cc1ccnc(N2CC[C@@]3(C2)COCc2cnc(-c4ccccc4)nc23)c1 ZINC001164927672 721899079 /nfs/dbraw/zinc/89/90/79/721899079.db2.gz KHFXTRRTJARHMP-XMMPIXPASA-N 1 0 401.514 3.279 20 0 HGADRO c1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(c2ccc(-c4ccc5c(c4)OCCO5)nn2)C3)co1 ZINC001164931965 721901385 /nfs/dbraw/zinc/90/13/85/721901385.db2.gz YGKZJEYOAWJHGP-MJGOQNOKSA-N 1 0 404.470 3.219 20 0 HGADRO COC(=O)c1ccc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc1C ZINC001164939000 721925415 /nfs/dbraw/zinc/92/54/15/721925415.db2.gz GLRYJGCPGBRAAN-UHFFFAOYSA-N 1 0 409.530 3.356 20 0 HGADRO COc1cc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc(SC)n1 ZINC001164939379 721925971 /nfs/dbraw/zinc/92/59/71/721925971.db2.gz KUEGOADKXNGBBI-UHFFFAOYSA-N 1 0 414.575 3.387 20 0 HGADRO CCOC(=O)c1c(C)ncnc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939338 721926834 /nfs/dbraw/zinc/92/68/34/721926834.db2.gz JDZLDIKYCYQPSH-UHFFFAOYSA-N 1 0 424.545 3.142 20 0 HGADRO CCOC(=O)[C@H]1CCCN(c2ccc(N3CCCC[C@@H]3CC[NH+]3CCCC3)nn2)C1 ZINC001165047394 721975716 /nfs/dbraw/zinc/97/57/16/721975716.db2.gz GBCHIFBQYLWTJB-VQTJNVASSA-N 1 0 415.582 3.101 20 0 HGADRO Cc1ccc(Cl)c(O[C@@H]2CCCN(c3ccc(N4CC[NH+](C)CC4)nn3)C2)c1 ZINC001165050747 721979750 /nfs/dbraw/zinc/97/97/50/721979750.db2.gz WLWRIXLMGDZVSH-QGZVFWFLSA-N 1 0 401.942 3.238 20 0 HGADRO CC(C)(c1ccnc(Cl)c1)[NH+]1CCC2(CC1)CN(Cc1cccnc1)C(=O)CO2 ZINC001164949833 722003093 /nfs/dbraw/zinc/00/30/93/722003093.db2.gz AJKCMZNTYMURLD-UHFFFAOYSA-N 1 0 414.937 3.259 20 0 HGADRO Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(c3cccc(N4CC[NH+](C)CC4)n3)C[C@H]21 ZINC001164952270 722004486 /nfs/dbraw/zinc/00/44/86/722004486.db2.gz MBNNJOPCEHFNEX-PMACEKPBSA-N 1 0 414.557 3.010 20 0 HGADRO CC[NH+](CC)C1CCN(c2ccc(S(=O)(=O)Nc3cc(F)ccc3F)cn2)CC1 ZINC001165054679 722006509 /nfs/dbraw/zinc/00/65/09/722006509.db2.gz XKFIWZYEFBUSFG-UHFFFAOYSA-N 1 0 424.517 3.471 20 0 HGADRO COc1cc2nc(Cl)nc(N3CC[NH+](CCc4ccccn4)CC3)c2cc1OC ZINC001165053574 722011324 /nfs/dbraw/zinc/01/13/24/722011324.db2.gz KFGNEGCABZHNFN-UHFFFAOYSA-N 1 0 413.909 3.060 20 0 HGADRO Clc1nc2ccoc2c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164958808 722053740 /nfs/dbraw/zinc/05/37/40/722053740.db2.gz GQIVJRUVHKNHKZ-UHFFFAOYSA-N 1 0 413.909 3.390 20 0 HGADRO COc1nc2ccccc2nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164958066 722054012 /nfs/dbraw/zinc/05/40/12/722054012.db2.gz BITJPDCBBUZQLU-UHFFFAOYSA-N 1 0 419.529 3.152 20 0 HGADRO CC(C)Sc1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nn1 ZINC001164962208 722060954 /nfs/dbraw/zinc/06/09/54/722060954.db2.gz PYMYCNMBANGHEL-UHFFFAOYSA-N 1 0 413.591 3.491 20 0 HGADRO Fc1cccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1 ZINC001164967921 722077544 /nfs/dbraw/zinc/07/75/44/722077544.db2.gz MUPPSMLJOOIRQM-CALCHBBNSA-N 1 0 404.873 3.361 20 0 HGADRO CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(c3ccc(C[N@H+](C)C4CC4)cn3)C[C@H]21 ZINC001164985858 722098189 /nfs/dbraw/zinc/09/81/89/722098189.db2.gz XFFVRTQIIRDTCB-QZNHQXDQSA-N 1 0 405.546 3.222 20 0 HGADRO COc1ccc2c(ccnc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164979917 722107111 /nfs/dbraw/zinc/10/71/11/722107111.db2.gz IIQFCPSQKZJBAM-REWPJTCUSA-N 1 0 404.514 3.366 20 0 HGADRO Clc1ccc2ncc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2c1 ZINC001164981085 722113105 /nfs/dbraw/zinc/11/31/05/722113105.db2.gz SKLVFPHLHRQPSB-UWJYYQICSA-N 1 0 409.921 3.406 20 0 HGADRO Fc1ccc(-c2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164971889 722113627 /nfs/dbraw/zinc/11/36/27/722113627.db2.gz DAWSLIUCNQDMNH-REWPJTCUSA-N 1 0 419.504 3.405 20 0 HGADRO c1ccc2c(c1)[nH]c1ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164976415 722123357 /nfs/dbraw/zinc/12/33/57/722123357.db2.gz LNTWVRFKXNLGLE-WIYYLYMNSA-N 1 0 414.513 3.233 20 0 HGADRO CCOc1ccc(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981169 722125156 /nfs/dbraw/zinc/12/51/56/722125156.db2.gz UADDAZHNWPJOSI-IEBWSBKVSA-N 1 0 402.926 3.256 20 0 HGADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ccc(-c5ccncc5)cn4)CC[C@H]3C2)c1 ZINC001164985476 722138363 /nfs/dbraw/zinc/13/83/63/722138363.db2.gz ZPGZUAMJQJUGRO-XZOQPEGZSA-N 1 0 401.514 3.266 20 0 HGADRO Cc1cc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)nn1 ZINC001164979697 722143266 /nfs/dbraw/zinc/14/32/66/722143266.db2.gz LTJUJBGYAWGQLX-FUHWJXTLSA-N 1 0 423.895 3.106 20 0 HGADRO CC(C)c1c(Cl)ncnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973803 722153535 /nfs/dbraw/zinc/15/35/35/722153535.db2.gz LXYYDISJJXIYRI-ZWKOTPCHSA-N 1 0 401.942 3.376 20 0 HGADRO CC(C)c1c(Cl)ncnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973355 722153657 /nfs/dbraw/zinc/15/36/57/722153657.db2.gz LXYYDISJJXIYRI-QZTJIDSGSA-N 1 0 401.942 3.376 20 0 HGADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4nccc5c6c([nH]c54)CCC6)CC[C@H]3C2)c1 ZINC001164971200 722153999 /nfs/dbraw/zinc/15/39/99/722153999.db2.gz BCMJXPGGJVTUHP-PGRDOPGGSA-N 1 0 403.530 3.174 20 0 HGADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1ccnc(Cl)c1F)CCC2 ZINC001164999820 722250772 /nfs/dbraw/zinc/25/07/72/722250772.db2.gz GMKHTCKOSFKBTO-UHFFFAOYSA-N 1 0 417.863 3.104 20 0 HGADRO CSc1nc2ccccc2c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165001630 722254123 /nfs/dbraw/zinc/25/41/23/722254123.db2.gz DKELZTKGBAMPCV-UHFFFAOYSA-N 1 0 412.563 3.037 20 0 HGADRO Cc1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc(-c2cccs2)n1 ZINC001165005015 722257039 /nfs/dbraw/zinc/25/70/39/722257039.db2.gz ZVOJYQQWKXTFSS-UHFFFAOYSA-N 1 0 412.563 3.199 20 0 HGADRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000473996374 1126094720 /nfs/dbraw/zinc/09/47/20/1126094720.db2.gz PYHCEKKLWUBEFW-HXUWFJFHSA-N 1 0 419.363 3.287 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nc(C)c(Br)s2)cc1OC ZINC001176598145 1126150384 /nfs/dbraw/zinc/15/03/84/1126150384.db2.gz JRDRNDKXFOWQQI-QGZVFWFLSA-N 1 0 415.353 3.315 20 0 HGADRO COc1cc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)cc2c1OCCO2 ZINC001203281874 1126157803 /nfs/dbraw/zinc/15/78/03/1126157803.db2.gz AXPYFNTZZXZMKC-HXUWFJFHSA-N 1 0 422.319 3.312 20 0 HGADRO COC(=O)c1ccc(C[NH2+][C@](C)(CO)Cc2ccc(OC)c(OC)c2)cc1Cl ZINC001308118090 1126163900 /nfs/dbraw/zinc/16/39/00/1126163900.db2.gz QOODWAHELFDDNN-NRFANRHFSA-N 1 0 407.894 3.227 20 0 HGADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cnc(CCc3ccccc3)s2)[C@@H](O)C1 ZINC001308496153 1126167567 /nfs/dbraw/zinc/16/75/67/1126167567.db2.gz QIPRCIABKJTMJS-OALUTQOASA-N 1 0 417.575 3.388 20 0 HGADRO COc1c(C)cnc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c1C ZINC001460425733 1126191390 /nfs/dbraw/zinc/19/13/90/1126191390.db2.gz YSQJGAQCLAIEED-HXUWFJFHSA-N 1 0 405.336 3.479 20 0 HGADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nnc(C2CC2)n1C1CC1 ZINC001473840224 1126200537 /nfs/dbraw/zinc/20/05/37/1126200537.db2.gz SXPODRSQAWJULA-IBGZPJMESA-N 1 0 405.340 3.336 20 0 HGADRO OC[C@@]1([NH2+]Cc2ccc(-n3cncn3)cc2)CCc2cc(Br)ccc2C1 ZINC001560531915 1126211672 /nfs/dbraw/zinc/21/16/72/1126211672.db2.gz BRBTVWYENXRFGC-HXUWFJFHSA-N 1 0 413.319 3.039 20 0 HGADRO OC[C@@]1([NH2+]Cc2cc(-c3ccccn3)n[nH]2)CCc2cc(Br)ccc2C1 ZINC001560532115 1126211788 /nfs/dbraw/zinc/21/17/88/1126211788.db2.gz FCBVEARJYLBJNM-HXUWFJFHSA-N 1 0 413.319 3.244 20 0 HGADRO COc1cc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)nc(Cl)n1 ZINC001164387378 718815746 /nfs/dbraw/zinc/81/57/46/718815746.db2.gz GCWHIZWUTWEUFM-NSHDSACASA-N 1 0 400.779 3.194 20 0 HGADRO OC[C@@]12C[NH2+]C[C@@H]1CN(C(F)(F)c1nc3cc(Cl)c(Cl)cc3nc1Cl)C2 ZINC001164403793 718852090 /nfs/dbraw/zinc/85/20/90/718852090.db2.gz IRJDIBFNCBJCTQ-GLEZIHRCSA-N 1 0 423.678 3.153 20 0 HGADRO Cc1ccc(-c2cc(C(F)(F)N3CCO[C@H]4C[NH2+]CC[C@H]4C3)c(Cl)nn2)cc1 ZINC001164408328 718865609 /nfs/dbraw/zinc/86/56/09/718865609.db2.gz LNUMWKWMWCIDFE-YJBOKZPZSA-N 1 0 408.880 3.465 20 0 HGADRO FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)COc1ccc(Cl)nn1 ZINC001164413785 718880917 /nfs/dbraw/zinc/88/09/17/718880917.db2.gz NCIUAAXIVXLCSE-JTQLQIEISA-N 1 0 400.779 3.251 20 0 HGADRO CN(C)c1cc(C(F)(F)N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc(Cl)n1 ZINC001164413315 718881816 /nfs/dbraw/zinc/88/18/16/718881816.db2.gz HNJSJIWUVHFCBE-NSHDSACASA-N 1 0 413.822 3.394 20 0 HGADRO c1sc2nc(CN3CCOCC3)nc(N3CCC[C@@H]4[NH2+]C[C@@H]43)c2c1-c1ccccc1 ZINC001164449502 718999858 /nfs/dbraw/zinc/99/98/58/718999858.db2.gz OLUMWMSMDJGGKN-OALUTQOASA-N 1 0 421.570 3.131 20 0 HGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc(-c2cc(Cl)ncn2)cc1 ZINC001164620378 719013829 /nfs/dbraw/zinc/01/38/29/719013829.db2.gz YQYNTKYYISGUKN-JQFCIGGWSA-N 1 0 422.863 3.072 20 0 HGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc(-c2ccc(Cl)nn2)cc1 ZINC001164619645 719018353 /nfs/dbraw/zinc/01/83/53/719018353.db2.gz WMEDQTWJQYWVRE-XOKHGSTOSA-N 1 0 422.863 3.072 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C(C)(C)C)nc4[nH]ccc43)CC2)CC1 ZINC001164618436 719030489 /nfs/dbraw/zinc/03/04/89/719030489.db2.gz WTVVLYGSPAYUFL-UHFFFAOYSA-N 1 0 413.566 3.499 20 0 HGADRO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@H]3c3ccccc3)C2)n1 ZINC001164618301 719044621 /nfs/dbraw/zinc/04/46/21/719044621.db2.gz ALGMYJUDZWRNBP-HNAYVOBHSA-N 1 0 407.896 3.324 20 0 HGADRO FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164626087 719048287 /nfs/dbraw/zinc/04/82/87/719048287.db2.gz QNXJIYSPLBRGSB-ACJLOTCBSA-N 1 0 404.852 3.086 20 0 HGADRO CN(C)c1cc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@H]3c3ccccc3)C2)nc(Cl)n1 ZINC001164628728 719049111 /nfs/dbraw/zinc/04/91/11/719049111.db2.gz ZMUSTPVTYOOQDG-KXBFYZLASA-N 1 0 407.896 3.324 20 0 HGADRO CCOC(=O)c1c[nH]c2ncnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c12 ZINC001164624928 719065997 /nfs/dbraw/zinc/06/59/97/719065997.db2.gz MACWEWALEXCXHD-MJGOQNOKSA-N 1 0 405.502 3.235 20 0 HGADRO CCOC(=O)c1c[nH]c2ncnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c12 ZINC001164624927 719066181 /nfs/dbraw/zinc/06/61/81/719066181.db2.gz MACWEWALEXCXHD-IEBWSBKVSA-N 1 0 405.502 3.235 20 0 HGADRO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164631684 719094174 /nfs/dbraw/zinc/09/41/74/719094174.db2.gz ZCRFENRSUBQYKN-CRAIPNDOSA-N 1 0 420.891 3.480 20 0 HGADRO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2CC[NH+](CC(C)C)CC2)n1 ZINC001164657255 719335808 /nfs/dbraw/zinc/33/58/08/719335808.db2.gz GCWVPICCCRRHMX-CSKARUKUSA-N 1 0 402.539 3.030 20 0 HGADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc(-c4ccc(-c5ccccc5)cc4)n3)C[C@@H]21 ZINC001164669313 719394552 /nfs/dbraw/zinc/39/45/52/719394552.db2.gz URFGRJWHWVRFHQ-RBUKOAKNSA-N 1 0 407.905 3.378 20 0 HGADRO C[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc(-c4ccc(-c5ccccc5)cc4)n3)C[C@@H]21 ZINC001164669311 719395099 /nfs/dbraw/zinc/39/50/99/719395099.db2.gz URFGRJWHWVRFHQ-OALUTQOASA-N 1 0 407.905 3.378 20 0 HGADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(-c4cccnc4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC000301684045 719433634 /nfs/dbraw/zinc/43/36/34/719433634.db2.gz WIDIEGFCNZTWRM-DLBZAZTESA-N 1 0 407.543 3.151 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc3cc(C)c(C)cc3nc1Cl)CC2 ZINC001164683735 719730212 /nfs/dbraw/zinc/73/02/12/719730212.db2.gz FAZRREMGUATLDU-UHFFFAOYSA-N 1 0 401.942 3.081 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H]2CC(=O)N3Cc2cccnc2)nc1 ZINC001164690671 719775417 /nfs/dbraw/zinc/77/54/17/719775417.db2.gz GVYHETYTSDFZSO-FSSWDIPSSA-N 1 0 405.546 3.403 20 0 HGADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(Cl)c(C(N)=O)n2)CC3)cs1 ZINC001164690890 719804776 /nfs/dbraw/zinc/80/47/76/719804776.db2.gz BWPRGSMLHFPKQI-UHFFFAOYSA-N 1 0 405.955 3.234 20 0 HGADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc4ncnc(Cl)c4n2)CC3)cs1 ZINC001164691526 719811363 /nfs/dbraw/zinc/81/13/63/719811363.db2.gz GCEWLCLXZDIXJE-UHFFFAOYSA-N 1 0 415.954 3.473 20 0 HGADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)c1 ZINC001164815743 720067573 /nfs/dbraw/zinc/06/75/73/720067573.db2.gz ZJNIZJNLZDQCRP-DYESRHJHSA-N 1 0 407.942 3.096 20 0 HGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H]2CC(=O)N3c2cnn(C)c2)nc1 ZINC001164711314 720076433 /nfs/dbraw/zinc/07/64/33/720076433.db2.gz LJWZBAURNXBAQN-NJYVYQBISA-N 1 0 408.550 3.136 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1CSCC3)C2 ZINC001164811658 720081923 /nfs/dbraw/zinc/08/19/23/720081923.db2.gz OTHCTKPLMUWYMJ-MGPUTAFESA-N 1 0 408.999 3.104 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C(=O)OC(C)(C)C)ccn1)C2 ZINC001164811287 720082748 /nfs/dbraw/zinc/08/27/48/720082748.db2.gz NSLSEFQSRJTTHA-AUSIDOKSSA-N 1 0 401.551 3.222 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cncc(OCc3ccccc3)n1)C2 ZINC001164809292 720087171 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COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc(-c3ccncc3)n1)C2 ZINC001164812691 720197085 /nfs/dbraw/zinc/19/70/85/720197085.db2.gz LXEFSTKLUWXGKG-PGRDOPGGSA-N 1 0 413.953 3.377 20 0 HGADRO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(C[NH+]3CCCC3)cn2)cs1 ZINC001164816282 720258199 /nfs/dbraw/zinc/25/81/99/720258199.db2.gz HIPKJRDRIYLJBM-WOJBJXKFSA-N 1 0 411.575 3.212 20 0 HGADRO Cc1sc2ncnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1C ZINC001164818939 720299642 /nfs/dbraw/zinc/29/96/42/720299642.db2.gz BUYSAORQPIJAES-ZWKOTPCHSA-N 1 0 413.591 3.220 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(Oc3ccccc3)ncn2)CC1 ZINC001164819229 720302962 /nfs/dbraw/zinc/30/29/62/720302962.db2.gz CYGBFLBLSNNZBF-SFTDATJTSA-N 1 0 421.545 3.180 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc3c(Cl)ccnc3n2)CC1 ZINC001164828468 720324649 /nfs/dbraw/zinc/32/46/49/720324649.db2.gz JQHDNKABHFGHSL-RTBURBONSA-N 1 0 413.953 3.195 20 0 HGADRO 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CCc1nc2sccc2c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164829345 720348235 /nfs/dbraw/zinc/34/82/35/720348235.db2.gz RKNXNKPRXVGTJC-ZWKOTPCHSA-N 1 0 413.591 3.165 20 0 HGADRO CCOC(=O)c1c(C)cc(Cl)nc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725927 720364703 /nfs/dbraw/zinc/36/47/03/720364703.db2.gz OEPBAFHQYGLFHE-SJORKVTESA-N 1 0 400.910 3.468 20 0 HGADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1C ZINC001164724329 720380127 /nfs/dbraw/zinc/38/01/27/720380127.db2.gz JQVYYQVBSPPGHD-ZWKOTPCHSA-N 1 0 400.910 3.468 20 0 HGADRO COC(=O)c1cc2c(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)[nH]c(Cl)cc-2n1 ZINC001164731715 720412950 /nfs/dbraw/zinc/41/29/50/720412950.db2.gz MDLFKLCVALUDAD-MSOLQXFVSA-N 1 0 411.893 3.251 20 0 HGADRO CC1CCN(C(=O)c2ccc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc2)CC1 ZINC001164734524 720436575 /nfs/dbraw/zinc/43/65/75/720436575.db2.gz SYKTXNDIVCFIFE-YADHBBJMSA-N 1 0 405.546 3.202 20 0 HGADRO 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COc1ccc2nc(Cl)cc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2n1 ZINC001164727104 720568764 /nfs/dbraw/zinc/56/87/64/720568764.db2.gz BFWJMTYDNWTLSV-UHFFFAOYSA-N 1 0 412.925 3.147 20 0 HGADRO CCOC(=O)/C=C\c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1 ZINC001164838552 720569430 /nfs/dbraw/zinc/56/94/30/720569430.db2.gz OLFNMUDEAJOVRW-KFUJGGTHSA-N 1 0 423.561 3.232 20 0 HGADRO Fc1cccc(Oc2cncc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)n2)c1 ZINC001164730721 720573638 /nfs/dbraw/zinc/57/36/38/720573638.db2.gz YXKCYMMKCBGCOT-UHFFFAOYSA-N 1 0 408.481 3.263 20 0 HGADRO Clc1nc2c(Cl)nccc2c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164736142 720579349 /nfs/dbraw/zinc/57/93/49/720579349.db2.gz DSRWUXWMYAFBMX-UHFFFAOYSA-N 1 0 418.332 3.187 20 0 HGADRO CCOc1ccc(-c2ccc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nn2)cc1 ZINC001164736663 720589230 /nfs/dbraw/zinc/58/92/30/720589230.db2.gz QJGYOEAXPYPBIU-UHFFFAOYSA-N 1 0 418.545 3.397 20 0 HGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(N4CCCCC4)ncn3)CC[C@@H]21 ZINC001164842808 720600735 /nfs/dbraw/zinc/60/07/35/720600735.db2.gz VQIQWWVXDKKQRN-HKBOAZHASA-N 1 0 409.582 3.041 20 0 HGADRO COc1cccc2c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)cc(Cl)nc12 ZINC001164743738 720607265 /nfs/dbraw/zinc/60/72/65/720607265.db2.gz QKMRAPJLWLSNOI-CABCVRRESA-N 1 0 411.893 3.029 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(-c4ccncc4)ncn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841332 720614064 /nfs/dbraw/zinc/61/40/64/720614064.db2.gz RWQLLDIHLCMWLS-JAXLGGSGSA-N 1 0 403.534 3.113 20 0 HGADRO CC(C)(C)c1cc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2s1 ZINC001164743211 720656136 /nfs/dbraw/zinc/65/61/36/720656136.db2.gz XBRONWLHIBIQOW-GJZGRUSLSA-N 1 0 410.547 3.121 20 0 HGADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(C(N)=O)cc(Cl)n1)CC2 ZINC001164838186 720664697 /nfs/dbraw/zinc/66/46/97/720664697.db2.gz GDBQVUQFXGZCHB-SFHVURJKSA-N 1 0 414.937 3.094 20 0 HGADRO COc1ccc2c(c1)nc(Cl)cc2N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744334 720692822 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/nfs/dbraw/zinc/82/77/16/720827716.db2.gz VPYSRWBOKQBMCC-MLYOOKFZSA-N 1 0 404.921 3.170 20 0 HGADRO Fc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2ccccc12 ZINC001164738471 720830767 /nfs/dbraw/zinc/83/07/67/720830767.db2.gz FXDIEVDQHJQGQQ-NPPFBWRTSA-N 1 0 406.509 3.345 20 0 HGADRO Fc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2ccccc12 ZINC001164738466 720830872 /nfs/dbraw/zinc/83/08/72/720830872.db2.gz FXDIEVDQHJQGQQ-KGVIQGDOSA-N 1 0 406.509 3.345 20 0 HGADRO Clc1cc2cc[nH]c2nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164741146 720835192 /nfs/dbraw/zinc/83/51/92/720835192.db2.gz DGUOBVABMMREBP-YQVWRLOYSA-N 1 0 411.941 3.139 20 0 HGADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3ccc(Cl)nc3Cl)CC[C@H]2C1 ZINC001164857158 720835355 /nfs/dbraw/zinc/83/53/55/720835355.db2.gz XXGNQZBMXKMBNP-JSGCOSHPSA-N 1 0 410.292 3.107 20 0 HGADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4nccc5c6c([nH]c54)CCC6)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164753866 720857376 /nfs/dbraw/zinc/85/73/76/720857376.db2.gz YUWJZZIGOPYDQE-KGVIQGDOSA-N 1 0 417.561 3.023 20 0 HGADRO CC(C)(c1ccnc(Cl)c1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164752851 720861339 /nfs/dbraw/zinc/86/13/39/720861339.db2.gz UTVZFICNOKFJQO-MISYRCLQSA-N 1 0 414.985 3.437 20 0 HGADRO CCc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164750892 720871144 /nfs/dbraw/zinc/87/11/44/720871144.db2.gz KDYOACUUCDMTPN-VWNXMTODSA-N 1 0 407.562 3.189 20 0 HGADRO Clc1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164751573 720876710 /nfs/dbraw/zinc/87/67/10/720876710.db2.gz LBKCDQONUICTFU-DENIHFKCSA-N 1 0 413.953 3.280 20 0 HGADRO CCOc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164751585 720882276 /nfs/dbraw/zinc/88/22/76/720882276.db2.gz CNWQRHGLRXAQGY-XUZZJYLKSA-N 1 0 423.561 3.025 20 0 HGADRO COCc1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164757185 720882947 /nfs/dbraw/zinc/88/29/47/720882947.db2.gz UEVPINJZCKAJIR-UKILVPOCSA-N 1 0 422.573 3.378 20 0 HGADRO CCOc1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164756818 720884430 /nfs/dbraw/zinc/88/44/30/720884430.db2.gz RDHHMVALLICLTI-ZJSXRUAMSA-N 1 0 423.561 3.025 20 0 HGADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc4c(Cl)cccc4nc3Cl)CC[C@H]2C1 ZINC001164865231 720886751 /nfs/dbraw/zinc/88/67/51/720886751.db2.gz ZAOVIBDCCFQDMZ-BBRMVZONSA-N 1 0 411.333 3.110 20 0 HGADRO COCC[N@@H+]1CCO[C@H]2CN(c3c(Cl)ccc4c(Cl)ncnc43)CC[C@H]2C1 ZINC001164863839 720890773 /nfs/dbraw/zinc/89/07/73/720890773.db2.gz UUQWCKLHGONBPQ-BBRMVZONSA-N 1 0 411.333 3.110 20 0 HGADRO CCc1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164758437 720898088 /nfs/dbraw/zinc/89/80/88/720898088.db2.gz YCEWLAWMHUCHBN-XUZZJYLKSA-N 1 0 407.562 3.189 20 0 HGADRO O=C(N[C@@H]1CCO[C@@]2(CCN(c3ncccc3C[NH+]3CCCC3)C2)C1)c1ccccc1 ZINC001164855564 720903618 /nfs/dbraw/zinc/90/36/18/720903618.db2.gz INARAHWHEMCLLF-RDGATRHJSA-N 1 0 420.557 3.235 20 0 HGADRO COCc1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164751336 720914653 /nfs/dbraw/zinc/91/46/53/720914653.db2.gz LJVLADKKHRJONE-ZCYQVOJMSA-N 1 0 422.573 3.378 20 0 HGADRO COC(=O)c1ccc2c(c1)ncnc2N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164856577 720932504 /nfs/dbraw/zinc/93/25/04/720932504.db2.gz KKGARJWGPUUQLN-OAHLLOKOSA-N 1 0 408.506 3.034 20 0 HGADRO CCOC(=O)c1cc2ccc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)[nH]c-2n1 ZINC001164862791 720982222 /nfs/dbraw/zinc/98/22/22/720982222.db2.gz UQPASAWZQCRPFX-HNNXBMFYSA-N 1 0 410.522 3.358 20 0 HGADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1nc3[nH]cnc3c(Cl)n1)[C@@H]2C ZINC001164858146 721005774 /nfs/dbraw/zinc/00/57/74/721005774.db2.gz IFELZUGVVRVDLT-LLVKDONJSA-N 1 0 424.887 3.121 20 0 HGADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164858855 721022179 /nfs/dbraw/zinc/02/21/79/721022179.db2.gz IABAUWMZOJVHRO-KGLIPLIRSA-N 1 0 420.945 3.024 20 0 HGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H]2CCN3C(=O)c2cnn(C)c2)nc1 ZINC001164761557 721038974 /nfs/dbraw/zinc/03/89/74/721038974.db2.gz GJZKBBLMMLMUNZ-YPAWHYETSA-N 1 0 422.577 3.246 20 0 HGADRO Clc1nnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c2sccc21 ZINC001164866040 721065428 /nfs/dbraw/zinc/06/54/28/721065428.db2.gz BXOAOACGAZETRB-CABCVRRESA-N 1 0 401.923 3.219 20 0 HGADRO Fc1cccc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164866858 721072146 /nfs/dbraw/zinc/07/21/46/721072146.db2.gz GJLYGNGPUBMWPE-CVEARBPZSA-N 1 0 413.884 3.297 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)nc4Cl)C[C@H]3C2)cn1 ZINC001164772612 721077270 /nfs/dbraw/zinc/07/72/70/721077270.db2.gz VFWJQXRZNREDML-CHWSQXEVSA-N 1 0 417.291 3.020 20 0 HGADRO Clc1nc2c(c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n1)CCCCC2 ZINC001164866969 721081847 /nfs/dbraw/zinc/08/18/47/721081847.db2.gz VRXLBUUMFSVPSS-ZWKOTPCHSA-N 1 0 413.953 3.274 20 0 HGADRO Cc1sc2nc(C)nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1C ZINC001164865417 721084848 /nfs/dbraw/zinc/08/48/48/721084848.db2.gz LEWUPMXRFNNXDP-RTBURBONSA-N 1 0 409.559 3.491 20 0 HGADRO CCc1c(Cl)nnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1CC ZINC001164865762 721091260 /nfs/dbraw/zinc/09/12/60/721091260.db2.gz PHDKRSVTTQTSCM-DLBZAZTESA-N 1 0 401.942 3.130 20 0 HGADRO Cc1cc2c(nc(Cl)nc2N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)s1 ZINC001164768954 721104861 /nfs/dbraw/zinc/10/48/61/721104861.db2.gz OJKHNFRXESROFZ-HUUCEWRRSA-N 1 0 402.955 3.345 20 0 HGADRO Cc1cc2c(nc(Cl)nc2N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)s1 ZINC001164768953 721104908 /nfs/dbraw/zinc/10/49/08/721104908.db2.gz OJKHNFRXESROFZ-GJZGRUSLSA-N 1 0 402.955 3.345 20 0 HGADRO Cc1cc2c(nc(Cl)nc2N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)s1 ZINC001164768952 721106001 /nfs/dbraw/zinc/10/60/01/721106001.db2.gz OJKHNFRXESROFZ-CABCVRRESA-N 1 0 402.955 3.345 20 0 HGADRO Cc1nc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(Cl)c1C ZINC001164867335 721108454 /nfs/dbraw/zinc/10/84/54/721108454.db2.gz XYCZGALYDKDCSP-IAGOWNOFSA-N 1 0 423.895 3.166 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)nc5c4CCCCC5)C[C@H]3C2)cn1 ZINC001164773258 721120974 /nfs/dbraw/zinc/12/09/74/721120974.db2.gz XOASRQFQZMHGJK-DLBZAZTESA-N 1 0 400.958 3.091 20 0 HGADRO Fc1cc2ncnc(Cl)c2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164879572 721127630 /nfs/dbraw/zinc/12/76/30/721127630.db2.gz UAVVYXYQOFXPSG-IRXDYDNUSA-N 1 0 413.884 3.297 20 0 HGADRO CCc1cc2c(nc(Cl)nc2N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)[nH]1 ZINC001164879093 721130285 /nfs/dbraw/zinc/13/02/85/721130285.db2.gz RTDVVZMHQUHGQY-IAGOWNOFSA-N 1 0 412.925 3.048 20 0 HGADRO c1cncc(CO[C@H]2C[C@H]3CN(c4ncnc5sc6c(c54)CCC6)CC[N@@H+]3C2)c1 ZINC001164876440 721140113 /nfs/dbraw/zinc/14/01/13/721140113.db2.gz MLDVJRXKMUXIGJ-IRXDYDNUSA-N 1 0 407.543 3.055 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cccc(OCc5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164768700 721174435 /nfs/dbraw/zinc/17/44/35/721174435.db2.gz LOQYPSZFKIPFES-FCHUYYIVSA-N 1 0 403.530 3.352 20 0 HGADRO Clc1cc(-c2ccncc2)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164880735 721182874 /nfs/dbraw/zinc/18/28/74/721182874.db2.gz XJLHLSBQYMOXNE-OALUTQOASA-N 1 0 422.920 3.067 20 0 HGADRO CCc1nc(Cl)nc(Cl)c1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866459 721184959 /nfs/dbraw/zinc/18/49/59/721184959.db2.gz AXJJTHLDXBMCGQ-GJZGRUSLSA-N 1 0 408.333 3.221 20 0 HGADRO Fc1ccc2c(Cl)ncnc2c1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868050 721190188 /nfs/dbraw/zinc/19/01/88/721190188.db2.gz JQZVOHAFZIBLBN-CVEARBPZSA-N 1 0 413.884 3.297 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncccc4OCc4ccccc4)C[C@@H]3C2)cn1 ZINC001164768642 721191536 /nfs/dbraw/zinc/19/15/36/721191536.db2.gz LKHNUVCAWNMHHO-VXKWHMMOSA-N 1 0 403.530 3.352 20 0 HGADRO CCOc1ccc(-c2ccc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nn2)cc1 ZINC001164770100 721218300 /nfs/dbraw/zinc/21/83/00/721218300.db2.gz NBCPWSSIWJCMJX-LEWJYISDSA-N 1 0 418.545 3.234 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nnc(Cl)c5ccc(F)cc54)C[C@@H]3C2)cn1 ZINC001164763271 721224711 /nfs/dbraw/zinc/22/47/11/721224711.db2.gz FDNVRLLJPMMGQE-CABCVRRESA-N 1 0 400.889 3.114 20 0 HGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nccc(SCc5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164767207 721229557 /nfs/dbraw/zinc/22/95/57/721229557.db2.gz WFNDHPQQKNPDJH-SFTDATJTSA-N 1 0 420.586 3.461 20 0 HGADRO Cc1c(Cl)nc(CC(C)C)nc1N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164763939 721235627 /nfs/dbraw/zinc/23/56/27/721235627.db2.gz OHBMFIUUECDXRR-QZTJIDSGSA-N 1 0 402.974 3.329 20 0 HGADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CC4(C3)CC[N@H+](CC3CC3)C4)c2c1 ZINC001164770409 721297015 /nfs/dbraw/zinc/29/70/15/721297015.db2.gz RWFVJYHUGUXAMN-UHFFFAOYSA-N 1 0 400.910 3.382 20 0 HGADRO Cc1sc2ncnc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2c1C ZINC001164887428 721388988 /nfs/dbraw/zinc/38/89/88/721388988.db2.gz ICIFTOZNAAXXGS-AVRDEDQJSA-N 1 0 415.607 3.074 20 0 HGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nccc5cc(Cl)ncc54)C3)O2)CC1 ZINC001164885730 721400341 /nfs/dbraw/zinc/40/03/41/721400341.db2.gz HDBYXSODCAWIDO-GCJKJVERSA-N 1 0 415.969 3.049 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nccc5cc(Cl)ncc54)C3)O2)CC1 ZINC001164885726 721400463 /nfs/dbraw/zinc/40/04/63/721400463.db2.gz HDBYXSODCAWIDO-AVRDEDQJSA-N 1 0 415.969 3.049 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cnc5c(Cl)cccc5n4)C3)O2)CC1 ZINC001164886681 721402316 /nfs/dbraw/zinc/40/23/16/721402316.db2.gz KSQQEAONQICCAO-HTAPYJJXSA-N 1 0 415.969 3.049 20 0 HGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc5ccc(Cl)nc5cn4)C3)O2)CC1 ZINC001164886205 721415777 /nfs/dbraw/zinc/41/57/77/721415777.db2.gz ICYZEMWGZOKHPM-XMSQKQJNSA-N 1 0 415.969 3.049 20 0 HGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncc5ccc(Cl)cc5n4)C3)O2)CC1 ZINC001164884545 721419117 /nfs/dbraw/zinc/41/91/17/721419117.db2.gz DUUYYIXZKGTTSW-DENIHFKCSA-N 1 0 415.969 3.049 20 0 HGADRO CSc1ccnc(Cl)c1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164890593 721421335 /nfs/dbraw/zinc/42/13/35/721421335.db2.gz TZNGPQZEXVOWHW-OXJNMPFZSA-N 1 0 411.015 3.222 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc5c(Cl)ccnc5cn4)C3)O2)CC1 ZINC001164892993 721421480 /nfs/dbraw/zinc/42/14/80/721421480.db2.gz ZUXCSUANCPIBOW-HTAPYJJXSA-N 1 0 415.969 3.049 20 0 HGADRO COc1ccc2ccnc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2c1 ZINC001164895424 721426951 /nfs/dbraw/zinc/42/69/51/721426951.db2.gz OXBOPXRTFZBOQZ-QPPBQGQZSA-N 1 0 410.562 3.009 20 0 HGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3sccc31)CC2 ZINC001164784482 721448359 /nfs/dbraw/zinc/44/83/59/721448359.db2.gz FSAQZNGSWOOIDL-SFHVURJKSA-N 1 0 416.591 3.425 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3[nH]c(C)cc31)CC2 ZINC001164787695 721455685 /nfs/dbraw/zinc/45/56/85/721455685.db2.gz PLTANMFXNUGDIF-LJQANCHMSA-N 1 0 413.566 3.000 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)nc3c1CCC3)CC2 ZINC001164788592 721464121 /nfs/dbraw/zinc/46/41/21/721464121.db2.gz ULOQPDNVGHDWDP-HXUWFJFHSA-N 1 0 414.594 3.008 20 0 HGADRO CCCc1ccc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nn1 ZINC001164791719 721467351 /nfs/dbraw/zinc/46/73/51/721467351.db2.gz XZCJKEOHXKSEKX-NRFANRHFSA-N 1 0 402.583 3.163 20 0 HGADRO COC(=O)c1nc(Cl)cnc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792899 721496024 /nfs/dbraw/zinc/49/60/24/721496024.db2.gz UYTAQJCCTLMQJO-UHFFFAOYSA-N 1 0 415.925 3.193 20 0 HGADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc3ncnc(Cl)c3n1)CC2 ZINC001164795737 721497829 /nfs/dbraw/zinc/49/78/29/721497829.db2.gz LDSFUFJNOUIIQK-UHFFFAOYSA-N 1 0 409.925 3.349 20 0 HGADRO C[N@H+](Cc1ccc(N2CCC3(CCC(=O)N3Cc3ccncc3)CC2)nc1)C1CC1 ZINC001164899916 721507343 /nfs/dbraw/zinc/50/73/43/721507343.db2.gz MJEFNOJUHFTVMO-UHFFFAOYSA-N 1 0 405.546 3.232 20 0 HGADRO COC(=O)c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)c1 ZINC001164900460 721508888 /nfs/dbraw/zinc/50/88/88/721508888.db2.gz RCQMGVOYLYJVAZ-DOTOQJQBSA-N 1 0 405.857 3.003 20 0 HGADRO COc1cc2ncc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc2cc1OC ZINC001164905203 721531426 /nfs/dbraw/zinc/53/14/26/721531426.db2.gz GNPSHJCHAWJTJF-WMZOPIPTSA-N 1 0 424.476 3.128 20 0 HGADRO COc1ccc2nc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc(C)c2c1 ZINC001164912011 721540733 /nfs/dbraw/zinc/54/07/33/721540733.db2.gz YDDVAFXYBDTDCT-PXNSSMCTSA-N 1 0 408.477 3.428 20 0 HGADRO Cc1nc2cc(F)ccc2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164805586 721541848 /nfs/dbraw/zinc/54/18/48/721541848.db2.gz MKVLHEXOWJHGKI-BHIFYINESA-N 1 0 407.493 3.341 20 0 HGADRO CCOC(=O)c1nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1Cl ZINC001164902982 721547741 /nfs/dbraw/zinc/54/77/41/721547741.db2.gz BPDYEWRHLJPOAB-WBVHZDCISA-N 1 0 419.884 3.393 20 0 HGADRO Cc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(-c2ccncc2)n1 ZINC001164903178 721551463 /nfs/dbraw/zinc/55/14/63/721551463.db2.gz BHXZKYHBLIYUKN-TZIWHRDSSA-N 1 0 405.477 3.328 20 0 HGADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)CC[N@@H+]3C2)c1 ZINC001164910451 721562599 /nfs/dbraw/zinc/56/25/99/721562599.db2.gz WZIMIDPETLMIQL-UYAOXDASSA-N 1 0 421.476 3.490 20 0 HGADRO FC1(F)CCN(c2nc(Cl)nc3nc[nH]c32)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906700 721584149 /nfs/dbraw/zinc/58/41/49/721584149.db2.gz OWZXOEPIMNKYIW-SFHVURJKSA-N 1 0 419.867 3.139 20 0 HGADRO COC(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1C ZINC001164908006 721700076 /nfs/dbraw/zinc/70/00/76/721700076.db2.gz XXQBRCXUMWFTIR-OAQYLSRUSA-N 1 0 416.472 3.309 20 0 HGADRO CCN(CC)c1cncc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908545 721716025 /nfs/dbraw/zinc/71/60/25/721716025.db2.gz XSUXESGQJHXIIU-NRFANRHFSA-N 1 0 416.520 3.456 20 0 HGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(-c3ccc(Cl)cc3)nn2)CC1 ZINC001165007262 721732002 /nfs/dbraw/zinc/73/20/02/721732002.db2.gz APSFUVDIYIBKFC-UHFFFAOYSA-N 1 0 413.953 3.320 20 0 HGADRO Cc1cnc2c(ccnc2N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164910779 721732201 /nfs/dbraw/zinc/73/22/01/721732201.db2.gz HUNLOAOFVDBUFG-NRFANRHFSA-N 1 0 410.472 3.466 20 0 HGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cccc(OCc3ccccc3)n2)CC1 ZINC001165009456 721742341 /nfs/dbraw/zinc/74/23/41/721742341.db2.gz DQSVIRRUSDNAAT-UHFFFAOYSA-N 1 0 408.546 3.184 20 0 HGADRO CCN(c1ccccc1)c1cc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)ncn1 ZINC001165012703 721747448 /nfs/dbraw/zinc/74/74/48/721747448.db2.gz MGGBYXWYLFSPFD-UHFFFAOYSA-N 1 0 422.577 3.158 20 0 HGADRO c1cc(-c2ccc3c(C4CN(c5ccc(CN6CCOCC6)cn5)C4)[nH+]cn3c2)co1 ZINC001165014772 721766778 /nfs/dbraw/zinc/76/67/78/721766778.db2.gz ISFBAXOZSRUQCC-UHFFFAOYSA-N 1 0 415.497 3.425 20 0 HGADRO FC1(F)CCN(c2ccc(C[NH+]3CCCC3)cn2)C[C@@]12CCN(c1cnccn1)C2 ZINC001164917774 721802899 /nfs/dbraw/zinc/80/28/99/721802899.db2.gz YHJDJUMHJAEQKR-OAQYLSRUSA-N 1 0 414.504 3.210 20 0 HGADRO COC(=O)c1cnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1OC ZINC001165023952 721803449 /nfs/dbraw/zinc/80/34/49/721803449.db2.gz KJSZWJQYTCNXMD-VDGAXYAQSA-N 1 0 410.518 3.009 20 0 HGADRO COC(=O)c1cc(OC)cnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165024047 721807424 /nfs/dbraw/zinc/80/74/24/721807424.db2.gz KVVSHVDYPNKTGG-NDXORKPFSA-N 1 0 410.518 3.009 20 0 HGADRO Cc1nc2nc(Cl)nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2[nH]1 ZINC001165021336 721807554 /nfs/dbraw/zinc/80/75/54/721807554.db2.gz GKOVXZRBGDLQJO-BHYGNILZSA-N 1 0 411.941 3.447 20 0 HGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(SC)ncc2OC)CC1 ZINC001165020256 721838707 /nfs/dbraw/zinc/83/87/07/721838707.db2.gz GUQLJWSMUUIFLC-UHFFFAOYSA-N 1 0 418.563 3.325 20 0 HGADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ncnc2cc(OCc3ccccc3)ccc21 ZINC001164934399 721887860 /nfs/dbraw/zinc/88/78/60/721887860.db2.gz RILKHGWLICZWEB-RPWUZVMVSA-N 1 0 417.557 3.423 20 0 HGADRO COc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1 ZINC001164932572 721888668 /nfs/dbraw/zinc/88/86/68/721888668.db2.gz JEXDYKRJIVQUIY-ROUUACIJSA-N 1 0 417.941 3.146 20 0 HGADRO COC(=O)c1cc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)ncc1F ZINC001164938912 721924760 /nfs/dbraw/zinc/92/47/60/721924760.db2.gz AYMQQVNPFXPCSK-UHFFFAOYSA-N 1 0 413.493 3.187 20 0 HGADRO CCNC(=O)c1ccc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc1 ZINC001164940691 721930235 /nfs/dbraw/zinc/93/02/35/721930235.db2.gz XDHHGLHZCARUSB-UHFFFAOYSA-N 1 0 408.546 3.011 20 0 HGADRO CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3ncccc3C[NH+]3CCCC3)C[C@H]12 ZINC001164943755 721968031 /nfs/dbraw/zinc/96/80/31/721968031.db2.gz GFRCETMAQLSHSN-UKILVPOCSA-N 1 0 404.558 3.446 20 0 HGADRO CC(C)CCNS(=O)(=O)c1ccc(N2CCCC[C@@H]2CC[NH+]2CCCC2)nc1 ZINC001165048046 721976219 /nfs/dbraw/zinc/97/62/19/721976219.db2.gz ILTMIEATDAXRHN-LJQANCHMSA-N 1 0 408.612 3.251 20 0 HGADRO c1nc(COc2cccnc2)c2n1CCCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164949686 721998192 /nfs/dbraw/zinc/99/81/92/721998192.db2.gz FFAABDQHMIIZLG-UHFFFAOYSA-N 1 0 404.518 3.258 20 0 HGADRO COC(=O)c1cnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c(Cl)c1 ZINC001164953689 722011922 /nfs/dbraw/zinc/01/19/22/722011922.db2.gz GAAIUNRRQNLVIF-UHFFFAOYSA-N 1 0 400.910 3.409 20 0 HGADRO CCOC(=O)c1nnc(Cl)cc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164953187 722016311 /nfs/dbraw/zinc/01/63/11/722016311.db2.gz SOTNGXJZSACLHS-UHFFFAOYSA-N 1 0 415.925 3.194 20 0 HGADRO CCOC(=O)c1ccc(C)c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164958114 722051770 /nfs/dbraw/zinc/05/17/70/722051770.db2.gz CRAATRYLXIGNRU-UHFFFAOYSA-N 1 0 424.545 3.081 20 0 HGADRO Fc1ccc2ncnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2c1 ZINC001164961935 722053313 /nfs/dbraw/zinc/05/33/13/722053313.db2.gz ZETCWXQTSKFDCA-UHFFFAOYSA-N 1 0 407.493 3.283 20 0 HGADRO COc1nnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c2ccccc21 ZINC001164959969 722059349 /nfs/dbraw/zinc/05/93/49/722059349.db2.gz AZECWUNHCBMVMU-UHFFFAOYSA-N 1 0 419.529 3.152 20 0 HGADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCn3c(Cn4cccn4)nnc3C2)nc1 ZINC001164971818 722089093 /nfs/dbraw/zinc/08/90/93/722089093.db2.gz DOSXWZDTIOZXDW-FQEVSTJZSA-N 1 0 420.565 3.265 20 0 HGADRO FC(F)(c1ccnc(Cl)c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164986543 722100469 /nfs/dbraw/zinc/10/04/69/722100469.db2.gz ZGZOVUHCEZCHKK-WMZOPIPTSA-N 1 0 408.880 3.402 20 0 HGADRO c1ccc(-c2nccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164984721 722104660 /nfs/dbraw/zinc/10/46/60/722104660.db2.gz UEBFQJKJTJFHRQ-YADHBBJMSA-N 1 0 401.514 3.266 20 0 HGADRO Clc1cc2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2cn1 ZINC001164982179 722109668 /nfs/dbraw/zinc/10/96/68/722109668.db2.gz WCYNLUCMQOMAMA-QUCCMNQESA-N 1 0 409.921 3.406 20 0 HGADRO Clc1ccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cnc2c1 ZINC001164975660 722110533 /nfs/dbraw/zinc/11/05/33/722110533.db2.gz KEQIMXURVIJJDY-LAUBAEHRSA-N 1 0 409.921 3.406 20 0 HGADRO Clc1nnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c2c1CCCC2 ZINC001164970861 722113152 /nfs/dbraw/zinc/11/31/52/722113152.db2.gz AAQIZFWVPWVFFF-YLJYHZDGSA-N 1 0 413.953 3.131 20 0 HGADRO COc1ccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc(C)c2c1 ZINC001164981114 722125599 /nfs/dbraw/zinc/12/55/99/722125599.db2.gz SQUMFKIFJJCENS-XXBNENTESA-N 1 0 419.529 3.069 20 0 HGADRO COc1ccc2cnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cc2c1 ZINC001164980961 722132810 /nfs/dbraw/zinc/13/28/10/722132810.db2.gz OGLNRLBBEMEMMR-NFBKMPQASA-N 1 0 404.514 3.366 20 0 HGADRO CC(C)(C)c1nc2[nH]ccc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164975200 722135828 /nfs/dbraw/zinc/13/58/28/722135828.db2.gz FQVPZPGWTKNJKV-QUCCMNQESA-N 1 0 420.561 3.378 20 0 HGADRO COc1cccc2c1ccnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972817 722146500 /nfs/dbraw/zinc/14/65/00/722146500.db2.gz ARYLSBFNYSQPFK-WMZHIEFXSA-N 1 0 404.514 3.366 20 0 HGADRO Cc1csc2nc(C)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164984573 722148117 /nfs/dbraw/zinc/14/81/17/722148117.db2.gz XCVLXYQBZOZZEU-RBUKOAKNSA-N 1 0 409.559 3.430 20 0 HGADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ccc(COC5CCC5)cn4)CC[C@@H]3C2)c1 ZINC001164974801 722152124 /nfs/dbraw/zinc/15/21/24/722152124.db2.gz QRLIEBRMWFLKFT-GGAORHGYSA-N 1 0 408.546 3.273 20 0 HGADRO Cc1cc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2cc1C ZINC001164972652 722152498 /nfs/dbraw/zinc/15/24/98/722152498.db2.gz IVMMVXOCEGGQHZ-NFBKMPQASA-N 1 0 403.530 3.369 20 0 HGADRO O=C1CCC(=O)N1Cc1ccc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1 ZINC001164995509 722203975 /nfs/dbraw/zinc/20/39/75/722203975.db2.gz NXIRLRHPVPANQU-DEOSSOPVSA-N 1 0 422.504 3.115 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3C[C@@H](C(=O)NC(C)C)C[C@H]32)nc1 ZINC001164997850 722216900 /nfs/dbraw/zinc/21/69/00/722216900.db2.gz SMXIPZSKMWHYGF-DOIPELPJSA-N 1 0 400.567 3.137 20 0 HGADRO O=C1C[C@]2(CCN(c3ccc(C[NH+]4CCCC4)cn3)C2)CN1c1ccc2c(c1)OCO2 ZINC001164999234 722220237 /nfs/dbraw/zinc/22/02/37/722220237.db2.gz OHCLEWVVICCCFI-DEOSSOPVSA-N 1 0 420.513 3.040 20 0 HGADRO CC(C)CN1c2ccccc2[C@@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)CC[C@H]21 ZINC001165003698 722245225 /nfs/dbraw/zinc/24/52/25/722245225.db2.gz LMKVGHMWEPVXSN-RBBKRZOGSA-N 1 0 406.578 3.067 20 0 HGADRO C[NH+](C)CCOCc1ncn2c1CN(c1nnc(Cl)c3ccsc31)CCC2 ZINC001165000168 722251877 /nfs/dbraw/zinc/25/18/77/722251877.db2.gz LCTOJHBHBYGUHV-UHFFFAOYSA-N 1 0 406.943 3.030 20 0 HGADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(C(F)F)nc3ccccc31)CCC2 ZINC001165004631 722257005 /nfs/dbraw/zinc/25/70/05/722257005.db2.gz ULABREYYVLPZFE-UHFFFAOYSA-N 1 0 416.476 3.252 20 0 HGADRO Cc1cc(-c2cccc(F)c2)nnc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165004057 722258001 /nfs/dbraw/zinc/25/80/01/722258001.db2.gz MELJJWDGLFSXGD-UHFFFAOYSA-N 1 0 424.524 3.276 20 0 HGADRO C[NH+]1CCN(c2cccc(N3CC[C@@H](OCC4CC4)[C@@H]3Cc3ccccc3)n2)CC1 ZINC001165006842 722271572 /nfs/dbraw/zinc/27/15/72/722271572.db2.gz RLWUDEIWNACUEY-XZOQPEGZSA-N 1 0 406.574 3.450 20 0 HGADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ncc(I)s2)cc1C ZINC001202677066 1126157375 /nfs/dbraw/zinc/15/73/75/1126157375.db2.gz RNCGWUAQYQVBIN-CYBMUJFWSA-N 1 0 402.301 3.058 20 0 HGADRO CC(=O)Oc1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cc1 ZINC001307929342 1126162048 /nfs/dbraw/zinc/16/20/48/1126162048.db2.gz MEZCCVQKAKLBCY-HXUWFJFHSA-N 1 0 404.304 3.384 20 0 HGADRO OC[C@@]1([NH2+]Cc2ccc(N3CCCC3)nc2)CCc2cc(Br)ccc2C1 ZINC001308463359 1126166111 /nfs/dbraw/zinc/16/61/11/1126166111.db2.gz BTDHOLWOAIBXSY-OAQYLSRUSA-N 1 0 416.363 3.454 20 0 HGADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC001460699256 1126192133 /nfs/dbraw/zinc/19/21/33/1126192133.db2.gz VYYQETOBONBLOS-DEOSSOPVSA-N 1 0 408.498 3.302 20 0 HGADRO OC[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC001462093198 1126197448 /nfs/dbraw/zinc/19/74/48/1126197448.db2.gz XXWYFOJGCNTFHA-CYBMUJFWSA-N 1 0 408.321 3.300 20 0 HGADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2cn(-c3ccccc3Br)nn2)cc1C ZINC001474169408 1126202327 /nfs/dbraw/zinc/20/23/27/1126202327.db2.gz GLBUQUWCMHZLGH-QGZVFWFLSA-N 1 0 415.335 3.340 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cn3ccc(Br)cc3n2)cc1 ZINC001474257556 1126203831 /nfs/dbraw/zinc/20/38/31/1126203831.db2.gz JNMRDMXMIDANST-LJQANCHMSA-N 1 0 404.308 3.189 20 0 HGADRO COC(=O)c1cccc2c(C[NH2+][C@](C)(CO)Cc3ccc(OC)c(OC)c3)ccnc12 ZINC001560998064 1126214527 /nfs/dbraw/zinc/21/45/27/1126214527.db2.gz MGQCYQMGCNZGRJ-DEOSSOPVSA-N 1 0 424.497 3.122 20 0 HGADRO COCCn1cc([C@H]2[C@H](C[NH2+]Cc3ccc(F)cc3C)CC(=O)N2C(C)(C)C)cn1 ZINC000508869547 568954590 /nfs/dbraw/zinc/95/45/90/568954590.db2.gz YHWQJDYCVBWSNY-PGRDOPGGSA-N 1 0 416.541 3.455 20 0 HGADRO FC(F)(F)[C@@H]1N(C(F)(F)c2cc(Cl)nc(=S)[nH]2)CCC12CC[NH2+]CC2 ZINC001164387317 718815179 /nfs/dbraw/zinc/81/51/79/718815179.db2.gz FNMOHNLDMUHYIU-SNVBAGLBSA-N 1 0 402.820 3.474 20 0 HGADRO CC(C)c1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[NH2+]C[C@]4(CO)C3)c(Cl)nn2)cc1 ZINC001164410297 718854886 /nfs/dbraw/zinc/85/48/86/718854886.db2.gz ZWSNRFUFDUZFNL-OXJNMPFZSA-N 1 0 422.907 3.483 20 0 HGADRO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CCO[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001164406510 718862137 /nfs/dbraw/zinc/86/21/37/718862137.db2.gz UTWXEJRUYSJRJQ-YGRLFVJLSA-N 1 0 403.260 3.296 20 0 HGADRO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CCO[C@@H]2C[NH2+]CC[C@H]2C1 ZINC001164406503 718862166 /nfs/dbraw/zinc/86/21/66/718862166.db2.gz UTWXEJRUYSJRJQ-IINYFYTJSA-N 1 0 403.260 3.296 20 0 HGADRO FC(F)(Oc1ccc2nc(Cl)c(Cl)nc2c1)N1CCO[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001164404306 718862367 /nfs/dbraw/zinc/86/23/67/718862367.db2.gz PGPFUHLIFQCAMH-YGRLFVJLSA-N 1 0 419.259 3.176 20 0 HGADRO Cc1sc2nc(CN3CCCCC3)nc(N3CCO[C@@H]4C[NH2+]CC[C@H]4C3)c2c1C ZINC001164408981 718864429 /nfs/dbraw/zinc/86/44/29/718864429.db2.gz OHSUNBDSYZVVPH-ZWKOTPCHSA-N 1 0 415.607 3.109 20 0 HGADRO COc1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)c(Cl)nn2)c1 ZINC001164410182 718865468 /nfs/dbraw/zinc/86/54/68/718865468.db2.gz YJAZOEBEGYAKSW-RDTXWAMCSA-N 1 0 424.879 3.165 20 0 HGADRO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164424676 718919645 /nfs/dbraw/zinc/91/96/45/718919645.db2.gz OAGFMRAEKUMEAM-SFHVURJKSA-N 1 0 413.852 3.125 20 0 HGADRO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1C[C@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164428258 718946514 /nfs/dbraw/zinc/94/65/14/718946514.db2.gz IQFRMEAWRVMPFO-HUUCEWRRSA-N 1 0 403.820 3.406 20 0 HGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN([C@@H](F)Oc1ccnc(Cl)c1)C2 ZINC001164616659 719007985 /nfs/dbraw/zinc/00/79/85/719007985.db2.gz LFXOORQKEHBKNJ-ZTNFWEORSA-N 1 0 411.905 3.012 20 0 HGADRO CCOC(=O)c1cc(Cl)nnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629647 719067229 /nfs/dbraw/zinc/06/72/29/719067229.db2.gz YKQPSIOHIPGYGL-AEFFLSMTSA-N 1 0 400.910 3.408 20 0 HGADRO CCOC(=O)c1ncnc(Cl)c1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164625986 719093245 /nfs/dbraw/zinc/09/32/45/719093245.db2.gz HVOLGXXATQPDKE-IRXDYDNUSA-N 1 0 400.910 3.408 20 0 HGADRO CCCNC(=O)c1cc(Cl)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164621886 719114504 /nfs/dbraw/zinc/11/45/04/719114504.db2.gz BJZRICKTUAKMRS-PKOBYXMFSA-N 1 0 413.953 3.371 20 0 HGADRO C[NH+]1CCN(c2cccc(N3C[C@@H]4C[C@H](c5nc(C6CC6)cs5)O[C@@H]4C3)n2)CC1 ZINC001164645561 719289538 /nfs/dbraw/zinc/28/95/38/719289538.db2.gz KMJKKDFAPAVUGT-QXAKKESOSA-N 1 0 411.575 3.134 20 0 HGADRO CC(C)N(C)Cc1nn(-c2ncnc3sc4c(c32)CC[C@@H](C)C4)c2c1CC[NH2+]C2 ZINC001164683654 719620969 /nfs/dbraw/zinc/62/09/69/719620969.db2.gz UHXDYQGIPTVAQZ-CQSZACIVSA-N 1 0 410.591 3.488 20 0 HGADRO CC(C)N(C)Cc1nn(-c2nc(Cl)cc(Cc3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164681221 719632164 /nfs/dbraw/zinc/63/21/64/719632164.db2.gz DJUZJRYSCZALIW-UHFFFAOYSA-N 1 0 410.953 3.392 20 0 HGADRO CC(C)N(C)Cc1nn(-c2ncccc2OCc2ccc(F)cc2)c2c1CC[NH2+]C2 ZINC001164679483 719643539 /nfs/dbraw/zinc/64/35/39/719643539.db2.gz CDBQXOQBGAHQQV-UHFFFAOYSA-N 1 0 409.509 3.471 20 0 HGADRO Cc1cnc(C)nc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680629 719665043 /nfs/dbraw/zinc/66/50/43/719665043.db2.gz GMGAOTVCCUGOQC-FQEVSTJZSA-N 1 0 421.589 3.187 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc3c(Cl)cccc31)CC2 ZINC001164683402 719716678 /nfs/dbraw/zinc/71/66/78/719716678.db2.gz KAOPGMMYCCMVMB-UHFFFAOYSA-N 1 0 408.333 3.117 20 0 HGADRO CCOC(=O)c1cncc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164692931 719807695 /nfs/dbraw/zinc/80/76/95/719807695.db2.gz NVJOLZCLMVGDAT-UHFFFAOYSA-N 1 0 401.536 3.053 20 0 HGADRO CN(C)c1nc(Cl)cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164696611 719886370 /nfs/dbraw/zinc/88/63/70/719886370.db2.gz AIXKJZOZBLTOML-UHFFFAOYSA-N 1 0 407.971 3.129 20 0 HGADRO CCCNC(=O)c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1 ZINC001164705378 719898801 /nfs/dbraw/zinc/89/88/01/719898801.db2.gz AXXSYQOPDPEUNM-UHFFFAOYSA-N 1 0 414.575 3.154 20 0 HGADRO NC(=O)c1cc2ccccc2c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164707896 719899732 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WLNGXAPZHSPWFK-LPHOPBHVSA-N 1 0 415.912 3.387 20 0 HGADRO CCCN(CCC)c1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)ncn1 ZINC001164807409 720143709 /nfs/dbraw/zinc/14/37/09/720143709.db2.gz CGMYRGZZWIBCLB-NFBKMPQASA-N 1 0 401.599 3.288 20 0 HGADRO CCc1cc2c(nc(Cl)nc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)[nH]1 ZINC001164814242 720154616 /nfs/dbraw/zinc/15/46/16/720154616.db2.gz FDPTUTOJPRGERR-QVKFZJNVSA-N 1 0 403.958 3.358 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc(-c3ccncc3)n1)C2 ZINC001164812697 720196516 /nfs/dbraw/zinc/19/65/16/720196516.db2.gz LXEFSTKLUWXGKG-XMSQKQJNSA-N 1 0 413.953 3.377 20 0 HGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nnc(Cl)c3ccccc31)CCC2 ZINC001164815213 720213906 /nfs/dbraw/zinc/21/39/06/720213906.db2.gz XBEXVRCBLYOQFM-UHFFFAOYSA-N 1 0 412.925 3.090 20 0 HGADRO Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncccc2C[NH+]2CCCC2)cs1 ZINC001164818345 720260909 /nfs/dbraw/zinc/26/09/09/720260909.db2.gz YSOSXXJTPXLVPU-PMACEKPBSA-N 1 0 411.575 3.212 20 0 HGADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3ccnn3C[C@@H](C(=O)N3CCCC3)C2)nc1 ZINC001164820322 720268187 /nfs/dbraw/zinc/26/81/87/720268187.db2.gz VSQHYQBOYBPLHV-UNMCSNQZSA-N 1 0 422.577 3.084 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nnc(Cl)c3ccsc32)CC1 ZINC001164822655 720305112 /nfs/dbraw/zinc/30/51/12/720305112.db2.gz NXJRRYDBQWAUFL-HZPDHXFCSA-N 1 0 419.982 3.256 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nccc(Oc3ccccc3)n2)CC1 ZINC001164826669 720305917 /nfs/dbraw/zinc/30/59/17/720305917.db2.gz WDZBTPZKDHSVBD-LEWJYISDSA-N 1 0 421.545 3.180 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(Cl)nc3c2CCC3)CC1 ZINC001164823933 720306959 /nfs/dbraw/zinc/30/69/59/720306959.db2.gz QSQZZOPRTIGBOZ-RBUKOAKNSA-N 1 0 402.970 3.135 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nccc3cc(Cl)ncc32)CC1 ZINC001164821429 720309474 /nfs/dbraw/zinc/30/94/74/720309474.db2.gz KOWYYVFSEHCBFB-RBUKOAKNSA-N 1 0 413.953 3.195 20 0 HGADRO COc1ccc2nc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ccc2c1 ZINC001164819180 720310187 /nfs/dbraw/zinc/31/01/87/720310187.db2.gz CTEFMDKFDRIMLB-FGZHOGPDSA-N 1 0 408.546 3.155 20 0 HGADRO CCc1cc2c(ncnc2N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)s1 ZINC001164823817 720316152 /nfs/dbraw/zinc/31/61/52/720316152.db2.gz BJJQNEKFZUULPQ-MOPGFXCFSA-N 1 0 413.591 3.165 20 0 HGADRO COc1ccc2ccc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2c1 ZINC001164827927 720325361 /nfs/dbraw/zinc/32/53/61/720325361.db2.gz JAQIQKMUOSNBTH-YADHBBJMSA-N 1 0 408.546 3.155 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(-c3cccs3)nn2)CC1 ZINC001164833879 720326386 /nfs/dbraw/zinc/32/63/86/720326386.db2.gz XVBBUCVMDCRCGS-MOPGFXCFSA-N 1 0 411.575 3.117 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(C(C)(C)C)nc3[nH]ccc32)CC1 ZINC001164834397 720333099 /nfs/dbraw/zinc/33/30/99/720333099.db2.gz ZYVLJHYGXQFCCO-MOPGFXCFSA-N 1 0 424.593 3.167 20 0 HGADRO Cc1c(Cl)nc(C(C)C)nc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164829531 720350965 /nfs/dbraw/zinc/35/09/65/720350965.db2.gz SKDYIHOCDUOSCM-ZWKOTPCHSA-N 1 0 420.001 3.473 20 0 HGADRO CCOC(=O)c1cc2cccnc2nc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725400 720379804 /nfs/dbraw/zinc/37/98/04/720379804.db2.gz NFOLIKPSHNJBMZ-VQTJNVASSA-N 1 0 403.486 3.055 20 0 HGADRO Cc1nc(CO[C@@H]2CN(c3ccc(C[N@@H+](C)C4CC4)cn3)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164825781 720392121 /nfs/dbraw/zinc/39/21/21/720392121.db2.gz VIGJJECOEFKKEN-KCZVDYSFSA-N 1 0 414.575 3.394 20 0 HGADRO c1cncc(C[N@@H+]2CC[C@@H]3[C@H]2CCN3c2ccc(-c3ccc4c(c3)OCCO4)nn2)c1 ZINC001164734741 720442267 /nfs/dbraw/zinc/44/22/67/720442267.db2.gz TZXBXDOVVJNCPI-NHCUHLMSSA-N 1 0 415.497 3.163 20 0 HGADRO COC(=O)c1nc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c2ccccc2c1OC ZINC001164735070 720461063 /nfs/dbraw/zinc/46/10/63/720461063.db2.gz VMWBOBHGKAUJSN-UXHICEINSA-N 1 0 418.497 3.278 20 0 HGADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2ccc3c(Cl)ncnc3c2)C1 ZINC001164727775 720508631 /nfs/dbraw/zinc/50/86/31/720508631.db2.gz 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ZINC001164887199 721416689 /nfs/dbraw/zinc/41/66/89/721416689.db2.gz LJQWWMRZAJWMEC-KNQAVFIVSA-N 1 0 415.969 3.049 20 0 HGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncc5c(Cl)cccc5n4)C3)O2)CC1 ZINC001164888968 721417210 /nfs/dbraw/zinc/41/72/10/721417210.db2.gz PVXOBPDAQUMTGT-HTAPYJJXSA-N 1 0 415.969 3.049 20 0 HGADRO COc1ccc2ccc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nc2c1 ZINC001164885161 721419664 /nfs/dbraw/zinc/41/96/64/721419664.db2.gz GCDMAMWPDPPZGX-URXFXBBRSA-N 1 0 410.562 3.009 20 0 HGADRO CSc1cc(Cl)cnc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164898300 721430110 /nfs/dbraw/zinc/43/01/10/721430110.db2.gz VQLKUDZYNWPSNZ-XLIONFOSSA-N 1 0 411.015 3.222 20 0 HGADRO Cc1nc(C2CC2)nc(Cl)c1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164895373 721438157 /nfs/dbraw/zinc/43/81/57/721438157.db2.gz OCJCIDIORRNUHZ-GCJKJVERSA-N 1 0 420.001 3.081 20 0 HGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nccnc4Oc4ccccc4)C3)O2)CC1 ZINC001164889563 721443689 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408.974 3.051 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc3cnccc31)CC2 ZINC001164786838 721463035 /nfs/dbraw/zinc/46/30/35/721463035.db2.gz PTAWVICLXUDVMH-OAQYLSRUSA-N 1 0 410.562 3.364 20 0 HGADRO COC(=O)c1cnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)cc1OC ZINC001164793825 721491209 /nfs/dbraw/zinc/49/12/09/721491209.db2.gz XQIFRGRZHMKISV-UHFFFAOYSA-N 1 0 410.518 3.153 20 0 HGADRO CN(C)c1cc(Cl)nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164793033 721496181 /nfs/dbraw/zinc/49/61/81/721496181.db2.gz ZZRFFCBOMNFTJP-UHFFFAOYSA-N 1 0 400.958 3.472 20 0 HGADRO CC(C)c1nc(N(C)C)nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164792857 721497201 /nfs/dbraw/zinc/49/72/01/721497201.db2.gz UBPOYRUMKUDIGV-UHFFFAOYSA-N 1 0 409.582 3.337 20 0 HGADRO CCCNC(=O)c1cccnc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795934 721500002 /nfs/dbraw/zinc/50/00/02/721500002.db2.gz NOSIILSQECOKJY-UHFFFAOYSA-N 1 0 407.562 3.497 20 0 HGADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N3CCSCC3)ncn1)CC2 ZINC001164796809 721502332 /nfs/dbraw/zinc/50/23/32/721502332.db2.gz YWBLDWNYVMTOEJ-UHFFFAOYSA-N 1 0 424.618 3.306 20 0 HGADRO CCOC(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164901056 721508576 /nfs/dbraw/zinc/50/85/76/721508576.db2.gz WFPFUHCKFXFWDS-SJLPKXTDSA-N 1 0 419.884 3.393 20 0 HGADRO CCOC(=O)/C=C\c1cccnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164902236 721513153 /nfs/dbraw/zinc/51/31/53/721513153.db2.gz ZZNUCMNUTZVNKX-VXAHRBNNSA-N 1 0 411.477 3.139 20 0 HGADRO COC(=O)c1cc(Cl)cnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164897062 721513678 /nfs/dbraw/zinc/51/36/78/721513678.db2.gz DMORBQPMIUKFQP-NVXWUHKLSA-N 1 0 405.857 3.003 20 0 HGADRO COC(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164900661 721514705 /nfs/dbraw/zinc/51/47/05/721514705.db2.gz SORNLRDCRBXZTC-NVXWUHKLSA-N 1 0 405.857 3.003 20 0 HGADRO Cc1ccc2c(c1)nc(Cl)cc2N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164799223 721515115 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VOIZYFCDMLNORM-WMZOPIPTSA-N 1 0 409.440 3.159 20 0 HGADRO Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)nn1 ZINC001164911394 721555002 /nfs/dbraw/zinc/55/50/02/721555002.db2.gz ZBTCGYFJZZCFHE-GDBMZVCRSA-N 1 0 412.843 3.464 20 0 HGADRO Cc1nc(-c2ccncc2)cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164909713 721558722 /nfs/dbraw/zinc/55/87/22/721558722.db2.gz UPMBTXSAPYDAQD-TZIWHRDSSA-N 1 0 405.477 3.328 20 0 HGADRO CCOC(=O)c1c(C)cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1C ZINC001164805408 721562633 /nfs/dbraw/zinc/56/26/33/721562633.db2.gz NRVPBORBNQNGEZ-ZRCGQRJVSA-N 1 0 424.545 3.138 20 0 HGADRO COc1cc2c(cc1F)ncnc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164809862 721566644 /nfs/dbraw/zinc/56/66/44/721566644.db2.gz XPHDLIIFFGOUHV-ONTIZHBOSA-N 1 0 423.492 3.041 20 0 HGADRO CCCN(CCC)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)ncn1 ZINC001164802916 721567556 /nfs/dbraw/zinc/56/75/56/721567556.db2.gz ISLDEUIWUIXTSY-HFMPRLQTSA-N 1 0 424.593 3.366 20 0 HGADRO Cc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(-c2ccncc2)n1 ZINC001164806229 721575511 /nfs/dbraw/zinc/57/55/11/721575511.db2.gz PJLNNGMAOSBEMX-GIWBLDEGSA-N 1 0 416.529 3.110 20 0 HGADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCO[C@]3(CCCN(c4cnccn4)C3)C2)nc1 ZINC001164903410 721580851 /nfs/dbraw/zinc/58/08/51/721580851.db2.gz NENITASZZFGSGW-URXFXBBRSA-N 1 0 422.577 3.294 20 0 HGADRO COc1nc(Cl)cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907915 721584760 /nfs/dbraw/zinc/58/47/60/721584760.db2.gz WJUASIKSIKYLEO-SFHVURJKSA-N 1 0 409.868 3.271 20 0 HGADRO COc1cnc(SC)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908494 721585515 /nfs/dbraw/zinc/58/55/15/721585515.db2.gz ZNCNPGXNMGCCOL-IBGZPJMESA-N 1 0 421.517 3.340 20 0 HGADRO COC(=O)c1ccc(C)nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908415 721586890 /nfs/dbraw/zinc/58/68/90/721586890.db2.gz ZAGGPWDJXIPNRN-OAQYLSRUSA-N 1 0 416.472 3.309 20 0 HGADRO FC1(F)CCN(c2nc(Cl)nc3c2COC3)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164905547 721695132 /nfs/dbraw/zinc/69/51/32/721695132.db2.gz JUTMXFGTYCCQAA-LJQANCHMSA-N 1 0 421.879 3.293 20 0 HGADRO FC(F)Oc1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164907634 721712902 /nfs/dbraw/zinc/71/29/02/721712902.db2.gz SCFYORZCSYSDBJ-SFHVURJKSA-N 1 0 411.403 3.211 20 0 HGADRO CC(=O)Nc1c(C)ccnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904848 721720633 /nfs/dbraw/zinc/72/06/33/721720633.db2.gz DKHQLVHFUJFYFF-OAQYLSRUSA-N 1 0 415.488 3.481 20 0 HGADRO c1ccc(C[N@@H+]2CCc3nc(N4C[C@H](OCC5CC5)[C@@H]5COC[C@@H]54)ccc3C2)cc1 ZINC001165016477 721761477 /nfs/dbraw/zinc/76/14/77/721761477.db2.gz WVPQAZWBLZHWRH-NHTMILBNSA-N 1 0 405.542 3.270 20 0 HGADRO c1ccc(C[N@@H+]2CCc3nc(N4C[C@H](OCC5CC5)[C@H]5COC[C@H]54)ccc3C2)cc1 ZINC001165016479 721761669 /nfs/dbraw/zinc/76/16/69/721761669.db2.gz WVPQAZWBLZHWRH-QTJGBDASSA-N 1 0 405.542 3.270 20 0 HGADRO COC(=O)c1cnc(Cl)nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165021348 721801210 /nfs/dbraw/zinc/80/12/10/721801210.db2.gz GKZKFUJGXLZJGX-BMGDILEWSA-N 1 0 415.925 3.049 20 0 HGADRO Cn1c(=O)ccc2ccc(N3C[C@H]4[C@@H](C3)CCC[C@H]4[N@H+](C)Cc3ccccn3)nc21 ZINC001165021620 721813114 /nfs/dbraw/zinc/81/31/14/721813114.db2.gz FHKIIPGWRASELY-HLAWJBBLSA-N 1 0 403.530 3.065 20 0 HGADRO CN(C)c1cc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165026863 721814410 /nfs/dbraw/zinc/81/44/10/721814410.db2.gz RUMHQRYCZMWCHB-SZMVWBNQSA-N 1 0 400.958 3.328 20 0 HGADRO CCOc1ccc(C(=O)OC)c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165026420 721815686 /nfs/dbraw/zinc/81/56/86/721815686.db2.gz PZSITEOITBUDHG-DZFGPLHGSA-N 1 0 424.545 3.399 20 0 HGADRO CCCNC(=O)c1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1 ZINC001165030509 721824582 /nfs/dbraw/zinc/82/45/82/721824582.db2.gz ZNMKCWXXAHNPJH-BVSLBCMMSA-N 1 0 407.562 3.353 20 0 HGADRO COC(=O)c1nc(Cl)cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165030220 721827588 /nfs/dbraw/zinc/82/75/88/721827588.db2.gz ZBGWZNQREUUBBB-BHYGNILZSA-N 1 0 415.925 3.049 20 0 HGADRO CCS(=O)(=O)c1ccnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165026103 721832104 /nfs/dbraw/zinc/83/21/04/721832104.db2.gz OEQHBUSWZLXTJG-WMQCIHAUSA-N 1 0 414.575 3.007 20 0 HGADRO COC(=O)c1ccc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nc1C ZINC001165019345 721840331 /nfs/dbraw/zinc/84/03/31/721840331.db2.gz DVOQCIMRPWMYQL-UHFFFAOYSA-N 1 0 413.518 3.295 20 0 HGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)[C@@H](F)Oc2ccc(Cl)nn2)CC1 ZINC001165031226 721845138 /nfs/dbraw/zinc/84/51/38/721845138.db2.gz YUBDFPKTGLGZAV-HXUWFJFHSA-N 1 0 424.904 3.376 20 0 HGADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1nc2ccsc2c(Cl)n1 ZINC001164931805 721854697 /nfs/dbraw/zinc/85/46/97/721854697.db2.gz WFRDSIXHXANPRH-QWHCGFSZSA-N 1 0 401.914 3.104 20 0 HGADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[NH+](C4CCCC4)CC3)nc2N1C1CCCC1 ZINC001165027975 721856391 /nfs/dbraw/zinc/85/63/91/721856391.db2.gz FLHXAWMFOQTNMZ-LJQANCHMSA-N 1 0 412.582 3.045 20 0 HGADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1nc(Cl)c2cc(F)ccc2n1 ZINC001164931246 721861778 /nfs/dbraw/zinc/86/17/78/721861778.db2.gz UMPRLILEJGSBAB-HZPDHXFCSA-N 1 0 413.875 3.182 20 0 HGADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ncnc2cc(OCc3ccccc3)ccc21 ZINC001164934400 721887985 /nfs/dbraw/zinc/88/79/85/721887985.db2.gz RILKHGWLICZWEB-ZEQRLZLVSA-N 1 0 417.557 3.423 20 0 HGADRO Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1 ZINC001164929618 721888274 /nfs/dbraw/zinc/88/82/74/721888274.db2.gz BXCVIGRQAAGXFF-ZWKOTPCHSA-N 1 0 401.942 3.445 20 0 HGADRO COc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1 ZINC001164932573 721888825 /nfs/dbraw/zinc/88/88/25/721888825.db2.gz JEXDYKRJIVQUIY-ZWKOTPCHSA-N 1 0 417.941 3.146 20 0 HGADRO O=C(Nc1cccc(Cl)c1)c1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)nc1 ZINC000674061587 721919008 /nfs/dbraw/zinc/91/90/08/721919008.db2.gz ARKPTBJWADCVHN-LJQANCHMSA-N 1 0 400.910 3.288 20 0 HGADRO COc1nc(Cl)cc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164940085 721921222 /nfs/dbraw/zinc/92/12/22/721921222.db2.gz YVDNSZAPSLAVNY-UHFFFAOYSA-N 1 0 402.926 3.318 20 0 HGADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4c(Cl)nccc4C(N)=O)CC3)C2)cc1 ZINC001164942279 721933374 /nfs/dbraw/zinc/93/33/74/721933374.db2.gz LCKYGNYPXMGNAT-UHFFFAOYSA-N 1 0 414.937 3.014 20 0 HGADRO Cc1ccc(C[N@@H+]2CCOC3(CCN([C@H](F)Oc4ccc(Cl)nn4)CC3)C2)cc1 ZINC001164944702 721933633 /nfs/dbraw/zinc/93/36/33/721933633.db2.gz UCAXRVYLYSZRDT-FQEVSTJZSA-N 1 0 420.916 3.437 20 0 HGADRO CCOC(=O)c1ccc2ncnc(N3CC[NH+](CCOc4ccccc4)CC3)c2c1 ZINC001165045518 721956270 /nfs/dbraw/zinc/95/62/70/721956270.db2.gz WSPDNZKDBRQSIG-UHFFFAOYSA-N 1 0 406.486 3.008 20 0 HGADRO CCOC(=O)[C@H]1CCCN(c2ccc(N3CCCC[C@H]3CC[NH+]3CCCC3)nn2)C1 ZINC001165047392 721975914 /nfs/dbraw/zinc/97/59/14/721975914.db2.gz GBCHIFBQYLWTJB-PMACEKPBSA-N 1 0 415.582 3.101 20 0 HGADRO Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(c3cccc(N4CC[NH+](C)CC4)n3)C[C@@H]21 ZINC001164952274 722004573 /nfs/dbraw/zinc/00/45/73/722004573.db2.gz MBNNJOPCEHFNEX-VQTJNVASSA-N 1 0 414.557 3.010 20 0 HGADRO CCOC(=O)c1cnc(C2CC2)nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164951815 722017865 /nfs/dbraw/zinc/01/78/65/722017865.db2.gz FIMYCWLMWJCXJR-UHFFFAOYSA-N 1 0 421.545 3.418 20 0 HGADRO CCOC(=O)c1cnc(CC)nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164962643 722023850 /nfs/dbraw/zinc/02/38/50/722023850.db2.gz QKOSVJFHRFWEBV-UHFFFAOYSA-N 1 0 409.534 3.103 20 0 HGADRO Cc1cccc(COC[C@]23CCCO[C@H]2CCN(c2cc(C[NH+](C)C)ccn2)C3)n1 ZINC001164962723 722027461 /nfs/dbraw/zinc/02/74/61/722027461.db2.gz ROBZAFYRYYSJSJ-LADGPHEKSA-N 1 0 410.562 3.439 20 0 HGADRO Clc1nc2cnccc2c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164964104 722054903 /nfs/dbraw/zinc/05/49/03/722054903.db2.gz RIILKFYVRDCJAA-UHFFFAOYSA-N 1 0 424.936 3.192 20 0 HGADRO COc1cc(Cl)ncc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962341 722054928 /nfs/dbraw/zinc/05/49/28/722054928.db2.gz DDPNZUPSFYNUAK-UHFFFAOYSA-N 1 0 402.926 3.258 20 0 HGADRO FC(F)(c1cnnc(Cl)c1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164964520 722056258 /nfs/dbraw/zinc/05/62/58/722056258.db2.gz VIYQZCUYPDMYCU-UHFFFAOYSA-N 1 0 423.895 3.189 20 0 HGADRO CCc1c(Cl)ncnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164961661 722060487 /nfs/dbraw/zinc/06/04/87/722060487.db2.gz NSCFMDGLGXVJQK-UHFFFAOYSA-N 1 0 401.942 3.206 20 0 HGADRO C[C@H]1CCc2nnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)cc2C1 ZINC001164963413 722061200 /nfs/dbraw/zinc/06/12/00/722061200.db2.gz YXRNNFUXPHZSIG-IBGZPJMESA-N 1 0 407.562 3.115 20 0 HGADRO Cc1cc2cccnc2c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164961688 722061471 /nfs/dbraw/zinc/06/14/71/722061471.db2.gz OFUNVGOHHNRKRC-UHFFFAOYSA-N 1 0 403.530 3.452 20 0 HGADRO c1csc(-c2noc(-c3ccnc(N4C[C@@H]5C[N@H+](CC6CC6)C[C@H](C4)O5)c3)n2)c1 ZINC001164968111 722076496 /nfs/dbraw/zinc/07/64/96/722076496.db2.gz QYDYUDXYRQQMAX-CALCHBBNSA-N 1 0 409.515 3.160 20 0 HGADRO COc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164968256 722077804 /nfs/dbraw/zinc/07/78/04/722077804.db2.gz XXBUCZDORKRXNN-IYBDPMFKSA-N 1 0 416.909 3.230 20 0 HGADRO c1ccc(Oc2cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncn2)cc1 ZINC001164979344 722105699 /nfs/dbraw/zinc/10/56/99/722105699.db2.gz ICNDKDLLEBSEER-IFMALSPDSA-N 1 0 417.513 3.391 20 0 HGADRO c1ccc(Oc2cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncn2)cc1 ZINC001164979348 722105851 /nfs/dbraw/zinc/10/58/51/722105851.db2.gz ICNDKDLLEBSEER-IRLDBZIGSA-N 1 0 417.513 3.391 20 0 HGADRO Clc1nnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c2sccc21 ZINC001164979318 722106996 /nfs/dbraw/zinc/10/69/96/722106996.db2.gz IAEUIFVZASTYSY-WBVHZDCISA-N 1 0 415.950 3.467 20 0 HGADRO Clc1nc2ccccc2nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972567 722110470 /nfs/dbraw/zinc/11/04/70/722110470.db2.gz GBGDLZYDYDLCRI-FXAWDEMLSA-N 1 0 409.921 3.406 20 0 HGADRO Clc1nc2ccccc2nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972571 722110825 /nfs/dbraw/zinc/11/08/25/722110825.db2.gz GBGDLZYDYDLCRI-PXNSSMCTSA-N 1 0 409.921 3.406 20 0 HGADRO Fc1ccc(-c2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164971886 722113843 /nfs/dbraw/zinc/11/38/43/722113843.db2.gz DAWSLIUCNQDMNH-NFBKMPQASA-N 1 0 419.504 3.405 20 0 HGADRO Clc1cccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncc12 ZINC001164975109 722123249 /nfs/dbraw/zinc/12/32/49/722123249.db2.gz JLCPAMYMXYSYAU-UTKZUKDTSA-N 1 0 409.921 3.406 20 0 HGADRO CC(C)(C)c1nc2[nH]ccc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164975199 722135930 /nfs/dbraw/zinc/13/59/30/722135930.db2.gz FQVPZPGWTKNJKV-ICSRJNTNSA-N 1 0 420.561 3.378 20 0 HGADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ccc(-c5ccncc5)cn4)CC[C@H]3C2)c1 ZINC001164985472 722138342 /nfs/dbraw/zinc/13/83/42/722138342.db2.gz ZPGZUAMJQJUGRO-GOTSBHOMSA-N 1 0 401.514 3.266 20 0 HGADRO Cc1nc(C2CC2)nc(Cl)c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973129 722144468 /nfs/dbraw/zinc/14/44/68/722144468.db2.gz BAPRDOZEDRUVFW-MOPGFXCFSA-N 1 0 413.953 3.438 20 0 HGADRO Fc1ccc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164976121 722145832 /nfs/dbraw/zinc/14/58/32/722145832.db2.gz HGYTXDWOHLMPFG-NZQKXSOJSA-N 1 0 419.504 3.405 20 0 HGADRO COc1ccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c(C)nc2c1 ZINC001164976072 722146235 /nfs/dbraw/zinc/14/62/35/722146235.db2.gz GYARHEFXVSRBGM-XXBNENTESA-N 1 0 419.529 3.069 20 0 HGADRO C[NH+]1CCN(c2cccc(N3CC[C@H](OCC4CC4)[C@@H]3Cc3ccccc3)n2)CC1 ZINC001165006840 722271807 /nfs/dbraw/zinc/27/18/07/722271807.db2.gz RLWUDEIWNACUEY-GOTSBHOMSA-N 1 0 406.574 3.450 20 0 HGADRO Cc1cccc(C[C@H](CO)[NH2+]Cc2ccc(OCCN3CCOCC3)c(Cl)c2)c1 ZINC000466910411 1126093983 /nfs/dbraw/zinc/09/39/83/1126093983.db2.gz GPAUSAGOMHXTNQ-OAQYLSRUSA-N 1 0 418.965 3.053 20 0 HGADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1 ZINC000466910696 1126094028 /nfs/dbraw/zinc/09/40/28/1126094028.db2.gz WQLYRKJMJGFOJQ-OAQYLSRUSA-N 1 0 407.514 3.250 20 0 HGADRO OC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000480481965 1126094930 /nfs/dbraw/zinc/09/49/30/1126094930.db2.gz XBJGSRHBIYYCPF-IBGZPJMESA-N 1 0 423.326 3.118 20 0 HGADRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1nnnn1-c1ccc(OC(F)F)cc1 ZINC001176599615 1126150353 /nfs/dbraw/zinc/15/03/53/1126150353.db2.gz PFWXRMIJHXBUPK-LJQANCHMSA-N 1 0 423.851 3.000 20 0 HGADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cnc(C2OCCO2)s1 ZINC001179277774 1126151866 /nfs/dbraw/zinc/15/18/66/1126151866.db2.gz MXJDMIQFKVYQAW-QGZVFWFLSA-N 1 0 413.337 3.034 20 0 HGADRO COCCN(C)c1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)cn1 ZINC001203282676 1126158027 /nfs/dbraw/zinc/15/80/27/1126158027.db2.gz ISDVSLQGUVWJJO-HXUWFJFHSA-N 1 0 422.367 3.010 20 0 HGADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC001462470308 1126197603 /nfs/dbraw/zinc/19/76/03/1126197603.db2.gz GCDVLUYZDUPZPA-DEOSSOPVSA-N 1 0 408.498 3.464 20 0 HGADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1nc2ccc(Br)cc2n1C ZINC001560102352 1126208044 /nfs/dbraw/zinc/20/80/44/1126208044.db2.gz LYPRWVJYIDXZHG-HXUWFJFHSA-N 1 0 418.335 3.428 20 0 HGADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC001560548594 1126212814 /nfs/dbraw/zinc/21/28/14/1126212814.db2.gz UJMIROBFRLRTKQ-XMMPIXPASA-N 1 0 408.498 3.464 20 0 HGADRO CCCOc1c(Br)cc(Br)cc1C[NH2+]CCOCCO ZINC000020929885 558423948 /nfs/dbraw/zinc/42/39/48/558423948.db2.gz PSWIRPSLBPJPDF-UHFFFAOYSA-N 1 0 411.134 3.099 20 0 HGADRO Cc1cc(C)c2c(n1)sc(C(=O)NCCCN1CC[NH+](C)CC1)c2-n1cccc1 ZINC000020465939 568610372 /nfs/dbraw/zinc/61/03/72/568610372.db2.gz FGRNMYXLHLYMHL-UHFFFAOYSA-N 1 0 411.575 3.071 20 0 HGADRO FC(F)(c1nc2cc(Cl)c(Cl)cc2nc1Cl)N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164399351 718835166 /nfs/dbraw/zinc/83/51/66/718835166.db2.gz UFISFLQTNCTLGX-SECBINFHSA-N 1 0 422.694 3.229 20 0 HGADRO FC(F)(Oc1ccc2nc(Cl)c(Cl)nc2c1)N1CCO[C@H]2C[NH2+]CC[C@H]2C1 ZINC001164404295 718862392 /nfs/dbraw/zinc/86/23/92/718862392.db2.gz PGPFUHLIFQCAMH-HZMBPMFUSA-N 1 0 419.259 3.176 20 0 HGADRO FC(F)(c1ccc2c(ccnc2Cl)c1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164415411 718885787 /nfs/dbraw/zinc/88/57/87/718885787.db2.gz IHLNKMDRYMBWRO-UHFFFAOYSA-N 1 0 404.852 3.124 20 0 HGADRO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1C[C@@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164428256 718946609 /nfs/dbraw/zinc/94/66/09/718946609.db2.gz IQFRMEAWRVMPFO-CABCVRRESA-N 1 0 403.820 3.406 20 0 HGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc(-c2ccc(Cl)nn2)cc1 ZINC001164619639 719018134 /nfs/dbraw/zinc/01/81/34/719018134.db2.gz WMEDQTWJQYWVRE-COXVUDFISA-N 1 0 422.863 3.072 20 0 HGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc(Cl)nc1C(F)(F)F ZINC001164620178 719018794 /nfs/dbraw/zinc/01/87/94/719018794.db2.gz YAMZJQUDAKMFRO-INTQDDNPSA-N 1 0 413.774 3.029 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nnc(Cl)c(CC)c3CC)CC2)CC1 ZINC001164617573 719027510 /nfs/dbraw/zinc/02/75/10/719027510.db2.gz OYGHVGHRVAGPMY-UHFFFAOYSA-N 1 0 408.974 3.499 20 0 HGADRO C=Cc1nc(Cl)nc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)c1OC ZINC001164618584 719030636 /nfs/dbraw/zinc/03/06/36/719030636.db2.gz ZCXQOQKWLFRCBG-UHFFFAOYSA-N 1 0 408.930 3.026 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(C)nc(-c4ccncc4)n3)CC2)CC1 ZINC001164618642 719031386 /nfs/dbraw/zinc/03/13/86/719031386.db2.gz XBHNASJQADNJLG-UHFFFAOYSA-N 1 0 409.534 3.091 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(-c4ccncc4)nc(C)n3)CC2)CC1 ZINC001164618004 719033081 /nfs/dbraw/zinc/03/30/81/719033081.db2.gz QVHBXDCRAFXKJN-UHFFFAOYSA-N 1 0 409.534 3.091 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(-c4ccsc4)nn3)CC2)CC1 ZINC001164617197 719033785 /nfs/dbraw/zinc/03/37/85/719033785.db2.gz JPJCDGCQAKOIMU-UHFFFAOYSA-N 1 0 400.548 3.449 20 0 HGADRO CN(C)c1cc(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc(Cl)n1 ZINC001164628726 719049119 /nfs/dbraw/zinc/04/91/19/719049119.db2.gz ZMUSTPVTYOOQDG-DNVCBOLYSA-N 1 0 407.896 3.324 20 0 HGADRO CCOC(=O)c1nnc(Cl)cc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164625810 719073727 /nfs/dbraw/zinc/07/37/27/719073727.db2.gz NHLSFVOGJMWHTC-WMZOPIPTSA-N 1 0 400.910 3.408 20 0 HGADRO CON(C)C(=O)c1cc(Cl)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164620427 719080627 /nfs/dbraw/zinc/08/06/27/719080627.db2.gz DXPATNRNIPTXCG-MJGOQNOKSA-N 1 0 414.937 3.469 20 0 HGADRO O=c1ccccn1Cc1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC001164632562 719101283 /nfs/dbraw/zinc/10/12/83/719101283.db2.gz ZRSWAQPOPNBMRV-GOTSBHOMSA-N 1 0 400.526 3.392 20 0 HGADRO CC(C)N(C)Cc1nn(-c2ncnc3sc4c(c32)CC[C@H](C)C4)c2c1CC[NH2+]C2 ZINC001164683650 719620867 /nfs/dbraw/zinc/62/08/67/719620867.db2.gz UHXDYQGIPTVAQZ-AWEZNQCLSA-N 1 0 410.591 3.488 20 0 HGADRO Cc1ccnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164680961 719653178 /nfs/dbraw/zinc/65/31/78/719653178.db2.gz JZLIIAWNWKXQIW-FQEVSTJZSA-N 1 0 406.574 3.483 20 0 HGADRO COC(=O)c1cc(F)c(C)nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164697605 719892576 /nfs/dbraw/zinc/89/25/76/719892576.db2.gz LWGSEPYPNOKQND-UHFFFAOYSA-N 1 0 419.522 3.249 20 0 HGADRO CCOC(=O)c1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)ncc1C ZINC001164696214 719893255 /nfs/dbraw/zinc/89/32/55/719893255.db2.gz CGFDHPADMHAZFO-UHFFFAOYSA-N 1 0 415.559 3.500 20 0 HGADRO CCOC(=O)c1c(C)ccnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164698410 719896203 /nfs/dbraw/zinc/89/62/03/719896203.db2.gz SKHHUMLRPDFXGL-UHFFFAOYSA-N 1 0 415.559 3.500 20 0 HGADRO CCOC(=O)c1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)ncc1Cl ZINC001164814247 720077334 /nfs/dbraw/zinc/07/73/34/720077334.db2.gz WIUBOTWRSROELX-IIBYNOLFSA-N 1 0 407.942 3.096 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1COC3(C)C)C2 ZINC001164814862 720094841 /nfs/dbraw/zinc/09/48/41/720094841.db2.gz XMSSMMOYBUVHNX-QVKFZJNVSA-N 1 0 406.958 3.080 20 0 HGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1c(Cl)nncc1OC)CC2 ZINC001164718080 720116107 /nfs/dbraw/zinc/11/61/07/720116107.db2.gz RLELJDPBQCNVDP-QGZVFWFLSA-N 1 0 417.941 3.041 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3[nH]c(C)c(C)c31)CC2 ZINC001164718050 720120381 /nfs/dbraw/zinc/12/03/81/720120381.db2.gz RBGOQGLGDCQQRS-FQEVSTJZSA-N 1 0 420.561 3.477 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)cc1N)C2 ZINC001164811562 720121937 /nfs/dbraw/zinc/12/19/37/720121937.db2.gz MLZBNHPZGAMDTQ-KDOFPFPSSA-N 1 0 400.901 3.047 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc3ccc(OC)nc31)C2 ZINC001164814967 720123746 /nfs/dbraw/zinc/12/37/46/720123746.db2.gz UTUKHQPWVPPNDL-OPAMFIHVSA-N 1 0 416.953 3.477 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)COc1cccc(Cl)n1)C2 ZINC001164815860 720137201 /nfs/dbraw/zinc/13/72/01/720137201.db2.gz WLNGXAPZHSPWFK-VQIMIIECSA-N 1 0 415.912 3.387 20 0 HGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc(OCc3ccccc3)cn1)C2 ZINC001164816717 720149276 /nfs/dbraw/zinc/14/92/76/720149276.db2.gz MGJIFPAVCBPGHB-URXFXBBRSA-N 1 0 408.546 3.240 20 0 HGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccnc1OC1CCC1)CC2 ZINC001164711713 720151939 /nfs/dbraw/zinc/15/19/39/720151939.db2.gz IGZUUXKVMOUEDS-HXUWFJFHSA-N 1 0 423.561 3.310 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nc(=S)[nH]1)C2 ZINC001164818130 720152015 /nfs/dbraw/zinc/15/20/15/720152015.db2.gz RVGKBGYROHHJPD-CXAGYDPISA-N 1 0 418.941 3.148 20 0 HGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3ccccc3nc1N1CCCC1)C2 ZINC001164817431 720160931 /nfs/dbraw/zinc/16/09/31/720160931.db2.gz PIOMHQPAUZOWKR-NLFFAJNJSA-N 1 0 421.589 3.415 20 0 HGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(Oc3ccccc3)ncn1)CCC2 ZINC001164812846 720214014 /nfs/dbraw/zinc/21/40/14/720214014.db2.gz MNJGKLVOFAWDKQ-UHFFFAOYSA-N 1 0 420.517 3.076 20 0 HGADRO CCc1c(Cl)nnc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1CC ZINC001164814099 720224318 /nfs/dbraw/zinc/22/43/18/720224318.db2.gz TVIVADQXBMCKHA-UHFFFAOYSA-N 1 0 418.973 3.062 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cccc(Cl)n2)CC1 ZINC001164819627 720289419 /nfs/dbraw/zinc/28/94/19/720289419.db2.gz FIQDCDVMLUMOQK-JKSUJKDBSA-N 1 0 412.912 3.191 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3ccc(Cl)cc32)CC1 ZINC001164820051 720302526 /nfs/dbraw/zinc/30/25/26/720302526.db2.gz GOUHPNFDGGVIRD-VQTJNVASSA-N 1 0 413.953 3.195 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(Cl)nc3c2CCC3)CC1 ZINC001164823935 720306632 /nfs/dbraw/zinc/30/66/32/720306632.db2.gz QSQZZOPRTIGBOZ-RTBURBONSA-N 1 0 402.970 3.135 20 0 HGADRO COc1ccc2ccc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2c1 ZINC001164827924 720325270 /nfs/dbraw/zinc/32/52/70/720325270.db2.gz JAQIQKMUOSNBTH-VXKWHMMOSA-N 1 0 408.546 3.155 20 0 HGADRO CSc1cc(Cl)cnc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164830860 720334615 /nfs/dbraw/zinc/33/46/15/720334615.db2.gz QEADXCXRRIYESJ-IRXDYDNUSA-N 1 0 408.999 3.368 20 0 HGADRO COc1cccc2c1ccnc2N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164831612 720343918 /nfs/dbraw/zinc/34/39/18/720343918.db2.gz YYVCSOKMHPNNTA-SFTDATJTSA-N 1 0 408.546 3.155 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(-c3cccc(F)c3)nn2)CC1 ZINC001164831586 720344689 /nfs/dbraw/zinc/34/46/89/720344689.db2.gz YUNMUHYYTXGVSZ-YADHBBJMSA-N 1 0 423.536 3.194 20 0 HGADRO Cc1c(Cl)nc(C(C)C)nc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164829528 720350919 /nfs/dbraw/zinc/35/09/19/720350919.db2.gz SKDYIHOCDUOSCM-MSOLQXFVSA-N 1 0 420.001 3.473 20 0 HGADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727073 720386256 /nfs/dbraw/zinc/38/62/56/720386256.db2.gz QFEAVNREQVDLBY-RTBURBONSA-N 1 0 423.904 3.318 20 0 HGADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2nc(Cl)c3cccc(F)c3n2)C1 ZINC001164731339 720509801 /nfs/dbraw/zinc/50/98/01/720509801.db2.gz PVKONIDNERNTHW-LBPRGKRZSA-N 1 0 424.858 3.362 20 0 HGADRO CCOC(=O)/C=C\c1cccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164832351 720512107 /nfs/dbraw/zinc/51/21/07/720512107.db2.gz ACAZYTDGOPHQRA-SFGMSGFVSA-N 1 0 423.561 3.232 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3CCC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840789 720515683 /nfs/dbraw/zinc/51/56/83/720515683.db2.gz XNIQFOCJFAQDEV-TXPKVOOTSA-N 1 0 400.958 3.193 20 0 HGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nnc(Cl)c4ccncc43)CC[C@@H]21 ZINC001164841575 720516598 /nfs/dbraw/zinc/51/65/98/720516598.db2.gz YZEMEADUTLKVMX-GJYPPUQNSA-N 1 0 411.941 3.253 20 0 HGADRO COC(=O)c1cc(Cl)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164834018 720519959 /nfs/dbraw/zinc/51/99/59/720519959.db2.gz FDYGIGISHSOWSQ-SZVBFZGTSA-N 1 0 417.941 3.096 20 0 HGADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cc(F)ccc2Oc2ccc(Cl)nn2)C1 ZINC001164735185 720523721 /nfs/dbraw/zinc/52/37/21/720523721.db2.gz VVZINEVOJLGFRT-CQSZACIVSA-N 1 0 416.888 3.456 20 0 HGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc4ncccc4nc3Cl)CC[C@@H]21 ZINC001164843067 720542724 /nfs/dbraw/zinc/54/27/24/720542724.db2.gz ZWDCCNHNKQQDFU-BQFCYCMXSA-N 1 0 411.941 3.253 20 0 HGADRO COc1nc(Cl)nc(C)c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164841468 720545602 /nfs/dbraw/zinc/54/56/02/720545602.db2.gz WAMKGHAHTPPYQX-IXDOHACOSA-N 1 0 404.946 3.021 20 0 HGADRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)COc1cncc(Cl)n1 ZINC001164735000 720546414 /nfs/dbraw/zinc/54/64/14/720546414.db2.gz MGPYMKVQTKIZNU-ZDUSSCGKSA-N 1 0 404.889 3.113 20 0 HGADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1nc2[nH]cnc2c(Cl)n1 ZINC001164734925 720546523 /nfs/dbraw/zinc/54/65/23/720546523.db2.gz LJCWEWGFUQJSQS-LLVKDONJSA-N 1 0 414.888 3.019 20 0 HGADRO COc1nnc(Cl)cc1C(F)(F)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001164734103 720547788 /nfs/dbraw/zinc/54/77/88/720547788.db2.gz UONVNPPWUOCLIH-LBPRGKRZSA-N 1 0 404.889 3.200 20 0 HGADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccnc(-c4cccnc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835440 720556979 /nfs/dbraw/zinc/55/69/79/720556979.db2.gz 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20 0 HGADRO C[NH+](C)Cc1ccnc(N2CC[C@@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)c1 ZINC001164878091 721259121 /nfs/dbraw/zinc/25/91/21/721259121.db2.gz SCSWKJQIZGQMAF-XUZZJYLKSA-N 1 0 408.546 3.091 20 0 HGADRO CCN1CC[C@]2(CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@H]2C)C1=O ZINC001164777168 721323504 /nfs/dbraw/zinc/32/35/04/721323504.db2.gz IVIJFNNYCIGNMY-JLTOFOAXSA-N 1 0 424.923 3.351 20 0 HGADRO Cc1cccc(N(c2nc(Cl)nc3c2CN(C)CC3)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164776057 721329318 /nfs/dbraw/zinc/32/93/18/721329318.db2.gz CEWGLANQEZPZTK-JTSKRJEESA-N 1 0 413.953 3.085 20 0 HGADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(F)c4cc[nH]c43)C2)C1 ZINC001164781397 721361555 /nfs/dbraw/zinc/36/15/55/721361555.db2.gz IXJOZSOVCHUIIP-JOCHJYFZSA-N 1 0 413.497 3.426 20 0 HGADRO COc1ccc2nc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)ccc2c1 ZINC001164890961 721401289 /nfs/dbraw/zinc/40/12/89/721401289.db2.gz UUGYKAGAZRSWAH-QPPBQGQZSA-N 1 0 410.562 3.009 20 0 HGADRO 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3.425 20 0 HGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C)cc1OC)CC2 ZINC001164782831 721463972 /nfs/dbraw/zinc/46/39/72/721463972.db2.gz CSWUFNCYGGDTSD-FQEVSTJZSA-N 1 0 403.567 3.133 20 0 HGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(Cl)c(N)n1)CC2 ZINC001164788760 721472755 /nfs/dbraw/zinc/47/27/55/721472755.db2.gz JSGBDKLNZDAOOS-QGZVFWFLSA-N 1 0 408.974 3.051 20 0 HGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2c(Cl)cc(Cl)nc2Cl)CC3)CC1 ZINC001164794242 721510472 /nfs/dbraw/zinc/51/04/72/721510472.db2.gz MAQPXZQTPGDJLZ-UHFFFAOYSA-N 1 0 415.756 3.006 20 0 HGADRO COC(=O)c1cnc(Cl)cc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900261 721511092 /nfs/dbraw/zinc/51/10/92/721511092.db2.gz PGBGVPIUZUOMIM-HOCLYGCPSA-N 1 0 405.857 3.003 20 0 HGADRO COc1cc2ncc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2cc1OC ZINC001164905202 721531174 /nfs/dbraw/zinc/53/11/74/721531174.db2.gz GNPSHJCHAWJTJF-SJLPKXTDSA-N 1 0 424.476 3.128 20 0 HGADRO 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COc1cccc2c(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)cc(Cl)nc12 ZINC001165008051 721729424 /nfs/dbraw/zinc/72/94/24/721729424.db2.gz JEGHRYJKTQZLLA-UHFFFAOYSA-N 1 0 416.953 3.420 20 0 HGADRO Cc1cc2c(nc(Cl)nc2N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)s1 ZINC001165011918 721735037 /nfs/dbraw/zinc/73/50/37/721735037.db2.gz XMXHXZBJOHMIBT-UHFFFAOYSA-N 1 0 407.971 3.176 20 0 HGADRO Cc1cc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C(N)=O ZINC001165024692 721801745 /nfs/dbraw/zinc/80/17/45/721801745.db2.gz MRIGYDCUUOKQAZ-JQHSSLGASA-N 1 0 413.953 3.274 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)c(F)cc3C(N)=O)C[C@H]21 ZINC001165018699 721806492 /nfs/dbraw/zinc/80/64/92/721806492.db2.gz BYBKQXWCAYJMSV-FDQGKXFDSA-N 1 0 417.916 3.105 20 0 HGADRO COC(=O)c1c[nH]c2nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)ccc12 ZINC001165024707 721807303 /nfs/dbraw/zinc/80/73/03/721807303.db2.gz MRKCSQADHSSDJS-DQLDELGASA-N 1 0 419.529 3.481 20 0 HGADRO COCc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(SC)n1 ZINC001165026883 721811219 /nfs/dbraw/zinc/81/12/19/721811219.db2.gz SAPWQBJMRKXYIV-VDGAXYAQSA-N 1 0 413.591 3.477 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH]c4cc(=O)[nH]c-4cc3Cl)C[C@@H]21 ZINC001165022721 721813987 /nfs/dbraw/zinc/81/39/87/721813987.db2.gz GWBKJKNKYLBXIH-PTSWNOGYSA-N 1 0 411.937 3.362 20 0 HGADRO CCOC(=O)c1cnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(OC)c1 ZINC001165024234 721817105 /nfs/dbraw/zinc/81/71/05/721817105.db2.gz KAAQAKQEIUTMLT-WMQCIHAUSA-N 1 0 424.545 3.399 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3ncn4C3CC3)C[C@@H]21 ZINC001165024436 721825008 /nfs/dbraw/zinc/82/50/08/721825008.db2.gz JVRSQVFZMPNRPB-LSTHTHJFSA-N 1 0 403.534 3.293 20 0 HGADRO COC(=O)c1nc(Cl)cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165030222 721827548 /nfs/dbraw/zinc/82/75/48/721827548.db2.gz ZBGWZNQREUUBBB-USXIJHARSA-N 1 0 415.925 3.049 20 0 HGADRO 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CCOC(=O)c1ccnc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001164939219 721921102 /nfs/dbraw/zinc/92/11/02/721921102.db2.gz SVKPYRZFMPPKBX-UHFFFAOYSA-N 1 0 409.530 3.438 20 0 HGADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4[nH+][n-]c(Cl)c5ncnc4-5)CC3)C2)cc1 ZINC001164939160 721927738 /nfs/dbraw/zinc/92/77/38/721927738.db2.gz JOJOYUUFVKXYSA-UHFFFAOYSA-N 1 0 412.925 3.186 20 0 HGADRO COc1cnc2c(c1)ncnc2N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164938697 721929780 /nfs/dbraw/zinc/92/97/80/721929780.db2.gz DUSXYJIMODBLIU-UHFFFAOYSA-N 1 0 419.529 3.213 20 0 HGADRO CCn1cnc2c1ncnc2N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164938594 721931063 /nfs/dbraw/zinc/93/10/63/721931063.db2.gz AAYSIXCBZDHZCY-UHFFFAOYSA-N 1 0 406.534 3.026 20 0 HGADRO CCOC(=O)Cc1ccnc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001164945381 721933746 /nfs/dbraw/zinc/93/37/46/721933746.db2.gz WCFLALNYQJCPJD-UHFFFAOYSA-N 1 0 423.557 3.367 20 0 HGADRO COC(=O)/C=C\c1cc(C)cnc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955834 722020680 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3.396 20 0 HGADRO Clc1nnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c2ccccc12 ZINC001164984135 722103996 /nfs/dbraw/zinc/10/39/96/722103996.db2.gz RUDFFNDYBAKUKF-FXAWDEMLSA-N 1 0 409.921 3.406 20 0 HGADRO CC(C)(C)OC(=O)c1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164986631 722104435 /nfs/dbraw/zinc/10/44/35/722104435.db2.gz ZQRFUTZOTRQEHF-NHCUHLMSSA-N 1 0 424.545 3.159 20 0 HGADRO Clc1ccnc2c1ccnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975477 722104627 /nfs/dbraw/zinc/10/46/27/722104627.db2.gz BZHNETSATLJWKM-FXAWDEMLSA-N 1 0 409.921 3.406 20 0 HGADRO COc1ccc2c(ccnc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164979915 722107068 /nfs/dbraw/zinc/10/70/68/722107068.db2.gz IIQFCPSQKZJBAM-NZQKXSOJSA-N 1 0 404.514 3.366 20 0 HGADRO Clc1nnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c2sccc21 ZINC001164979309 722107152 /nfs/dbraw/zinc/10/71/52/722107152.db2.gz IAEUIFVZASTYSY-DOTOQJQBSA-N 1 0 415.950 3.467 20 0 HGADRO Clc1cc2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2cn1 ZINC001164982175 722109866 /nfs/dbraw/zinc/10/98/66/722109866.db2.gz WCYNLUCMQOMAMA-AZUAARDMSA-N 1 0 409.921 3.406 20 0 HGADRO Clc1ccc2c(c1)ncnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982136 722110140 /nfs/dbraw/zinc/11/01/40/722110140.db2.gz WCEXXTCXCGMNLJ-LAUBAEHRSA-N 1 0 409.921 3.406 20 0 HGADRO CCOc1ccc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164971432 722122598 /nfs/dbraw/zinc/12/25/98/722122598.db2.gz CKWSGGHOIYFLSD-XXBNENTESA-N 1 0 419.529 3.151 20 0 HGADRO CCOc1ccc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164971425 722122648 /nfs/dbraw/zinc/12/26/48/722122648.db2.gz CKWSGGHOIYFLSD-AUSIDOKSSA-N 1 0 419.529 3.151 20 0 HGADRO Clc1ccc2cnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2c1 ZINC001164981016 722125962 /nfs/dbraw/zinc/12/59/62/722125962.db2.gz RXZJGVYTNBTKFP-WIYYLYMNSA-N 1 0 409.921 3.406 20 0 HGADRO Cc1cc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)nn1 ZINC001164979701 722143053 /nfs/dbraw/zinc/14/30/53/722143053.db2.gz LTJUJBGYAWGQLX-WMZOPIPTSA-N 1 0 423.895 3.106 20 0 HGADRO c1cc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)cs1 ZINC001164976197 722151823 /nfs/dbraw/zinc/15/18/23/722151823.db2.gz UWJGXGLYAVDELH-RXVVDRJESA-N 1 0 407.543 3.327 20 0 HGADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cncc(OCC5CCCC5)n4)CC[C@@H]3C2)c1 ZINC001164971080 722154894 /nfs/dbraw/zinc/15/48/94/722154894.db2.gz ALJRQKOBIMEPRI-YADHBBJMSA-N 1 0 423.561 3.168 20 0 HGADRO COC(=O)c1cc2c(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)[nH]cnc-2n1 ZINC001164995316 722194245 /nfs/dbraw/zinc/19/42/45/722194245.db2.gz UILNSYUONKEKNT-QFIPXVFZSA-N 1 0 409.465 3.080 20 0 HGADRO Cc1cccc2nc(Cl)nc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c12 ZINC001165001529 722255315 /nfs/dbraw/zinc/25/53/15/722255315.db2.gz AYCGIGMVTPTLHC-UHFFFAOYSA-N 1 0 414.941 3.277 20 0 HGADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncccc1OCc1ccccc1)CCC2 ZINC001165004404 722256014 /nfs/dbraw/zinc/25/60/14/722256014.db2.gz RBGWCIULTLJNCS-UHFFFAOYSA-N 1 0 421.545 3.346 20 0 HGADRO OC[C@@H](Cc1ccccc1)[NH2+]Cc1c(F)ccc(I)c1F ZINC000474943066 1126094685 /nfs/dbraw/zinc/09/46/85/1126094685.db2.gz MYVORAGCXCUHOV-GFCCVEGCSA-N 1 0 403.210 3.263 20 0 HGADRO COc1cc(C[NH2+]C2(CO)Cc3ccccc3C2)ccc1OCc1c(C)noc1C ZINC000568157007 1126097834 /nfs/dbraw/zinc/09/78/34/1126097834.db2.gz UINSIAVNIPOOCF-UHFFFAOYSA-N 1 0 408.498 3.499 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2csc(-c3ccc(C(N)=O)cc3)n2)cc1 ZINC001198218136 1126154624 /nfs/dbraw/zinc/15/46/24/1126154624.db2.gz CVNSUKWGMHWQQB-QFIPXVFZSA-N 1 0 411.527 3.001 20 0 HGADRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1ncc(I)s1 ZINC001179397069 1126152188 /nfs/dbraw/zinc/15/21/88/1126152188.db2.gz NNRSKYMCEGWSIE-AWEZNQCLSA-N 1 0 422.719 3.484 20 0 HGADRO Cc1ccc2ncc(C[NH2+][C@@]3(CO)CCc4cc(Br)ccc4C3)n2c1 ZINC001203119965 1126157816 /nfs/dbraw/zinc/15/78/16/1126157816.db2.gz VDRBYHJAKDHZLJ-FQEVSTJZSA-N 1 0 400.320 3.415 20 0 HGADRO COC(=O)Cc1ccccc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC001473641988 1126198289 /nfs/dbraw/zinc/19/82/89/1126198289.db2.gz ZAZNZTFMYJQEII-NRFANRHFSA-N 1 0 418.331 3.174 20 0 HGADRO COc1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cc(OC)c1 ZINC001461636358 1126195454 /nfs/dbraw/zinc/19/54/54/1126195454.db2.gz ZJMDZGIGTPHMPA-FQEVSTJZSA-N 1 0 406.320 3.476 20 0 HGADRO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC001461673536 1126196049 /nfs/dbraw/zinc/19/60/49/1126196049.db2.gz RTFSRZSOGZIDAX-IBGZPJMESA-N 1 0 410.283 3.443 20 0 HGADRO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC001461673538 1126196218 /nfs/dbraw/zinc/19/62/18/1126196218.db2.gz RTFSRZSOGZIDAX-LJQANCHMSA-N 1 0 410.283 3.443 20 0 HGADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cnnn1-c1ccccc1 ZINC001560182442 1126208633 /nfs/dbraw/zinc/20/86/33/1126208633.db2.gz DWUWTZKMZMMLLJ-IBGZPJMESA-N 1 0 401.308 3.113 20 0 HGADRO COCCn1cc([C@H]2[C@H](C[NH2+]Cc3sccc3C)CC(=O)N2C(C)(C)C)cn1 ZINC000328602538 569416593 /nfs/dbraw/zinc/41/65/93/569416593.db2.gz BZTQKPHLJMFJBO-OXJNMPFZSA-N 1 0 404.580 3.377 20 0 HGADRO [NH3+]CC1(F)CCN(c2nc(CN3CCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC001164389307 718813372 /nfs/dbraw/zinc/81/33/72/718813372.db2.gz UVMDKXKTNVWVBW-UHFFFAOYSA-N 1 0 403.571 3.433 20 0 HGADRO FC(F)(F)[C@H]1N(C(F)(F)COc2ccc(Cl)nn2)CCC12CC[NH2+]CC2 ZINC001164388786 718814979 /nfs/dbraw/zinc/81/49/79/718814979.db2.gz QQQBMJXVDKVEMJ-LBPRGKRZSA-N 1 0 400.779 3.108 20 0 HGADRO COc1ccccc1-c1cc(C(F)(F)N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c(Cl)nn1 ZINC001164408838 718865466 /nfs/dbraw/zinc/86/54/66/718865466.db2.gz NMEGIEBDINPBKQ-FZKQIMNGSA-N 1 0 424.879 3.165 20 0 HGADRO COc1ccccc1-c1cc(C(F)(F)N2CCO[C@H]3C[NH2+]CC[C@H]3C2)c(Cl)nn1 ZINC001164408842 718865519 /nfs/dbraw/zinc/86/55/19/718865519.db2.gz NMEGIEBDINPBKQ-UGSOOPFHSA-N 1 0 424.879 3.165 20 0 HGADRO Cc1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)c(Cl)nn2)c1 ZINC001164410395 718865805 /nfs/dbraw/zinc/86/58/05/718865805.db2.gz ZTWBIJGORRFNDQ-CRAIPNDOSA-N 1 0 408.880 3.465 20 0 HGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN([C@@H](F)Oc1ccc(Cl)nc1)C2 ZINC001164617446 719008773 /nfs/dbraw/zinc/00/87/73/719008773.db2.gz OESSNZHJWPYTDT-CVAIRZPRSA-N 1 0 411.905 3.012 20 0 HGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(Cl)nc(-c2ccccc2)n1 ZINC001164617774 719015988 /nfs/dbraw/zinc/01/59/88/719015988.db2.gz PHXRSAFFYLGQQX-KKUMJFAQSA-N 1 0 422.863 3.072 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(-c4cccs4)ncn3)CC2)CC1 ZINC001164618623 719032887 /nfs/dbraw/zinc/03/28/87/719032887.db2.gz WEXYBAJJRSBQJB-UHFFFAOYSA-N 1 0 400.548 3.449 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(-c4ccncc4)nc(C)c3C)CC2)CC1 ZINC001164617902 719033273 /nfs/dbraw/zinc/03/32/73/719033273.db2.gz PAKZCSCWYCQNFU-UHFFFAOYSA-N 1 0 423.561 3.399 20 0 HGADRO FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164622677 719048332 /nfs/dbraw/zinc/04/83/32/719048332.db2.gz LDSJDNJHEFHJLK-ACJLOTCBSA-N 1 0 404.852 3.086 20 0 HGADRO CCOC(=O)c1cc(Cl)nnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164629649 719067541 /nfs/dbraw/zinc/06/75/41/719067541.db2.gz YKQPSIOHIPGYGL-FUHWJXTLSA-N 1 0 400.910 3.408 20 0 HGADRO CCOC(=O)Cc1c(Cl)ncnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164623603 719079477 /nfs/dbraw/zinc/07/94/77/719079477.db2.gz JWPLDNVHRDBNBA-PKOBYXMFSA-N 1 0 414.937 3.336 20 0 HGADRO CCOC(=O)c1nc2ccn(C)c2c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164632408 719091865 /nfs/dbraw/zinc/09/18/65/719091865.db2.gz ZITVRGGHCKFFAV-UYAOXDASSA-N 1 0 419.529 3.246 20 0 HGADRO CCOC(=O)c1cc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)nc2ccccc21 ZINC001164684743 719620986 /nfs/dbraw/zinc/62/09/86/719620986.db2.gz XFAPGVYQFDEZTP-UHFFFAOYSA-N 1 0 407.518 3.083 20 0 HGADRO CC(C)N(C)Cc1nn(-c2cc(-c3nc(C(C)(C)C)no3)ccn2)c2c1CC[NH2+]C2 ZINC001164679723 719633960 /nfs/dbraw/zinc/63/39/60/719633960.db2.gz KIVWJEXHBPGZIZ-UHFFFAOYSA-N 1 0 409.538 3.101 20 0 HGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncccc3F)CC2)c2ccccc21 ZINC001164682983 719656303 /nfs/dbraw/zinc/65/63/03/719656303.db2.gz 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3.300 20 0 HGADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)nc5ncsc54)CC[N@@H+]3C2)c1 ZINC001164908607 721536131 /nfs/dbraw/zinc/53/61/31/721536131.db2.gz PUODREVGXFWMMC-JSGCOSHPSA-N 1 0 405.886 3.221 20 0 HGADRO Nc1cc(Cl)nc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164906390 721539850 /nfs/dbraw/zinc/53/98/50/721539850.db2.gz KJKXONDGZZDMOP-GOEBONIOSA-N 1 0 412.843 3.343 20 0 HGADRO CCOC(=O)c1c(C)cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1C ZINC001164909739 721540495 /nfs/dbraw/zinc/54/04/95/721540495.db2.gz RSSLAYONYNGFFI-AZUAARDMSA-N 1 0 413.493 3.356 20 0 HGADRO CC1CCN(c2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)CC1 ZINC001164911662 721554913 /nfs/dbraw/zinc/55/49/13/721554913.db2.gz ZKJCFWBXWLRIKU-PZJWPPBQSA-N 1 0 411.525 3.194 20 0 HGADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4ncnc(-c5cccc(F)c5)n4)CC[N@@H+]3C2)c1 ZINC001164903524 721557287 /nfs/dbraw/zinc/55/72/87/721557287.db2.gz BZMQVKNGENSJJA-QUCCMNQESA-N 1 0 409.440 3.159 20 0 HGADRO COC(=O)c1cc(Cl)c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1C ZINC001164907562 721564455 /nfs/dbraw/zinc/56/44/55/721564455.db2.gz OLTOQGGEBWCJKN-RDJZCZTQSA-N 1 0 419.884 3.311 20 0 HGADRO CSc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc(SC)n1 ZINC001164907226 721566455 /nfs/dbraw/zinc/56/64/55/721566455.db2.gz MWLAYWIKSNVDQC-GOEBONIOSA-N 1 0 406.552 3.401 20 0 HGADRO Cc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc(-c2ccccn2)n1 ZINC001164809838 721576413 /nfs/dbraw/zinc/57/64/13/721576413.db2.gz XMGDGDJFAFACQW-FUPPJEDESA-N 1 0 416.529 3.110 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@]3(CCCN(c4cnccn4)C3)C2)nc1 ZINC001164903408 721580733 /nfs/dbraw/zinc/58/07/33/721580733.db2.gz NENITASZZFGSGW-QPPBQGQZSA-N 1 0 422.577 3.294 20 0 HGADRO CCOC(=O)c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164902204 721584028 /nfs/dbraw/zinc/58/40/28/721584028.db2.gz CVCXISNJNKNBOI-NRFANRHFSA-N 1 0 416.472 3.391 20 0 HGADRO COc1cnc(Cl)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906657 721584831 /nfs/dbraw/zinc/58/48/31/721584831.db2.gz OBAKEPBJKOYYJR-SFHVURJKSA-N 1 0 409.868 3.271 20 0 HGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C3CCC3)nc3[nH]ccc32)[C@H]2CCCO[C@H]12 ZINC001164802526 721591904 /nfs/dbraw/zinc/59/19/04/721591904.db2.gz GGVYOQJWIPSKAY-HBMCJLEFSA-N 1 0 418.545 3.489 20 0 HGADRO Cc1cncc(COC[C@]23CCC[C@@H]2CN(c2cccc(N4CC[NH+](C)CC4)n2)C3)c1 ZINC001164797836 721601228 /nfs/dbraw/zinc/60/12/28/721601228.db2.gz CKHOXLLUJGLCDU-RCZVLFRGSA-N 1 0 421.589 3.360 20 0 HGADRO Cc1cncc(COC[C@]23CCC[C@H]2CN(c2cccc(N4CC[NH+](C)CC4)n2)C3)c1 ZINC001164797840 721601322 /nfs/dbraw/zinc/60/13/22/721601322.db2.gz CKHOXLLUJGLCDU-WIOPSUGQSA-N 1 0 421.589 3.360 20 0 HGADRO FC(F)Oc1cnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164907631 721712439 /nfs/dbraw/zinc/71/24/39/721712439.db2.gz SCFYORZCSYSDBJ-GOSISDBHSA-N 1 0 411.403 3.211 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCn3c(CN(C)C(C)C)nnc3C2)nc1 ZINC001165010353 721719642 /nfs/dbraw/zinc/71/96/42/721719642.db2.gz GKYUWWCPOUFKEB-HXUWFJFHSA-N 1 0 411.598 3.471 20 0 HGADRO CC(C)Oc1cncc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164912206 721726174 /nfs/dbraw/zinc/72/61/74/721726174.db2.gz MVZPIWOMHZVQFO-HXUWFJFHSA-N 1 0 403.477 3.397 20 0 HGADRO COc1cnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1NC(C)C ZINC001165024452 721797749 /nfs/dbraw/zinc/79/77/49/721797749.db2.gz LBOFVLSYHXEEIF-DFQSSKMNSA-N 1 0 410.566 3.437 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)c(F)cc3C(N)=O)C[C@@H]21 ZINC001165018704 721806400 /nfs/dbraw/zinc/80/64/00/721806400.db2.gz BYBKQXWCAYJMSV-RPVQJOFSSA-N 1 0 417.916 3.105 20 0 HGADRO COC(=O)c1nc(Cl)cnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165028981 721813709 /nfs/dbraw/zinc/81/37/09/721813709.db2.gz YJSXHGHXPIKXRN-BHYGNILZSA-N 1 0 415.925 3.049 20 0 HGADRO CNC(=O)c1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1Cl ZINC001165025508 721816844 /nfs/dbraw/zinc/81/68/44/721816844.db2.gz NCHZZYPMRJDXHW-WDYCEAGBSA-N 1 0 413.953 3.227 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc4c3CNC4=O)C[C@H]21 ZINC001165028992 721817256 /nfs/dbraw/zinc/81/72/56/721817256.db2.gz YLDNPMWITLWBQA-NIKGAXFTSA-N 1 0 411.937 3.110 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc4ncnc(Cl)c4n3)C[C@@H]21 ZINC001165025510 721818692 /nfs/dbraw/zinc/81/86/92/721818692.db2.gz NCKBCHPIQQJJFL-QILLFSRXSA-N 1 0 409.925 3.205 20 0 HGADRO CON(C)C(=O)c1cc(C)cnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165023590 721819736 /nfs/dbraw/zinc/81/97/36/721819736.db2.gz ICNDTQNOARCCCW-NYVOZVTQSA-N 1 0 423.561 3.155 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(N4CCSCC4)ncn3)C[C@H]21 ZINC001165025650 721828193 /nfs/dbraw/zinc/82/81/93/721828193.db2.gz NFDIDNQRUIJKDH-CEWLAPEOSA-N 1 0 424.618 3.162 20 0 HGADRO COC(=O)c1cc(C)nc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c1 ZINC001165019316 721838022 /nfs/dbraw/zinc/83/80/22/721838022.db2.gz CVANYJFYOHLRBM-UHFFFAOYSA-N 1 0 413.518 3.295 20 0 HGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nccnc2OC(C)C)CC1 ZINC001165031071 721844285 /nfs/dbraw/zinc/84/42/85/721844285.db2.gz QBRSUQJVZNDSIE-UHFFFAOYSA-N 1 0 400.523 3.382 20 0 HGADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cc(-c2ccco2)nnc1Cl ZINC001164930995 721881109 /nfs/dbraw/zinc/88/11/09/721881109.db2.gz DXWRYYARJCZCBH-JKSUJKDBSA-N 1 0 411.884 3.150 20 0 HGADRO COC(=O)C[C@@H](c1ccnc(N2CC[NH+](CCOc3ccccc3)CC2)c1)C1CC1 ZINC001165045495 721958943 /nfs/dbraw/zinc/95/89/43/721958943.db2.gz VPJVLOMBKNHSEY-JOCHJYFZSA-N 1 0 409.530 3.339 20 0 HGADRO CCOC(=O)C1CCN(c2ccc(N3CCCC[C@@H]3CC[NH+]3CCCC3)nn2)CC1 ZINC001165049835 721973015 /nfs/dbraw/zinc/97/30/15/721973015.db2.gz SDAJBPKYJIKHBA-HXUWFJFHSA-N 1 0 415.582 3.101 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[C@@H](NC(=O)N(C)C)CCO3)nc1 ZINC001164954097 722011027 /nfs/dbraw/zinc/01/10/27/722011027.db2.gz IFKISUYRFHJCKC-MIZPHKNDSA-N 1 0 415.582 3.028 20 0 HGADRO CCOC(=O)c1cc(Cl)nnc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164953637 722015023 /nfs/dbraw/zinc/01/50/23/722015023.db2.gz WLGUQEARMCSSES-UHFFFAOYSA-N 1 0 415.925 3.194 20 0 HGADRO Clc1nnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c2cnccc12 ZINC001164958900 722053367 /nfs/dbraw/zinc/05/33/67/722053367.db2.gz HQMMUPKKJDVMJZ-UHFFFAOYSA-N 1 0 424.936 3.192 20 0 HGADRO Clc1ccc2c(ncnc2N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164959447 722053492 /nfs/dbraw/zinc/05/34/92/722053492.db2.gz JLHKWAGSDXMWIK-UHFFFAOYSA-N 1 0 424.936 3.192 20 0 HGADRO Fc1ccc(Oc2ccc(Cl)nn2)c(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1 ZINC001164967223 722075498 /nfs/dbraw/zinc/07/54/98/722075498.db2.gz OIRTVIGDTJTTDC-IYBDPMFKSA-N 1 0 404.873 3.361 20 0 HGADRO c1cc(N2CCCCC2)ccc1-c1ccc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)nn1 ZINC001164968129 722076711 /nfs/dbraw/zinc/07/67/11/722076711.db2.gz RUUCIDYTPIVGPC-ZRZAMGCNSA-N 1 0 419.573 3.433 20 0 HGADRO FC(F)(c1cccc(Cl)n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983407 722100770 /nfs/dbraw/zinc/10/07/70/722100770.db2.gz PYVPYQKCSVHCAO-IAGOWNOFSA-N 1 0 408.880 3.402 20 0 HGADRO Cc1cc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(Cl)n1 ZINC001164975000 722109588 /nfs/dbraw/zinc/10/95/88/722109588.db2.gz JEDBUHGQVQZAGQ-IRXDYDNUSA-N 1 0 423.895 3.106 20 0 HGADRO CCOc1cc(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164981536 722114848 /nfs/dbraw/zinc/11/48/48/722114848.db2.gz ULVPKFUMFIWVRM-PKOBYXMFSA-N 1 0 402.926 3.256 20 0 HGADRO Clc1cccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncc12 ZINC001164975110 722123238 /nfs/dbraw/zinc/12/32/38/722123238.db2.gz JLCPAMYMXYSYAU-UWJYYQICSA-N 1 0 409.921 3.406 20 0 HGADRO Clc1ccnc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ccc12 ZINC001164977301 722125821 /nfs/dbraw/zinc/12/58/21/722125821.db2.gz MMTIRQRAWBTOFV-YLJYHZDGSA-N 1 0 409.921 3.406 20 0 HGADRO CCCN(CCC)c1cncc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983831 722131808 /nfs/dbraw/zinc/13/18/08/722131808.db2.gz VNEPVHRWHPIXTC-FCHUYYIVSA-N 1 0 424.593 3.225 20 0 HGADRO Clc1ccnc2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc12 ZINC001164978085 722135909 /nfs/dbraw/zinc/13/59/09/722135909.db2.gz JQUUOAADWVJPOI-XLIONFOSSA-N 1 0 409.921 3.406 20 0 HGADRO c1csc(-c2cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncn2)c1 ZINC001164983332 722145239 /nfs/dbraw/zinc/14/52/39/722145239.db2.gz UGSLUEZKVLDYQW-ICSRJNTNSA-N 1 0 407.543 3.327 20 0 HGADRO Cc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(-c2ccco2)n1 ZINC001164983862 722147541 /nfs/dbraw/zinc/14/75/41/722147541.db2.gz VWQMEYOWTNZJAR-FPOVZHCZSA-N 1 0 405.502 3.167 20 0 HGADRO Cc1ccc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)o1 ZINC001164974401 722147710 /nfs/dbraw/zinc/14/77/10/722147710.db2.gz DRMFDXAFNSDCAI-SIKLNZKXSA-N 1 0 405.502 3.167 20 0 HGADRO CC(C)c1c(Cl)ncnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973361 722153372 /nfs/dbraw/zinc/15/33/72/722153372.db2.gz LXYYDISJJXIYRI-ROUUACIJSA-N 1 0 401.942 3.376 20 0 HGADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ccc(CN4CCOCC4)cn2)C3)c1 ZINC001164994972 722192877 /nfs/dbraw/zinc/19/28/77/722192877.db2.gz RDDHBPWZUKNLKW-XMMPIXPASA-N 1 0 410.537 3.298 20 0 HGADRO NC(=O)c1cc(F)c(Cl)nc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995604 722196338 /nfs/dbraw/zinc/19/63/38/722196338.db2.gz WBCSTPUGPRIDGU-FQEVSTJZSA-N 1 0 406.864 3.357 20 0 HGADRO CN1CCOc2c(Cl)nnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c21 ZINC001164996325 722206728 /nfs/dbraw/zinc/20/67/28/722206728.db2.gz UAPRYNPBPBUCQF-NRFANRHFSA-N 1 0 417.916 3.343 20 0 HGADRO O=C1C[C@@]2(CCN(c3ccc(C[NH+]4CCCC4)cn3)C2)CN1c1ccc2c(c1)OCO2 ZINC001164999235 722220363 /nfs/dbraw/zinc/22/03/63/722220363.db2.gz OHCLEWVVICCCFI-XMMPIXPASA-N 1 0 420.513 3.040 20 0 HGADRO Cc1sc2nc(C)nc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2c1C ZINC001164999926 722253242 /nfs/dbraw/zinc/25/32/42/722253242.db2.gz JINRAGNGTIZWJT-UHFFFAOYSA-N 1 0 414.579 3.302 20 0 HGADRO Cc1ccc(C)c(-c2ccc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nn2)c1 ZINC001165004872 722256665 /nfs/dbraw/zinc/25/66/65/722256665.db2.gz WGOBRDXAAXEPLR-UHFFFAOYSA-N 1 0 420.561 3.445 20 0 HGADRO OC[C@H](Cc1ccccc1)[NH2+]Cc1c(F)ccc(I)c1F ZINC000475087423 1126094609 /nfs/dbraw/zinc/09/46/09/1126094609.db2.gz MYVORAGCXCUHOV-LBPRGKRZSA-N 1 0 403.210 3.263 20 0 HGADRO COc1cc(Br)c(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)F)cc1O ZINC000494598767 1126094957 /nfs/dbraw/zinc/09/49/57/1126094957.db2.gz FRDKPJUDQMNLDQ-RHSMWYFYSA-N 1 0 416.262 3.490 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(Cl)cc2-n2cncn2)cc1OC ZINC001198228247 1126155588 /nfs/dbraw/zinc/15/55/88/1126155588.db2.gz CLOVAVAHKMAJKR-OAQYLSRUSA-N 1 0 416.909 3.021 20 0 HGADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ncc(I)s2)cc1C ZINC001202677070 1126157420 /nfs/dbraw/zinc/15/74/20/1126157420.db2.gz RNCGWUAQYQVBIN-ZDUSSCGKSA-N 1 0 402.301 3.058 20 0 HGADRO Cc1ccc2ncc(C[NH2+][C@]3(CO)CCc4cc(Br)ccc4C3)n2c1 ZINC001203119969 1126157800 /nfs/dbraw/zinc/15/78/00/1126157800.db2.gz VDRBYHJAKDHZLJ-HXUWFJFHSA-N 1 0 400.320 3.415 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nc3c4ccccc4oc3c(=O)[nH]2)cc1OC ZINC001308116598 1126163150 /nfs/dbraw/zinc/16/31/50/1126163150.db2.gz AWQFLPJPABTFBH-HSZRJFAPSA-N 1 0 423.469 3.182 20 0 HGADRO CCOC(=O)c1ncc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)s1 ZINC001460872205 1126193309 /nfs/dbraw/zinc/19/33/09/1126193309.db2.gz UMOSRKJAKOIVBU-QGZVFWFLSA-N 1 0 413.337 3.166 20 0 HGADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccc(I)cc1 ZINC001460693112 1126191709 /nfs/dbraw/zinc/19/17/09/1126191709.db2.gz CVTPKIRZSYJDMR-GOSISDBHSA-N 1 0 411.283 3.383 20 0 HGADRO COC(=O)c1cccc(C[NH2+][C@](C)(CO)Cc2ccc(OC)c(OC)c2)c1Cl ZINC001473840058 1126200434 /nfs/dbraw/zinc/20/04/34/1126200434.db2.gz PIQXOHCCFBAASL-NRFANRHFSA-N 1 0 407.894 3.227 20 0 HGADRO CCOC(=O)c1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)[nH]c1C ZINC001462429891 1126197616 /nfs/dbraw/zinc/19/76/16/1126197616.db2.gz RKHRBYAVNGWLIB-FQEVSTJZSA-N 1 0 421.335 3.272 20 0 HGADRO O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1ccc(CN2CCOCC2)cc1)C(F)(F)F ZINC001473751356 1126198798 /nfs/dbraw/zinc/19/87/98/1126198798.db2.gz UCBGRZVZHYRQIV-NHCUHLMSSA-N 1 0 408.464 3.143 20 0 HGADRO COc1ccc(OC)c(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC001461630150 1126195464 /nfs/dbraw/zinc/19/54/64/1126195464.db2.gz HYPIUJOGRABVMO-HXUWFJFHSA-N 1 0 406.320 3.476 20 0 HGADRO FC(F)(F)[C@@H]1N(C(F)(F)COc2cncc(Cl)n2)CCC12CC[NH2+]CC2 ZINC001164386935 718815506 /nfs/dbraw/zinc/81/55/06/718815506.db2.gz CADSIJQFCWQZFK-GFCCVEGCSA-N 1 0 400.779 3.108 20 0 HGADRO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001164402167 718862805 /nfs/dbraw/zinc/86/28/05/718862805.db2.gz IZWKROVKMMZULU-QMTHXVAHSA-N 1 0 403.260 3.296 20 0 HGADRO COc1ccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@H]4C3)c(Cl)nn2)cc1 ZINC001164407870 718865921 /nfs/dbraw/zinc/86/59/21/718865921.db2.gz KLDFTHFMQSTABO-KBXCAEBGSA-N 1 0 424.879 3.165 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(COC4CCC4)cn3)CC2)CC1 ZINC001164617619 719034188 /nfs/dbraw/zinc/03/41/88/719034188.db2.gz NZSZTHXUVDPOGQ-UHFFFAOYSA-N 1 0 401.551 3.395 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C4CCC4)nc4[nH]ccc43)CC2)CC1 ZINC001164617514 719035774 /nfs/dbraw/zinc/03/57/74/719035774.db2.gz LHTVYFPETHLPOX-UHFFFAOYSA-N 1 0 411.550 3.469 20 0 HGADRO CC(C)N(C)Cc1nn(C(F)(F)c2c[nH]c3nc(Cl)ccc23)c2c1CC[NH2+]C2 ZINC001164681103 719623278 /nfs/dbraw/zinc/62/32/78/719623278.db2.gz AIKDKKATNRJGGN-UHFFFAOYSA-N 1 0 408.884 3.496 20 0 HGADRO CC(C)N(C)Cc1nn(-c2ccc(C(=O)OCc3ccccc3)cn2)c2c1CC[NH2+]C2 ZINC001164679782 719642433 /nfs/dbraw/zinc/64/24/33/719642433.db2.gz MXRTYUFNCHPNQX-UHFFFAOYSA-N 1 0 419.529 3.110 20 0 HGADRO CCc1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncn1 ZINC001164683478 719678407 /nfs/dbraw/zinc/67/84/07/719678407.db2.gz RXWRYRXZCOSRPO-LJQANCHMSA-N 1 0 421.589 3.132 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3cc(C(C)(C)C)sc31)CC2 ZINC001164683947 719706842 /nfs/dbraw/zinc/70/68/42/719706842.db2.gz MFZRYFOJWWWJTC-UHFFFAOYSA-N 1 0 401.580 3.170 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(-c3ccc(Cl)nn3)ccc1F)CC2 ZINC001164689341 719746531 /nfs/dbraw/zinc/74/65/31/719746531.db2.gz BPJCTRSJOACXCV-UHFFFAOYSA-N 1 0 417.916 3.117 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1c(Cl)ccc3c(Cl)ncnc31)CC2 ZINC001164692818 719755844 /nfs/dbraw/zinc/75/58/44/719755844.db2.gz VXCXLCURWXOZIU-UHFFFAOYSA-N 1 0 408.333 3.117 20 0 HGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H]2CC(=O)N3Cc2cccnc2)nc1 ZINC001164690672 719775164 /nfs/dbraw/zinc/77/51/64/719775164.db2.gz GVYHETYTSDFZSO-VSKRKVRLSA-N 1 0 405.546 3.403 20 0 HGADRO Cc1nc(C[N@H+]2CCCC23CCN(c2ncnc4c2[C@@H](C)CC(=O)N4)CC3)cs1 ZINC001164693975 719809017 /nfs/dbraw/zinc/80/90/17/719809017.db2.gz SULJMJBPISEQPC-AWEZNQCLSA-N 1 0 412.563 3.322 20 0 HGADRO COC(=O)c1nc(Cl)cc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164693522 719815259 /nfs/dbraw/zinc/81/52/59/719815259.db2.gz VZOAFQJKDPKUDP-UHFFFAOYSA-N 1 0 421.954 3.317 20 0 HGADRO COCc1nc(OC)cc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164700236 719816700 /nfs/dbraw/zinc/81/67/00/719816700.db2.gz KCKLZYKQSNHQAF-UHFFFAOYSA-N 1 0 403.552 3.032 20 0 HGADRO COC[C@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)Cc2cn(C)nc21 ZINC001164696317 719833643 /nfs/dbraw/zinc/83/36/43/719833643.db2.gz SFYLXKVTZRKJAS-OAHLLOKOSA-N 1 0 423.895 3.140 20 0 HGADRO COC(=O)c1cc(C)cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164696166 719894620 /nfs/dbraw/zinc/89/46/20/719894620.db2.gz AEGQYVBNYLBYME-UHFFFAOYSA-N 1 0 401.532 3.110 20 0 HGADRO CC(=O)Nc1c(C)ccnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164699149 719896754 /nfs/dbraw/zinc/89/67/54/719896754.db2.gz XTLSHCNRKWGPTI-UHFFFAOYSA-N 1 0 400.548 3.281 20 0 HGADRO Cc1noc(-c2cccnc2N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164706334 719898685 /nfs/dbraw/zinc/89/86/85/719898685.db2.gz HYWPETTXDRTORM-UHFFFAOYSA-N 1 0 411.531 3.373 20 0 HGADRO CCOC(=O)c1cnc(Cl)cc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164809744 720069541 /nfs/dbraw/zinc/06/95/41/720069541.db2.gz JTEUMGUEMNZPKX-KKSFZXQISA-N 1 0 407.942 3.096 20 0 HGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C)c(NC3CC3)n1)CC2 ZINC001164709627 720093026 /nfs/dbraw/zinc/09/30/26/720093026.db2.gz BNTLEVMGVWXEKG-OAQYLSRUSA-N 1 0 422.577 3.262 20 0 HGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)nc(SC)n1)CC2 ZINC001164710071 720094455 /nfs/dbraw/zinc/09/44/55/720094455.db2.gz GQBDHJGEUBMKKV-LJQANCHMSA-N 1 0 413.591 3.409 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)ncc1OC)CC2 ZINC001164710345 720096501 /nfs/dbraw/zinc/09/65/01/720096501.db2.gz JDPMESVZFXZVRK-KRWDZBQOSA-N 1 0 417.941 3.041 20 0 HGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3nc(C)n(C)c3n1)CC2 ZINC001164716100 720117465 /nfs/dbraw/zinc/11/74/65/720117465.db2.gz IYLRZKACRTXLRH-FQEVSTJZSA-N 1 0 420.561 3.179 20 0 HGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(OC)cc(OC)n1)CC2 ZINC001164717326 720117821 /nfs/dbraw/zinc/11/78/21/720117821.db2.gz 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COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc(-c3ccncc3)n1)C2 ZINC001164812683 720196672 /nfs/dbraw/zinc/19/66/72/720196672.db2.gz LXEFSTKLUWXGKG-AVRDEDQJSA-N 1 0 413.953 3.377 20 0 HGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c(Cl)cccc31)CCC2 ZINC001164810200 720216079 /nfs/dbraw/zinc/21/60/79/720216079.db2.gz AJPLERJHCHOYRW-UHFFFAOYSA-N 1 0 412.925 3.090 20 0 HGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3cc(Cl)cnc3n1)CCC2 ZINC001164812070 720220169 /nfs/dbraw/zinc/22/01/69/720220169.db2.gz CUMRFXIHGMYPFL-UHFFFAOYSA-N 1 0 412.925 3.090 20 0 HGADRO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(C[N@@H+](C)C3CC3)cn2)cs1 ZINC001164816041 720258956 /nfs/dbraw/zinc/25/89/56/720258956.db2.gz FOTVAYGUBNJJJB-WOJBJXKFSA-N 1 0 411.575 3.211 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2ccnc(Cl)c2)CC1 ZINC001164819262 720289894 /nfs/dbraw/zinc/28/98/94/720289894.db2.gz DENFWPPYJDCVJY-DLBZAZTESA-N 1 0 412.912 3.191 20 0 HGADRO COc1ccc2nc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ccc2c1 ZINC001164819182 720310309 /nfs/dbraw/zinc/31/03/09/720310309.db2.gz CTEFMDKFDRIMLB-VXKWHMMOSA-N 1 0 408.546 3.155 20 0 HGADRO CCOC(=O)c1sc2ncnc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164728385 720330207 /nfs/dbraw/zinc/33/02/07/720330207.db2.gz VLLHWSNPOQLXGW-DLBZAZTESA-N 1 0 423.542 3.425 20 0 HGADRO COc1ccc2cnc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)cc2c1 ZINC001164831993 720330553 /nfs/dbraw/zinc/33/05/53/720330553.db2.gz SRJLNKFCZQKADI-VXKWHMMOSA-N 1 0 408.546 3.155 20 0 HGADRO Cc1c[nH]c2nc(Cl)cc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164827303 720335324 /nfs/dbraw/zinc/33/53/24/720335324.db2.gz HJYJGIQEXKWPSQ-IRXDYDNUSA-N 1 0 415.969 3.436 20 0 HGADRO CCOC(=O)c1nc2ccccc2c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164726649 720341009 /nfs/dbraw/zinc/34/10/09/720341009.db2.gz QTIUWCQPZBUDMP-WOJBJXKFSA-N 1 0 403.486 3.055 20 0 HGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(C3CCC3)nc3[nH]ccc32)CC1 ZINC001164822891 720356006 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COCOc1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164908734 721707076 /nfs/dbraw/zinc/70/70/76/721707076.db2.gz YVAZSYSSAVVALW-FQEVSTJZSA-N 1 0 404.461 3.197 20 0 HGADRO CCc1ccc(-c2ccc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)nn2)cc1 ZINC001165012709 721746540 /nfs/dbraw/zinc/74/65/40/721746540.db2.gz MHIFNEJUNIRILZ-UHFFFAOYSA-N 1 0 407.562 3.229 20 0 HGADRO Cc1cc2ccccc2c(N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)[nH+]1 ZINC001164916675 721789507 /nfs/dbraw/zinc/78/95/07/721789507.db2.gz SAYDQXRQDGHDPT-XMMPIXPASA-N 1 0 404.514 3.046 20 0 HGADRO Cc1cc2ccccc2c(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)[nH+]1 ZINC001164916673 721789874 /nfs/dbraw/zinc/78/98/74/721789874.db2.gz SAYDQXRQDGHDPT-DEOSSOPVSA-N 1 0 404.514 3.046 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3C(=O)N3CCCC3)C[C@@H]21 ZINC001165020566 721799363 /nfs/dbraw/zinc/79/93/63/721799363.db2.gz FZZDLOIARUMISI-WTIAFYNJSA-N 1 0 419.573 3.450 20 0 HGADRO CN(C)c1nc(Cl)cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165028845 721799586 /nfs/dbraw/zinc/79/95/86/721799586.db2.gz ZXANTJRALVYHCV-JQHSSLGASA-N 1 0 400.958 3.328 20 0 HGADRO CSc1nc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165026639 721806869 /nfs/dbraw/zinc/80/68/69/721806869.db2.gz RQKQYULUAKGGBA-NUEKZKHPSA-N 1 0 404.971 3.379 20 0 HGADRO c1csc(COC[C@@H]2CC[C@@H]3[C@H]2OCCN3c2ccc(C[NH+]3CCCC3)cn2)n1 ZINC001164917588 721810713 /nfs/dbraw/zinc/81/07/13/721810713.db2.gz NOIKITURTLWLFV-JQVVWYNYSA-N 1 0 414.575 3.335 20 0 HGADRO c1csc(COC[C@@H]2CC[C@H]3[C@@H]2OCCN3c2ccc(C[NH+]3CCCC3)cn2)n1 ZINC001164917584 721810854 /nfs/dbraw/zinc/81/08/54/721810854.db2.gz NOIKITURTLWLFV-CNNODRBYSA-N 1 0 414.575 3.335 20 0 HGADRO COCc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(SC)n1 ZINC001165026881 721811097 /nfs/dbraw/zinc/81/10/97/721811097.db2.gz SAPWQBJMRKXYIV-FFZOFVMBSA-N 1 0 413.591 3.477 20 0 HGADRO COC(=O)c1cc(F)c(C)nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165023583 721812395 /nfs/dbraw/zinc/81/23/95/721812395.db2.gz HYLJCIMQTFGXQR-LRQRDZAKSA-N 1 0 412.509 3.448 20 0 HGADRO CN(C)c1cc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165026860 721814080 /nfs/dbraw/zinc/81/40/80/721814080.db2.gz RUMHQRYCZMWCHB-CGTJXYLNSA-N 1 0 400.958 3.328 20 0 HGADRO CC(C)c1nc(N(C)C)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165024250 721816612 /nfs/dbraw/zinc/81/66/12/721816612.db2.gz KBUGMTBEPCBOIT-SXLOBPIMSA-N 1 0 409.582 3.193 20 0 HGADRO CCS(=O)(=O)c1ccnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165026099 721832179 /nfs/dbraw/zinc/83/21/79/721832179.db2.gz OEQHBUSWZLXTJG-IOMROCGXSA-N 1 0 414.575 3.007 20 0 HGADRO COc1cc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nc(SC)n1 ZINC001165023449 721840722 /nfs/dbraw/zinc/84/07/22/721840722.db2.gz XWNNKXOLKMKUIJ-UHFFFAOYSA-N 1 0 418.563 3.325 20 0 HGADRO COC(=O)c1cc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)ncc1C ZINC001165022052 721842221 /nfs/dbraw/zinc/84/22/21/721842221.db2.gz OGZVUVGSPNFWAV-UHFFFAOYSA-N 1 0 413.518 3.295 20 0 HGADRO Fc1ccccc1N1CCN(c2cc(N3CC[NH+](C4CCCC4)CC3)ncn2)CC1 ZINC001165031564 721860689 /nfs/dbraw/zinc/86/06/89/721860689.db2.gz CAYLHXWPXXHNSW-UHFFFAOYSA-N 1 0 410.541 3.007 20 0 HGADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1nc(Cl)c2cc(F)ccc2n1 ZINC001164931242 721861684 /nfs/dbraw/zinc/86/16/84/721861684.db2.gz UMPRLILEJGSBAB-CVEARBPZSA-N 1 0 413.875 3.182 20 0 HGADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1cnc(Cl)nc1Oc1ccc(F)cc1 ZINC001164935513 721880721 /nfs/dbraw/zinc/88/07/21/721880721.db2.gz XEZONICYRXHDGP-DLBZAZTESA-N 1 0 405.905 3.276 20 0 HGADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ccc(-c2ccc(N3CCCCC3)cc2)nn1 ZINC001164935138 721885697 /nfs/dbraw/zinc/88/56/97/721885697.db2.gz WNCABUMVKLEYPC-DNQXCXABSA-N 1 0 420.605 3.349 20 0 HGADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c12 ZINC001165038171 721917970 /nfs/dbraw/zinc/91/79/70/721917970.db2.gz KOUZGRNKPCXLBB-NRFANRHFSA-N 1 0 405.546 3.397 20 0 HGADRO 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ZINC001164968068 722072060 /nfs/dbraw/zinc/07/20/60/722072060.db2.gz ZYHVGOZIKDJHMY-HDICACEKSA-N 1 0 400.910 3.008 20 0 HGADRO CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]21 ZINC001164979130 722098040 /nfs/dbraw/zinc/09/80/40/722098040.db2.gz HDVWHBIWZCWJTF-QNWVGRARSA-N 1 0 405.546 3.223 20 0 HGADRO Clc1cccc2c1ncnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981602 722105953 /nfs/dbraw/zinc/10/59/53/722105953.db2.gz LTMDNGATOPXPNO-FXAWDEMLSA-N 1 0 409.921 3.406 20 0 HGADRO c1ccc(Oc2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164982317 722107445 /nfs/dbraw/zinc/10/74/45/722107445.db2.gz NMVFDZGZONEXKE-IFMALSPDSA-N 1 0 417.513 3.391 20 0 HGADRO c1ccc(Oc2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164982323 722107657 /nfs/dbraw/zinc/10/76/57/722107657.db2.gz NMVFDZGZONEXKE-UNMCSNQZSA-N 1 0 417.513 3.391 20 0 HGADRO Clc1cc2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2cn1 ZINC001164982180 722109558 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C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)nc3c(F)cccc31)CCC2 ZINC001165000019 722252812 /nfs/dbraw/zinc/25/28/12/722252812.db2.gz KLWQPENDWJYDNY-UHFFFAOYSA-N 1 0 418.904 3.107 20 0 HGADRO Cc1ccc2nc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c(Cl)nc2c1 ZINC001164999609 722252941 /nfs/dbraw/zinc/25/29/41/722252941.db2.gz FALFDNDPNMXFMK-UHFFFAOYSA-N 1 0 414.941 3.277 20 0 HGADRO Cc1c[nH]c2nc(Cl)cc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c12 ZINC001165002928 722255860 /nfs/dbraw/zinc/25/58/60/722255860.db2.gz XOQZIFWVSGCTOU-UHFFFAOYSA-N 1 0 402.930 3.210 20 0 HGADRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2ccc(OCCN3CCOCC3)c(Cl)c2)c1 ZINC000466910410 1126094024 /nfs/dbraw/zinc/09/40/24/1126094024.db2.gz GPAUSAGOMHXTNQ-NRFANRHFSA-N 1 0 418.965 3.053 20 0 HGADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cnc2c(C)cc(Br)cn12 ZINC001179278773 1126152329 /nfs/dbraw/zinc/15/23/29/1126152329.db2.gz ZVNRFRACIPPCSE-HXUWFJFHSA-N 1 0 418.335 3.497 20 0 HGADRO CCc1nn(C)c(CC)c1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC001206660711 1126159612 /nfs/dbraw/zinc/15/96/12/1126159612.db2.gz GQZHMQXLXPEBHF-HXUWFJFHSA-N 1 0 406.368 3.317 20 0 HGADRO CCOC(=O)c1cc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)[nH]c1C ZINC001308885337 1126168640 /nfs/dbraw/zinc/16/86/40/1126168640.db2.gz AAULEAYIXWKQQG-LJQANCHMSA-N 1 0 409.324 3.346 20 0 HGADRO COc1ccc2nc(C[NH2+][C@](C)(CO)Cc3ccc(OC)c(OC)c3)sc2c1 ZINC001461738535 1126197005 /nfs/dbraw/zinc/19/70/05/1126197005.db2.gz YORWQWAJLBPEFO-NRFANRHFSA-N 1 0 402.516 3.405 20 0 HGADRO O=c1c(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cccn1C(F)F ZINC001462427427 1126197622 /nfs/dbraw/zinc/19/76/22/1126197622.db2.gz IMZXNPTVDHOHBF-GOSISDBHSA-N 1 0 413.262 3.016 20 0 HGADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cnnn1-c1ccccc1 ZINC001560182443 1126208605 /nfs/dbraw/zinc/20/86/05/1126208605.db2.gz DWUWTZKMZMMLLJ-LJQANCHMSA-N 1 0 401.308 3.113 20 0 HGADRO COc1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cc(OC)c1O ZINC001560930898 1126214286 /nfs/dbraw/zinc/21/42/86/1126214286.db2.gz RRHOPGXVUUXYOV-HXUWFJFHSA-N 1 0 422.319 3.182 20 0 HGADRO COC1(c2nc(C3CCOCC3)no2)CC[NH+](C[C@H](O)c2cc(C)cc(C)c2)CC1 ZINC000583615844 560776258 /nfs/dbraw/zinc/77/62/58/560776258.db2.gz CLTNMLGHWLTRAA-FQEVSTJZSA-N 1 0 415.534 3.252 20 0 HGADRO COc1ccc2nc(C)c(C(=O)NCc3ccc(N4CCC[N@H+](C)CC4)nc3)cc2c1 ZINC000040152047 571199754 /nfs/dbraw/zinc/19/97/54/571199754.db2.gz GNJNVVQKRIKYSJ-UHFFFAOYSA-N 1 0 419.529 3.019 20 0 HGADRO FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001164389370 718825260 /nfs/dbraw/zinc/82/52/60/718825260.db2.gz HZNDTRQILVSFPR-ROUUACIJSA-N 1 0 409.864 3.426 20 0 HGADRO CCOC(=O)c1cnc(C(F)(F)N2CCCC[C@@H]2C2CC[NH2+]CC2)nc1Cl ZINC001164417279 718891553 /nfs/dbraw/zinc/89/15/53/718891553.db2.gz IWPQMUUUKJEELG-CQSZACIVSA-N 1 0 402.873 3.210 20 0 HGADRO CCOC(=O)[C@]12CCO[C@H]1CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164432022 718974138 /nfs/dbraw/zinc/97/41/38/718974138.db2.gz DUCBTJSQKPIJRF-DHLKQENFSA-N 1 0 421.541 3.188 20 0 HGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc(Cl)nc1)C2 ZINC001164619359 719006601 /nfs/dbraw/zinc/00/66/01/719006601.db2.gz VVZISFSXBPZVGZ-DNVCBOLYSA-N 1 0 413.896 3.429 20 0 HGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccnc(Cl)c1)C2 ZINC001164615601 719006870 /nfs/dbraw/zinc/00/68/70/719006870.db2.gz JCMBFCCMNAEJCK-KXBFYZLASA-N 1 0 413.896 3.429 20 0 HGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(Cl)nc(-c2ccccc2)n1 ZINC001164617775 719016177 /nfs/dbraw/zinc/01/61/77/719016177.db2.gz PHXRSAFFYLGQQX-QLFBSQMISA-N 1 0 422.863 3.072 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4ccc(OCC)cc43)CC2)CC1 ZINC001164617984 719028075 /nfs/dbraw/zinc/02/80/75/719028075.db2.gz TYGNVDURJGKMNP-UHFFFAOYSA-N 1 0 412.534 3.272 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4cc(F)c(OC)cc43)CC2)CC1 ZINC001164617990 719029279 /nfs/dbraw/zinc/02/92/79/719029279.db2.gz UDFUZVRJBREBEP-UHFFFAOYSA-N 1 0 416.497 3.021 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(-c4ccccn4)nc(C)c3C)CC2)CC1 ZINC001164618683 719033383 /nfs/dbraw/zinc/03/33/83/719033383.db2.gz YHLVOJKIVMSEBA-UHFFFAOYSA-N 1 0 423.561 3.399 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3cncc(OCC4CCCC4)n3)CC2)CC1 ZINC001164617604 719034587 /nfs/dbraw/zinc/03/45/87/719034587.db2.gz MVPSBBXSXDPZHW-UHFFFAOYSA-N 1 0 416.566 3.290 20 0 HGADRO CCCSc1ncnc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)c1OC ZINC001164617938 719035334 /nfs/dbraw/zinc/03/53/34/719035334.db2.gz PTFAVXJLKGEWNK-UHFFFAOYSA-N 1 0 422.595 3.231 20 0 HGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4c(C)cc(OC)cc43)CC2)CC1 ZINC001164617168 719035918 /nfs/dbraw/zinc/03/59/18/719035918.db2.gz IREJHQUHSNUUDO-UHFFFAOYSA-N 1 0 412.534 3.191 20 0 HGADRO CCOC(=O)c1cc(Cl)nnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629652 719066777 /nfs/dbraw/zinc/06/67/77/719066777.db2.gz YKQPSIOHIPGYGL-WMZOPIPTSA-N 1 0 400.910 3.408 20 0 HGADRO CCOC(=O)Cc1c(Cl)ncnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164623600 719079655 /nfs/dbraw/zinc/07/96/55/719079655.db2.gz JWPLDNVHRDBNBA-HKUYNNGSSA-N 1 0 414.937 3.336 20 0 HGADRO 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ZINC001164685057 719701522 /nfs/dbraw/zinc/70/15/22/719701522.db2.gz QKNVFOXHZNBJNY-UHFFFAOYSA-N 1 0 423.895 3.009 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc3ccc(Cl)cc3nc1Cl)CC2 ZINC001164683546 719712503 /nfs/dbraw/zinc/71/25/03/719712503.db2.gz KYAYXHFCNIPQBC-UHFFFAOYSA-N 1 0 408.333 3.117 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(SC)cnc1Cl)CC2 ZINC001164687495 719737521 /nfs/dbraw/zinc/73/75/21/719737521.db2.gz YHLWGFQFIFRAFN-UHFFFAOYSA-N 1 0 418.941 3.183 20 0 HGADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)Sc1ccc(Cl)nc1)CC2 ZINC001164690018 719754912 /nfs/dbraw/zinc/75/49/12/719754912.db2.gz OWSBBWYLARVTCU-UHFFFAOYSA-N 1 0 404.914 3.054 20 0 HGADRO CCOC(=O)c1cnc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)cn1 ZINC001164693092 719807909 /nfs/dbraw/zinc/80/79/09/719807909.db2.gz PXSLKVUDDWKKEH-UHFFFAOYSA-N 1 0 401.536 3.053 20 0 HGADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc4c2C(C)(C)C(=O)N4)CC3)cs1 ZINC001164693818 719812423 /nfs/dbraw/zinc/81/24/23/719812423.db2.gz YUWDZHHUOIFKGM-UHFFFAOYSA-N 1 0 412.563 3.106 20 0 HGADRO Clc1nc2c(c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)n1)COC2 ZINC001164695699 719889614 /nfs/dbraw/zinc/88/96/14/719889614.db2.gz ROLVUNWQQPIOJW-UHFFFAOYSA-N 1 0 406.939 3.093 20 0 HGADRO CCOc1nc(Cl)cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164695040 719889807 /nfs/dbraw/zinc/88/98/07/719889807.db2.gz JPPWRBURBNJVHD-UHFFFAOYSA-N 1 0 408.955 3.462 20 0 HGADRO COC(=O)c1ccc(Cl)c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164699024 719893423 /nfs/dbraw/zinc/89/34/23/719893423.db2.gz VQYUWKLIXWTOAI-UHFFFAOYSA-N 1 0 421.950 3.455 20 0 HGADRO F[C@@H](Oc1cncc(Cl)n1)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164707351 719903709 /nfs/dbraw/zinc/90/37/09/719903709.db2.gz QDPOEZVPUDQWOZ-QGZVFWFLSA-N 1 0 412.918 3.190 20 0 HGADRO CCOC(=O)Cc1ccnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164706340 719906346 /nfs/dbraw/zinc/90/63/46/719906346.db2.gz ICLYNUSBDAWYPF-UHFFFAOYSA-N 1 0 415.559 3.120 20 0 HGADRO CCO[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)[C@H]2CCCO[C@H]12 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COc1ccc2nc(Cl)nc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2c1 ZINC001164734187 720549728 /nfs/dbraw/zinc/54/97/28/720549728.db2.gz XWFPDIYYMNLETH-UHFFFAOYSA-N 1 0 412.925 3.147 20 0 HGADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164733733 720550685 /nfs/dbraw/zinc/55/06/85/720550685.db2.gz QOMKJXLMRQSYRQ-UHFFFAOYSA-N 1 0 417.941 3.075 20 0 HGADRO COc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ncc2c1 ZINC001164836403 720550751 /nfs/dbraw/zinc/55/07/51/720550751.db2.gz JYYXVOAQRPWTIF-CNNODRBYSA-N 1 0 406.534 3.213 20 0 HGADRO COCc1cc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc(-c2ccccc2)n1 ZINC001164733316 720552967 /nfs/dbraw/zinc/55/29/67/720552967.db2.gz LEQYLQJEUSGGNI-UHFFFAOYSA-N 1 0 418.545 3.145 20 0 HGADRO FC(F)(c1nc(Cl)ncc1Cl)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164734127 720555411 /nfs/dbraw/zinc/55/54/11/720555411.db2.gz VOGCZJCUFCWZQM-UHFFFAOYSA-N 1 0 417.291 3.183 20 0 HGADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1nccc(-c3c[nH]c4ccccc43)n1)CC2 ZINC001164729641 720563659 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C[NH+]1CCN(Cc2cn3c(n2)CN(c2c(Cl)ncc(Cl)c2Cl)CC3)CC1 ZINC001164798232 721514622 /nfs/dbraw/zinc/51/46/22/721514622.db2.gz PTDQMZJVFCOCDI-UHFFFAOYSA-N 1 0 415.756 3.006 20 0 HGADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)nc5ncsc54)CC[N@@H+]3C2)c1 ZINC001164908612 721535784 /nfs/dbraw/zinc/53/57/84/721535784.db2.gz PUODREVGXFWMMC-OCCSQVGLSA-N 1 0 405.886 3.221 20 0 HGADRO CCOC(=O)/C=C\c1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164907330 721543080 /nfs/dbraw/zinc/54/30/80/721543080.db2.gz MYCYVWHPCNUXGM-VRBGDJKOSA-N 1 0 411.477 3.139 20 0 HGADRO COc1cc2c(cc1F)ncnc2N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903007 721544233 /nfs/dbraw/zinc/54/42/33/721544233.db2.gz BREFVRDQUUDLGG-RDJZCZTQSA-N 1 0 412.440 3.259 20 0 HGADRO COc1ccc2nc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c(C)nc2c1 ZINC001164910344 721558143 /nfs/dbraw/zinc/55/81/43/721558143.db2.gz WJHBFNMACODGLV-PXNSSMCTSA-N 1 0 408.477 3.428 20 0 HGADRO COc1ccc2nc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c(C)nc2c1 ZINC001164910348 721558485 /nfs/dbraw/zinc/55/84/85/721558485.db2.gz WJHBFNMACODGLV-YLJYHZDGSA-N 1 0 408.477 3.428 20 0 HGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncc(Cl)nc2-c2ccccc2)CC1 ZINC001165010522 721746724 /nfs/dbraw/zinc/74/67/24/721746724.db2.gz NXVLPOMZXPYGTD-UHFFFAOYSA-N 1 0 413.953 3.320 20 0 HGADRO Cc1cnc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nc1-c1ccccc1F ZINC001165012839 721749679 /nfs/dbraw/zinc/74/96/79/721749679.db2.gz OOSITRRSEVZZAW-UHFFFAOYSA-N 1 0 411.525 3.114 20 0 HGADRO Cc1cc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C(N)=O ZINC001165024681 721801755 /nfs/dbraw/zinc/80/17/55/721801755.db2.gz MRIGYDCUUOKQAZ-CGTJXYLNSA-N 1 0 413.953 3.274 20 0 HGADRO CCOC(=O)Cc1cccnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165017754 721804412 /nfs/dbraw/zinc/80/44/12/721804412.db2.gz AJXLKUSGHGNSEI-BVSLBCMMSA-N 1 0 408.546 3.319 20 0 HGADRO c1csc(COC[C@H]2CC[C@@H]3[C@@H]2OCCN3c2ncccc2C[NH+]2CCCC2)n1 ZINC001164919457 721811493 /nfs/dbraw/zinc/81/14/93/721811493.db2.gz XYCDJGKOWHXZOY-SFHLNBCPSA-N 1 0 414.575 3.335 20 0 HGADRO CCOC(=O)Cc1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1 ZINC001165026239 721812729 /nfs/dbraw/zinc/81/27/29/721812729.db2.gz POVUMDWPJYGLKG-KSEOMHKRSA-N 1 0 408.546 3.319 20 0 HGADRO COC(=O)c1nc(Cl)cnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165028984 721813493 /nfs/dbraw/zinc/81/34/93/721813493.db2.gz YJSXHGHXPIKXRN-USXIJHARSA-N 1 0 415.925 3.049 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH]c4cc(=O)[nH]c-4cc3Cl)C[C@H]21 ZINC001165022725 721813903 /nfs/dbraw/zinc/81/39/03/721813903.db2.gz GWBKJKNKYLBXIH-YYFZDKIDSA-N 1 0 411.937 3.362 20 0 HGADRO CCOC(=O)c1ncnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001165023606 721814868 /nfs/dbraw/zinc/81/48/68/721814868.db2.gz IJXVQSQFSBSZSE-DFQSSKMNSA-N 1 0 409.534 3.094 20 0 HGADRO CCCNC(=O)c1cccnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165023267 721823418 /nfs/dbraw/zinc/82/34/18/721823418.db2.gz IMXAZXIJSKTLAU-BWAGFHJFSA-N 1 0 407.562 3.353 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3ncn4C3CC3)C[C@H]21 ZINC001165024437 721825134 /nfs/dbraw/zinc/82/51/34/721825134.db2.gz JVRSQVFZMPNRPB-NSISKUIASA-N 1 0 403.534 3.293 20 0 HGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(N4CCSCC4)ncn3)C[C@@H]21 ZINC001165025657 721828295 /nfs/dbraw/zinc/82/82/95/721828295.db2.gz NFDIDNQRUIJKDH-SESVDKBCSA-N 1 0 424.618 3.162 20 0 HGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2c(Cl)nncc2OC)CC1 ZINC001165023557 721840745 /nfs/dbraw/zinc/84/07/45/721840745.db2.gz ZUFGCXQWFGVJTP-UHFFFAOYSA-N 1 0 406.914 3.257 20 0 HGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3c2ncn3C2CC2)CC1 ZINC001165021225 721843886 /nfs/dbraw/zinc/84/38/86/721843886.db2.gz INLXHDIYNOOOML-UHFFFAOYSA-N 1 0 422.533 3.279 20 0 HGADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1cnc(Cl)nc1Oc1ccc(F)cc1 ZINC001164935516 721880406 /nfs/dbraw/zinc/88/04/06/721880406.db2.gz XEZONICYRXHDGP-SJORKVTESA-N 1 0 405.905 3.276 20 0 HGADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CCC([NH+](CC)CC)CC3)nc2N1C1CCCC1 ZINC001165053471 722002913 /nfs/dbraw/zinc/00/29/13/722002913.db2.gz NLGCUYHWCNUSNP-LJQANCHMSA-N 1 0 414.598 3.291 20 0 HGADRO CCOC(=O)c1cnc(Cl)nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164954876 722012797 /nfs/dbraw/zinc/01/27/97/722012797.db2.gz QCDNOTAHMRBSGH-UHFFFAOYSA-N 1 0 415.925 3.194 20 0 HGADRO COc1cc(Cl)cnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164961155 722053319 /nfs/dbraw/zinc/05/33/19/722053319.db2.gz SPUUKTCZCFHQRP-UHFFFAOYSA-N 1 0 402.926 3.258 20 0 HGADRO Cc1ccc2ncnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2c1 ZINC001164960490 722053875 /nfs/dbraw/zinc/05/38/75/722053875.db2.gz PMCOUEGDGNEVCV-UHFFFAOYSA-N 1 0 403.530 3.452 20 0 HGADRO COc1nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)ccc1Cl ZINC001164960013 722058170 /nfs/dbraw/zinc/05/81/70/722058170.db2.gz CRLJQUFFNVDZSI-UHFFFAOYSA-N 1 0 402.926 3.258 20 0 HGADRO CC(C)COc1cncc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164960687 722060294 /nfs/dbraw/zinc/06/02/94/722060294.db2.gz HPKTYHTYFOWMNS-UHFFFAOYSA-N 1 0 411.550 3.025 20 0 HGADRO Clc1cccc(COc2cncc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)n2)c1 ZINC001164968095 722077391 /nfs/dbraw/zinc/07/73/91/722077391.db2.gz QFHNMWRWLRDRAF-KDURUIRLSA-N 1 0 400.910 3.008 20 0 HGADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCO[C@]3(CCCN(C(C)=O)C3)C2)nc1 ZINC001164969094 722084190 /nfs/dbraw/zinc/08/41/90/722084190.db2.gz JVEZIXNXELHDBM-GMAHTHKFSA-N 1 0 400.567 3.236 20 0 HGADRO CC(C)(c1ccnc(Cl)c1)[N@H+]1C[C@H]2c3ccccc3N(S(C)(=O)=O)C[C@@H]2C1 ZINC001164975051 722091017 /nfs/dbraw/zinc/09/10/17/722091017.db2.gz QCMLIWHDHQQKHZ-WMLDXEAASA-N 1 0 405.951 3.465 20 0 HGADRO c1ccc(-c2nccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164984719 722104663 /nfs/dbraw/zinc/10/46/63/722104663.db2.gz UEBFQJKJTJFHRQ-FGZHOGPDSA-N 1 0 401.514 3.266 20 0 HGADRO Clc1cccc2ncc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc12 ZINC001164983500 722106525 /nfs/dbraw/zinc/10/65/25/722106525.db2.gz QNJNVRYHKZSXRX-FXAWDEMLSA-N 1 0 409.921 3.406 20 0 HGADRO FC(F)(Oc1cccnc1Cl)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164986647 722106965 /nfs/dbraw/zinc/10/69/65/722106965.db2.gz ZYSVZHBNYWUGSX-FUHWJXTLSA-N 1 0 424.879 3.282 20 0 HGADRO CSc1nc2ccccc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164980575 722123038 /nfs/dbraw/zinc/12/30/38/722123038.db2.gz RWFXNBCZRWHGTK-GHTZIAJQSA-N 1 0 421.570 3.474 20 0 HGADRO CCOc1ccc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981171 722124894 /nfs/dbraw/zinc/12/48/94/722124894.db2.gz UADDAZHNWPJOSI-PKOBYXMFSA-N 1 0 402.926 3.256 20 0 HGADRO Fc1cccc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)c1 ZINC001164985004 722147192 /nfs/dbraw/zinc/14/71/92/722147192.db2.gz YTHHGKZPGLHLBO-NZQKXSOJSA-N 1 0 419.504 3.405 20 0 HGADRO c1ccc(Oc2nccnc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164985062 722150426 /nfs/dbraw/zinc/15/04/26/722150426.db2.gz ZBHOIRAUXMTCAV-IFMALSPDSA-N 1 0 417.513 3.391 20 0 HGADRO Clc1nc2c(nc1N1CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C1)CCCC2 ZINC001164975278 722157461 /nfs/dbraw/zinc/15/74/61/722157461.db2.gz QUKISTNIOSXOIB-PXNSSMCTSA-N 1 0 413.953 3.131 20 0 HGADRO CCNC(=O)c1cc(Cl)nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164998485 722213765 /nfs/dbraw/zinc/21/37/65/722213765.db2.gz VZQDGOAXNXXSAR-NRFANRHFSA-N 1 0 417.916 3.264 20 0 HGADRO C[N@H+](Cc1ccc(N2CC[C@@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)nc1)C1CC1 ZINC001164996874 722220302 /nfs/dbraw/zinc/22/03/02/722220302.db2.gz BFRVDTUTVFGLKN-XMMPIXPASA-N 1 0 420.513 3.038 20 0 HGADRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cccc(I)c1 ZINC000551536772 1126096957 /nfs/dbraw/zinc/09/69/57/1126096957.db2.gz VDZIMMJJAYWNLS-MRXNPFEDSA-N 1 0 406.267 3.466 20 0 HGADRO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+][C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000776175686 1126109355 /nfs/dbraw/zinc/10/93/55/1126109355.db2.gz QIEBZQPWLKXQMR-LJQANCHMSA-N 1 0 418.497 3.224 20 0 HGADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(C(=O)OCc3ccccc3)[nH]2)cc1 ZINC001183683912 1126153357 /nfs/dbraw/zinc/15/33/57/1126153357.db2.gz DOLSVBFPQMKOCR-DEOSSOPVSA-N 1 0 408.498 3.464 20 0 HGADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(C(=O)OC(C)C)cc2)cc1OC ZINC001198230394 1126155878 /nfs/dbraw/zinc/15/58/78/1126155878.db2.gz QGCTXQPQXQHCQY-HSZRJFAPSA-N 1 0 401.503 3.352 20 0 HGADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nc(N)c2ccccc2n1 ZINC001460868573 1126193106 /nfs/dbraw/zinc/19/31/06/1126193106.db2.gz LUMHXHUYIYMVAC-LJQANCHMSA-N 1 0 401.308 3.058 20 0 HGADRO Nc1nc(Br)ccc1C[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC001460692625 1126191752 /nfs/dbraw/zinc/19/17/52/1126191752.db2.gz JQSJRXNHIKKEOF-OCCSQVGLSA-N 1 0 404.230 3.050 20 0 HGADRO COC(=O)c1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(F)cc2)c(Br)c1 ZINC001462473069 1126197552 /nfs/dbraw/zinc/19/75/52/1126197552.db2.gz MWMIYADKWPHPQK-LJQANCHMSA-N 1 0 410.283 3.458 20 0 HGADRO COC(=O)c1ccc(C[NH2+][C@](C)(CO)Cc2ccccc2OC)cc1Br ZINC001462474706 1126197572 /nfs/dbraw/zinc/19/75/72/1126197572.db2.gz PTPSOQCWKHPJQZ-FQEVSTJZSA-N 1 0 422.319 3.328 20 0 HGADRO COC(=O)c1cc(C[NH2+][C@@](C)(CO)Cc2ccc(OC)c(OC)c2)[nH]c1C(C)C ZINC001462568428 1126198071 /nfs/dbraw/zinc/19/80/71/1126198071.db2.gz XKOCWZVQPPOMCW-JOCHJYFZSA-N 1 0 404.507 3.025 20 0 HGADRO COC(=O)c1cc(C[NH2+][C@](C)(CO)Cc2ccc(OC)c(OC)c2)[nH]c1C(C)C ZINC001462568432 1126198142 /nfs/dbraw/zinc/19/81/42/1126198142.db2.gz XKOCWZVQPPOMCW-QFIPXVFZSA-N 1 0 404.507 3.025 20 0 HGADRO OC[C@]1([NH2+]Cc2ccc(-c3cc[nH]n3)o2)CCc2cc(Br)ccc2C1 ZINC001474209028 1126202721 /nfs/dbraw/zinc/20/27/21/1126202721.db2.gz ZAGRDZRAWCIWBY-IBGZPJMESA-N 1 0 402.292 3.442 20 0 HGADRO CCOC(=O)Cn1cc(C[NH2+][C@@H](CO)Cc2ccccc2C)c(-c2ccccc2)n1 ZINC001474448423 1126204489 /nfs/dbraw/zinc/20/44/89/1126204489.db2.gz GJDAQVGTPCBTIP-JOCHJYFZSA-N 1 0 407.514 3.115 20 0 HGADRO Cn1cc(-c2nc(C[NH2+][C@](C)(CO)Cc3ccc(Br)cc3)cs2)cn1 ZINC001560182925 1126208757 /nfs/dbraw/zinc/20/87/57/1126208757.db2.gz JTEIFQXGLMTWCA-SFHVURJKSA-N 1 0 421.364 3.389 20 0 HGADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC001560548593 1126212792 /nfs/dbraw/zinc/21/27/92/1126212792.db2.gz UJMIROBFRLRTKQ-DEOSSOPVSA-N 1 0 408.498 3.464 20 0 HGADRO COC1(c2nc(CC(F)(F)F)no2)CC[NH+](Cc2ccc(OC(C)=O)cc2)CC1 ZINC000225839480 568782907 /nfs/dbraw/zinc/78/29/07/568782907.db2.gz YKORULRRXHDAMD-UHFFFAOYSA-N 1 0 413.396 3.237 20 0 HGADRO